USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 732 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 83 SER OG : rot 172:sc= -0.481 USER MOD Set 1.2: A 86 GLN : amide:sc= -0.013 K(o=-0.49,f=-1.2) USER MOD Set 2.1: A 50 ASN : amide:sc= -3 K(o=-2.3,f=-4.5) USER MOD Set 2.2: A 52 THR OG1 : rot -87:sc= 0.647 USER MOD Set 3.1: A 41 SER OG : rot -71:sc= 0.348 USER MOD Set 3.2: A 75 SER OG : rot 180:sc= -0.401 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 51 ASN : amide:sc= -0.0839 X(o=-0.084,f=0) USER MOD Single : A 55 THR OG1 : rot 156:sc= 0.438 USER MOD Single : A 56 ASN : amide:sc= -0.659 K(o=-0.66,f=-5.6!) USER MOD Single : A 58 HIS : no HE2:sc= -2.64 K(o=-2.6,f=-4.3!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 71 THR OG1 : rot 39:sc= 0.201 USER MOD Single : A 72 THR OG1 : rot 36:sc= 0.392 USER MOD Single : A 78 MET CE :methyl -111:sc= -1.76 (180deg=-5.73!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.0574 X(o=-0.057,f=-0.26) USER MOD Single : A 98 THR OG1 : rot -90:sc= -1.11 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.903 USER MOD Single : A 105 ASN : amide:sc= -0.763 K(o=-0.76,f=-1.9) USER MOD Single : A 108 ASN : amide:sc= -4.14 K(o=-4.1,f=-10!) USER MOD Single : A 109 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.16) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0953 X(o=-0.095,f=-3.2e-05) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 94.348 29.192 6.009 1.00 0.00 N ATOM 2 CA GLY A 28 95.465 28.378 5.449 1.00 0.00 C ATOM 3 C GLY A 28 95.150 28.009 3.989 1.00 0.00 C ATOM 4 O GLY A 28 94.215 28.544 3.426 1.00 0.00 O ATOM 0 HA2 GLY A 28 96.399 28.938 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 28 95.603 27.474 6.042 1.00 0.00 H new ATOM 10 N PRO A 29 95.935 27.108 3.407 1.00 0.00 N ATOM 11 CA PRO A 29 95.702 26.680 1.987 1.00 0.00 C ATOM 12 C PRO A 29 94.294 26.094 1.803 1.00 0.00 C ATOM 13 O PRO A 29 93.942 25.110 2.431 1.00 0.00 O ATOM 14 CB PRO A 29 96.766 25.601 1.772 1.00 0.00 C ATOM 15 CG PRO A 29 97.836 25.958 2.745 1.00 0.00 C ATOM 16 CD PRO A 29 97.105 26.403 3.975 1.00 0.00 C ATOM 0 HA PRO A 29 95.770 27.507 1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 29 96.369 24.604 1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 29 97.139 25.605 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 29 98.480 25.104 2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 29 98.475 26.751 2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 29 96.809 25.560 4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 29 97.715 27.060 4.595 1.00 0.00 H new ATOM 24 N GLU A 30 93.498 26.696 0.947 1.00 0.00 N ATOM 25 CA GLU A 30 92.107 26.193 0.691 1.00 0.00 C ATOM 26 C GLU A 30 92.100 25.175 -0.462 1.00 0.00 C ATOM 27 O GLU A 30 91.275 25.245 -1.360 1.00 0.00 O ATOM 28 CB GLU A 30 91.294 27.441 0.321 1.00 0.00 C ATOM 29 CG GLU A 30 91.188 28.367 1.535 1.00 0.00 C ATOM 30 CD GLU A 30 90.319 29.574 1.181 1.00 0.00 C ATOM 31 OE1 GLU A 30 89.117 29.494 1.378 1.00 0.00 O ATOM 32 OE2 GLU A 30 90.869 30.561 0.718 1.00 0.00 O ATOM 0 H GLU A 30 93.756 27.523 0.409 1.00 0.00 H new ATOM 0 HA GLU A 30 91.692 25.679 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 30 91.771 27.965 -0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 30 90.298 27.152 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 30 90.756 27.829 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 30 92.180 28.697 1.842 1.00 0.00 H new ATOM 39 N ASP A 31 93.011 24.230 -0.434 1.00 0.00 N ATOM 40 CA ASP A 31 93.119 23.233 -1.550 1.00 0.00 C ATOM 41 C ASP A 31 92.025 22.166 -1.404 1.00 0.00 C ATOM 42 O ASP A 31 92.263 21.080 -0.899 1.00 0.00 O ATOM 43 CB ASP A 31 94.519 22.615 -1.427 1.00 0.00 C ATOM 44 CG ASP A 31 95.579 23.683 -1.709 1.00 0.00 C ATOM 45 OD1 ASP A 31 95.408 24.424 -2.662 1.00 0.00 O ATOM 46 OD2 ASP A 31 96.545 23.740 -0.965 1.00 0.00 O ATOM 0 H ASP A 31 93.689 24.105 0.318 1.00 0.00 H new ATOM 0 HA ASP A 31 92.984 23.694 -2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 31 94.659 22.204 -0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 31 94.625 21.788 -2.129 1.00 0.00 H new ATOM 51 N THR A 32 90.826 22.479 -1.844 1.00 0.00 N ATOM 52 CA THR A 32 89.699 21.498 -1.776 1.00 0.00 C ATOM 53 C THR A 32 88.920 21.496 -3.094 1.00 0.00 C ATOM 54 O THR A 32 88.294 22.480 -3.448 1.00 0.00 O ATOM 55 CB THR A 32 88.816 21.992 -0.629 1.00 0.00 C ATOM 56 OG1 THR A 32 89.618 22.231 0.518 1.00 0.00 O ATOM 57 CG2 THR A 32 87.759 20.935 -0.304 1.00 0.00 C ATOM 0 H THR A 32 90.581 23.382 -2.251 1.00 0.00 H new ATOM 0 HA THR A 32 90.046 20.478 -1.613 1.00 0.00 H new ATOM 0 HB THR A 32 88.322 22.918 -0.925 1.00 0.00 H new ATOM 0 HG1 THR A 32 89.052 22.549 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 32 87.131 21.288 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 32 87.142 20.755 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 32 88.250 20.008 -0.009 1.00 0.00 H new ATOM 65 N LEU A 33 88.958 20.397 -3.812 1.00 0.00 N ATOM 66 CA LEU A 33 88.205 20.284 -5.100 1.00 0.00 C ATOM 67 C LEU A 33 87.635 18.858 -5.237 1.00 0.00 C ATOM 68 O LEU A 33 88.407 17.919 -5.272 1.00 0.00 O ATOM 69 CB LEU A 33 89.234 20.549 -6.205 1.00 0.00 C ATOM 70 CG LEU A 33 89.599 22.036 -6.249 1.00 0.00 C ATOM 71 CD1 LEU A 33 90.781 22.238 -7.201 1.00 0.00 C ATOM 72 CD2 LEU A 33 88.402 22.852 -6.750 1.00 0.00 C ATOM 0 H LEU A 33 89.487 19.563 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 33 87.372 20.985 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 33 90.129 19.953 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 33 88.830 20.238 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 33 89.868 22.370 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 33 91.044 23.295 -7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 33 91.636 21.663 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 33 90.505 21.900 -8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 33 88.668 23.909 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.128 22.519 -7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 33 87.557 22.709 -6.077 1.00 0.00 H new ATOM 84 N PRO A 34 86.314 18.714 -5.312 1.00 0.00 N ATOM 85 CA PRO A 34 85.693 17.350 -5.414 1.00 0.00 C ATOM 86 C PRO A 34 86.169 16.615 -6.677 1.00 0.00 C ATOM 87 O PRO A 34 86.390 17.230 -7.706 1.00 0.00 O ATOM 88 CB PRO A 34 84.193 17.657 -5.497 1.00 0.00 C ATOM 89 CG PRO A 34 84.066 18.987 -4.844 1.00 0.00 C ATOM 90 CD PRO A 34 85.265 19.757 -5.301 1.00 0.00 C ATOM 0 HA PRO A 34 85.956 16.700 -4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 34 83.847 17.684 -6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 34 83.601 16.900 -4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 34 83.142 19.484 -5.138 1.00 0.00 H new ATOM 0 HG3 PRO A 34 84.047 18.894 -3.758 1.00 0.00 H new ATOM 0 HD2 PRO A 34 85.116 20.196 -6.287 1.00 0.00 H new ATOM 0 HD3 PRO A 34 85.509 20.574 -4.622 1.00 0.00 H new ATOM 98 N PHE A 35 86.325 15.309 -6.597 1.00 0.00 N ATOM 99 CA PHE A 35 86.793 14.517 -7.780 1.00 0.00 C ATOM 100 C PHE A 35 86.255 13.077 -7.719 1.00 0.00 C ATOM 101 O PHE A 35 86.989 12.120 -7.903 1.00 0.00 O ATOM 