USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 ASN : amide:sc= -2.34! K(o=-1.5!,f=0.64) USER MOD Set 1.2: A 75 SER OG : rot -130:sc= 0.868 USER MOD Set 2.1: A 21 SER OG : rot -36:sc= 0.543 USER MOD Set 2.2: A 60 ASN : amide:sc= -2.64! C(o=-2.1!,f=-13!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 8 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.007) USER MOD Single : A 9 GLN : amide:sc= -1.28 X(o=-1.3,f=-0.79) USER MOD Single : A 11 SER OG : rot 37:sc= -1.03! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.524 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 159:sc= 0.817 USER MOD Single : A 42 TYR OH : rot -9:sc= -2.48! USER MOD Single : A 44 THR OG1 : rot -28:sc= 0.27 USER MOD Single : A 49 THR OG1 : rot 21:sc= -0.194 USER MOD Single : A 50 GLN : amide:sc= -2.45! C(o=-2.5!,f=-2.8!) USER MOD Single : A 52 THR OG1 : rot -110:sc= 0.872 USER MOD Single : A 55 ASN : amide:sc= 0.949 K(o=0.95,f=-1.4) USER MOD Single : A 62 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.44) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.019) USER MOD Single : A 69 ASN : amide:sc= 1.1 K(o=1.1,f=-2.3) USER MOD Single : A 74 ASN : amide:sc= -0.539 K(o=-0.54,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 24 N ARG A 3 35.670 -2.762 -0.602 1.00 0.00 N ATOM 25 CA ARG A 3 36.470 -1.545 -0.789 1.00 0.00 C ATOM 26 C ARG A 3 37.947 -1.817 -0.493 1.00 0.00 C ATOM 27 O ARG A 3 38.741 -0.897 -0.347 1.00 0.00 O ATOM 28 CB ARG A 3 35.946 -0.410 0.107 1.00 0.00 C ATOM 29 CG ARG A 3 36.550 0.958 -0.200 1.00 0.00 C ATOM 30 CD ARG A 3 36.235 1.976 0.887 1.00 0.00 C ATOM 31 NE ARG A 3 34.797 2.205 1.038 1.00 0.00 N ATOM 32 CZ ARG A 3 34.275 3.172 1.793 1.00 0.00 C ATOM 33 NH1 ARG A 3 35.071 4.005 2.458 1.00 0.00 N ATOM 34 NH2 ARG A 3 32.953 3.304 1.885 1.00 0.00 N ATOM 0 HA ARG A 3 36.379 -1.235 -1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 3 34.863 -0.349 0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 3 36.151 -0.660 1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 3 37.631 0.862 -0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 3 36.168 1.317 -1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 3 36.646 1.630 1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 3 36.727 2.919 0.651 1.00 0.00 H new ATOM 0 HE ARG A 3 34.157 1.589 0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 3 36.084 3.905 2.391 1.00 0.00 H new ATOM 0 HH12 ARG A 3 34.668 4.744 3.035 1.00 0.00 H new ATOM 0 HH21 ARG A 3 32.340 2.665 1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 3 32.553 4.044 2.463 1.00 0.00 H new ATOM 48 N THR A 4 38.311 -3.092 -0.437 1.00 0.00 N ATOM 49 CA THR A 4 39.660 -3.491 -0.065 1.00 0.00 C ATOM 50 C THR A 4 40.561 -3.689 -1.283 1.00 0.00 C ATOM 51 O THR A 4 41.631 -4.291 -1.177 1.00 0.00 O ATOM 52 CB THR A 4 39.629 -4.788 0.764 1.00 0.00 C ATOM 53 OG1 THR A 4 38.723 -5.731 0.167 1.00 0.00 O ATOM 54 CG2 THR A 4 39.206 -4.507 2.196 1.00 0.00 C ATOM 0 H THR A 4 37.686 -3.870 -0.646 1.00 0.00 H new ATOM 0 HA THR A 4 40.076 -2.680 0.533 1.00 0.00 H new ATOM 0 HB THR A 4 40.635 -5.208 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 4 38.710 -6.554 0.699 1.00 0.00 H new ATOM 0 HG21 THR A 4 39.192 -5.439 2.761 1.00 0.00 H new ATOM 0 HG22 THR A 4 39.912 -3.815 2.655 1.00 0.00 H new ATOM 0 HG23 THR A 4 38.210 -4.065 2.201 1.00 0.00 H new ATOM 62 N CYS A 5 40.121 -3.171 -2.433 1.00 0.00 N ATOM 63 CA CYS A 5 40.888 -3.257 -3.678 1.00 0.00 C ATOM 64 C CYS A 5 41.029 -4.713 -4.165 1.00 0.00 C ATOM 65 O CYS A 5 40.647 -5.652 -3.464 1.00 0.00 O ATOM 66 CB CYS A 5 42.256 -2.582 -3.499 1.00 0.00 C ATOM 67 SG CYS A 5 42.183 -0.770 -3.641 1.00 0.00 S ATOM 0 H CYS A 5 39.230 -2.684 -2.527 1.00 0.00 H new ATOM 0 HA CYS A 5 40.340 -2.724 -4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 5 42.660 -2.848 -2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 5 42.947 -2.971 -4.247 1.00 0.00 H new ATOM 72 N PRO A 6 41.519 -4.921 -5.405 1.00 0.00 N ATOM 73 CA PRO A 6 41.741 -6.264 -5.956 1.00 0.00 C ATOM 74 C PRO A 6 42.962 -6.945 -5.334 1.00 0.00 C ATOM 75 O PRO A 6 43.707 -6.320 -4.585 1.00 0.00 O ATOM 76 CB PRO A 6 41.983 -6.011 -7.456 1.00 0.00 C ATOM 77 CG PRO A 6 41.665 -4.571 -7.687 1.00 0.00 C ATOM 78 CD PRO A 6 41.879 -3.881 -6.375 1.00 0.00 C ATOM 0 HA PRO A 6 40.900 -6.927 -5.755 1.00 0.00 H new ATOM 0 HB2 PRO A 6 43.016 -6.231 -7.727 1.00 0.00 H new ATOM 0 HB3 PRO A 6 41.349 -6.653 -8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 6 42.309 -4.149 -8.459 1.00 0.00 H new ATOM 0 HG3 PRO A 6 40.637 -4.449 -8.028 1.00 0.00 H new ATOM 0 HD2 PRO A 6 42.911 -3.553 -6.253 1.00 0.00 H new ATOM 0 HD3 PRO A 6 41.249 -2.997 -6.274 1.00 0.00 H new ATOM 86 N PRO A 7 43.176 -8.243 -5.620 1.00 0.00 N ATOM 87 CA PRO A 7 44.372 -8.959 -5.164 1.00 0.00 C ATOM 88 C PRO A 7 45.663 -8.262 -5.596 1.00 0.00 C ATOM 89 O PRO A 7 45.731 -7.692 -6.690 1.00 0.00 O ATOM 90 CB PRO A 7 44.253 -10.326 -5.844 1.00 0.00 C ATOM 91 CG PRO A 7 42.796 -10.496 -6.109 1.00 0.00 C ATOM 92 CD PRO A 7 42.263 -9.119 -6.378 1.00 0.00 C ATOM 0 HA PRO A 7 44.423 -9.013 -4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 7 44.829 -10.359 -6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 7 44.633 -11.121 -5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 7 42.628 -11.153 -6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 7 42.294 -10.949 -5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 7 42.274 -8.885 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 7 41.232 -9.014 -6.039 1.00 0.00 H new ATOM 100 N ASN A 8 46.670 -8.300 -4.718 1.00 0.00 N ATOM 101 CA ASN A 8 47.975 -7.668 -4.969 1.00 0.00 C ATOM 102 C ASN A 8 47.835 -6.144 -4.983 1.00 0.00 C ATOM 103 O ASN A 8 48.720 -5.420 -5.443 1.00 0.00 O ATOM 104 CB ASN A 8 48.576 -8.164 -6.293 1.00 0.00 C ATOM 105 CG ASN A 8 50.091 -8.047 -6.345 1.00 0.00 C ATOM 106 OD1 ASN A 8 50.804 -8.969 -5.957 1.00 0.00 O ATOM 107 ND2 ASN A 8 50.593 -6.924 -6.835 1.00 0.00 N ATOM 0 H ASN A 8 46.607 -8.768 -3.814 1.00 0.00 H new ATOM 0 HA ASN A 8 48.652 -7.949 -4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 8 48.293 -9.206 -6.445 1.00 0.00 H new ATOM 0 HB3 ASN A 8 48.146 -7.593 -7.116 1.00 0.00 H new ATOM 0 HD21 ASN A 8 51.604 -6.803 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 8 49.969 -6.180 -7.147 1.00 0.00 H new ATOM 114 N GLN A 9 46.729 -5.663 -4.439 1.00 0.00 N ATOM 115 CA GLN A 9 46.424 -4.249 -4.424 1.00 0.00 C ATOM 116 C GLN A 9 45.998 -3.843 -3.028 1.00 0.00 C ATOM 117 O GLN A 9 45.320 -4.595 -2.330 1.00 0.00 O ATOM 118 CB GLN A 9 45.308 -3.918 -5.416 1.00 0.00 C ATOM 119 CG GLN A 9 45.718 -2.951 -6.512 1.00 0.00 C ATOM 120 CD GLN A 9 46.747 -3.537 -7.467 1.00 0.00 C ATOM 121 OE1 GLN A 9 47.561 -2.815 -8.033 1.00 0.00 O ATOM 122 NE2 GLN A 9 46.719 -4.850 -7.657 1.00 0.00 N ATOM 0 H GLN A 9 46.019 -6.246 -3.996 1.00 0.00 H new ATOM 0 HA GLN A 9 47.318 -3.698 -4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 9 44.958 -4.843 -5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 9 44.465 -3.495 -4.870 1.00 0.00 H new ATOM 0 HG2 GLN A 9 44.834 -2.654 -7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 9 46.125 -2.047 -6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 9 46.028 -5.421 -7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 9 47.388 -5.288 -8.290 1.00 0.00 H new ATOM 131 N PHE A 10 46.412 -2.668 -2.628 1.00 0.00 N ATOM 132 CA PHE A 10 46.115 -2.153 -1.319 1.00 0.00 C ATOM 133 C PHE A 10 45.108 -1.022 -1.432 1.00 0.00 C ATOM 134 O PHE A 10 45.204 -0.164 -2.313 1.00 0.00 O ATOM 135 CB PHE A 10 47.408 -1.683 -0.632 1.00 0.00 C ATOM 136 CG PHE A 10 47.185 -0.902 0.636 1.00 0.00 C ATOM 137 CD1 PHE A 10 46.336 -1.385 1.619 1.00 0.00 C ATOM 138 CD2 PHE A 10 47.812 0.325 0.842 1.00 0.00 C ATOM 139 CE1 