| 1 |
COMPND MYOGLOBIN (OXY, $P*H 8.4) |
| 2 |
ATOM 1 N LYS 50 28.212 22.648 -12.709 7.00 14.35 0 |
| 3 |
ATOM 2 CA LYS 50 27.691 21.580 -13.604 6.00 19.29 0 |
| 4 |
ATOM 3 C LYS 50 28.035 20.173 -13.076 6.00 16.42 0 |
| 5 |
ATOM 4 O LYS 50 27.157 19.296 -13.036 8.00 25.53 0 |
| 6 |
ATOM 5 CB LYS 50 28.298 21.745 -14.972 6.00 17.30 0 |
| 7 |
ATOM 6 CG LYS 50 28.381 23.181 -15.476 6.00 36.14 0 |
| 8 |
ATOM 7 CD LYS 50 28.985 23.181 -16.863 6.00 51.63 0 |
| 9 |
ATOM 8 CE LYS 50 28.911 24.542 -17.523 6.00 33.92 0 |
| 10 |
ATOM 9 NZ LYS 50 29.632 24.454 -18.805 7.00 50.81 0 |
| 11 |
ATOM 10 N THR 51 29.185 20.025 -12.493 7.00 8.40 0 |
| 12 |
ATOM 11 CA THR 51 29.610 18.709 -12.036 6.00 6.66 0 |
| 13 |
ATOM 12 C THR 51 29.568 18.592 -10.533 6.00 6.67 0 |
| 14 |
ATOM 13 O THR 51 29.525 19.589 -9.825 8.00 8.09 0 |
| 15 |
ATOM 14 CB THR 51 30.985 18.430 -12.523 6.00 9.29 0 |
| 16 |
ATOM 15 OG1 THR 51 31.990 19.176 -11.775 8.00 9.84 0 |
| 17 |
ATOM 16 CG2 THR 51 31.125 18.654 -14.009 6.00 12.07 0 |
| 18 |
ATOM 17 N GLU 52 29.494 17.374 -10.065 7.00 8.70 0 |
| 19 |
ATOM 18 CA GLU 52 29.513 17.144 -8.620 6.00 8.74 0 |
| 20 |
ATOM 19 C GLU 52 30.788 17.718 -7.937 6.00 9.66 0 |
| 21 |
ATOM 20 O GLU 52 30.688 18.292 -6.841 8.00 8.30 0 |
| 22 |
ATOM 21 CB GLU 52 29.332 15.631 -8.330 6.00 11.14 0 |
| 23 |
ATOM 22 CG GLU 52 29.236 15.405 -6.849 6.00 14.89 0 |
| 24 |
ATOM 23 CD GLU 52 28.771 13.994 -6.464 6.00 13.01 0 |
| 25 |
ATOM 24 OE1 GLU 52 28.871 13.762 -5.248 8.00 14.11 0 |
| 26 |
ATOM 25 OE2 GLU 52 28.890 13.125 -7.336 8.00 20.72 0 |
| 27 |
ATOM 26 N ALA 53 31.964 17.531 -8.589 7.00 10.40 0 |
| 28 |
ATOM 27 CA ALA 53 33.223 18.102 -8.037 6.00 4.00 0 |
| 29 |
ATOM 28 C ALA 53 33.122 19.600 -7.962 6.00 7.10 0 |
| 30 |
ATOM 29 O ALA 53 33.584 20.126 -6.965 8.00 11.45 0 |
| 31 |
ATOM 30 CB ALA 53 34.342 17.687 -8.999 6.00 15.20 0 |
| 32 |
ATOM 31 N GLU 54 32.598 20.260 -8.991 7.00 5.61 0 |
| 33 |
ATOM 32 CA GLU 54 32.441 21.706 -8.913 6.00 5.07 0 |
| 34 |
ATOM 33 C GLU 54 31.513 22.077 -7.753 6.00 10.40 0 |
| 35 |
ATOM 34 O GLU 54 31.813 22.982 -6.970 8.00 8.99 0 |
| 36 |