102 CB PHE A 35 88.328 14.552 -7.699 1.00 0.00 C ATOM 103 CG PHE A 35 88.904 13.903 -6.456 1.00 0.00 C ATOM 104 CD1 PHE A 35 88.970 14.632 -5.229 1.00 0.00 C ATOM 105 CD2 PHE A 35 89.386 12.557 -6.514 1.00 0.00 C ATOM 106 CE1 PHE A 35 89.517 14.017 -4.061 1.00 0.00 C ATOM 107 CE2 PHE A 35 89.932 11.942 -5.344 1.00 0.00 C ATOM 108 CZ PHE A 35 89.998 12.673 -4.117 1.00 0.00 C ATOM 0 H PHE A 35 86.146 14.758 -5.757 1.00 0.00 H new ATOM 0 HA PHE A 35 86.433 14.929 -8.723 1.00 0.00 H new ATOM 0 HB2 PHE A 35 88.738 14.053 -8.578 1.00 0.00 H new ATOM 0 HB3 PHE A 35 88.658 15.590 -7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.606 15.648 -5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 35 89.337 12.006 -7.441 1.00 0.00 H new ATOM 0 HE1 PHE A 35 89.567 14.569 -3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.294 10.926 -5.387 1.00 0.00 H new ATOM 0 HZ PHE A 35 90.411 12.210 -3.233 1.00 0.00 H new ATOM 118 N LEU A 36 84.974 12.928 -7.466 1.00 0.00 N ATOM 119 CA LEU A 36 84.379 11.571 -7.265 1.00 0.00 C ATOM 120 C LEU A 36 82.861 11.619 -7.456 1.00 0.00 C ATOM 121 O LEU A 36 82.159 12.261 -6.695 1.00 0.00 O ATOM 122 CB LEU A 36 84.725 11.203 -5.821 1.00 0.00 C ATOM 123 CG LEU A 36 84.421 9.724 -5.579 1.00 0.00 C ATOM 124 CD1 LEU A 36 85.456 8.860 -6.303 1.00 0.00 C ATOM 125 CD2 LEU A 36 84.479 9.434 -4.078 1.00 0.00 C ATOM 0 H LEU A 36 84.311 13.699 -7.390 1.00 0.00 H new ATOM 0 HA LEU A 36 84.762 10.842 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 36 85.779 11.404 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.150 11.820 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 36 83.426 9.492 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.237 7.807 -6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 36 85.418 9.066 -7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 36 86.452 9.091 -5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.263 8.380 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.474 9.668 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 36 83.741 10.047 -3.560 1.00 0.00 H new ATOM 137 N LYS A 37 82.362 10.947 -8.468 1.00 0.00 N ATOM 138 CA LYS A 37 80.886 10.898 -8.709 1.00 0.00 C ATOM 139 C LYS A 37 80.306 9.584 -8.177 1.00 0.00 C ATOM 140 O LYS A 37 80.840 8.519 -8.435 1.00 0.00 O ATOM 141 CB LYS A 37 80.735 10.970 -10.229 1.00 0.00 C ATOM 142 CG LYS A 37 79.283 11.293 -10.586 1.00 0.00 C ATOM 143 CD LYS A 37 79.132 11.353 -12.107 1.00 0.00 C ATOM 144 CE LYS A 37 77.779 11.970 -12.465 1.00 0.00 C ATOM 145 NZ LYS A 37 77.983 12.589 -13.805 1.00 0.00 N ATOM 0 H LYS A 37 82.922 10.426 -9.143 1.00 0.00 H new ATOM 0 HA LYS A 37 80.357 11.707 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.398 11.734 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.028 10.022 -10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.619 10.534 -10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 37 78.992 12.246 -10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 37 79.939 11.945 -12.539 1.00 0.00 H new ATOM 0 HD3 LYS A 37 79.210 10.351 -12.530 1.00 0.00 H new ATOM 0 HE2 LYS A 37 76.995 11.213 -12.494 1.00 0.00 H new ATOM 0 HE3 LYS A 37 77.476 12.714 -11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 77.098 13.034 -14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 78.730 13.310 -13.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 78.264 11.856 -14.487 1.00 0.00 H new ATOM 159 N CYS A 38 79.220 9.659 -7.438 1.00 0.00 N ATOM 160 CA CYS A 38 78.599 8.425 -6.848 1.00 0.00 C ATOM 161 C CYS A 38 77.176 8.259 -7.386 1.00 0.00 C ATOM 162 O CYS A 38 76.456 9.231 -7.531 1.00 0.00 O ATOM 163 CB CYS A 38 78.547 8.655 -5.330 1.00 0.00 C ATOM 164 SG CYS A 38 80.205 8.926 -4.643 1.00 0.00 S ATOM 0 H CYS A 38 78.734 10.528 -7.217 1.00 0.00 H new ATOM 0 HA CYS A 38 79.169 7.531 -7.101 1.00 0.00 H new ATOM 0 HB2 CYS A 38 77.916 9.517 -5.113 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.087 7.793 -4.846 1.00 0.00 H new ATOM 169 N TYR A 39 76.773 7.043 -7.680 1.00 0.00 N ATOM 170 CA TYR A 39 75.365 6.792 -8.133 1.00 0.00 C ATOM 171 C TYR A 39 74.437 6.679 -6.921 1.00 0.00 C ATOM 172 O TYR A 39 74.825 6.163 -5.887 1.00 0.00 O ATOM 173 CB TYR A 39 75.405 5.469 -8.901 1.00 0.00 C ATOM 174 CG TYR A 39 74.086 5.100 -9.539 1.00 0.00 C ATOM 175 CD1 TYR A 39 73.785 5.541 -10.864 1.00 0.00 C ATOM 176 CD2 TYR A 39 73.138 4.317 -8.811 1.00 0.00 C ATOM 177 CE1 TYR A 39 72.534 5.194 -11.464 1.00 0.00 C ATOM 178 CE2 TYR A 39 71.888 3.972 -9.411 1.00 0.00 C ATOM 179 CZ TYR A 39 71.585 4.411 -10.739 1.00 0.00 C ATOM 180 OH TYR A 39 70.378 4.078 -11.317 1.00 0.00 O ATOM 0 H TYR A 39 77.361 6.211 -7.625 1.00 0.00 H new ATOM 0 HA TYR A 39 74.988 7.603 -8.756 1.00 0.00 H new ATOM 0 HB2 TYR A 39 76.169 5.531 -9.676 1.00 0.00 H new ATOM 0 HB3 TYR A 39 75.705 4.672 -8.220 1.00 0.00 H new ATOM 0 HD1 TYR A 39 74.501 6.136 -11.412 1.00 0.00 H new ATOM 0 HD2 TYR A 39 73.366 3.986 -7.808 1.00 0.00 H new ATOM 0 HE1 TYR A 39 72.307 5.525 -12.467 1.00 0.00 H new ATOM 0 HE2 TYR A 39 71.171 3.379 -8.862 1.00 0.00 H new ATOM 0 HH TYR A 39 69.851 3.542 -10.688 1.00 0.00 H new ATOM 190 N CYS A 40 73.217 7.160 -7.045 1.00 0.00 N ATOM 191 CA CYS A 40 72.251 7.114 -5.897 1.00 0.00 C ATOM 192 C CYS A 40 71.055 6.214 -6.234 1.00 0.00 C ATOM 193 O CYS A 40 70.524 6.267 -7.330 1.00 0.00 O ATOM 194 CB CYS A 40 71.814 8.573 -5.650 1.00 0.00 C ATOM 195 SG CYS A 40 70.989 9.291 -7.104 1.00 0.00 S ATOM 0 H CYS A 40 72.849 7.584 -7.897 1.00 0.00 H new ATOM 0 HA CYS A 40 72.706 6.691 -5.002 1.00 0.00 H new ATOM 0 HB2 CYS A 40 71.139 8.610 -4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 40 72.686 9.175 -5.394 1.00 0.00 H new ATOM 200 N SER A 41 70.637 5.395 -5.294 1.00 0.00 N ATOM 201 CA SER A 41 69.421 4.547 -5.493 1.00 0.00 C ATOM 202 C SER A 41 68.403 4.828 -4.385 1.00 0.00 C ATOM 203 O SER A 41 68.770 5.021 -3.239 1.00 0.00 O ATOM 204 CB SER A 41 69.924 3.107 -5.408 1.00 0.00 C ATOM 205 OG SER A 41 70.425 2.860 -4.101 1.00 0.00 O ATOM 0 H SER A 41 71.093 5.279 -4.389 1.00 0.00 H new ATOM 0 HA SER A 41 68.925 4.747 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 41 69.115 2.413 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 41 70.707 2.939 -6.148 1.00 0.00 H new ATOM 0 HG SER A 41 71.266 3.347 -3.976 1.00 0.00 H new ATOM 211 N GLY A 42 67.133 4.849 -4.724 1.00 0.00 N ATOM 212 CA GLY A 42 66.069 5.114 -3.709 1.00 0.00 C ATOM 213 C GLY A 42 66.087 6.596 -3.322 1.00 0.00 C ATOM 214 O GLY A 42 65.166 7.332 -3.635 1.00 0.00 O ATOM 0 H GLY A 42 66.789 4.692 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 42 65.093 4.845 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 42 66.232 4.495 -2.827 1.00 0.00 H new ATOM 218 N HIS A 43 67.130 7.032 -2.648 1.00 0.00 N ATOM 219 CA HIS A 43 67.200 8.447 -2.167 1.00 0.00 C ATOM 220 C HIS A 43 68.296 9.214 -2.914 1.00 0.00 C ATOM 221 O HIS A 43 69.448 8.817 -2.916 1.00 0.00 O ATOM 222 CB HIS A 43 67.543 8.339 -0.681 1.00 0.00 C ATOM 223 CG HIS A 43 66.473 7.668 0.135 1.00 0.00 C ATOM 224 ND1 HIS A 43 66.472 6.301 0.372 1.00 0.00 N ATOM 225 CD2 HIS A 43 65.362 8.161 0.776 1.00 0.00 C ATOM 226 CE1 HIS A 43 65.393 6.022 1.125 1.00 0.00 