PHE A 10 46.107 -0.666 2.773 1.00 0.00 C ATOM 140 CE2 PHE A 10 47.588 1.043 1.999 1.00 0.00 C ATOM 141 CZ PHE A 10 46.732 0.549 2.961 1.00 0.00 C ATOM 0 H PHE A 10 46.968 -2.039 -3.207 1.00 0.00 H new ATOM 0 HA PHE A 10 45.677 -2.941 -0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 10 48.023 -2.554 -0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 10 47.974 -1.066 -1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 10 45.847 -2.338 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 10 48.479 0.718 0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 10 45.439 -1.054 3.528 1.00 0.00 H new ATOM 0 HE2 PHE A 10 48.083 1.991 2.151 1.00 0.00 H new ATOM 0 HZ PHE A 10 46.551 1.115 3.863 1.00 0.00 H new ATOM 151 N SER A 11 44.164 -1.026 -0.521 1.00 0.00 N ATOM 152 CA SER A 11 43.120 -0.050 -0.486 1.00 0.00 C ATOM 153 C SER A 11 43.411 0.937 0.611 1.00 0.00 C ATOM 154 O SER A 11 43.297 0.642 1.802 1.00 0.00 O ATOM 155 CB SER A 11 41.781 -0.726 -0.244 1.00 0.00 C ATOM 156 OG SER A 11 41.829 -1.533 0.923 1.00 0.00 O ATOM 0 H SER A 11 44.106 -1.720 0.224 1.00 0.00 H new ATOM 0 HA SER A 11 43.073 0.472 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 11 41.001 0.028 -0.139 1.00 0.00 H new ATOM 0 HB3 SER A 11 41.517 -1.339 -1.105 1.00 0.00 H new ATOM 0 HG SER A 11 42.384 -1.094 1.601 1.00 0.00 H new ATOM 162 N CYS A 12 43.833 2.092 0.177 1.00 0.00 N ATOM 163 CA CYS A 12 44.246 3.152 1.060 1.00 0.00 C ATOM 164 C CYS A 12 43.040 3.767 1.759 1.00 0.00 C ATOM 165 O CYS A 12 41.953 3.191 1.766 1.00 0.00 O ATOM 166 CB CYS A 12 44.963 4.201 0.234 1.00 0.00 C ATOM 167 SG CYS A 12 46.451 4.901 0.990 1.00 0.00 S ATOM 0 H CYS A 12 43.901 2.329 -0.813 1.00 0.00 H new ATOM 0 HA CYS A 12 44.911 2.757 1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 12 45.236 3.760 -0.725 1.00 0.00 H new ATOM 0 HB3 CYS A 12 44.266 5.013 0.024 1.00 0.00 H new ATOM 172 N ALA A 13 43.239 4.938 2.344 1.00 0.00 N ATOM 173 CA ALA A 13 42.164 5.673 2.996 1.00 0.00 C ATOM 174 C ALA A 13 40.994 5.954 2.043 1.00 0.00 C ATOM 175 O ALA A 13 40.992 6.953 1.320 1.00 0.00 O ATOM 176 CB ALA A 13 42.695 6.973 3.577 1.00 0.00 C ATOM 0 H ALA A 13 44.145 5.405 2.381 1.00 0.00 H new ATOM 0 HA ALA A 13 41.782 5.046 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 13 41.882 7.514 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 13 43.472 6.754 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 13 43.112 7.585 2.777 1.00 0.00 H new ATOM 182 N SER A 14 40.045 5.021 2.013 1.00 0.00 N ATOM 183 CA SER A 14 38.751 5.194 1.351 1.00 0.00 C ATOM 184 C SER A 14 38.820 5.134 -0.180 1.00 0.00 C ATOM 185 O SER A 14 38.190 4.270 -0.785 1.00 0.00 O ATOM 186 CB SER A 14 38.087 6.497 1.805 1.00 0.00 C ATOM 187 OG SER A 14 37.862 6.485 3.206 1.00 0.00 O ATOM 0 H SER A 14 40.154 4.108 2.455 1.00 0.00 H new ATOM 0 HA SER A 14 38.143 4.343 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 14 38.720 7.344 1.541 1.00 0.00 H new ATOM 0 HB3 SER A 14 37.141 6.630 1.281 1.00 0.00 H new ATOM 0 HG SER A 14 37.439 7.327 3.477 1.00 0.00 H new ATOM 193 N GLY A 15 39.574 6.034 -0.805 1.00 0.00 N ATOM 194 CA GLY A 15 39.455 6.203 -2.245 1.00 0.00 C ATOM 195 C GLY A 15 40.673 5.782 -3.050 1.00 0.00 C ATOM 196 O GLY A 15 40.621 5.769 -4.276 1.00 0.00 O ATOM 0 H GLY A 15 40.256 6.641 -0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 15 38.595 5.630 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 15 39.245 7.252 -2.455 1.00 0.00 H new ATOM 200 N ARG A 16 41.778 5.457 -2.394 1.00 0.00 N ATOM 201 CA ARG A 16 42.982 5.086 -3.129 1.00 0.00 C ATOM 202 C ARG A 16 43.039 3.571 -3.329 1.00 0.00 C ATOM 203 O ARG A 16 42.583 2.810 -2.477 1.00 0.00 O ATOM 204 CB ARG A 16 44.249 5.564 -2.419 1.00 0.00 C ATOM 205 CG ARG A 16 44.429 7.076 -2.336 1.00 0.00 C ATOM 206 CD ARG A 16 45.686 7.413 -1.544 1.00 0.00 C ATOM 207 NE ARG A 16 46.009 8.843 -1.534 1.00 0.00 N ATOM 208 CZ ARG A 16 47.240 9.319 -1.306 1.00 0.00 C ATOM 209 NH1 ARG A 16 48.251 8.483 -1.130 1.00 0.00 N ATOM 210 NH2 ARG A 16 47.464 10.626 -1.264 1.00 0.00 N ATOM 0 H ARG A 16 41.868 5.442 -1.378 1.00 0.00 H new ATOM 0 HA ARG A 16 42.935 5.578 -4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 16 44.251 5.160 -1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 16 45.113 5.141 -2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 16 44.498 7.497 -3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 16 43.559 7.528 -1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 16 45.561 7.070 -0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 16 46.528 6.862 -1.963 1.00 0.00 H new ATOM 0 HE ARG A 16 45.257 9.510 -1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 16 48.093 7.476 -1.168 1.00 0.00 H new ATOM 0 HH12 ARG A 16 49.188 8.846 -0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 16 46.694 11.280 -1.406 1.00 0.00 H new ATOM 0 HH22 ARG A 16 48.406 10.977 -1.090 1.00 0.00 H new ATOM 224 N CYS A 17 43.630 3.148 -4.437 1.00 0.00 N ATOM 225 CA CYS A 17 43.728 1.738 -4.779 1.00 0.00 C ATOM 226 C CYS A 17 45.086 1.508 -5.421 1.00 0.00 C ATOM 227 O CYS A 17 45.269 1.739 -6.614 1.00 0.00 O ATOM 228 CB CYS A 17 42.607 1.333 -5.738 1.00 0.00 C ATOM 229 SG CYS A 17 42.176 -0.430 -5.643 1.00 0.00 S ATOM 0 H CYS A 17 44.054 3.772 -5.123 1.00 0.00 H new ATOM 0 HA CYS A 17 43.625 1.128 -3.882 1.00 0.00 H new ATOM 0 HB2 CYS A 17 41.720 1.928 -5.520 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.908 1.571 -6.758 1.00 0.00 H new ATOM 234 N ILE A 18 46.051 1.110 -4.613 1.00 0.00 N ATOM 235 CA ILE A 18 47.441 1.122 -5.035 1.00 0.00 C ATOM 236 C ILE A 18 48.011 -0.293 -5.037 1.00 0.00 C ATOM 237 O ILE A 18 47.572 -1.130 -4.266 1.00 0.00 O ATOM 238 CB ILE A 18 48.267 2.025 -4.086 1.00 0.00 C ATOM 239 CG1 ILE A 18 48.674 1.267 -2.825 1.00 0.00 C ATOM 240 CG2 ILE A 18 47.442 3.239 -3.689 1.00 0.00 C ATOM 241 CD1 ILE A 18 49.398 2.122 -1.811 1.00 0.00 C ATOM 0 H ILE A 18 45.899 0.775 -3.662 1.00 0.00 H new ATOM 0 HA ILE A 18 47.497 1.518 -6.049 1.00 0.00 H new ATOM 0 HB ILE A 18 49.168 2.338 -4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 18 47.782 0.845 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 18 49.314 0.430 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 18 48.025 3.873 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 18 47.173 3.804 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 18 46.536 2.912 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 18 49.656 1.516 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 18 50.308 2.523 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 18 48.753 2.944 -1.502 1.00 0.00 H new ATOM 253 N PRO A 19 48.972 -0.596 -5.920 1.00 0.00 N ATOM 254 CA PRO A 19 49.648 -1.896 -5.910 1.00 0.00 C ATOM 255 C PRO A 19 50.435 -2.101 -4.624 1.00 0.00 C ATOM 256 O PRO A 19 51.131 -1.191 -4.170 1.00 0.00 O ATOM 257 CB PRO A 19 50.612 -1.826 -7.097 1.00 0.00 C ATOM 258 CG PRO A 19 50.128 -0.692 -7.938 1.00 0.00 C ATOM 259 CD PRO A 19 49.455 0.272 -7.000 1.00 0.00 C ATOM 0 HA PRO A 19 48.939 -2.721 -5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 19 51.635 -1.657 -6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.611 -2.760 -7.659 1.00 0.00 H new ATOM 0 HG2 PRO A 19 50.957 -0.213 -8.459 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.432 -1.043 -8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 19 50.150 1.026 -6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.637 0.803 -7.487 1.00 0.00 H new ATOM 267 N ILE A 20 50.342 -3.282 -4.028 1.00 0.00 N ATOM 268 CA ILE A 20 51.072 -3.532 -2.800 1.00 0.00 C ATOM 269 C ILE A 20 52.509 -3.911 -3.094 1.00 0.00 C ATOM 270 O ILE A 20 52.823 -5.073 -3.335 1.00 0.00 O ATOM 271 CB ILE A 20 50.482 -4.645 -1.942 1.00 0.00 C ATOM 272 CG1 ILE A 20 48.963 -4.598 -1.940 1.00 0.00 C ATOM 