ATOM 35 CB GLU 54 31.870 22.300 -10.200 6.00 9.12 0 |
| 37 |
ATOM 36 CG GLU 54 32.913 22.330 -11.287 6.00 12.73 0 |
| 38 |
ATOM 37 CD GLU 54 32.235 22.589 -12.632 6.00 18.98 0 |
| 39 |
ATOM 38 OE1 GLU 54 33.023 22.556 -13.579 8.00 20.91 0 |
| 40 |
ATOM 39 OE2 GLU 54 30.978 22.689 -12.780 8.00 15.49 0 |
| 41 |
ATOM 40 N MET 55 30.384 21.315 -7.576 7.00 7.31 0 |
| 42 |
ATOM 41 CA MET 55 29.566 21.618 -6.428 6.00 4.00 0 |
| 43 |
ATOM 42 C MET 55 30.259 21.497 -5.079 6.00 7.63 0 |
| 44 |
ATOM 43 O MET 55 30.086 22.268 -4.135 8.00 8.35 0 |
| 45 |
ATOM 44 CB MET 55 28.367 20.632 -6.467 6.00 9.14 0 |
| 46 |
ATOM 45 CG MET 55 27.470 21.043 -7.610 6.00 10.47 0 |
| 47 |
ATOM 46 SD MET 55 26.095 19.820 -7.741 16.00 12.55 0 |
| 48 |
ATOM 47 CE MET 55 25.560 20.191 -9.398 6.00 24.17 0 |
| 49 |
ATOM 48 N LYS 56 31.019 20.402 -4.936 7.00 7.75 0 |
| 50 |
ATOM 49 CA LYS 56 31.782 20.175 -3.701 6.00 10.90 0 |
| 51 |
ATOM 50 C LYS 56 32.838 21.238 -3.404 6.00 10.06 0 |
| 52 |
ATOM 51 O LYS 56 33.152 21.429 -2.227 8.00 14.23 0 |
| 53 |
ATOM 52 CB LYS 56 32.507 18.862 -3.812 6.00 17.44 0 |
| 54 |
ATOM 53 CG LYS 56 31.457 17.759 -3.787 6.00 23.76 0 |
| 55 |
ATOM 54 CD LYS 56 31.593 16.874 -2.585 6.00 39.38 0 |
| 56 |
ATOM 55 CE LYS 56 31.853 15.458 -3.033 6.00 36.39 0 |
| 57 |
ATOM 56 NZ LYS 56 30.576 14.748 -3.280 7.00 42.48 0 |
| 58 |
ATOM 57 N ALA 57 33.425 21.832 -4.471 7.00 6.61 0 |
| 59 |
ATOM 58 CA ALA 57 34.457 22.835 -4.257 6.00 9.90 0 |
| 60 |
ATOM 59 C ALA 57 33.891 24.198 -3.906 6.00 11.03 0 |
| 61 |
ATOM 60 O ALA 57 34.667 25.075 -3.576 8.00 9.81 0 |
| 62 |
ATOM 61 CB ALA 57 35.262 22.918 -5.546 6.00 10.54 0 |
| 63 |
ATOM 62 N SER 58 32.564 24.447 -4.123 7.00 6.95 0 |
| 64 |
ATOM 63 CA SER 58 32.060 25.807 -3.905 6.00 5.56 0 |
| 65 |
ATOM 64 C SER 58 31.819 26.111 -2.420 6.00 6.51 0 |
| 66 |
ATOM 65 O SER 58 31.040 25.475 -1.687 8.00 10.15 0 |
| 67 |
ATOM 66 CB SER 58 30.754 25.956 -4.648 6.00 12.36 0 |
| 68 |
ATOM 67 OG SER 58 30.086 27.212 -4.395 8.00 10.14 0 |
| 69 |
ATOM 68 N GLU 59 32.546 27.152 -2.023 7.00 8.77 0 |
| 70 |
ATOM 69 CA GLU 59 32.422 27.614 -0.645 6.00 7.30 0 |
| 71 |