C ATOM 227 NE2 HIS A 43 64.683 7.118 1.401 1.00 0.00 N ATOM 0 H HIS A 43 67.941 6.460 -2.411 1.00 0.00 H new ATOM 0 HA HIS A 43 66.268 8.986 -2.337 1.00 0.00 H new ATOM 0 HB2 HIS A 43 68.474 7.784 -0.571 1.00 0.00 H new ATOM 0 HB3 HIS A 43 67.719 9.339 -0.283 1.00 0.00 H new ATOM 0 HD2 HIS A 43 65.061 9.198 0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 43 65.133 5.031 1.465 1.00 0.00 H new ATOM 0 HE2 HIS A 43 63.827 7.179 1.952 1.00 0.00 H new ATOM 235 N CYS A 44 67.932 10.310 -3.545 1.00 0.00 N ATOM 236 CA CYS A 44 68.944 11.201 -4.194 1.00 0.00 C ATOM 237 C CYS A 44 68.584 12.673 -3.912 1.00 0.00 C ATOM 238 O CYS A 44 67.422 13.023 -4.001 1.00 0.00 O ATOM 239 CB CYS A 44 68.833 10.890 -5.694 1.00 0.00 C ATOM 240 SG CYS A 44 70.434 11.140 -6.506 1.00 0.00 S ATOM 0 H CYS A 44 66.966 10.625 -3.637 1.00 0.00 H new ATOM 0 HA CYS A 44 69.956 11.039 -3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 44 68.502 9.861 -5.836 1.00 0.00 H new ATOM 0 HB3 CYS A 44 68.081 11.533 -6.151 1.00 0.00 H new ATOM 245 N PRO A 45 69.570 13.504 -3.581 1.00 0.00 N ATOM 246 CA PRO A 45 69.270 14.900 -3.136 1.00 0.00 C ATOM 247 C PRO A 45 68.549 15.689 -4.240 1.00 0.00 C ATOM 248 O PRO A 45 68.715 15.418 -5.415 1.00 0.00 O ATOM 249 CB PRO A 45 70.646 15.505 -2.834 1.00 0.00 C ATOM 250 CG PRO A 45 71.632 14.621 -3.525 1.00 0.00 C ATOM 251 CD PRO A 45 71.024 13.249 -3.583 1.00 0.00 C ATOM 0 HA PRO A 45 68.606 14.927 -2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 45 70.713 16.529 -3.201 1.00 0.00 H new ATOM 0 HB3 PRO A 45 70.833 15.538 -1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 45 71.846 14.991 -4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 45 72.578 14.601 -2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 45 71.334 12.712 -4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 45 71.324 12.643 -2.729 1.00 0.00 H new ATOM 259 N ASP A 46 67.754 16.668 -3.857 1.00 0.00 N ATOM 260 CA ASP A 46 66.876 17.389 -4.849 1.00 0.00 C ATOM 261 C ASP A 46 67.709 18.069 -5.944 1.00 0.00 C ATOM 262 O ASP A 46 67.240 18.244 -7.056 1.00 0.00 O ATOM 263 CB ASP A 46 66.112 18.444 -4.040 1.00 0.00 C ATOM 264 CG ASP A 46 65.164 17.750 -3.061 1.00 0.00 C ATOM 265 OD1 ASP A 46 64.031 17.499 -3.440 1.00 0.00 O ATOM 266 OD2 ASP A 46 65.585 17.483 -1.947 1.00 0.00 O ATOM 0 H ASP A 46 67.674 17.001 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 46 66.207 16.692 -5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.812 19.078 -3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 46 65.548 19.093 -4.710 1.00 0.00 H new ATOM 271 N ASP A 47 68.931 18.448 -5.636 1.00 0.00 N ATOM 272 CA ASP A 47 69.788 19.166 -6.637 1.00 0.00 C ATOM 273 C ASP A 47 70.657 18.187 -7.451 1.00 0.00 C ATOM 274 O ASP A 47 71.590 18.606 -8.117 1.00 0.00 O ATOM 275 CB ASP A 47 70.657 20.137 -5.817 1.00 0.00 C ATOM 276 CG ASP A 47 71.556 19.382 -4.825 1.00 0.00 C ATOM 277 OD1 ASP A 47 71.021 18.656 -4.004 1.00 0.00 O ATOM 278 OD2 ASP A 47 72.763 19.544 -4.907 1.00 0.00 O ATOM 0 H ASP A 47 69.372 18.290 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 47 69.179 19.694 -7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 47 71.274 20.732 -6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 47 70.016 20.832 -5.274 1.00 0.00 H new ATOM 283 N ALA A 48 70.364 16.902 -7.406 1.00 0.00 N ATOM 284 CA ALA A 48 71.257 15.889 -8.058 1.00 0.00 C ATOM 285 C ALA A 48 71.028 15.877 -9.570 1.00 0.00 C ATOM 286 O ALA A 48 70.018 16.359 -10.052 1.00 0.00 O ATOM 287 CB ALA A 48 70.876 14.536 -7.446 1.00 0.00 C ATOM 0 H ALA A 48 69.542 16.514 -6.944 1.00 0.00 H new ATOM 0 HA ALA A 48 72.310 16.117 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 48 71.495 13.752 -7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 48 71.036 14.566 -6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 48 69.826 14.326 -7.652 1.00 0.00 H new ATOM 293 N ILE A 49 71.962 15.327 -10.314 1.00 0.00 N ATOM 294 CA ILE A 49 71.857 15.324 -11.811 1.00 0.00 C ATOM 295 C ILE A 49 71.954 13.878 -12.313 1.00 0.00 C ATOM 296 O ILE A 49 72.779 13.121 -11.846 1.00 0.00 O ATOM 297 CB ILE A 49 73.038 16.176 -12.324 1.00 0.00 C ATOM 298 CG1 ILE A 49 72.964 17.598 -11.743 1.00 0.00 C ATOM 299 CG2 ILE A 49 72.990 16.277 -13.855 1.00 0.00 C ATOM 300 CD1 ILE A 49 74.297 18.315 -11.973 1.00 0.00 C ATOM 0 H ILE A 49 72.799 14.876 -9.945 1.00 0.00 H new ATOM 0 HA ILE A 49 70.912 15.733 -12.167 1.00 0.00 H new ATOM 0 HB ILE A 49 73.964 15.695 -12.009 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.154 18.154 -12.216 1.00 0.00 H new ATOM 0 HG13 ILE A 49 72.741 17.555 -10.677 1.00 0.00 H new ATOM 0 HG21 ILE A 49 73.827 16.880 -14.206 1.00 0.00 H new ATOM 0 HG22 ILE A 49 73.055 15.279 -14.288 1.00 0.00 H new ATOM 0 HG23 ILE A 49 72.053 16.744 -14.160 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.244 19.323 -11.561 1.00 0.00 H new ATOM 0 HD12 ILE A 49 75.097 17.763 -11.480 1.00 0.00 H new ATOM 0 HD13 ILE A 49 74.501 18.370 -13.042 1.00 0.00 H new ATOM 312 N ASN A 50 71.105 13.506 -13.257 1.00 0.00 N ATOM 313 CA ASN A 50 71.030 12.093 -13.797 1.00 0.00 C ATOM 314 C ASN A 50 71.236 11.013 -12.713 1.00 0.00 C ATOM 315 O ASN A 50 71.939 10.040 -12.917 1.00 0.00 O ATOM 316 CB ASN A 50 72.091 12.007 -14.911 1.00 0.00 C ATOM 317 CG ASN A 50 73.506 12.193 -14.358 1.00 0.00 C ATOM 318 OD1 ASN A 50 74.001 11.357 -13.629 1.00 0.00 O ATOM 319 ND2 ASN A 50 74.187 13.258 -14.681 1.00 0.00 N ATOM 0 H ASN A 50 70.438 14.145 -13.690 1.00 0.00 H new ATOM 0 HA ASN A 50 70.031 11.889 -14.182 1.00 0.00 H new ATOM 0 HB2 ASN A 50 72.019 11.040 -15.409 1.00 0.00 H new ATOM 0 HB3 ASN A 50 71.891 12.769 -15.664 1.00 0.00 H new ATOM 0 HD21 ASN A 50 75.133 13.387 -14.322 1.00 0.00 H new ATOM 0 HD22 ASN A 50 73.774 13.962 -15.293 1.00 0.00 H new ATOM 326 N ASN A 51 70.615 11.194 -11.560 1.00 0.00 N ATOM 327 CA ASN A 51 70.752 10.229 -10.411 1.00 0.00 C ATOM 328 C ASN A 51 72.228 10.017 -10.026 1.00 0.00 C ATOM 329 O ASN A 51 72.664 8.899 -9.795 1.00 0.00 O ATOM 330 CB ASN A 51 70.104 8.914 -10.875 1.00 0.00 C ATOM 331 CG ASN A 51 68.607 9.132 -11.105 1.00 0.00 C ATOM 332 OD1 ASN A 51 68.089 8.818 -12.159 1.00 0.00 O ATOM 333 ND2 ASN A 51 67.883 9.660 -10.155 1.00 0.00 N ATOM 0 H ASN A 51 70.006 11.989 -11.366 1.00 0.00 H new ATOM 0 HA ASN A 51 70.262 10.616 -9.517 1.00 0.00 H new ATOM 0 HB2 ASN A 51 70.577 8.569 -11.794 1.00 0.00 H new ATOM 0 HB3 ASN A 51 70.258 8.137 -10.126 1.00 0.00 H new ATOM 0 HD21 ASN A 51 66.884 9.809 -10.298 1.00 0.00 H new ATOM 0 HD22 ASN A 51 68.316 9.924 -9.270 1.00 0.00 H new ATOM 340 N THR A 52 72.992 11.085 -9.957 1.00 0.00 N ATOM 341 CA THR A 52 74.382 11.002 -9.403 1.00 0.00 C ATOM 342 C THR A 52 74.690 12.238 -8.553 1.00 0.00 C ATOM 343 O THR A 52 74.022 13.253 -8.664 1.00 0.00 O ATOM 344 CB THR A 52 75.311 10.952 -10.621 1.00 0.00 C ATOM 345 OG1 THR A 52 75.073 12.086 -11.442 1.00 0.00 O ATOM 346 CG2 THR A 52 75.057 9.671 -11.421 1.00 0.00 C ATOM 0 H THR A 52 72.709 12.016 -10.263 1.00 0.00 H new ATOM 0 HA THR A 52 74.508 10.129 -8.762 1.00 0.00 H new ATOM 0 HB THR A 52 76.347 10.958 -10.284 1.00 0.00 H new ATOM 0 HG1 THR A 52 74.351 11.887 -12.074 1.00 0.00 H new ATOM 