273 CG2 ILE A 20 51.016 -4.508 -0.531 1.00 0.00 C ATOM 274 CD1 ILE A 20 48.332 -5.584 -0.987 1.00 0.00 C ATOM 0 H ILE A 20 49.781 -4.064 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 20 51.005 -2.596 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 20 50.776 -5.608 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 20 48.639 -3.591 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 20 48.600 -4.796 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 20 50.601 -5.299 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 20 52.103 -4.588 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 20 50.729 -3.538 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 20 47.247 -5.495 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 20 48.627 -6.596 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 20 48.666 -5.373 0.029 1.00 0.00 H new ATOM 286 N SER A 21 53.360 -2.917 -3.115 1.00 0.00 N ATOM 287 CA SER A 21 54.786 -3.134 -3.188 1.00 0.00 C ATOM 288 C SER A 21 55.480 -1.950 -2.552 1.00 0.00 C ATOM 289 O SER A 21 56.705 -1.860 -2.541 1.00 0.00 O ATOM 290 CB SER A 21 55.230 -3.307 -4.648 1.00 0.00 C ATOM 291 OG SER A 21 56.627 -3.523 -4.746 1.00 0.00 O ATOM 0 H SER A 21 53.086 -1.935 -3.082 1.00 0.00 H new ATOM 0 HA SER A 21 55.052 -4.046 -2.655 1.00 0.00 H new ATOM 0 HB2 SER A 21 54.699 -4.148 -5.093 1.00 0.00 H new ATOM 0 HB3 SER A 21 54.957 -2.420 -5.219 1.00 0.00 H new ATOM 0 HG SER A 21 57.089 -2.991 -4.065 1.00 0.00 H new ATOM 297 N TRP A 22 54.678 -1.046 -1.996 1.00 0.00 N ATOM 298 CA TRP A 22 55.220 0.237 -1.541 1.00 0.00 C ATOM 299 C TRP A 22 54.351 0.975 -0.524 1.00 0.00 C ATOM 300 O TRP A 22 54.281 2.195 -0.558 1.00 0.00 O ATOM 301 CB TRP A 22 55.498 1.150 -2.744 1.00 0.00 C ATOM 302 CG TRP A 22 54.402 1.192 -3.776 1.00 0.00 C ATOM 303 CD1 TRP A 22 54.209 0.304 -4.796 1.00 0.00 C ATOM 304 CD2 TRP A 22 53.375 2.185 -3.910 1.00 0.00 C ATOM 305 NE1 TRP A 22 53.128 0.680 -5.553 1.00 0.00 N ATOM 306 CE2 TRP A 22 52.599 1.830 -5.030 1.00 0.00 C ATOM 307 CE3 TRP A 22 53.031 3.336 -3.192 1.00 0.00 C ATOM 308 CZ2 TRP A 22 51.508 2.586 -5.448 1.00 0.00 C ATOM 309 CZ3 TRP A 22 51.948 4.084 -3.611 1.00 0.00 C ATOM 310 CH2 TRP A 22 51.199 3.706 -4.729 1.00 0.00 C ATOM 0 H TRP A 22 53.676 -1.169 -1.851 1.00 0.00 H new ATOM 0 HA TRP A 22 56.144 -0.009 -1.019 1.00 0.00 H new ATOM 0 HB2 TRP A 22 55.673 2.162 -2.380 1.00 0.00 H new ATOM 0 HB3 TRP A 22 56.418 0.821 -3.226 1.00 0.00 H new ATOM 0 HD1 TRP A 22 54.819 -0.568 -4.980 1.00 0.00 H new ATOM 0 HE1 TRP A 22 52.776 0.184 -6.372 1.00 0.00 H new ATOM 0 HE3 TRP A 22 53.602 3.634 -2.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 50.926 2.297 -6.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 51.675 4.976 -3.066 1.00 0.00 H new ATOM 0 HH2 TRP A 22 50.358 4.312 -5.031 1.00 0.00 H new ATOM 321 N THR A 23 53.698 0.257 0.375 1.00 0.00 N ATOM 322 CA THR A 23 53.090 0.906 1.531 1.00 0.00 C ATOM 323 C THR A 23 54.168 1.473 2.463 1.00 0.00 C ATOM 324 O THR A 23 54.595 2.609 2.309 1.00 0.00 O ATOM 325 CB THR A 23 52.192 -0.080 2.305 1.00 0.00 C ATOM 326 OG1 THR A 23 52.917 -1.301 2.541 1.00 0.00 O ATOM 327 CG2 THR A 23 50.933 -0.393 1.515 1.00 0.00 C ATOM 0 H THR A 23 53.575 -0.755 0.332 1.00 0.00 H new ATOM 0 HA THR A 23 52.473 1.727 1.167 1.00 0.00 H new ATOM 0 HB THR A 23 51.908 0.378 3.252 1.00 0.00 H new ATOM 0 HG1 THR A 23 52.349 -1.929 3.034 1.00 0.00 H new ATOM 0 HG21 THR A 23 50.314 -1.090 2.079 1.00 0.00 H new ATOM 0 HG22 THR A 23 50.376 0.527 1.339 1.00 0.00 H new ATOM 0 HG23 THR A 23 51.205 -0.841 0.559 1.00 0.00 H new ATOM 335 N CYS A 24 54.581 0.643 3.416 1.00 0.00 N ATOM 336 CA CYS A 24 55.642 0.933 4.376 1.00 0.00 C ATOM 337 C CYS A 24 56.945 1.363 3.691 1.00 0.00 C ATOM 338 O CYS A 24 57.886 0.576 3.575 1.00 0.00 O ATOM 339 CB CYS A 24 55.866 -0.345 5.178 1.00 0.00 C ATOM 340 SG CYS A 24 57.110 -0.241 6.491 1.00 0.00 S ATOM 0 H CYS A 24 54.172 -0.282 3.546 1.00 0.00 H new ATOM 0 HA CYS A 24 55.345 1.766 5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 24 54.917 -0.643 5.624 1.00 0.00 H new ATOM 0 HB3 CYS A 24 56.157 -1.138 4.489 1.00 0.00 H new ATOM 345 N ASP A 25 56.994 2.606 3.254 1.00 0.00 N ATOM 346 CA ASP A 25 58.080 3.086 2.404 1.00 0.00 C ATOM 347 C ASP A 25 58.461 4.540 2.721 1.00 0.00 C ATOM 348 O ASP A 25 59.488 5.038 2.250 1.00 0.00 O ATOM 349 CB ASP A 25 57.635 2.922 0.944 1.00 0.00 C ATOM 350 CG ASP A 25 58.544 3.580 -0.066 1.00 0.00 C ATOM 351 OD1 ASP A 25 59.628 3.020 -0.363 1.00 0.00 O ATOM 352 OD2 ASP A 25 58.151 4.637 -0.591 1.00 0.00 O ATOM 0 H ASP A 25 56.291 3.312 3.473 1.00 0.00 H new ATOM 0 HA ASP A 25 58.980 2.500 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.568 1.858 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 25 56.632 3.335 0.835 1.00 0.00 H new ATOM 357 N LEU A 26 57.648 5.190 3.559 1.00 0.00 N ATOM 358 CA LEU A 26 57.841 6.582 3.969 1.00 0.00 C ATOM 359 C LEU A 26 57.405 7.555 2.880 1.00 0.00 C ATOM 360 O LEU A 26 57.785 8.730 2.903 1.00 0.00 O ATOM 361 CB LEU A 26 59.291 6.860 4.396 1.00 0.00 C ATOM 362 CG LEU A 26 59.670 6.332 5.782 1.00 0.00 C ATOM 363 CD1 LEU A 26 61.159 6.491 6.027 1.00 0.00 C ATOM 364 CD2 LEU A 26 58.884 7.062 6.861 1.00 0.00 C ATOM 0 H LEU A 26 56.825 4.756 3.977 1.00 0.00 H new ATOM 0 HA LEU A 26 57.203 6.742 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 26 59.962 6.418 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 26 59.460 7.937 4.375 1.00 0.00 H new ATOM 0 HG LEU A 26 59.422 5.271 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 26 61.408 6.110 7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 26 61.713 5.932 5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 26 61.427 7.546 5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 26 59.165 6.675 7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 26 59.106 8.128 6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.817 6.907 6.702 1.00 0.00 H new ATOM 376 N ASP A 27 56.580 7.080 1.952 1.00 0.00 N ATOM 377 CA ASP A 27 56.030 7.942 0.911 1.00 0.00 C ATOM 378 C ASP A 27 54.535 8.175 1.160 1.00 0.00 C ATOM 379 O ASP A 27 53.974 7.677 2.150 1.00 0.00 O ATOM 380 CB ASP A 27 56.262 7.351 -0.488 1.00 0.00 C ATOM 381 CG ASP A 27 56.183 8.406 -1.585 1.00 0.00 C ATOM 382 OD1 ASP A 27 57.221 9.033 -1.890 1.00 0.00 O ATOM 383 OD2 ASP A 27 55.078 8.621 -2.134 1.00 0.00 O ATOM 0 H ASP A 27 56.278 6.107 1.899 1.00 0.00 H new ATOM 0 HA ASP A 27 56.550 8.899 0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 27 57.240 6.871 -0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 27 55.520 6.576 -0.679 1.00 0.00 H new ATOM 388 N ASP A 28 53.893 8.907 0.251 1.00 0.00 N ATOM 389 CA ASP A 28 52.542 9.414 0.468 1.00 0.00 C ATOM 390 C ASP A 28 51.481 8.397 0.062 1.00 0.00 C ATOM 391 O ASP A 28 50.921 8.458 -1.036 1.00 0.00 O ATOM 392 CB ASP A 28 52.329 10.732 -0.298 1.00 0.00 C ATOM 393 CG ASP A 28 50.997 11.406 0.015 1.00 0.00 C ATOM 394 OD1 ASP A 28 49.981 11.084 -0.648 1.00 0.00 O ATOM 395 OD2 ASP A 28 50.966 12.283 0.906 1.00 0.00 O ATOM 0 H ASP A 28 54.293 9.163 -0.651 1.00 0.00 H new ATOM 0 HA ASP A 28 52.435 9.599 1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 28 53.141 11.419 -0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 28 52.385 10.535 -1.369 1.00 0.00 H new ATOM 400 N ASP A 29 51.249 7.427 0.926 1.00 0.00 N ATOM 401 CA ASP A 29 50.055 6.610 0.841 1.00 0.00 C ATOM 402 C ASP A 29 49.428 6.538 2.233 1.00 0.00 C ATOM 403 O ASP A 29 49.642 7.445 3.037 1.00 0.00 O ATOM 404 CB ASP A 29 50.332 5.224 0.228 1.00 0.00 C ATOM 405 CG ASP A 29 51.064 4.270 1.140 1.00 0.00 C ATOM 406 OD1 ASP A 29 52.304 4.357 1.218 1.00 0.00 O ATOM 407 OD2 ASP A 29 50.382 3.416 1.752 1.00 0.00 O ATOM 0 H ASP A 29 51.873 7.186 1.696 1.00 0.00 H new ATOM 0 HA ASP A 29 49.343 7.069 