ATOM 70 C GLU 59 31.024 28.236 -0.448 6.00 9.38 0 |
| 72 |
ATOM 71 O GLU 59 30.443 28.160 0.626 8.00 8.13 0 |
| 73 |
ATOM 72 CB GLU 59 33.594 28.553 -0.268 6.00 11.09 0 |
| 74 |
ATOM 73 CG GLU 59 33.700 28.839 1.250 6.00 13.84 0 |
| 75 |
ATOM 74 CD GLU 59 34.001 27.595 2.123 6.00 15.77 0 |
| 76 |
ATOM 75 OE1 GLU 59 33.793 27.694 3.339 8.00 16.26 0 |
| 77 |
ATOM 76 OE2 GLU 59 34.273 26.517 1.591 8.00 12.94 0 |
| 78 |
ATOM 77 N ASP 60 30.595 28.964 -1.424 7.00 7.52 0 |
| 79 |
ATOM 78 CA ASP 60 29.291 29.665 -1.342 6.00 7.45 0 |
| 80 |
ATOM 79 C ASP 60 28.167 28.629 -1.134 6.00 6.94 0 |
| 81 |
ATOM 80 O ASP 60 27.165 28.902 -0.475 8.00 11.99 0 |
| 82 |
ATOM 81 CB ASP 60 29.093 30.573 -2.567 6.00 5.09 0 |
| 83 |
ATOM 82 CG ASP 60 28.013 31.622 -2.269 6.00 11.85 0 |
| 84 |
ATOM 83 OD1 ASP 60 27.164 31.694 -3.152 8.00 10.68 0 |
| 85 |
ATOM 84 OD2 ASP 60 28.105 32.339 -1.221 8.00 11.83 0 |
| 86 |
ATOM 85 N LEU 61 28.240 27.553 -1.858 7.00 6.31 0 |
| 87 |
ATOM 86 CA LEU 61 27.208 26.500 -1.753 6.00 7.69 0 |
| 88 |
ATOM 87 C LEU 61 27.194 25.958 -0.319 6.00 9.96 0 |
| 89 |
ATOM 88 O LEU 61 26.128 25.698 0.269 8.00 7.39 0 |
| 90 |
ATOM 89 CB LEU 61 27.476 25.394 -2.773 6.00 7.03 0 |
| 91 |
ATOM 90 CG LEU 61 26.380 24.314 -2.876 6.00 6.82 0 |
| 92 |
ATOM 91 CD1 LEU 61 24.997 24.933 -3.043 6.00 20.54 0 |
| 93 |
ATOM 92 CD2 LEU 61 26.573 23.385 -4.078 6.00 15.16 0 |
| 94 |
ATOM 93 N LYS 62 28.418 25.711 0.200 7.00 7.65 0 |
| 95 |
ATOM 94 CA LYS 62 28.495 25.225 1.563 6.00 10.32 0 |
| 96 |
ATOM 95 C LYS 62 27.903 26.260 2.531 6.00 8.64 0 |
| 97 |
ATOM 96 O LYS 62 27.269 25.862 3.513 8.00 11.59 0 |
| 98 |
ATOM 97 CB LYS 62 30.018 24.937 1.858 6.00 10.05 0 |
| 99 |
ATOM 98 CG LYS 62 30.319 24.362 3.195 6.00 13.40 0 |
| 100 |
ATOM 99 CD LYS 62 31.826 23.985 3.130 6.00 17.92 0 |
| 101 |
ATOM 100 CE LYS 62 32.116 23.239 4.402 6.00 24.35 0 |
| 102 |
ATOM 101 NZ LYS 62 33.526 22.863 4.343 7.00 28.34 0 |
| 103 |
ATOM 102 N LYS 63 28.082 27.503 2.260 7.00 7.09 0 |
| 104 |
ATOM 103 CA LYS 63 27.502 28.558 3.111 6.00 8.52 0 |
| 105 |
ATOM 104 C LYS 63 25.979 28.567 3.084 6.00 10.34 0 |
| 106 |
ATOM 105 O LYS 63 25.386 28.696 4.148 8.00 9.76 0 |