0 HG21 THR A 52 75.721 9.644 -12.285 1.00 0.00 H new ATOM 0 HG22 THR A 52 75.248 8.804 -10.789 1.00 0.00 H new ATOM 0 HG23 THR A 52 74.021 9.653 -11.759 1.00 0.00 H new ATOM 354 N CYS A 53 75.699 12.150 -7.714 1.00 0.00 N ATOM 355 CA CYS A 53 76.090 13.311 -6.851 1.00 0.00 C ATOM 356 C CYS A 53 77.617 13.434 -6.767 1.00 0.00 C ATOM 357 O CYS A 53 78.336 12.514 -7.114 1.00 0.00 O ATOM 358 CB CYS A 53 75.467 13.049 -5.463 1.00 0.00 C ATOM 359 SG CYS A 53 76.050 11.481 -4.746 1.00 0.00 S ATOM 0 H CYS A 53 76.272 11.315 -7.591 1.00 0.00 H new ATOM 0 HA CYS A 53 75.729 14.253 -7.263 1.00 0.00 H new ATOM 0 HB2 CYS A 53 75.716 13.871 -4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 53 74.381 13.027 -5.550 1.00 0.00 H new ATOM 364 N ILE A 54 78.099 14.563 -6.304 1.00 0.00 N ATOM 365 CA ILE A 54 79.575 14.825 -6.273 1.00 0.00 C ATOM 366 C ILE A 54 80.047 14.865 -4.812 1.00 0.00 C ATOM 367 O ILE A 54 79.439 15.518 -3.982 1.00 0.00 O ATOM 368 CB ILE A 54 79.757 16.196 -6.962 1.00 0.00 C ATOM 369 CG1 ILE A 54 79.247 16.136 -8.409 1.00 0.00 C ATOM 370 CG2 ILE A 54 81.238 16.596 -6.987 1.00 0.00 C ATOM 371 CD1 ILE A 54 79.089 17.555 -8.957 1.00 0.00 C ATOM 0 H ILE A 54 77.525 15.324 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 54 80.158 14.055 -6.778 1.00 0.00 H new ATOM 0 HB ILE A 54 79.187 16.932 -6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 54 79.945 15.572 -9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 54 78.292 15.612 -8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 54 81.345 17.564 -7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 54 81.614 16.662 -5.966 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.808 15.847 -7.536 1.00 0.00 H new ATOM 0 HD11 ILE A 54 78.727 17.510 -9.984 1.00 0.00 H new ATOM 0 HD12 ILE A 54 78.374 18.104 -8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 54 80.053 18.063 -8.934 1.00 0.00 H new ATOM 383 N THR A 55 81.122 14.173 -4.504 1.00 0.00 N ATOM 384 CA THR A 55 81.642 14.151 -3.097 1.00 0.00 C ATOM 385 C THR A 55 83.175 14.204 -3.075 1.00 0.00 C ATOM 386 O THR A 55 83.829 13.782 -4.014 1.00 0.00 O ATOM 387 CB THR A 55 81.121 12.839 -2.480 1.00 0.00 C ATOM 388 OG1 THR A 55 81.572 12.745 -1.138 1.00 0.00 O ATOM 389 CG2 THR A 55 81.615 11.614 -3.267 1.00 0.00 C ATOM 0 H THR A 55 81.663 13.621 -5.170 1.00 0.00 H new ATOM 0 HA THR A 55 81.302 15.019 -2.531 1.00 0.00 H new ATOM 0 HB THR A 55 80.032 12.852 -2.517 1.00 0.00 H new ATOM 0 HG1 THR A 55 80.971 12.160 -0.631 1.00 0.00 H new ATOM 0 HG21 THR A 55 81.229 10.705 -2.805 1.00 0.00 H new ATOM 0 HG22 THR A 55 81.262 11.676 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 55 82.705 11.591 -3.258 1.00 0.00 H new ATOM 397 N ASN A 56 83.741 14.724 -2.009 1.00 0.00 N ATOM 398 CA ASN A 56 85.214 14.579 -1.770 1.00 0.00 C ATOM 399 C ASN A 56 85.482 13.609 -0.611 1.00 0.00 C ATOM 400 O ASN A 56 86.468 13.740 0.093 1.00 0.00 O ATOM 401 CB ASN A 56 85.735 15.992 -1.441 1.00 0.00 C ATOM 402 CG ASN A 56 85.010 16.600 -0.227 1.00 0.00 C ATOM 403 OD1 ASN A 56 84.357 15.907 0.530 1.00 0.00 O ATOM 404 ND2 ASN A 56 85.099 17.885 -0.012 1.00 0.00 N ATOM 0 H ASN A 56 83.241 15.246 -1.290 1.00 0.00 H new ATOM 0 HA ASN A 56 85.721 14.168 -2.643 1.00 0.00 H new ATOM 0 HB2 ASN A 56 86.805 15.947 -1.240 1.00 0.00 H new ATOM 0 HB3 ASN A 56 85.600 16.640 -2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 56 84.622 18.303 0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 56 85.645 18.471 -0.643 1.00 0.00 H new ATOM 411 N GLY A 57 84.608 12.643 -0.414 1.00 0.00 N ATOM 412 CA GLY A 57 84.828 11.601 0.638 1.00 0.00 C ATOM 413 C GLY A 57 84.807 10.216 -0.012 1.00 0.00 C ATOM 414 O GLY A 57 85.809 9.757 -0.532 1.00 0.00 O ATOM 0 H GLY A 57 83.744 12.535 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.783 11.767 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 57 84.053 11.669 1.402 1.00 0.00 H new ATOM 418 N HIS A 58 83.670 9.556 0.019 1.00 0.00 N ATOM 419 CA HIS A 58 83.531 8.227 -0.653 1.00 0.00 C ATOM 420 C HIS A 58 82.126 8.089 -1.240 1.00 0.00 C ATOM 421 O HIS A 58 81.262 8.911 -0.995 1.00 0.00 O ATOM 422 CB HIS A 58 83.735 7.176 0.446 1.00 0.00 C ATOM 423 CG HIS A 58 85.067 7.254 1.141 1.00 0.00 C ATOM 424 ND1 HIS A 58 86.079 6.341 0.893 1.00 0.00 N ATOM 425 CD2 HIS A 58 85.566 8.120 2.084 1.00 0.00 C ATOM 426 CE1 HIS A 58 87.126 6.673 1.669 1.00 0.00 C ATOM 427 NE2 HIS A 58 86.867 7.751 2.415 1.00 0.00 N ATOM 0 H HIS A 58 82.826 9.887 0.487 1.00 0.00 H new ATOM 0 HA HIS A 58 84.250 8.110 -1.464 1.00 0.00 H new ATOM 0 HB2 HIS A 58 82.945 7.286 1.188 1.00 0.00 H new ATOM 0 HB3 HIS A 58 83.625 6.184 0.008 1.00 0.00 H new ATOM 0 HD1 HIS A 58 86.038 5.559 0.240 1.00 0.00 H new ATOM 0 HD2 HIS A 58 85.031 8.959 2.504 1.00 0.00 H new ATOM 0 HE1 HIS A 58 88.062 6.134 1.687 1.00 0.00 H new ATOM 435 N CYS A 59 81.904 7.056 -2.017 1.00 0.00 N ATOM 436 CA CYS A 59 80.506 6.640 -2.353 1.00 0.00 C ATOM 437 C CYS A 59 80.068 5.583 -1.341 1.00 0.00 C ATOM 438 O CYS A 59 80.850 4.718 -0.984 1.00 0.00 O ATOM 439 CB CYS A 59 80.556 6.025 -3.762 1.00 0.00 C ATOM 440 SG CYS A 59 81.193 7.205 -4.989 1.00 0.00 S ATOM 0 H CYS A 59 82.635 6.480 -2.435 1.00 0.00 H new ATOM 0 HA CYS A 59 79.808 7.476 -2.323 1.00 0.00 H new ATOM 0 HB2 CYS A 59 81.188 5.137 -3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 59 79.557 5.701 -4.053 1.00 0.00 H new ATOM 445 N PHE A 60 78.838 5.645 -0.876 1.00 0.00 N ATOM 446 CA PHE A 60 78.364 4.653 0.142 1.00 0.00 C ATOM 447 C PHE A 60 77.031 4.027 -0.293 1.00 0.00 C ATOM 448 O PHE A 60 76.241 4.652 -0.980 1.00 0.00 O ATOM 449 CB PHE A 60 78.240 5.439 1.467 1.00 0.00 C ATOM 450 CG PHE A 60 77.010 6.317 1.606 1.00 0.00 C ATOM 451 CD1 PHE A 60 75.815 5.774 2.173 1.00 0.00 C ATOM 452 CD2 PHE A 60 77.038 7.679 1.173 1.00 0.00 C ATOM 453 CE1 PHE A 60 74.649 6.590 2.308 1.00 0.00 C ATOM 454 CE2 PHE A 60 75.873 8.496 1.309 1.00 0.00 C ATOM 455 CZ PHE A 60 74.680 7.953 1.877 1.00 0.00 C ATOM 0 H PHE A 60 78.146 6.339 -1.158 1.00 0.00 H new ATOM 0 HA PHE A 60 79.055 3.818 0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 60 78.248 4.726 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.124 6.066 1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 60 75.793 4.745 2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.939 8.091 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 60 73.747 6.178 2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.895 9.525 0.982 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.801 8.572 1.981 1.00 0.00 H new ATOM 465 N ALA A 61 76.794 2.801 0.111 1.00 0.00 N ATOM 466 CA ALA A 61 75.488 2.134 -0.167 1.00 0.00 C ATOM 467 C ALA A 61 75.194 1.114 0.933 1.00 0.00 C ATOM 468 O ALA A 61 76.096 0.466 1.436 1.00 0.00 O ATOM 469 CB ALA A 61 75.672 1.437 -1.516 1.00 0.00 C ATOM 0 H ALA A 61 77.462 2.229 0.628 1.00 0.00 H new ATOM 0 HA ALA A 61 74.654 2.836 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 61 74.750 0.923 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 61 75.913 2.178 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 61 76.484 0.713 -1.444 1.00 0.00 H new ATOM 475 N ILE A 62 73.942 0.972 1.302 1.00 0.00 N ATOM 476 CA ILE