0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 29 49.383 4.773 -0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 29 50.915 5.354 -0.684 1.00 0.00 H new ATOM 412 N CYS A 30 48.653 5.509 2.537 1.00 0.00 N ATOM 413 CA CYS A 30 47.812 5.561 3.726 1.00 0.00 C ATOM 414 C CYS A 30 47.164 4.226 4.107 1.00 0.00 C ATOM 415 O CYS A 30 46.030 3.936 3.721 1.00 0.00 O ATOM 416 CB CYS A 30 46.728 6.633 3.544 1.00 0.00 C ATOM 417 SG CYS A 30 45.806 6.573 1.951 1.00 0.00 S ATOM 0 H CYS A 30 48.587 4.648 1.994 1.00 0.00 H new ATOM 0 HA CYS A 30 48.477 5.813 4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 30 46.012 6.542 4.361 1.00 0.00 H new ATOM 0 HB3 CYS A 30 47.194 7.614 3.636 1.00 0.00 H new ATOM 422 N GLY A 31 47.887 3.417 4.871 1.00 0.00 N ATOM 423 CA GLY A 31 47.270 2.288 5.546 1.00 0.00 C ATOM 424 C GLY A 31 46.402 2.765 6.695 1.00 0.00 C ATOM 425 O GLY A 31 45.512 2.059 7.165 1.00 0.00 O ATOM 0 H GLY A 31 48.888 3.521 5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.667 1.719 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.041 1.615 5.920 1.00 0.00 H new ATOM 429 N ASP A 32 46.687 3.982 7.135 1.00 0.00 N ATOM 430 CA ASP A 32 45.903 4.665 8.157 1.00 0.00 C ATOM 431 C ASP A 32 45.906 6.156 7.865 1.00 0.00 C ATOM 432 O ASP A 32 44.875 6.755 7.565 1.00 0.00 O ATOM 433 CB ASP A 32 46.480 4.412 9.559 1.00 0.00 C ATOM 434 CG ASP A 32 46.015 5.445 10.575 1.00 0.00 C ATOM 435 OD1 ASP A 32 44.953 5.252 11.194 1.00 0.00 O ATOM 436 OD2 ASP A 32 46.716 6.467 10.744 1.00 0.00 O ATOM 0 H ASP A 32 47.476 4.529 6.790 1.00 0.00 H new ATOM 0 HA ASP A 32 44.884 4.277 8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.186 3.418 9.896 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.569 4.422 9.508 1.00 0.00 H new ATOM 441 N ARG A 33 47.092 6.738 7.934 1.00 0.00 N ATOM 442 CA ARG A 33 47.265 8.158 7.707 1.00 0.00 C ATOM 443 C ARG A 33 48.248 8.383 6.573 1.00 0.00 C ATOM 444 O ARG A 33 47.861 8.725 5.463 1.00 0.00 O ATOM 445 CB ARG A 33 47.776 8.817 8.982 1.00 0.00 C ATOM 446 CG ARG A 33 47.125 10.147 9.272 1.00 0.00 C ATOM 447 CD ARG A 33 45.617 10.006 9.427 1.00 0.00 C ATOM 448 NE ARG A 33 45.243 8.864 10.267 1.00 0.00 N ATOM 449 CZ ARG A 33 44.087 8.760 10.913 1.00 0.00 C ATOM 450 NH1 ARG A 33 43.223 9.769 10.911 1.00 0.00 N ATOM 451 NH2 ARG A 33 43.796 7.644 11.562 1.00 0.00 N ATOM 0 H ARG A 33 47.956 6.240 8.148 1.00 0.00 H new ATOM 0 HA ARG A 33 46.307 8.601 7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 33 47.604 8.146 9.823 1.00 0.00 H new ATOM 0 HB3 ARG A 33 48.854 8.958 8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 33 47.548 10.570 10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 33 47.345 10.845 8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 33 45.213 10.920 9.861 1.00 0.00 H new ATOM 0 HD3 ARG A 33 45.163 9.893 8.443 1.00 0.00 H new ATOM 0 HE ARG A 33 45.913 8.101 10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 33 43.446 10.630 10.411 1.00 0.00 H new ATOM 0 HH12 ARG A 33 42.337 9.683 11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 33 44.458 6.868 11.565 1.00 0.00 H new ATOM 0 HH22 ARG A 33 42.910 7.560 12.059 1.00 0.00 H new ATOM 465 N SER A 34 49.522 8.176 6.866 1.00 0.00 N ATOM 466 CA SER A 34 50.563 8.200 5.852 1.00 0.00 C ATOM 467 C SER A 34 51.110 6.793 5.675 1.00 0.00 C ATOM 468 O SER A 34 52.195 6.600 5.149 1.00 0.00 O ATOM 469 CB SER A 34 51.678 9.158 6.274 1.00 0.00 C ATOM 470 OG SER A 34 52.150 8.837 7.575 1.00 0.00 O ATOM 0 H SER A 34 49.862 7.987 7.809 1.00 0.00 H new ATOM 0 HA SER A 34 50.151 8.549 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 34 52.500 9.104 5.560 1.00 0.00 H new ATOM 0 HB3 SER A 34 51.309 10.183 6.258 1.00 0.00 H new ATOM 0 HG SER A 34 52.864 9.459 7.827 1.00 0.00 H new ATOM 476 N ASP A 35 50.330 5.828 6.173 1.00 0.00 N ATOM 477 CA ASP A 35 50.697 4.401 6.172 1.00 0.00 C ATOM 478 C ASP A 35 51.811 4.105 7.182 1.00 0.00 C ATOM 479 O ASP A 35 52.021 2.965 7.591 1.00 0.00 O ATOM 480 CB ASP A 35 51.115 3.909 4.788 1.00 0.00 C ATOM 481 CG ASP A 35 51.502 2.454 4.834 1.00 0.00 C ATOM 482 OD1 ASP A 35 50.599 1.601 5.023 1.00 0.00 O ATOM 483 OD2 ASP A 35 52.702 2.165 4.756 1.00 0.00 O ATOM 0 H ASP A 35 49.419 6.013 6.592 1.00 0.00 H new ATOM 0 HA ASP A 35 49.798 3.859 6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 35 50.295 4.050 4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 35 51.954 4.502 4.424 1.00 0.00 H new ATOM 488 N GLU A 36 52.445 5.142 7.682 1.00 0.00 N ATOM 489 CA GLU A 36 53.636 4.956 8.480 1.00 0.00 C ATOM 490 C GLU A 36 53.312 5.112 9.950 1.00 0.00 C ATOM 491 O GLU A 36 53.700 6.084 10.595 1.00 0.00 O ATOM 492 CB GLU A 36 54.719 5.955 8.057 1.00 0.00 C ATOM 493 CG GLU A 36 55.005 5.946 6.559 1.00 0.00 C ATOM 494 CD GLU A 36 55.417 4.582 6.044 1.00 0.00 C ATOM 495 OE1 GLU A 36 55.605 3.670 6.867 1.00 0.00 O ATOM 496 OE2 GLU A 36 55.579 4.430 4.823 1.00 0.00 O ATOM 0 H GLU A 36 52.160 6.113 7.552 1.00 0.00 H new ATOM 0 HA GLU A 36 54.015 3.947 8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 36 54.413 6.958 8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 36 55.640 5.730 8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 36 54.116 6.278 6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 36 55.795 6.665 6.341 1.00 0.00 H new ATOM 503 N SER A 37 52.556 4.142 10.456 1.00 0.00 N ATOM 504 CA SER A 37 52.207 4.083 11.863 1.00 0.00 C ATOM 505 C SER A 37 51.415 2.811 12.174 1.00 0.00 C ATOM 506 O SER A 37 51.960 1.855 12.717 1.00 0.00 O ATOM 507 CB SER A 37 51.405 5.321 12.280 1.00 0.00 C ATOM 508 OG SER A 37 51.209 5.358 13.681 1.00 0.00 O ATOM 0 H SER A 37 52.171 3.379 9.900 1.00 0.00 H new ATOM 0 HA SER A 37 53.134 4.063 12.436 1.00 0.00 H new ATOM 0 HB2 SER A 37 51.929 6.221 11.960 1.00 0.00 H new ATOM 0 HB3 SER A 37 50.439 5.318 11.775 1.00 0.00 H new ATOM 0 HG SER A 37 50.696 6.159 13.919 1.00 0.00 H new ATOM 514 N ALA A 38 50.145 2.784 11.779 1.00 0.00 N ATOM 515 CA ALA A 38 49.235 1.723 12.210 1.00 0.00 C ATOM 516 C ALA A 38 49.200 0.529 11.259 1.00 0.00 C ATOM 517 O ALA A 38 48.581 -0.486 11.566 1.00 0.00 O ATOM 518 CB ALA A 38 47.835 2.285 12.390 1.00 0.00 C ATOM 0 H ALA A 38 49.723 3.480 11.164 1.00 0.00 H new ATOM 0 HA ALA A 38 49.618 1.351 13.160 1.00 0.00 H new ATOM 0 HB1 ALA A 38 47.162 1.490 12.711 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.853 3.072 13.144 1.00 0.00 H new ATOM 0 HB3 ALA A 38 47.484 2.697 11.444 1.00 0.00 H new ATOM 524 N SER A 39 49.854 0.633 10.115 1.00 0.00 N ATOM 525 CA SER A 39 49.837 -0.462 9.158 1.00 0.00 C ATOM 526 C SER A 39 51.182 -1.186 9.105 1.00 0.00 C ATOM 527 O SER A 39 51.226 -2.416 9.138 1.00 0.00 O ATOM 528 CB SER A 39 49.421 0.044 7.775 1.00 0.00 C ATOM 529 OG SER A 39 49.928 1.341 7.535 1.00 0.00 O ATOM 0 H SER A 39 50.395 1.449 9.828 1.00 0.00 H new ATOM 0 HA SER A 39 49.098 -1.190 9.493 1.00 0.00 H new ATOM 0 HB2 SER A 39 49.786 -0.640 7.009 1.00 0.00 H new ATOM 0 HB3 SER A 39 48.334 0.055 7.700 1.00 0.00 H new ATOM 0 HG SER A 39 49.952 1.509 6.570 1.00 0.00 H new ATOM 535 N CYS A 40 52.282 -0.444 9.031 1.00 0.00 N ATOM 536 CA CYS A 40 53.590 -1.079 9.043 1.00 0.00 C ATOM 537 C CYS A 40 54.125 -1.228 10.467 1.00 0.00 C ATOM 538 O CYS A 40 54.674 -2.273 10.809 1.00 0.00 O ATOM 539 CB CYS A 40 54.592 -0.306 8.191 1.00 0.00 C ATOM 540 SG CYS A 40 56.214 -1.138 8.073 1.00 0.00 S ATOM 0 H CYS A 40 52.294 0.574 8.964 1.00 0.00 H new ATOM 0 HA CYS A 40 53.464 -2.073 8.614 1.00 0.00 H new ATOM 0 HB2 CYS A 40 54.184 -0.173 7.189 1.00 0.00 H new ATOM 0 HB3 CYS A 40 54.729 0.689 8.614 1.00 0.00 H new ATOM 545 N ALA A 41 53.989 -0.166 11.273 1.00 0.00 N ATOM 546 CA ALA A 41 54.451 -0.146 12.673 1.00 0.00 C ATOM 547 C ALA A 41 55.981 -0.105 12.783 1.00 0.00 C ATOM 548 O ALA A 41 56.525 0.142 13.856 1.00 0.00 O ATOM 549 CB ALA A 