| 107 |
ATOM 106 CB LYS 63 28.093 29.855 2.589 6.00 9.60 0 |
| 108 |
ATOM 107 CG LYS 63 27.798 31.142 3.304 6.00 27.02 0 |
| 109 |
ATOM 108 CD LYS 63 29.149 31.948 3.141 6.00 29.76 0 |
| 110 |
ATOM 109 CE LYS 63 29.039 33.418 3.547 6.00 35.88 0 |
| 111 |
ATOM 110 NZ LYS 63 29.659 34.254 2.485 7.00 23.92 0 |
| 112 |
ATOM 111 N HIS 64 25.399 28.269 1.918 7.00 8.69 0 |
| 113 |
ATOM 112 CA HIS 64 23.926 28.344 1.819 6.00 9.94 0 |
| 114 |
ATOM 113 C HIS 64 23.414 27.045 2.444 6.00 14.22 0 |
| 115 |
ATOM 114 O HIS 64 22.418 27.063 3.155 8.00 10.22 0 |
| 116 |
ATOM 115 CB HIS 64 23.538 28.369 0.354 6.00 11.20 0 |
| 117 |
ATOM 116 CG HIS 64 22.015 28.385 0.281 6.00 8.65 0 |
| 118 |
ATOM 117 ND1 HIS 64 21.314 29.427 0.797 7.00 11.63 0 |
| 119 |
ATOM 118 CD2 HIS 64 21.166 27.427 -0.221 6.00 20.54 0 |
| 120 |
ATOM 119 CE1 HIS 64 19.944 29.070 0.589 6.00 11.64 0 |
| 121 |
ATOM 120 NE2 HIS 64 19.851 27.889 -0.014 7.00 18.90 0 |
| 122 |
ATOM 121 N GLY 65 24.208 25.953 2.389 7.00 9.49 0 |
| 123 |
ATOM 122 CA GLY 65 23.766 24.725 3.095 6.00 6.43 0 |
| 124 |
ATOM 123 C GLY 65 23.670 24.902 4.636 6.00 11.14 0 |
| 125 |
ATOM 124 O GLY 65 22.712 24.527 5.332 8.00 7.54 0 |
| 126 |
ATOM 125 N VAL 66 24.571 25.657 5.175 7.00 7.53 0 |
| 127 |
ATOM 126 CA VAL 66 24.454 26.113 6.580 6.00 6.28 0 |
| 128 |
ATOM 127 C VAL 66 23.189 26.978 6.848 6.00 5.34 0 |
| 129 |
ATOM 128 O VAL 66 22.528 26.738 7.896 8.00 7.59 0 |
| 130 |
ATOM 129 CB VAL 66 25.752 26.793 7.040 6.00 11.93 0 |
| 131 |
ATOM 130 CG1 VAL 66 25.607 27.341 8.463 6.00 12.74 0 |
| 132 |
ATOM 131 CG2 VAL 66 26.966 25.849 6.916 6.00 13.20 0 |
| 133 |
ATOM 132 N THR 67 22.914 27.943 5.960 7.00 4.00 0 |
| 134 |
ATOM 133 CA THR 67 21.690 28.787 6.092 6.00 4.00 0 |
| 135 |
ATOM 134 C THR 67 20.473 27.863 6.222 6.00 7.86 0 |
| 136 |
ATOM 135 O THR 67 19.601 28.125 7.062 8.00 9.83 0 |
| 137 |
ATOM 136 CB THR 67 21.587 29.684 4.890 6.00 8.60 0 |
| 138 |
ATOM 137 OG1 THR 67 22.660 30.661 5.044 8.00 15.12 0 |
| 139 |
ATOM 138 CG2 THR 67 20.243 30.453 4.865 6.00 14.41 0 |
| 140 |
ATOM 139 N VAL 68 20.361 26.959 5.270 7.00 7.51 0 |
| 141 |