A 62 73.586 0.134 2.487 1.00 0.00 C ATOM 477 C ILE A 62 72.266 -0.619 2.235 1.00 0.00 C ATOM 478 O ILE A 62 71.399 -0.142 1.522 1.00 0.00 O ATOM 479 CB ILE A 62 73.477 1.127 3.664 1.00 0.00 C ATOM 480 CG1 ILE A 62 73.193 0.365 4.964 1.00 0.00 C ATOM 481 CG2 ILE A 62 72.360 2.152 3.422 1.00 0.00 C ATOM 482 CD1 ILE A 62 73.451 1.281 6.161 1.00 0.00 C ATOM 0 H ILE A 62 73.149 1.404 0.829 1.00 0.00 H new ATOM 0 HA ILE A 62 74.328 -0.636 2.696 1.00 0.00 H new ATOM 0 HB ILE A 62 74.425 1.659 3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 62 72.160 0.017 4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 62 73.828 -0.519 5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 62 72.307 2.838 4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 62 72.572 2.713 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 62 71.407 1.633 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 62 73.249 0.738 7.085 1.00 0.00 H new ATOM 0 HD12 ILE A 62 74.491 1.607 6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 62 72.797 2.151 6.101 1.00 0.00 H new ATOM 494 N ILE A 63 72.129 -1.788 2.819 1.00 0.00 N ATOM 495 CA ILE A 63 70.868 -2.584 2.686 1.00 0.00 C ATOM 496 C ILE A 63 70.451 -3.116 4.068 1.00 0.00 C ATOM 497 O ILE A 63 71.292 -3.452 4.882 1.00 0.00 O ATOM 498 CB ILE A 63 71.201 -3.724 1.697 1.00 0.00 C ATOM 499 CG1 ILE A 63 69.963 -4.602 1.473 1.00 0.00 C ATOM 500 CG2 ILE A 63 72.344 -4.601 2.231 1.00 0.00 C ATOM 501 CD1 ILE A 63 70.124 -5.409 0.183 1.00 0.00 C ATOM 0 H ILE A 63 72.850 -2.229 3.390 1.00 0.00 H new ATOM 0 HA ILE A 63 70.029 -1.995 2.316 1.00 0.00 H new ATOM 0 HB ILE A 63 71.512 -3.271 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 63 69.826 -5.276 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 63 69.070 -3.979 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 63 72.558 -5.395 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 63 73.236 -3.990 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 63 72.050 -5.041 3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 63 69.242 -6.030 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 63 70.239 -4.728 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 63 71.006 -6.044 0.259 1.00 0.00 H new ATOM 513 N GLU A 64 69.165 -3.199 4.319 1.00 0.00 N ATOM 514 CA GLU A 64 68.665 -3.479 5.702 1.00 0.00 C ATOM 515 C GLU A 64 67.354 -4.265 5.630 1.00 0.00 C ATOM 516 O GLU A 64 66.554 -4.056 4.734 1.00 0.00 O ATOM 517 CB GLU A 64 68.426 -2.106 6.340 1.00 0.00 C ATOM 518 CG GLU A 64 69.752 -1.359 6.495 1.00 0.00 C ATOM 519 CD GLU A 64 69.544 -0.124 7.377 1.00 0.00 C ATOM 520 OE1 GLU A 64 68.889 -0.251 8.398 1.00 0.00 O ATOM 521 OE2 GLU A 64 70.045 0.929 7.013 1.00 0.00 O ATOM 0 H GLU A 64 68.434 -3.083 3.617 1.00 0.00 H new ATOM 0 HA GLU A 64 69.373 -4.073 6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 64 67.742 -1.524 5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 64 67.952 -2.227 7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.501 -2.014 6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.130 -1.061 5.517 1.00 0.00 H new ATOM 528 N GLU A 65 67.136 -5.161 6.568 1.00 0.00 N ATOM 529 CA GLU A 65 65.914 -6.022 6.540 1.00 0.00 C ATOM 530 C GLU A 65 64.871 -5.491 7.532 1.00 0.00 C ATOM 531 O GLU A 65 65.106 -5.464 8.728 1.00 0.00 O ATOM 532 CB GLU A 65 66.418 -7.408 6.958 1.00 0.00 C ATOM 533 CG GLU A 65 65.289 -8.448 6.854 1.00 0.00 C ATOM 534 CD GLU A 65 64.519 -8.539 8.179 1.00 0.00 C ATOM 535 OE1 GLU A 65 65.135 -8.384 9.223 1.00 0.00 O ATOM 536 OE2 GLU A 65 63.324 -8.776 8.126 1.00 0.00 O ATOM 0 H GLU A 65 67.760 -5.331 7.357 1.00 0.00 H new ATOM 0 HA GLU A 65 65.429 -6.041 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 65 67.253 -7.704 6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 65 66.793 -7.371 7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 65 64.608 -8.174 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 65 65.706 -9.423 6.601 1.00 0.00 H new ATOM 543 N ASP A 66 63.728 -5.075 7.033 1.00 0.00 N ATOM 544 CA ASP A 66 62.686 -4.444 7.910 1.00 0.00 C ATOM 545 C ASP A 66 61.774 -5.516 8.521 1.00 0.00 C ATOM 546 O ASP A 66 61.885 -6.684 8.201 1.00 0.00 O ATOM 547 CB ASP A 66 61.894 -3.479 7.006 1.00 0.00 C ATOM 548 CG ASP A 66 61.224 -4.224 5.841 1.00 0.00 C ATOM 549 OD1 ASP A 66 60.397 -5.080 6.108 1.00 0.00 O ATOM 550 OD2 ASP A 66 61.553 -3.923 4.706 1.00 0.00 O ATOM 0 H ASP A 66 63.471 -5.146 6.049 1.00 0.00 H new ATOM 0 HA ASP A 66 63.135 -3.910 8.747 1.00 0.00 H new ATOM 0 HB2 ASP A 66 61.135 -2.966 7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 66 62.564 -2.714 6.613 1.00 0.00 H new ATOM 555 N ASP A 67 60.870 -5.116 9.389 1.00 0.00 N ATOM 556 CA ASP A 67 60.040 -6.109 10.160 1.00 0.00 C ATOM 557 C ASP A 67 59.198 -7.001 9.231 1.00 0.00 C ATOM 558 O ASP A 67 58.732 -8.048 9.647 1.00 0.00 O ATOM 559 CB ASP A 67 59.121 -5.275 11.063 1.00 0.00 C ATOM 560 CG ASP A 67 58.459 -6.186 12.100 1.00 0.00 C ATOM 561 OD1 ASP A 67 59.084 -6.446 13.114 1.00 0.00 O ATOM 562 OD2 ASP A 67 57.340 -6.606 11.860 1.00 0.00 O ATOM 0 H ASP A 67 60.669 -4.138 9.599 1.00 0.00 H new ATOM 0 HA ASP A 67 60.682 -6.781 10.729 1.00 0.00 H new ATOM 0 HB2 ASP A 67 59.695 -4.495 11.563 1.00 0.00 H new ATOM 0 HB3 ASP A 67 58.360 -4.776 10.463 1.00 0.00 H new ATOM 567 N GLN A 68 59.001 -6.602 7.990 1.00 0.00 N ATOM 568 CA GLN A 68 58.220 -7.448 7.026 1.00 0.00 C ATOM 569 C GLN A 68 59.135 -8.376 6.206 1.00 0.00 C ATOM 570 O GLN A 68 58.650 -9.257 5.518 1.00 0.00 O ATOM 571 CB GLN A 68 57.508 -6.455 6.106 1.00 0.00 C ATOM 572 CG GLN A 68 56.386 -5.756 6.877 1.00 0.00 C ATOM 573 CD GLN A 68 55.699 -4.734 5.970 1.00 0.00 C ATOM 574 OE1 GLN A 68 56.347 -4.066 5.186 1.00 0.00 O ATOM 575 NE2 GLN A 68 54.406 -4.580 6.042 1.00 0.00 N ATOM 0 H GLN A 68 59.349 -5.724 7.605 1.00 0.00 H new ATOM 0 HA GLN A 68 57.525 -8.101 7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 68 58.218 -5.719 5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 68 57.099 -6.975 5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 68 55.661 -6.490 7.229 1.00 0.00 H new ATOM 0 HG3 GLN A 68 56.791 -5.260 7.759 1.00 0.00 H new ATOM 0 HE21 GLN A 68 53.862 -5.139 6.699 1.00 0.00 H new ATOM 0 HE22 GLN A 68 53.939 -3.900 5.442 1.00 0.00 H new ATOM 584 N GLY A 69 60.440 -8.191 6.270 1.00 0.00 N ATOM 585 CA GLY A 69 61.386 -9.103 5.551 1.00 0.00 C ATOM 586 C GLY A 69 61.661 -8.599 4.124 1.00 0.00 C ATOM 587 O GLY A 69 62.089 -9.367 3.279 1.00 0.00 O ATOM 0 H GLY A 69 60.888 -7.440 6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.323 -9.170 6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.967 -10.109 5.511 1.00 0.00 H new ATOM 591 N GLU A 70 61.422 -7.332 3.848 1.00 0.00 N ATOM 592 CA GLU A 70 61.887 -6.730 2.559 1.00 0.00 C ATOM 593 C GLU A 70 63.209 -5.992 2.779 1.00 0.00 C ATOM 594 O GLU A 70 63.431 -5.419 3.831 1.00 0.00 O ATOM 595 CB GLU A 70 60.785 -5.748 2.154 1.00 0.00 C ATOM 596 CG GLU A 70 59.516 -6.524 1.793 1.00 0.00 C ATOM 597 CD GLU A 70 58.440 -5.547 1.314 1.00 0.00 C ATOM 598 OE1 GLU A 70 58.390 -5.286 0.123 1.00 0.00 O ATOM 599 OE2 GLU A 70 57.684 -5.076 2.148 1.00 0.00 O ATOM 0 H GLU A 70 60.923 -6.691 4.465 1.00 