41 53.889 -1.327 13.458 1.00 0.00 C ATOM 0 H ALA A 41 53.555 0.707 10.974 1.00 0.00 H new ATOM 0 HA ALA A 41 54.069 0.775 13.113 1.00 0.00 H new ATOM 0 HB1 ALA A 41 54.248 -1.284 14.486 1.00 0.00 H new ATOM 0 HB2 ALA A 41 52.800 -1.283 13.452 1.00 0.00 H new ATOM 0 HB3 ALA A 41 54.217 -2.259 12.998 1.00 0.00 H new ATOM 555 N TYR A 42 56.651 -0.363 11.667 1.00 0.00 N ATOM 556 CA TYR A 42 58.116 -0.323 11.571 1.00 0.00 C ATOM 557 C TYR A 42 58.846 -1.218 12.592 1.00 0.00 C ATOM 558 O TYR A 42 59.762 -0.758 13.271 1.00 0.00 O ATOM 559 CB TYR A 42 58.625 1.125 11.665 1.00 0.00 C ATOM 560 CG TYR A 42 58.573 1.846 10.337 1.00 0.00 C ATOM 561 CD1 TYR A 42 57.578 1.554 9.422 1.00 0.00 C ATOM 562 CD2 TYR A 42 59.532 2.789 9.982 1.00 0.00 C ATOM 563 CE1 TYR A 42 57.527 2.178 8.200 1.00 0.00 C ATOM 564 CE2 TYR A 42 59.488 3.419 8.753 1.00 0.00 C ATOM 565 CZ TYR A 42 58.482 3.105 7.867 1.00 0.00 C ATOM 566 OH TYR A 42 58.432 3.713 6.638 1.00 0.00 O ATOM 0 H TYR A 42 56.193 -0.609 10.790 1.00 0.00 H new ATOM 0 HA TYR A 42 58.356 -0.737 10.592 1.00 0.00 H new ATOM 0 HB2 TYR A 42 58.026 1.670 12.394 1.00 0.00 H new ATOM 0 HB3 TYR A 42 59.651 1.123 12.033 1.00 0.00 H new ATOM 0 HD1 TYR A 42 56.826 0.821 9.674 1.00 0.00 H new ATOM 0 HD2 TYR A 42 60.322 3.032 10.677 1.00 0.00 H new ATOM 0 HE1 TYR A 42 56.737 1.940 7.503 1.00 0.00 H new ATOM 0 HE2 TYR A 42 60.237 4.152 8.490 1.00 0.00 H new ATOM 0 HH TYR A 42 57.755 3.273 6.082 1.00 0.00 H new ATOM 576 N PRO A 43 58.483 -2.516 12.704 1.00 0.00 N ATOM 577 CA PRO A 43 59.273 -3.485 13.450 1.00 0.00 C ATOM 578 C PRO A 43 60.195 -4.265 12.525 1.00 0.00 C ATOM 579 O PRO A 43 60.993 -5.096 12.958 1.00 0.00 O ATOM 580 CB PRO A 43 58.199 -4.393 14.043 1.00 0.00 C ATOM 581 CG PRO A 43 57.077 -4.374 13.048 1.00 0.00 C ATOM 582 CD PRO A 43 57.265 -3.151 12.171 1.00 0.00 C ATOM 0 HA PRO A 43 59.926 -3.034 14.197 1.00 0.00 H new ATOM 0 HB2 PRO A 43 58.577 -5.405 14.192 1.00 0.00 H new ATOM 0 HB3 PRO A 43 57.869 -4.029 15.016 1.00 0.00 H new ATOM 0 HG2 PRO A 43 57.084 -5.282 12.445 1.00 0.00 H new ATOM 0 HG3 PRO A 43 56.114 -4.336 13.557 1.00 0.00 H new ATOM 0 HD2 PRO A 43 57.384 -3.426 11.123 1.00 0.00 H new ATOM 0 HD3 PRO A 43 56.407 -2.481 12.230 1.00 0.00 H new ATOM 590 N THR A 44 60.070 -3.968 11.245 1.00 0.00 N ATOM 591 CA THR A 44 60.784 -4.675 10.197 1.00 0.00 C ATOM 592 C THR A 44 60.683 -3.893 8.897 1.00 0.00 C ATOM 593 O THR A 44 61.609 -3.881 8.090 1.00 0.00 O ATOM 594 CB THR A 44 60.206 -6.094 9.961 1.00 0.00 C ATOM 595 OG1 THR A 44 60.008 -6.783 11.202 1.00 0.00 O ATOM 596 CG2 THR A 44 61.137 -6.909 9.086 1.00 0.00 C ATOM 0 H THR A 44 59.465 -3.223 10.900 1.00 0.00 H new ATOM 0 HA THR A 44 61.822 -4.771 10.515 1.00 0.00 H new ATOM 0 HB THR A 44 59.244 -5.977 9.462 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.652 -6.456 11.864 1.00 0.00 H new ATOM 0 HG21 THR A 44 60.715 -7.902 8.931 1.00 0.00 H new ATOM 0 HG22 THR A 44 61.259 -6.413 8.123 1.00 0.00 H new ATOM 0 HG23 THR A 44 62.108 -7.000 9.573 1.00 0.00 H new ATOM 604 N CYS A 45 59.529 -3.253 8.721 1.00 0.00 N ATOM 605 CA CYS A 45 59.209 -2.470 7.527 1.00 0.00 C ATOM 606 C CYS A 45 58.839 -3.373 6.370 1.00 0.00 C ATOM 607 O CYS A 45 58.757 -2.930 5.235 1.00 0.00 O ATOM 608 CB CYS A 45 60.344 -1.528 7.115 1.00 0.00 C ATOM 609 SG CYS A 45 60.744 -0.275 8.368 1.00 0.00 S ATOM 0 H CYS A 45 58.779 -3.263 9.412 1.00 0.00 H new ATOM 0 HA CYS A 45 58.351 -1.850 7.788 1.00 0.00 H new ATOM 0 HB2 CYS A 45 61.236 -2.118 6.906 1.00 0.00 H new ATOM 0 HB3 CYS A 45 60.069 -1.026 6.187 1.00 0.00 H new ATOM 614 N PHE A 46 58.579 -4.636 6.666 1.00 0.00 N ATOM 615 CA PHE A 46 58.165 -5.575 5.640 1.00 0.00 C ATOM 616 C PHE A 46 56.789 -6.138 5.969 1.00 0.00 C ATOM 617 O PHE A 46 56.679 -7.188 6.598 1.00 0.00 O ATOM 618 CB PHE A 46 59.185 -6.715 5.514 1.00 0.00 C ATOM 619 CG PHE A 46 59.040 -7.582 4.291 1.00 0.00 C ATOM 620 CD1 PHE A 46 57.825 -8.162 3.948 1.00 0.00 C ATOM 621 CD2 PHE A 46 60.142 -7.842 3.496 1.00 0.00 C ATOM 622 CE1 PHE A 46 57.717 -8.973 2.842 1.00 0.00 C ATOM 623 CE2 PHE A 46 60.039 -8.651 2.384 1.00 0.00 C ATOM 624 CZ PHE A 46 58.823 -9.219 2.057 1.00 0.00 C ATOM 0 H PHE A 46 58.647 -5.032 7.604 1.00 0.00 H new ATOM 0 HA PHE A 46 58.113 -5.048 4.687 1.00 0.00 H new ATOM 0 HB2 PHE A 46 60.187 -6.285 5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 46 59.108 -7.348 6.398 1.00 0.00 H new ATOM 0 HD1 PHE A 46 56.954 -7.974 4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 46 61.097 -7.405 3.750 1.00 0.00 H new ATOM 0 HE1 PHE A 46 56.766 -9.417 2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 46 60.907 -8.840 1.770 1.00 0.00 H new ATOM 0 HZ PHE A 46 58.739 -9.855 1.188 1.00 0.00 H new ATOM 634 N PRO A 47 55.719 -5.418 5.612 1.00 0.00 N ATOM 635 CA PRO A 47 54.376 -5.973 5.636 1.00 0.00 C ATOM 636 C PRO A 47 54.137 -6.794 4.384 1.00 0.00 C ATOM 637 O PRO A 47 53.586 -7.892 4.426 1.00 0.00 O ATOM 638 CB PRO A 47 53.458 -4.738 5.665 1.00 0.00 C ATOM 639 CG PRO A 47 54.364 -3.543 5.689 1.00 0.00 C ATOM 640 CD PRO A 47 55.708 -4.010 5.203 1.00 0.00 C ATOM 0 HA PRO A 47 54.201 -6.635 6.484 1.00 0.00 H new ATOM 0 HB2 PRO A 47 52.808 -4.716 4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 47 52.812 -4.754 6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 47 53.976 -2.750 5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 47 54.438 -3.133 6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 47 55.810 -3.900 4.123 1.00 0.00 H new ATOM 0 HD3 PRO A 47 56.523 -3.448 5.659 1.00 0.00 H new ATOM 648 N LEU A 48 54.610 -6.248 3.276 1.00 0.00 N ATOM 649 CA LEU A 48 54.423 -6.836 1.958 1.00 0.00 C ATOM 650 C LEU A 48 55.454 -6.298 0.973 1.00 0.00 C ATOM 651 O LEU A 48 55.336 -5.161 0.517 1.00 0.00 O ATOM 652 CB LEU A 48 53.018 -6.530 1.440 1.00 0.00 C ATOM 653 CG LEU A 48 51.891 -7.319 2.112 1.00 0.00 C ATOM 654 CD1 LEU A 48 50.575 -6.576 1.996 1.00 0.00 C ATOM 655 CD2 LEU A 48 51.772 -8.701 1.491 1.00 0.00 C ATOM 0 H LEU A 48 55.139 -5.376 3.265 1.00 0.00 H new ATOM 0 HA LEU A 48 54.552 -7.915 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 48 52.823 -5.466 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 48 52.991 -6.729 0.369 1.00 0.00 H new ATOM 0 HG LEU A 48 52.132 -7.429 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 48 49.787 -7.154 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 48 50.662 -5.604 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 48 50.328 -6.436 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 48 50.967 -9.251 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 48 51.553 -8.604 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 48 52.710 -9.240 1.621 1.00 0.00 H new ATOM 667 N THR A 49 56.476 -7.110 0.694 1.00 0.00 N ATOM 668 CA THR A 49 57.489 -6.812 -0.327 1.00 0.00 C ATOM 669 C THR A 49 58.142 -5.454 -0.096 1.00 0.00 C ATOM 670 O THR A 49 57.764 -4.449 -0.697 1.00 0.00 O ATOM 671 CB THR A 49 56.928 -6.897 -1.767 1.00 0.00 C ATOM 672 OG1 THR A 49 55.752 -6.091 -1.909 1.00 0.00 O ATOM 673 CG2 THR A 49 56.606 -8.339 -2.134 1.00 0.00 C ATOM 0 H THR A 49 56.627 -7.999 1.172 1.00 0.00 H new ATOM 0 HA THR A 49 58.251 -7.585 -0.225 1.00 0.00 H new ATOM 0 HB THR A 49 57.695 -6.519 -2.443 1.00 0.00 H new ATOM 0 HG1 THR A 49 55.737 -5.408 -1.207 1.00 0.00 H new ATOM 0 HG21 THR A 49 56.213 -8.377 -3.150 1.00 0.00 H new ATOM 0 HG22 THR A 49 57.513 -8.941 -2.073 1.00 0.00 H new ATOM 0 HG23 THR A 49 55.862 -8.733 -1.442 1.00 0.00 H new ATOM 681 N GLN A 50 59.136 -5.442 0.777 1.00 0.00 N ATOM 682 CA GLN A 50 59.772 -4.211 1.212 1.00 0.00 C ATOM 683 C GLN A 50 61.233 -4.469 1.535 1.00 0.00 C ATOM 684 O GLN A 50 61.670 -5.619 1.582 1.00 0.00 O ATOM 685 CB GLN A 50 59.082 -3.678 2.463 1.00 0.00 C ATOM 686 CG GLN A 50 57.642 -3.242 2.258 1.00 0.00 C ATOM 687 CD GLN A 50 