ATOM 140 CA VAL 68 19.188 26.058 5.182 6.00 4.00 0 |
| 142 |
ATOM 141 C VAL 68 19.080 25.254 6.426 6.00 4.00 0 |
| 143 |
ATOM 142 O VAL 68 18.025 25.202 7.048 8.00 7.63 0 |
| 144 |
ATOM 143 CB VAL 68 19.224 25.236 3.957 6.00 7.21 0 |
| 145 |
ATOM 144 CG1 VAL 68 18.103 24.174 3.941 6.00 10.93 0 |
| 146 |
ATOM 145 CG2 VAL 68 19.177 26.089 2.738 6.00 9.91 0 |
| 147 |
ATOM 146 N LEU 69 20.123 24.556 6.834 7.00 9.34 0 |
| 148 |
ATOM 147 CA LEU 69 20.056 23.647 8.000 6.00 4.39 0 |
| 149 |
ATOM 148 C LEU 69 19.772 24.391 9.298 6.00 6.62 0 |
| 150 |
ATOM 149 O LEU 69 19.147 23.832 10.214 8.00 11.69 0 |
| 151 |
ATOM 150 CB LEU 69 21.172 22.677 8.098 6.00 7.19 0 |
| 152 |
ATOM 151 CG LEU 69 21.286 21.708 6.970 6.00 11.98 0 |
| 153 |
ATOM 152 CD1 LEU 69 22.310 20.632 7.308 6.00 14.26 0 |
| 154 |
ATOM 153 CD2 LEU 69 19.972 21.105 6.544 6.00 14.59 0 |
| 155 |
ATOM 154 N THR 70 20.366 25.572 9.412 7.00 8.75 0 |
| 156 |
ATOM 155 CA THR 70 20.212 26.401 10.613 6.00 11.33 0 |
| 157 |
ATOM 156 C THR 70 18.748 26.825 10.816 6.00 10.39 0 |
| 158 |
ATOM 157 O THR 70 18.209 26.628 11.925 8.00 11.01 0 |
| 159 |
ATOM 158 CB THR 70 21.088 27.682 10.550 6.00 14.37 0 |
| 160 |
ATOM 159 OG1 THR 70 22.426 27.191 10.632 8.00 20.15 0 |
| 161 |
ATOM 160 CG2 THR 70 20.809 28.468 11.846 6.00 17.07 0 |
| 162 |
ATOM 161 N ALA 71 18.073 27.191 9.710 7.00 7.95 0 |
| 163 |
ATOM 162 CA ALA 71 16.603 27.524 9.763 6.00 6.65 0 |
| 164 |
ATOM 163 C ALA 71 15.767 26.281 10.073 6.00 6.78 0 |
| 165 |
ATOM 164 O ALA 71 14.863 26.335 10.911 8.00 9.21 0 |
| 166 |
ATOM 165 CB ALA 71 16.244 28.064 8.393 6.00 7.41 0 |
| 167 |
ATOM 166 N LEU 72 16.072 25.154 9.384 7.00 4.98 0 |
| 168 |
ATOM 167 CA LEU 72 15.433 23.897 9.655 6.00 4.00 0 |
| 169 |
ATOM 168 C LEU 72 15.582 23.424 11.079 6.00 7.23 0 |
| 170 |
ATOM 169 O LEU 72 14.628 23.034 11.758 8.00 9.08 0 |
| 171 |
ATOM 170 CB LEU 72 15.809 22.835 8.656 6.00 7.66 0 |
| 172 |
ATOM 171 CG LEU 72 14.970 21.504 8.784 6.00 10.24 0 |
| 173 |
ATOM 172 CD1 LEU 72 13.511 21.733 8.638 6.00 10.34 0 |
| 174 |
ATOM 173 CD2 LEU 72 15.379 20.450 7.750 6.00 14.68 0 |
| 175 |
ATOM 174 N GLY 73 16.736 23.578 11.677 7.00 9.26 0 |