0.00 H new ATOM 0 HA GLU A 70 62.060 -7.481 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 70 60.581 -5.057 2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 70 61.112 -5.149 1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 70 59.733 -7.254 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 70 59.158 -7.080 2.659 1.00 0.00 H new ATOM 606 N THR A 71 64.080 -6.007 1.794 1.00 0.00 N ATOM 607 CA THR A 71 65.384 -5.282 1.913 1.00 0.00 C ATOM 608 C THR A 71 65.274 -3.888 1.291 1.00 0.00 C ATOM 609 O THR A 71 64.830 -3.741 0.166 1.00 0.00 O ATOM 610 CB THR A 71 66.397 -6.131 1.139 1.00 0.00 C ATOM 611 OG1 THR A 71 65.841 -6.521 -0.110 1.00 0.00 O ATOM 612 CG2 THR A 71 66.747 -7.376 1.956 1.00 0.00 C ATOM 0 H THR A 71 63.940 -6.494 0.909 1.00 0.00 H new ATOM 0 HA THR A 71 65.680 -5.148 2.953 1.00 0.00 H new ATOM 0 HB THR A 71 67.300 -5.546 0.963 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.328 -5.776 -0.487 1.00 0.00 H new ATOM 0 HG21 THR A 71 67.468 -7.981 1.406 1.00 0.00 H new ATOM 0 HG22 THR A 71 67.179 -7.075 2.911 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.844 -7.960 2.134 1.00 0.00 H new ATOM 620 N THR A 72 65.676 -2.871 2.021 1.00 0.00 N ATOM 621 CA THR A 72 65.639 -1.475 1.487 1.00 0.00 C ATOM 622 C THR A 72 67.020 -1.069 0.960 1.00 0.00 C ATOM 623 O THR A 72 67.981 -1.022 1.707 1.00 0.00 O ATOM 624 CB THR A 72 65.242 -0.601 2.677 1.00 0.00 C ATOM 625 OG1 THR A 72 66.050 -0.933 3.799 1.00 0.00 O ATOM 626 CG2 THR A 72 63.770 -0.840 3.017 1.00 0.00 C ATOM 0 H THR A 72 66.031 -2.953 2.974 1.00 0.00 H new ATOM 0 HA THR A 72 64.940 -1.373 0.657 1.00 0.00 H new ATOM 0 HB THR A 72 65.389 0.449 2.423 1.00 0.00 H new ATOM 0 HG1 THR A 72 66.954 -1.159 3.496 1.00 0.00 H new ATOM 0 HG21 THR A 72 63.487 -0.217 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 72 63.152 -0.584 2.157 1.00 0.00 H new ATOM 0 HG23 THR A 72 63.621 -1.889 3.272 1.00 0.00 H new ATOM 634 N LEU A 73 67.111 -0.778 -0.319 1.00 0.00 N ATOM 635 CA LEU A 73 68.417 -0.363 -0.924 1.00 0.00 C ATOM 636 C LEU A 73 68.498 1.163 -1.018 1.00 0.00 C ATOM 637 O LEU A 73 67.613 1.800 -1.561 1.00 0.00 O ATOM 638 CB LEU A 73 68.419 -0.980 -2.324 1.00 0.00 C ATOM 639 CG LEU A 73 68.677 -2.484 -2.220 1.00 0.00 C ATOM 640 CD1 LEU A 73 68.154 -3.181 -3.477 1.00 0.00 C ATOM 641 CD2 LEU A 73 70.181 -2.734 -2.091 1.00 0.00 C ATOM 0 H LEU A 73 66.329 -0.811 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 73 69.268 -0.692 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.463 -0.798 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 73 69.187 -0.510 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 73 68.163 -2.880 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 73 68.338 -4.253 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 73 67.083 -3.003 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 73 68.668 -2.785 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 73 70.367 -3.805 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 73 70.692 -2.337 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 73 70.557 -2.238 -1.196 1.00 0.00 H new ATOM 653 N ALA A 74 69.553 1.743 -0.489 1.00 0.00 N ATOM 654 CA ALA A 74 69.773 3.216 -0.640 1.00 0.00 C ATOM 655 C ALA A 74 71.267 3.529 -0.763 1.00 0.00 C ATOM 656 O ALA A 74 72.090 2.893 -0.129 1.00 0.00 O ATOM 657 CB ALA A 74 69.203 3.838 0.633 1.00 0.00 C ATOM 0 H ALA A 74 70.273 1.255 0.043 1.00 0.00 H new ATOM 0 HA ALA A 74 69.294 3.607 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 74 69.328 4.920 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 74 68.143 3.597 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 74 69.731 3.441 1.500 1.00 0.00 H new ATOM 663 N SER A 75 71.609 4.501 -1.576 1.00 0.00 N ATOM 664 CA SER A 75 73.034 4.940 -1.703 1.00 0.00 C ATOM 665 C SER A 75 73.093 6.457 -1.905 1.00 0.00 C ATOM 666 O SER A 75 72.084 7.084 -2.175 1.00 0.00 O ATOM 667 CB SER A 75 73.578 4.203 -2.928 1.00 0.00 C ATOM 668 OG SER A 75 72.883 4.639 -4.088 1.00 0.00 O ATOM 0 H SER A 75 70.952 5.014 -2.164 1.00 0.00 H new ATOM 0 HA SER A 75 73.620 4.714 -0.812 1.00 0.00 H new ATOM 0 HB2 SER A 75 74.646 4.394 -3.037 1.00 0.00 H new ATOM 0 HB3 SER A 75 73.458 3.127 -2.802 1.00 0.00 H new ATOM 0 HG SER A 75 73.231 4.169 -4.874 1.00 0.00 H new ATOM 674 N GLY A 76 74.264 7.042 -1.775 1.00 0.00 N ATOM 675 CA GLY A 76 74.405 8.520 -1.958 1.00 0.00 C ATOM 676 C GLY A 76 75.857 8.950 -1.727 1.00 0.00 C ATOM 677 O GLY A 76 76.756 8.128 -1.692 1.00 0.00 O ATOM 0 H GLY A 76 75.130 6.554 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 76 74.092 8.800 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 76 73.749 9.043 -1.262 1.00 0.00 H new ATOM 681 N CYS A 77 76.078 10.238 -1.567 1.00 0.00 N ATOM 682 CA CYS A 77 77.468 10.776 -1.418 1.00 0.00 C ATOM 683 C CYS A 77 77.812 10.951 0.064 1.00 0.00 C ATOM 684 O CYS A 77 77.035 11.508 0.820 1.00 0.00 O ATOM 685 CB CYS A 77 77.442 12.140 -2.119 1.00 0.00 C ATOM 686 SG CYS A 77 77.826 11.948 -3.880 1.00 0.00 S ATOM 0 H CYS A 77 75.343 10.945 -1.533 1.00 0.00 H new ATOM 0 HA CYS A 77 78.216 10.107 -1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 77 76.460 12.598 -2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 77 78.164 12.810 -1.653 1.00 0.00 H new ATOM 691 N MET A 78 78.971 10.483 0.474 1.00 0.00 N ATOM 692 CA MET A 78 79.415 10.666 1.890 1.00 0.00 C ATOM 693 C MET A 78 80.374 11.857 1.993 1.00 0.00 C ATOM 694 O MET A 78 81.405 11.881 1.343 1.00 0.00 O ATOM 695 CB MET A 78 80.134 9.365 2.253 1.00 0.00 C ATOM 696 CG MET A 78 80.388 9.324 3.761 1.00 0.00 C ATOM 697 SD MET A 78 81.250 7.790 4.188 1.00 0.00 S ATOM 698 CE MET A 78 79.841 6.670 3.997 1.00 0.00 C ATOM 0 H MET A 78 79.630 9.979 -0.119 1.00 0.00 H new ATOM 0 HA MET A 78 78.581 10.870 2.561 1.00 0.00 H new ATOM 0 HB2 MET A 78 79.531 8.508 1.952 1.00 0.00 H new ATOM 0 HB3 MET A 78 81.078 9.296 1.713 1.00 0.00 H new ATOM 0 HG2 MET A 78 80.984 10.185 4.063 1.00 0.00 H new ATOM 0 HG3 MET A 78 79.443 9.385 4.301 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.544 6.289 4.974 1.00 0.00 H new ATOM 0 HE2 MET A 78 79.006 7.209 3.549 1.00 0.00 H new ATOM 0 HE3 MET A 78 80.123 5.837 3.353 1.00 0.00 H new ATOM 708 N LYS A 79 80.035 12.836 2.803 1.00 0.00 N ATOM 709 CA LYS A 79 80.907 14.052 2.944 1.00 0.00 C ATOM 710 C LYS A 79 82.241 13.684 3.609 1.00 0.00 C ATOM 711 O LYS A 79 82.375 12.618 4.183 1.00 0.00 O ATOM 712 CB LYS A 79 80.116 15.059 3.804 1.00 0.00 C ATOM 713 CG LYS A 79 79.790 14.477 5.189 1.00 0.00 C ATOM 714 CD LYS A 79 79.314 15.601 6.114 1.00 0.00 C ATOM 715 CE LYS A 79 79.536 15.197 7.574 1.00 0.00 C ATOM 716 NZ LYS A 79 79.625 16.485 8.317 1.00 0.00 N ATOM 0 H LYS A 79 79.190 12.846 3.374 1.00 0.00 H new ATOM 0 HA LYS A 79 81.150 14.481 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 79 80.695 15.975 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 79 79.191 15.328 3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 79 79.019 13.712 5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 79 80.672 13.994 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 79 79.857 16.520 5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 