57.523 -1.949 1.477 1.00 0.00 C ATOM 688 OE1 GLN A 50 56.536 -1.722 0.784 1.00 0.00 O ATOM 689 NE2 GLN A 50 58.528 -1.097 1.593 1.00 0.00 N ATOM 0 H GLN A 50 59.524 -6.284 1.203 1.00 0.00 H new ATOM 0 HA GLN A 50 59.693 -3.479 0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 50 59.107 -4.450 3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 50 59.653 -2.831 2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 50 57.101 -4.029 1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 50 57.163 -3.119 3.229 1.00 0.00 H new ATOM 0 HE21 GLN A 50 59.328 -1.329 2.181 1.00 0.00 H new ATOM 0 HE22 GLN A 50 58.503 -0.208 1.094 1.00 0.00 H new ATOM 698 N PHE A 51 61.974 -3.403 1.768 1.00 0.00 N ATOM 699 CA PHE A 51 63.362 -3.507 2.179 1.00 0.00 C ATOM 700 C PHE A 51 63.634 -2.533 3.316 1.00 0.00 C ATOM 701 O PHE A 51 62.991 -1.491 3.415 1.00 0.00 O ATOM 702 CB PHE A 51 64.286 -3.207 1.000 1.00 0.00 C ATOM 703 CG PHE A 51 65.729 -3.538 1.259 1.00 0.00 C ATOM 704 CD1 PHE A 51 66.214 -4.810 1.003 1.00 0.00 C ATOM 705 CD2 PHE A 51 66.600 -2.578 1.744 1.00 0.00 C ATOM 706 CE1 PHE A 51 67.540 -5.120 1.229 1.00 0.00 C ATOM 707 CE2 PHE A 51 67.928 -2.881 1.973 1.00 0.00 C ATOM 708 CZ PHE A 51 68.397 -4.155 1.715 1.00 0.00 C ATOM 0 H PHE A 51 61.634 -2.445 1.679 1.00 0.00 H new ATOM 0 HA PHE A 51 63.555 -4.523 2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 51 63.945 -3.769 0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 51 64.205 -2.150 0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 51 65.546 -5.569 0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 51 66.237 -1.581 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 51 67.905 -6.116 1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 51 68.598 -2.124 2.353 1.00 0.00 H new ATOM 0 HZ PHE A 51 69.435 -4.395 1.894 1.00 0.00 H new ATOM 718 N THR A 52 64.583 -2.867 4.167 1.00 0.00 N ATOM 719 CA THR A 52 64.940 -2.005 5.273 1.00 0.00 C ATOM 720 C THR A 52 66.296 -1.356 5.010 1.00 0.00 C ATOM 721 O THR A 52 67.337 -1.987 5.194 1.00 0.00 O ATOM 722 CB THR A 52 64.998 -2.805 6.587 1.00 0.00 C ATOM 723 OG1 THR A 52 63.930 -3.761 6.612 1.00 0.00 O ATOM 724 CG2 THR A 52 64.885 -1.880 7.790 1.00 0.00 C ATOM 0 H THR A 52 65.121 -3.732 4.113 1.00 0.00 H new ATOM 0 HA THR A 52 64.178 -1.231 5.366 1.00 0.00 H new ATOM 0 HB THR A 52 65.957 -3.321 6.638 1.00 0.00 H new ATOM 0 HG1 THR A 52 63.266 -3.492 7.280 1.00 0.00 H new ATOM 0 HG21 THR A 52 64.928 -2.468 8.707 1.00 0.00 H new ATOM 0 HG22 THR A 52 65.708 -1.165 7.778 1.00 0.00 H new ATOM 0 HG23 THR A 52 63.937 -1.343 7.748 1.00 0.00 H new ATOM 732 N CYS A 53 66.276 -0.118 4.520 1.00 0.00 N ATOM 733 CA CYS A 53 67.511 0.624 4.269 1.00 0.00 C ATOM 734 C CYS A 53 68.353 0.726 5.539 1.00 0.00 C ATOM 735 O CYS A 53 67.826 0.980 6.620 1.00 0.00 O ATOM 736 CB CYS A 53 67.190 2.016 3.749 1.00 0.00 C ATOM 737 SG CYS A 53 68.642 2.944 3.178 1.00 0.00 S ATOM 0 H CYS A 53 65.423 0.391 4.290 1.00 0.00 H new ATOM 0 HA CYS A 53 68.085 0.083 3.516 1.00 0.00 H new ATOM 0 HB2 CYS A 53 66.480 1.931 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 53 66.697 2.583 4.539 1.00 0.00 H new ATOM 742 N ASN A 54 69.661 0.540 5.399 1.00 0.00 N ATOM 743 CA ASN A 54 70.561 0.520 6.550 1.00 0.00 C ATOM 744 C ASN A 54 70.592 1.878 7.252 1.00 0.00 C ATOM 745 O ASN A 54 70.699 1.945 8.476 1.00 0.00 O ATOM 746 CB ASN A 54 71.980 0.107 6.123 1.00 0.00 C ATOM 747 CG ASN A 54 72.866 1.289 5.775 1.00 0.00 C ATOM 748 OD1 ASN A 54 73.634 1.769 6.606 1.00 0.00 O ATOM 749 ND2 ASN A 54 72.750 1.776 4.553 1.00 0.00 N ATOM 0 H ASN A 54 70.123 0.401 4.500 1.00 0.00 H new ATOM 0 HA ASN A 54 70.180 -0.218 7.256 1.00 0.00 H new ATOM 0 HB2 ASN A 54 72.444 -0.462 6.929 1.00 0.00 H new ATOM 0 HB3 ASN A 54 71.915 -0.556 5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 54 73.310 2.580 4.269 1.00 0.00 H new ATOM 0 HD22 ASN A 54 72.101 1.348 3.893 1.00 0.00 H new ATOM 756 N ASN A 55 70.469 2.955 6.479 1.00 0.00 N ATOM 757 CA ASN A 55 70.588 4.296 7.025 1.00 0.00 C ATOM 758 C ASN A 55 69.229 4.844 7.483 1.00 0.00 C ATOM 759 O ASN A 55 68.856 5.981 7.182 1.00 0.00 O ATOM 760 CB ASN A 55 71.257 5.217 5.999 1.00 0.00 C ATOM 761 CG ASN A 55 71.677 6.555 6.590 1.00 0.00 C ATOM 762 OD1 ASN A 55 71.805 6.704 7.806 1.00 0.00 O ATOM 763 ND2 ASN A 55 71.950 7.521 5.729 1.00 0.00 N ATOM 0 H ASN A 55 70.287 2.921 5.476 1.00 0.00 H new ATOM 0 HA ASN A 55 71.219 4.255 7.913 1.00 0.00 H new ATOM 0 HB2 ASN A 55 72.133 4.717 5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 55 70.569 5.391 5.171 1.00 0.00 H new ATOM 0 HD21 ASN A 55 72.279 8.426 6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 55 71.832 7.361 4.729 1.00 0.00 H new ATOM 770 N GLY A 56 68.475 4.005 8.183 1.00 0.00 N ATOM 771 CA GLY A 56 67.312 4.467 8.913 1.00 0.00 C ATOM 772 C GLY A 56 66.029 4.387 8.118 1.00 0.00 C ATOM 773 O GLY A 56 64.941 4.460 8.686 1.00 0.00 O ATOM 0 H GLY A 56 68.652 3.003 8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 56 67.204 3.875 9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 56 67.474 5.499 9.223 1.00 0.00 H new ATOM 777 N ARG A 57 66.143 4.241 6.811 1.00 0.00 N ATOM 778 CA ARG A 57 64.970 4.248 5.960 1.00 0.00 C ATOM 779 C ARG A 57 64.430 2.842 5.763 1.00 0.00 C ATOM 780 O ARG A 57 65.098 1.861 6.064 1.00 0.00 O ATOM 781 CB ARG A 57 65.303 4.840 4.596 1.00 0.00 C ATOM 782 CG ARG A 57 66.120 6.108 4.659 1.00 0.00 C ATOM 783 CD ARG A 57 66.911 6.276 3.381 1.00 0.00 C ATOM 784 NE ARG A 57 67.872 7.369 3.460 1.00 0.00 N ATOM 785 CZ ARG A 57 69.170 7.218 3.215 1.00 0.00 C ATOM 786 NH1 ARG A 57 69.641 6.035 2.844 1.00 0.00 N ATOM 787 NH2 ARG A 57 69.994 8.252 3.313 1.00 0.00 N ATOM 0 H ARG A 57 67.028 4.117 6.320 1.00 0.00 H new ATOM 0 HA ARG A 57 64.213 4.858 6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 57 65.848 4.098 4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 57 64.374 5.045 4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 57 65.464 6.966 4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 57 66.796 6.073 5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 57 67.438 5.348 3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 57 66.225 6.459 2.554 1.00 0.00 H new ATOM 0 HE ARG A 57 67.532 8.296 3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 57 69.007 5.242 2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 57 70.637 5.919 2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 57 69.633 9.169 3.577 1.00 0.00 H new ATOM 0 HH22 ARG A 57 70.989 8.131 3.124 1.00 0.00 H new ATOM 801 N CYS A 58 63.230 2.757 5.235 1.00 0.00 N ATOM 802 CA CYS A 58 62.675 1.495 4.789 1.00 0.00 C ATOM 803 C CYS A 58 62.124 1.690 3.391 1.00 0.00 C ATOM 804 O CYS A 58 61.184 2.450 3.201 1.00 0.00 O ATOM 805 CB CYS A 58 61.587 1.024 5.748 1.00 0.00 C ATOM 806 SG CYS A 58 62.178 0.837 7.465 1.00 0.00 S ATOM 0 H CYS A 58 62.611 3.557 5.102 1.00 0.00 H new ATOM 0 HA CYS A 58 63.448 0.726 4.773 1.00 0.00 H new ATOM 0 HB2 CYS A 58 60.762 1.736 5.730 1.00 0.00 H new ATOM 0 HB3 CYS A 58 61.192 0.069 5.400 1.00 0.00 H new ATOM 811 N ILE A 59 62.724 1.035 2.405 1.00 0.00 N ATOM 812 CA ILE A 59 62.426 1.378 1.024 1.00 0.00 C ATOM 813 C ILE A 59 61.645 0.285 0.298 1.00 0.00 C ATOM 814 O ILE A 59 61.603 -0.871 0.727 1.00 0.00 O ATOM 815 CB ILE A 59 63.688 1.726 0.195 1.00 0.00 C ATOM 816 CG1 ILE A 59 64.579 0.495 -0.022 1.00 0.00 C ATOM 817 CG2 ILE A 59 64.475 2.843 0.866 1.00 0.00 C ATOM 818 CD1 ILE A 59 65.688 0.720 -1.033 1.00 0.00 C ATOM 0 H ILE A 59 63.402 0.283 2.531 1.00 0.00 H new ATOM 0 HA ILE A 59 61.803 2.269 1.098 1.00 0.00 H new ATOM 0 HB ILE A 59 63.356 2.070 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 59 65.021 0.204 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 59 63.959 -0.338 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 