| 176 |
ATOM 175 CA GLY 73 16.925 23.180 13.070 6.00 9.55 0 |
| 177 |
ATOM 176 C GLY 73 16.088 24.001 14.057 6.00 7.20 0 |
| 178 |
ATOM 177 O GLY 73 15.597 23.493 15.058 8.00 11.90 0 |
| 179 |
ATOM 178 N ALA 74 16.112 25.305 13.818 7.00 9.90 0 |
| 180 |
ATOM 179 CA ALA 74 15.282 26.217 14.621 6.00 9.71 0 |
| 181 |
ATOM 180 C ALA 74 13.812 25.796 14.616 6.00 10.03 0 |
| 182 |
ATOM 181 O ALA 74 13.176 25.887 15.663 8.00 12.13 0 |
| 183 |
ATOM 182 CB ALA 74 15.441 27.637 14.093 6.00 12.78 0 |
| 184 |
ATOM 183 N ILE 75 13.335 25.345 13.457 7.00 10.07 0 |
| 185 |
ATOM 184 CA ILE 75 11.918 24.902 13.343 6.00 10.20 0 |
| 186 |
ATOM 185 C ILE 75 11.660 23.598 14.129 6.00 11.34 0 |
| 187 |
ATOM 186 O ILE 75 10.764 23.442 14.971 8.00 9.13 0 |
| 188 |
ATOM 187 CB ILE 75 11.556 24.691 11.849 6.00 7.81 0 |
| 189 |
ATOM 188 CG1 ILE 75 11.470 26.073 11.089 6.00 9.05 0 |
| 190 |
ATOM 189 CG2 ILE 75 10.243 23.952 11.795 6.00 10.00 0 |
| 191 |
ATOM 190 CD1 ILE 75 11.506 25.843 9.557 6.00 10.96 0 |
| 192 |
ATOM 191 N LEU 76 12.551 22.643 13.885 7.00 8.19 0 |
| 193 |
ATOM 192 CA LEU 76 12.462 21.366 14.576 6.00 7.91 0 |
| 194 |
ATOM 193 C LEU 76 12.424 21.449 16.105 6.00 10.85 0 |
| 195 |
ATOM 194 O LEU 76 11.664 20.654 16.708 8.00 12.23 0 |
| 196 |
ATOM 195 CB LEU 76 13.511 20.348 14.097 6.00 6.77 0 |
| 197 |
ATOM 196 CG LEU 76 13.395 19.998 12.616 6.00 8.20 0 |
| 198 |
ATOM 197 CD1 LEU 76 14.601 19.027 12.277 6.00 16.62 0 |
| 199 |
ATOM 198 CD2 LEU 76 12.126 19.237 12.231 6.00 12.31 0 |
| 200 |
ATOM 199 N LYS 77 13.238 22.401 16.677 7.00 7.92 0 |
| 201 |
ATOM 200 CA LYS 77 13.368 22.399 18.121 6.00 7.96 0 |
| 202 |
ATOM 201 C LYS 77 12.216 23.170 18.697 6.00 11.72 0 |
| 203 |
ATOM 202 O LYS 77 12.124 23.160 19.910 8.00 12.45 0 |
| 204 |
ATOM 203 CB LYS 77 14.688 23.099 18.598 6.00 13.47 0 |
| 205 |
ATOM 204 CG LYS 77 15.929 22.344 18.188 6.00 13.04 0 |
| 206 |
ATOM 205 CD LYS 77 17.070 23.268 18.346 6.00 13.35 0 |
| 207 |
ATOM 206 CE LYS 77 18.322 22.522 17.902 6.00 14.94 0 |
| 208 |
ATOM 207 NZ LYS 77 19.474 23.441 17.952 7.00 20.65 0 |
| 209 |
TER 208 LYS |
| 210 |
END |