79 78.258 15.806 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 79 78.715 14.583 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 79 80.448 14.611 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 79.777 16.293 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 80.420 17.045 7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 78.740 17.018 8.195 1.00 0.00 H new ATOM 730 N TYR A 80 83.216 14.563 3.528 1.00 0.00 N ATOM 731 CA TYR A 80 84.540 14.308 4.193 1.00 0.00 C ATOM 732 C TYR A 80 84.375 14.299 5.718 1.00 0.00 C ATOM 733 O TYR A 80 83.531 14.995 6.254 1.00 0.00 O ATOM 734 CB TYR A 80 85.455 15.462 3.770 1.00 0.00 C ATOM 735 CG TYR A 80 86.882 15.299 4.234 1.00 0.00 C ATOM 736 CD1 TYR A 80 87.802 14.525 3.460 1.00 0.00 C ATOM 737 CD2 TYR A 80 87.316 15.919 5.446 1.00 0.00 C ATOM 738 CE1 TYR A 80 89.153 14.371 3.899 1.00 0.00 C ATOM 739 CE2 TYR A 80 88.666 15.764 5.886 1.00 0.00 C ATOM 740 CZ TYR A 80 89.585 14.991 5.112 1.00 0.00 C ATOM 741 OH TYR A 80 90.890 14.841 5.537 1.00 0.00 O ATOM 0 H TYR A 80 83.152 15.450 3.028 1.00 0.00 H new ATOM 0 HA TYR A 80 84.952 13.342 3.902 1.00 0.00 H new ATOM 0 HB2 TYR A 80 85.442 15.546 2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 80 85.056 16.396 4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 80 87.476 14.057 2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 80 86.622 16.506 6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 80 89.848 13.786 3.314 1.00 0.00 H new ATOM 0 HE2 TYR A 80 88.992 16.231 6.804 1.00 0.00 H new ATOM 0 HH TYR A 80 91.018 15.327 6.378 1.00 0.00 H new ATOM 751 N GLU A 81 85.178 13.517 6.405 1.00 0.00 N ATOM 752 CA GLU A 81 85.071 13.425 7.895 1.00 0.00 C ATOM 753 C GLU A 81 86.464 13.374 8.528 1.00 0.00 C ATOM 754 O GLU A 81 86.750 14.101 9.463 1.00 0.00 O ATOM 755 CB GLU A 81 84.316 12.123 8.158 1.00 0.00 C ATOM 756 CG GLU A 81 82.872 12.258 7.671 1.00 0.00 C ATOM 757 CD GLU A 81 82.098 10.979 8.001 1.00 0.00 C ATOM 758 OE1 GLU A 81 82.092 10.085 7.171 1.00 0.00 O ATOM 759 OE2 GLU A 81 81.526 10.917 9.076 1.00 0.00 O ATOM 0 H GLU A 81 85.907 12.935 5.992 1.00 0.00 H new ATOM 0 HA GLU A 81 84.561 14.287 8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 81 84.807 11.296 7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 81 84.331 11.891 9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.396 13.116 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 81 82.855 12.438 6.596 1.00 0.00 H new ATOM 766 N GLY A 82 87.324 12.520 8.019 1.00 0.00 N ATOM 767 CA GLY A 82 88.686 12.349 8.616 1.00 0.00 C ATOM 768 C GLY A 82 89.146 10.898 8.454 1.00 0.00 C ATOM 769 O GLY A 82 90.324 10.636 8.276 1.00 0.00 O ATOM 0 H GLY A 82 87.137 11.930 7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.393 13.021 8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 82 88.666 12.618 9.672 1.00 0.00 H new ATOM 773 N SER A 83 88.224 9.961 8.514 1.00 0.00 N ATOM 774 CA SER A 83 88.588 8.516 8.337 1.00 0.00 C ATOM 775 C SER A 83 88.959 8.247 6.876 1.00 0.00 C ATOM 776 O SER A 83 88.190 8.538 5.975 1.00 0.00 O ATOM 777 CB SER A 83 87.341 7.716 8.731 1.00 0.00 C ATOM 778 OG SER A 83 87.388 7.427 10.122 1.00 0.00 O ATOM 0 H SER A 83 87.233 10.137 8.678 1.00 0.00 H new ATOM 0 HA SER A 83 89.446 8.236 8.948 1.00 0.00 H new ATOM 0 HB2 SER A 83 86.441 8.284 8.496 1.00 0.00 H new ATOM 0 HB3 SER A 83 87.292 6.791 8.157 1.00 0.00 H new ATOM 0 HG SER A 83 86.537 7.031 10.403 1.00 0.00 H new ATOM 784 N ASP A 84 90.129 7.695 6.645 1.00 0.00 N ATOM 785 CA ASP A 84 90.571 7.393 5.242 1.00 0.00 C ATOM 786 C ASP A 84 89.812 6.176 4.695 1.00 0.00 C ATOM 787 O ASP A 84 89.403 6.166 3.548 1.00 0.00 O ATOM 788 CB ASP A 84 92.088 7.127 5.308 1.00 0.00 C ATOM 789 CG ASP A 84 92.408 5.957 6.249 1.00 0.00 C ATOM 790 OD1 ASP A 84 92.074 6.054 7.419 1.00 0.00 O ATOM 791 OD2 ASP A 84 92.977 4.984 5.782 1.00 0.00 O ATOM 0 H ASP A 84 90.799 7.440 7.370 1.00 0.00 H new ATOM 0 HA ASP A 84 90.359 8.223 4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 84 92.465 6.907 4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 84 92.602 8.024 5.652 1.00 0.00 H new ATOM 796 N PHE A 85 89.627 5.162 5.513 1.00 0.00 N ATOM 797 CA PHE A 85 88.877 3.944 5.072 1.00 0.00 C ATOM 798 C PHE A 85 88.276 3.208 6.276 1.00 0.00 C ATOM 799 O PHE A 85 88.095 2.002 6.235 1.00 0.00 O ATOM 800 CB PHE A 85 89.914 3.064 4.368 1.00 0.00 C ATOM 801 CG PHE A 85 90.303 3.564 2.998 1.00 0.00 C ATOM 802 CD1 PHE A 85 89.487 3.257 1.866 1.00 0.00 C ATOM 803 CD2 PHE A 85 91.489 4.346 2.833 1.00 0.00 C ATOM 804 CE1 PHE A 85 89.855 3.730 0.568 1.00 0.00 C ATOM 805 CE2 PHE A 85 91.858 4.819 1.535 1.00 0.00 C ATOM 806 CZ PHE A 85 91.042 4.512 0.403 1.00 0.00 C ATOM 0 H PHE A 85 89.967 5.129 6.474 1.00 0.00 H new ATOM 0 HA PHE A 85 88.045 4.199 4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 85 90.807 3.002 4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 85 89.518 2.053 4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 85 88.591 2.667 1.991 1.00 0.00 H new ATOM 0 HD2 PHE A 85 92.106 4.579 3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 85 89.238 3.497 -0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 85 92.754 5.409 1.410 1.00 0.00 H new ATOM 0 HZ PHE A 85 91.321 4.870 -0.577 1.00 0.00 H new ATOM 816 N GLN A 86 87.967 3.921 7.339 1.00 0.00 N ATOM 817 CA GLN A 86 87.388 3.267 8.559 1.00 0.00 C ATOM 818 C GLN A 86 85.889 3.006 8.358 1.00 0.00 C ATOM 819 O GLN A 86 85.052 3.804 8.748 1.00 0.00 O ATOM 820 CB GLN A 86 87.623 4.253 9.712 1.00 0.00 C ATOM 821 CG GLN A 86 89.125 4.391 9.973 1.00 0.00 C ATOM 822 CD GLN A 86 89.354 5.316 11.168 1.00 0.00 C ATOM 823 OE1 GLN A 86 88.620 5.272 12.136 1.00 0.00 O ATOM 824 NE2 GLN A 86 90.350 6.161 11.142 1.00 0.00 N ATOM 0 H GLN A 86 88.092 4.931 7.412 1.00 0.00 H new ATOM 0 HA GLN A 86 87.853 2.303 8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 86 87.196 5.225 9.465 1.00 0.00 H new ATOM 0 HB3 GLN A 86 87.118 3.902 10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 86 89.562 3.412 10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 86 89.623 4.791 9.090 1.00 0.00 H new ATOM 0 HE21 GLN A 86 90.966 6.198 10.330 1.00 0.00 H new ATOM 0 HE22 GLN A 86 90.512 6.783 11.934 1.00 0.00 H new ATOM 833 N CYS A 87 85.554 1.892 7.746 1.00 0.00 N ATOM 834 CA CYS A 87 84.119 1.497 7.594 1.00 0.00 C ATOM 835 C CYS A 87 83.753 0.437 8.642 1.00 0.00 C ATOM 836 O CYS A 87 82.957 -0.449 8.384 1.00 0.00 O ATOM 837 CB CYS A 87 84.010 0.922 6.178 1.00 0.00 C ATOM 838 SG CYS A 87 84.243 2.244 4.961 1.00 0.00 S ATOM 0 H CYS A 87 86.222 1.235 7.342 1.00 0.00 H new ATOM 0 HA CYS A 87 83.439 2.336 7.740 1.00 0.00 H new ATOM 0 HB2 CYS A 87 84.760 0.144 6.032 1.00 0.00 H new ATOM 0 HB3 CYS A 87 83.035 0.455 6.039 1.00 0.00 H new ATOM 843 N LYS A 88 84.334 0.534 9.819 1.00 0.00 N ATOM 844 CA LYS A 88 84.102 -0.502 10.881 1.00 0.00 C ATOM 845 C LYS A 88 82.766 -0.251 11.588 1.00 0.00 C ATOM 846 O LYS A 88 81.990 0.591 11.170 1.00 0.00 O ATOM 847 CB LYS A 88 85.264 -0.351 11.869 1.00 0.00 C ATOM 848 CG LYS A 88 86.574 -0.742 11.184 1.00 0.00 C ATOM 849 CD LYS A 88 87.716 -0.694 12.201 1.00 0.00 C ATOM 850 CE LYS A 88 89.044 -0.969 11.492 1.00 0.00 C ATOM 851 NZ LYS A 88 89.964 -1.437 12.567 1.00 0.00 N ATOM 0 H LYS A 88 84.962 1.291 10.090 1.00 0.00 H new ATOM 0 HA LYS A 88 84.059 -1.507 10.460 1.00 0.00 H new ATOM 0 HB2 LYS A 88 85.321 0.678 12.225 1.00 0.00 H new ATOM 0 HB3 LYS A 88 85.096 -0.981 12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 88 86.491 -1.743 10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 88 86.781 -0.063 10.357 1.00 0.00 H new ATOM 0 HD2 LYS A 88 87.745 0.282 12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.550 -1.433 12.985 1.00 0.00 H new ATOM 0 HE2 LYS A 88 88.928 -1.725 10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 88 89.427 -0.070 11.