59 65.358 3.075 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 59 63.849 3.731 0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 59 64.783 2.524 1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 59 66.277 -0.191 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 59 65.253 0.982 -1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 59 66.331 1.532 -0.693 1.00 0.00 H new ATOM 830 N ASN A 60 61.013 0.695 -0.791 1.00 0.00 N ATOM 831 CA ASN A 60 60.326 -0.195 -1.722 1.00 0.00 C ATOM 832 C ASN A 60 61.254 -1.318 -2.197 1.00 0.00 C ATOM 833 O ASN A 60 62.409 -1.078 -2.551 1.00 0.00 O ATOM 834 CB ASN A 60 59.840 0.641 -2.915 1.00 0.00 C ATOM 835 CG ASN A 60 58.932 -0.103 -3.878 1.00 0.00 C ATOM 836 OD1 ASN A 60 59.017 -1.313 -4.038 1.00 0.00 O ATOM 837 ND2 ASN A 60 58.055 0.631 -4.542 1.00 0.00 N ATOM 0 H ASN A 60 60.961 1.677 -1.061 1.00 0.00 H new ATOM 0 HA ASN A 60 59.479 -0.664 -1.221 1.00 0.00 H new ATOM 0 HB2 ASN A 60 59.310 1.515 -2.538 1.00 0.00 H new ATOM 0 HB3 ASN A 60 60.708 1.007 -3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 60 57.424 0.190 -5.211 1.00 0.00 H new ATOM 0 HD22 ASN A 60 58.010 1.638 -4.385 1.00 0.00 H new ATOM 844 N ILE A 61 60.734 -2.542 -2.215 1.00 0.00 N ATOM 845 CA ILE A 61 61.517 -3.710 -2.612 1.00 0.00 C ATOM 846 C ILE A 61 61.789 -3.692 -4.124 1.00 0.00 C ATOM 847 O ILE A 61 62.746 -4.290 -4.611 1.00 0.00 O ATOM 848 CB ILE A 61 60.783 -5.020 -2.199 1.00 0.00 C ATOM 849 CG1 ILE A 61 61.778 -6.091 -1.714 1.00 0.00 C ATOM 850 CG2 ILE A 61 59.919 -5.564 -3.337 1.00 0.00 C ATOM 851 CD1 ILE A 61 62.682 -6.656 -2.790 1.00 0.00 C ATOM 0 H ILE A 61 59.769 -2.752 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 61 62.476 -3.675 -2.095 1.00 0.00 H new ATOM 0 HB ILE A 61 60.123 -4.769 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.398 -5.660 -0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.217 -6.910 -1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 61 59.423 -6.478 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 61 59.169 -4.822 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 61 60.548 -5.780 -4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.346 -7.401 -2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.076 -7.121 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.276 -5.852 -3.226 1.00 0.00 H new ATOM 863 N ASN A 62 60.966 -2.949 -4.848 1.00 0.00 N ATOM 864 CA ASN A 62 61.005 -2.932 -6.310 1.00 0.00 C ATOM 865 C ASN A 62 62.040 -1.922 -6.813 1.00 0.00 C ATOM 866 O ASN A 62 61.955 -1.422 -7.929 1.00 0.00 O ATOM 867 CB ASN A 62 59.602 -2.609 -6.857 1.00 0.00 C ATOM 868 CG ASN A 62 59.432 -2.917 -8.338 1.00 0.00 C ATOM 869 OD1 ASN A 62 59.582 -2.049 -9.195 1.00 0.00 O ATOM 870 ND2 ASN A 62 59.090 -4.158 -8.647 1.00 0.00 N ATOM 0 H ASN A 62 60.253 -2.341 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 62 61.305 -3.915 -6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 62 58.863 -3.175 -6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 62 59.391 -1.553 -6.689 1.00 0.00 H new ATOM 0 HD21 ASN A 62 58.943 -4.419 -9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 62 58.974 -4.854 -7.910 1.00 0.00 H new ATOM 877 N TRP A 63 63.046 -1.651 -5.993 1.00 0.00 N ATOM 878 CA TRP A 63 64.126 -0.756 -6.395 1.00 0.00 C ATOM 879 C TRP A 63 65.388 -1.566 -6.670 1.00 0.00 C ATOM 880 O TRP A 63 66.480 -1.016 -6.890 1.00 0.00 O ATOM 881 CB TRP A 63 64.380 0.303 -5.321 1.00 0.00 C ATOM 882 CG TRP A 63 63.270 1.309 -5.200 1.00 0.00 C ATOM 883 CD1 TRP A 63 62.096 1.335 -5.898 1.00 0.00 C ATOM 884 CD2 TRP A 63 63.238 2.442 -4.328 1.00 0.00 C ATOM 885 NE1 TRP A 63 61.338 2.411 -5.509 1.00 0.00 N ATOM 886 CE2 TRP A 63 62.019 3.109 -4.546 1.00 0.00 C ATOM 887 CE3 TRP A 63 64.125 2.957 -3.388 1.00 0.00 C ATOM 888 CZ2 TRP A 63 61.667 4.264 -3.854 1.00 0.00 C ATOM 889 CZ3 TRP A 63 63.776 4.101 -2.696 1.00 0.00 C ATOM 890 CH2 TRP A 63 62.556 4.745 -2.933 1.00 0.00 C ATOM 0 H TRP A 63 63.138 -2.034 -5.052 1.00 0.00 H new ATOM 0 HA TRP A 63 63.835 -0.238 -7.309 1.00 0.00 H new ATOM 0 HB2 TRP A 63 64.519 -0.191 -4.359 1.00 0.00 H new ATOM 0 HB3 TRP A 63 65.310 0.825 -5.548 1.00 0.00 H new ATOM 0 HD1 TRP A 63 61.806 0.613 -6.647 1.00 0.00 H new ATOM 0 HE1 TRP A 63 60.418 2.652 -5.877 1.00 0.00 H new ATOM 0 HE3 TRP A 63 65.071 2.470 -3.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 60.726 4.762 -4.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 64.456 4.505 -1.960 1.00 0.00 H new ATOM 0 HH2 TRP A 63 62.312 5.639 -2.378 1.00 0.00 H new ATOM 901 N ARG A 64 65.217 -2.889 -6.624 1.00 0.00 N ATOM 902 CA ARG A 64 66.266 -3.829 -7.002 1.00 0.00 C ATOM 903 C ARG A 64 66.634 -3.611 -8.465 1.00 0.00 C ATOM 904 O ARG A 64 65.912 -4.041 -9.363 1.00 0.00 O ATOM 905 CB ARG A 64 65.800 -5.280 -6.802 1.00 0.00 C ATOM 906 CG ARG A 64 65.428 -5.641 -5.370 1.00 0.00 C ATOM 907 CD ARG A 64 66.663 -5.902 -4.531 1.00 0.00 C ATOM 908 NE ARG A 64 66.348 -6.264 -3.156 1.00 0.00 N ATOM 909 CZ ARG A 64 67.109 -7.072 -2.419 1.00 0.00 C ATOM 910 NH1 ARG A 64 68.167 -7.671 -2.957 1.00 0.00 N ATOM 911 NH2 ARG A 64 66.815 -7.292 -1.145 1.00 0.00 N ATOM 0 H ARG A 64 64.350 -3.334 -6.324 1.00 0.00 H new ATOM 0 HA ARG A 64 67.135 -3.655 -6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 64 64.937 -5.461 -7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 64 66.592 -5.950 -7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 64 64.849 -4.831 -4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 64 64.791 -6.526 -5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 64 67.244 -6.703 -4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 64 67.292 -5.012 -4.532 1.00 0.00 H new ATOM 0 HE ARG A 64 65.502 -5.879 -2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 64 68.399 -7.513 -3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 64 68.747 -8.289 -2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 64 66.002 -6.842 -0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 64 67.401 -7.912 -0.586 1.00 0.00 H new ATOM 925 N CYS A 65 67.739 -2.926 -8.698 1.00 0.00 N ATOM 926 CA CYS A 65 68.137 -2.579 -10.052 1.00 0.00 C ATOM 927 C CYS A 65 69.008 -3.671 -10.652 1.00 0.00 C ATOM 928 O CYS A 65 68.657 -4.304 -11.651 1.00 0.00 O ATOM 929 CB CYS A 65 68.872 -1.235 -10.047 1.00 0.00 C ATOM 930 SG CYS A 65 69.410 -0.668 -11.690 1.00 0.00 S ATOM 0 H CYS A 65 68.375 -2.600 -7.971 1.00 0.00 H new ATOM 0 HA CYS A 65 67.245 -2.488 -10.671 1.00 0.00 H new ATOM 0 HB2 CYS A 65 68.219 -0.479 -9.611 1.00 0.00 H new ATOM 0 HB3 CYS A 65 69.745 -1.314 -9.399 1.00 0.00 H new ATOM 0 HG CYS A 65 70.018 0.476 -11.577 1.00 0.00 H new ATOM 935 N ASP A 66 70.127 -3.894 -10.010 1.00 0.00 N ATOM 936 CA ASP A 66 71.106 -4.876 -10.446 1.00 0.00 C ATOM 937 C ASP A 66 70.950 -6.171 -9.657 1.00 0.00 C ATOM 938 O ASP A 66 70.818 -7.256 -10.226 1.00 0.00 O ATOM 939 CB ASP A 66 72.517 -4.307 -10.249 1.00 0.00 C ATOM 940 CG ASP A 66 72.782 -3.948 -8.798 1.00 0.00 C ATOM 941 OD1 ASP A 66 71.929 -3.249 -8.195 1.00 0.00 O ATOM 942 OD2 ASP A 66 73.803 -4.407 -8.248 1.00 0.00 O ATOM 0 H ASP A 66 70.393 -3.397 -9.160 1.00 0.00 H new ATOM 0 HA ASP A 66 70.945 -5.096 -11.501 1.00 0.00 H new ATOM 0 HB2 ASP A 66 73.254 -5.038 -10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 66 72.642 -3.421 -10.871 1.00 0.00 H new ATOM 947 N ASN A 67 70.955 -6.046 -8.340 1.00 0.00 N ATOM 948 CA ASN A 67 70.820 -7.182 -7.458 1.00 0.00 C ATOM 949 C ASN A 67 70.095 -6.764 -6.191 1.00 0.00 C ATOM 950 O ASN A 67 69.205 -7.469 -5.709 1.00 0.00 O ATOM 951 CB ASN A 67 72.191 -7.771 -7.109 1.00 0.00 C ATOM 952 CG ASN A 67 72.094 -9.079 -6.336 1.00 0.00 C ATOM 953 OD1 ASN A 67 72.940 -9.382 -5.496 1.00 0.00 O ATOM 954 ND2 ASN A 67 71.077 -9.880 -6.632 1.00 0.00 N ATOM 0 H ASN A 67 71.053 -5.153 -7.857 1.00 0.00 H new ATOM 0 HA ASN A 67 70.241 -7.950 -7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 67 72.753 -7.938 -8.028 1.00 0.00 H new ATOM 0 HB3 ASN A 67 72.753 -7.047 -6.519 1.00 0.00 H new ATOM 0 HD21 ASN A 67 70.980 -10.778 -6.157 1.00 0.00 H new ATOM 0 HD22 ASN A 67 70.393 -9.598 -7.334 1.00 0.00 H new ATOM 961 N ASP A 68 70.467 -5.609 -5.651 1.00 0.00 N ATOM 962 CA ASP A 68 69.798 -5.089 -4.472 1.00 0.00 C ATOM 963 C ASP A 68 69.096 -3.772 -4.810 1.00 0.00 C ATOM 964 O ASP A 68 69.200 -3.281 -5.936 1.00 0.00 O ATOM 965 CB ASP A 68 70.772 -4.922 -3.307 1.00 0.00 C ATOM 966 CG ASP A 68 70.098 -5.188 -1.969 1.00 0.00 C ATOM 967 OD1 ASP A 68 69.267 -4.363 -1.544 1.00 0.00 O ATOM 968 OD2 ASP A 68 70.366 -6.251 -1.365 1.00 0.00 O ATOM 0 H ASP A 68 71.221 -5.022 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 68 69.045 -5.810 -4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 68 71.612 -5.605 -3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 68 71.179 -3.911 -3.315 1.00 0.00 H new ATOM 973 N ASN A 69 68.379 -3.205 -3.846 1.00 0.00 N ATOM 974 CA ASN A 69 67.468 -2.092 -4.128 1.00 0.00 C ATOM 975 C ASN A 69 68.004 -0.763 -3.620 1.00 0.00 C ATOM 976 O ASN A 69 68.229 -0.576 -2.426 1.00 0.00 O ATOM 977 CB ASN A 69 66.064 -2.372 -3.568 1.00 0.00 C ATOM 978 CG ASN A 69 66.064 -3.040 -2.212 1.00 0.00 C ATOM 979 OD1 ASN A 69 65.209 -3.885 -1.932 1.00 0.00 O ATOM 980 ND2 ASN A 69 66.996 -2.663 -1.357 1.00 0.00 N ATOM 0 H ASN A 69 68.407 -3.492 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 69 67.394 -2.010 -5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 69 65.518 -1.431 -3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 69 65.522 -3.003 -4.272 1.00 0.00 H new ATOM 0 HD21 ASN A 69 67.028 -3.074 -0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 69 67.684 -1.961 -1.629 1.00 0.00 H new ATOM 987 N ASP A 70 68.163 0.153 -4.560 1.00 0.00 N ATOM 988 CA ASP A 70 68.864 1.416 -4.349 1.00 0.00 C ATOM 989 C ASP A 70 68.325 2.233 -3.182 1.00 0.00 C ATOM 990 O ASP A 70 67.135 2.532 -3.113 1.00 0.00 O ATOM 991 CB ASP A 70 68.736 2.255 -5.598 1.00 0.00 C ATOM 992 CG ASP A 70 70.038 2.918 -5.987 1.00 0.00 C ATOM 993 OD1 ASP A 70 70.517 3.793 -5.228 1.00 0.00 O ATOM 994 OD2 ASP A 70 70.581 2.557 -7.055 1.00 0.00 O ATOM 0 H ASP A 70 67.804 0.042 -5.508 1.00 0.00 H new ATOM 0 HA ASP A 70 69.898 1.161 -4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 70 68.392 1.627 -6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 70 67.975 3.020 -5.442 1.00 0.00 H new ATOM 999 N CYS A 71 69.210 2.614 -2.276 1.00 0.00 N ATOM 1000 CA CYS A 71 68.840 3.521 -1.205 1.00 0.00 C ATOM 1001 C CYS A 71 69.809 4.703 -1.119 1.00 0.00 C ATOM 1002 O CYS A 71 69.764 5.485 -0.170 1.00 0.00 O ATOM 1003 CB CYS A 71 68.781 2.791 0.134 1.00 0.00 C ATOM 1004 SG CYS A 71 67.984 3.769 1.452 1.00 0.00 S ATOM 0 H CYS A 71 70.184 2.311 -2.261 1.00 0.00 H new ATOM 0 HA CYS A 71 67.847 3.908 -1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 71 68.238 1.855 0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 71 69.793 2.532 0.444 1.00 0.00 H new ATOM 1009 N GLY A 72 70.682 4.840 -2.110 1.00 0.00 N ATOM 1010 CA GLY A 72 71.525 6.021 -2.185 1.00 0.00 C ATOM 1011 C GLY A 72 72.893 5.881 -1.525 1.00 0.00 C ATOM 1012 O GLY A 72 73.910 6.174 -2.149 1.00 0.00 O ATOM 0 H GLY A 72 70.822 4.161 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.669 6.280 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 72 70.998 6.855 -1.721 1.00 0.00 H new ATOM 1016 N ASP A 73 72.940 5.444 -0.268 1.00 0.00 N ATOM 1017 CA ASP A 73 74.204 5.431 0.473 1.00 0.00 C ATOM 1018 C ASP A 73 74.715 4.018 0.747 1.00 0.00 C ATOM 1019 O ASP A 73 74.816 3.590 1.897 1.00 0.00 O ATOM 1020 CB ASP A 73 74.103 6.235 1.781 1.00 0.00 C ATOM 1021 CG ASP A 73 72.767 6.097 2.483 1.00 0.00 C ATOM 1022 OD1 ASP A 73 72.156 5.007 2.430 1.00 0.00 O ATOM 1023 OD2 ASP A 73 72.300 7.098 3.066 1.00 0.00 O ATOM 0 H ASP A 73 72.134 5.099 0.253 1.00 0.00 H new ATOM 0 HA ASP A 73 74.936 5.916 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 73 74.894 5.911 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 73 74.282 7.288 1.564 1.00 0.00 H new ATOM 1028 N ASN A 74 75.020 3.302 -0.334 1.00 0.00 N ATOM 1029 CA ASN A 74 75.734 2.014 -0.276 1.00 0.00 C ATOM 1030 C ASN A 74 75.041 0.988 0.622 1.00 0.00 C ATOM 1031 O ASN A 74 75.676 0.051 1.099 1.00 0.00 O ATOM 1032 CB ASN A 74 77.178 2.221 0.205 1.00 0.00 C ATOM 1033 CG ASN A 74 78.052 2.966 -0.793 1.00 0.00 C ATOM 1034 OD1 ASN A 74 78.951 3.713 -0.406 1.00 0.00 O ATOM 1035 ND2 ASN A 74 77.820 2.755 -2.082 1.00 0.00 N ATOM 0 H ASN A 74 74.781 3.594 -1.281 1.00 0.00 H new ATOM 0 HA ASN A 74 75.731 1.616 -1.291 1.00 0.00 H new ATOM 0 HB2 ASN A 74 77.163 2.773 1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 74 77.626 1.249 0.413 1.00 0.00 H new ATOM 0 HD21 ASN A 74 78.395 3.218 -2.786 1.00 0.00 H new ATOM 0 HD22 ASN A 74 77.067 2.130 -2.369 1.00 0.00 H new ATOM 1042 N SER A 75 73.747 1.156 0.835 1.00 0.00 N ATOM 1043 CA SER A 75 72.977 0.217 1.635 1.00 0.00 C ATOM 1044 C SER A 75 72.907 -1.119 0.925 1.00 0.00 C ATOM 1045 O SER A 75 73.337 -2.155 1.426 1.00 0.00 O ATOM 1046 CB SER A 75 71.567 0.769 1.843 1.00 0.00 C ATOM 1047 OG SER A 75 70.849 0.016 2.808 1.00 0.00 O ATOM 0 H SER A 75 73.205 1.937 0.464 1.00 0.00 H new ATOM 0 HA SER A 75 73.459 0.080 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 75 71.626 1.809 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 75 71.027 0.757 0.896 1.00 0.00 H new ATOM 0 HG SER A 75 69.971 -0.226 2.447 1.00 0.00 H new ATOM 1053 N ASP A 76 72.331 -1.039 -0.237 1.00 0.00 N ATOM 1054 CA ASP A 76 72.215 -2.130 -1.180 1.00 0.00 C ATOM 1055 C ASP A 76 73.507 -2.256 -1.974 1.00 0.00 C ATOM 1056 O ASP A 76 74.182 -3.288 -1.971 1.00 0.00 O ATOM 1057 CB ASP A 76 71.060 -1.772 -2.117 1.00 0.00 C ATOM 1058 CG ASP A 76 71.118 -0.302 -2.530 1.00 0.00 C ATOM 1059 OD1 ASP A 76 70.913 0.582 -1.657 1.00 0.00 O ATOM 1060 OD2 ASP A 76 71.423 -0.020 -3.697 1.00 0.00 O ATOM 0 H ASP A 76 71.907 -0.175 -0.576 1.00 0.00 H new ATOM 0 HA ASP A 76 72.033 -3.078 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 76 71.099 -2.404 -3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.110 -1.976 -1.622 1.00 0.00 H new ATOM 1065 N GLU A 77 73.831 -1.152 -2.616 1.00 0.00 N ATOM 1066 CA GLU A 77 74.997 -1.001 -3.462 1.00 0.00 C ATOM 1067 C GLU A 77 75.086 0.457 -3.869 1.00 0.00 C ATOM 1068 O GLU A 77 76.164 1.059 -3.849 1.00 0.00 O ATOM 1069 CB GLU A 77 74.941 -1.942 -4.688 1.00 0.00 C ATOM 1070 CG GLU A 77 73.654 -1.878 -5.519 1.00 0.00 C ATOM 1071 CD GLU A 77 73.679 -0.818 -6.613 1.00 0.00 C ATOM 1072 OE1 GLU A 77 74.783 -0.362 -6.985 1.00 0.00 O ATOM 1073 OE2 GLU A 77 72.592 -0.433 -7.100 1.00 0.00 O ATOM 0 H GLU A 77 73.268 -0.303 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 77 75.895 -1.287 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 77 75.784 -1.710 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 77 75.078 -2.967 -4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.478 -2.853 -5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 77 72.813 -1.681 -4.854 1.00 0.00 H new ATOM 1080 N ALA A 78 73.908 1.022 -4.131 1.00 0.00 N ATOM 1081 CA ALA A 78 73.745 2.423 -4.502 1.00 0.00 C ATOM 1082 C ALA A 78 74.619 2.818 -5.681 1.00 0.00 C ATOM 1083 O ALA A 78 75.748 3.288 -5.502 1.00 0.00 O ATOM 1084 CB ALA A 78 74.025 3.319 -3.314 1.00 0.00 C ATOM 0 H ALA A 78 73.027 0.509 -4.090 1.00 0.00 H new ATOM 0 HA ALA A 78 72.709 2.553 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 78 73.899 4.361 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 78 73.331 3.082 -2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 78 75.047 3.159 -2.971 1.00 0.00 H new