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 90.897 -1.646 12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 90.061 -0.695 13.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 89.577 -2.297 13.005 1.00 0.00 H new ATOM 865 N ASP A 89 82.504 -0.976 12.653 1.00 0.00 N ATOM 866 CA ASP A 89 81.204 -0.836 13.385 1.00 0.00 C ATOM 867 C ASP A 89 81.418 -0.316 14.813 1.00 0.00 C ATOM 868 O ASP A 89 82.308 -0.767 15.514 1.00 0.00 O ATOM 869 CB ASP A 89 80.555 -2.233 13.359 1.00 0.00 C ATOM 870 CG ASP A 89 81.463 -3.283 14.018 1.00 0.00 C ATOM 871 OD1 ASP A 89 82.555 -3.492 13.516 1.00 0.00 O ATOM 872 OD2 ASP A 89 81.047 -3.857 15.011 1.00 0.00 O ATOM 0 H ASP A 89 83.143 -1.665 13.049 1.00 0.00 H new ATOM 0 HA ASP A 89 80.553 -0.101 12.912 1.00 0.00 H new ATOM 0 HB2 ASP A 89 79.597 -2.201 13.878 1.00 0.00 H new ATOM 0 HB3 ASP A 89 80.350 -2.522 12.328 1.00 0.00 H new ATOM 877 N SER A 90 80.607 0.627 15.236 1.00 0.00 N ATOM 878 CA SER A 90 80.718 1.176 16.625 1.00 0.00 C ATOM 879 C SER A 90 80.069 0.204 17.626 1.00 0.00 C ATOM 880 O SER A 90 79.489 -0.784 17.211 1.00 0.00 O ATOM 881 CB SER A 90 80.073 2.560 16.719 1.00 0.00 C ATOM 882 OG SER A 90 81.010 3.580 16.421 1.00 0.00 O ATOM 0 H SER A 90 79.866 1.043 14.672 1.00 0.00 H new ATOM 0 HA SER A 90 81.774 1.284 16.873 1.00 0.00 H new ATOM 0 HB2 SER A 90 79.232 2.621 16.028 1.00 0.00 H new ATOM 0 HB3 SER A 90 79.673 2.711 17.722 1.00 0.00 H new ATOM 0 HG SER A 90 80.573 4.455 16.486 1.00 0.00 H new ATOM 888 N PRO A 91 80.178 0.499 18.913 1.00 0.00 N ATOM 889 CA PRO A 91 79.464 -0.308 19.950 1.00 0.00 C ATOM 890 C PRO A 91 78.059 0.291 20.147 1.00 0.00 C ATOM 891 O PRO A 91 77.650 0.589 21.257 1.00 0.00 O ATOM 892 CB PRO A 91 80.331 -0.130 21.192 1.00 0.00 C ATOM 893 CG PRO A 91 80.825 1.269 21.056 1.00 0.00 C ATOM 894 CD PRO A 91 81.123 1.457 19.592 1.00 0.00 C ATOM 0 HA PRO A 91 79.330 -1.360 19.699 1.00 0.00 H new ATOM 0 HB2 PRO A 91 79.757 -0.268 22.108 1.00 0.00 H new ATOM 0 HB3 PRO A 91 81.151 -0.847 21.218 1.00 0.00 H new ATOM 0 HG2 PRO A 91 80.076 1.983 21.398 1.00 0.00 H new ATOM 0 HG3 PRO A 91 81.718 1.429 21.661 1.00 0.00 H new ATOM 0 HD2 PRO A 91 80.947 2.485 19.276 1.00 0.00 H new ATOM 0 HD3 PRO A 91 82.163 1.226 19.361 1.00 0.00 H new ATOM 902 N LYS A 92 77.324 0.462 19.070 1.00 0.00 N ATOM 903 CA LYS A 92 75.928 0.994 19.151 1.00 0.00 C ATOM 904 C LYS A 92 75.141 0.531 17.919 1.00 0.00 C ATOM 905 O LYS A 92 74.399 1.292 17.320 1.00 0.00 O ATOM 906 CB LYS A 92 76.061 2.529 19.210 1.00 0.00 C ATOM 907 CG LYS A 92 76.795 3.071 17.973 1.00 0.00 C ATOM 908 CD LYS A 92 77.162 4.540 18.199 1.00 0.00 C ATOM 909 CE LYS A 92 75.901 5.403 18.112 1.00 0.00 C ATOM 910 NZ LYS A 92 76.235 6.643 18.868 1.00 0.00 N ATOM 0 H LYS A 92 77.641 0.251 18.124 1.00 0.00 H new ATOM 0 HA LYS A 92 75.387 0.633 20.026 1.00 0.00 H new ATOM 0 HB2 LYS A 92 75.071 2.980 19.275 1.00 0.00 H new ATOM 0 HB3 LYS A 92 76.602 2.815 20.112 1.00 0.00 H new ATOM 0 HG2 LYS A 92 77.695 2.485 17.785 1.00 0.00 H new ATOM 0 HG3 LYS A 92 76.162 2.975 17.091 1.00 0.00 H new ATOM 0 HD2 LYS A 92 77.632 4.662 19.175 1.00 0.00 H new ATOM 0 HD3 LYS A 92 77.888 4.863 17.453 1.00 0.00 H new ATOM 0 HE2 LYS A 92 75.646 5.628 17.076 1.00 0.00 H new ATOM 0 HE3 LYS A 92 75.042 4.893 18.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 75.419 7.288 18.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 76.467 6.398 19.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 77.052 7.110 18.426 1.00 0.00 H new ATOM 924 N ALA A 93 75.304 -0.716 17.552 1.00 0.00 N ATOM 925 CA ALA A 93 74.912 -1.170 16.177 1.00 0.00 C ATOM 926 C ALA A 93 73.388 -1.222 16.030 1.00 0.00 C ATOM 927 O ALA A 93 72.657 -0.776 16.897 1.00 0.00 O ATOM 928 CB ALA A 93 75.513 -2.570 16.011 1.00 0.00 C ATOM 0 H ALA A 93 75.694 -1.446 18.148 1.00 0.00 H new ATOM 0 HA ALA A 93 75.277 -0.481 15.416 1.00 0.00 H new ATOM 0 HB1 ALA A 93 75.262 -2.959 15.024 1.00 0.00 H new ATOM 0 HB2 ALA A 93 76.597 -2.515 16.115 1.00 0.00 H new ATOM 0 HB3 ALA A 93 75.108 -3.233 16.776 1.00 0.00 H new ATOM 934 N GLN A 94 72.922 -1.769 14.933 1.00 0.00 N ATOM 935 CA GLN A 94 71.472 -1.678 14.572 1.00 0.00 C ATOM 936 C GLN A 94 70.979 -3.041 14.071 1.00 0.00 C ATOM 937 O GLN A 94 71.671 -4.038 14.196 1.00 0.00 O ATOM 938 CB GLN A 94 71.401 -0.617 13.457 1.00 0.00 C ATOM 939 CG GLN A 94 70.166 0.272 13.652 1.00 0.00 C ATOM 940 CD GLN A 94 69.768 0.900 12.314 1.00 0.00 C ATOM 941 OE1 GLN A 94 69.629 0.212 11.325 1.00 0.00 O ATOM 942 NE2 GLN A 94 69.578 2.190 12.245 1.00 0.00 N ATOM 0 H GLN A 94 73.494 -2.282 14.263 1.00 0.00 H new ATOM 0 HA GLN A 94 70.843 -1.405 15.419 1.00 0.00 H new ATOM 0 HB2 GLN A 94 72.304 -0.006 13.468 1.00 0.00 H new ATOM 0 HB3 GLN A 94 71.358 -1.104 12.483 1.00 0.00 H new ATOM 0 HG2 GLN A 94 69.340 -0.318 14.048 1.00 0.00 H new ATOM 0 HG3 GLN A 94 70.379 1.053 14.382 1.00 0.00 H new ATOM 0 HE21 GLN A 94 69.695 2.768 13.077 1.00 0.00 H new ATOM 0 HE22 GLN A 94 69.312 2.620 11.359 1.00 0.00 H new ATOM 951 N LEU A 95 69.791 -3.084 13.507 1.00 0.00 N ATOM 952 CA LEU A 95 69.211 -4.386 13.010 1.00 0.00 C ATOM 953 C LEU A 95 70.079 -4.923 11.860 1.00 0.00 C ATOM 954 O LEU A 95 70.905 -4.205 11.324 1.00 0.00 O ATOM 955 CB LEU A 95 67.796 -4.028 12.513 1.00 0.00 C ATOM 956 CG LEU A 95 66.840 -5.216 12.683 1.00 0.00 C ATOM 957 CD1 LEU A 95 66.615 -5.495 14.173 1.00 0.00 C ATOM 958 CD2 LEU A 95 65.499 -4.877 12.028 1.00 0.00 C ATOM 0 H LEU A 95 69.192 -2.270 13.367 1.00 0.00 H new ATOM 0 HA LEU A 95 69.179 -5.159 13.778 1.00 0.00 H new ATOM 0 HB2 LEU A 95 67.418 -3.169 13.068 1.00 0.00 H new ATOM 0 HB3 LEU A 95 67.838 -3.737 11.464 1.00 0.00 H new ATOM 0 HG LEU A 95 67.274 -6.099 12.213 1.00 0.00 H new ATOM 0 HD11 LEU A 95 65.935 -6.340 14.286 1.00 0.00 H new ATOM 0 HD12 LEU A 95 67.568 -5.730 14.647 1.00 0.00 H new ATOM 0 HD13 LEU A 95 66.181 -4.614 14.647 1.00 0.00 H new ATOM 0 HD21 LEU A 95 64.814 -5.717 12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 95 65.074 -3.994 12.505 1.00 0.00 H new ATOM 0 HD23 LEU A 95 65.652 -4.679 10.967 1.00 0.00 H new ATOM 970 N ARG A 96 69.896 -6.168 11.479 1.00 0.00 N ATOM 971 CA ARG A 96 70.919 -6.863 10.625 1.00 0.00 C ATOM 972 C ARG A 96 70.958 -6.243 9.228 1.00 0.00 C ATOM 973 O ARG A 96 69.929 -5.980 8.632 1.00 0.00 O ATOM 974 CB ARG A 96 70.470 -8.326 10.536 1.00 0.00 C ATOM 975 CG ARG A 96 71.639 -9.191 10.064 1.00 0.00 C ATOM 976 CD ARG A 96 71.210 -10.663 10.040 1.00 0.00 C ATOM 977 NE ARG A 96 72.470 -11.449 9.812 1.00 0.00 N ATOM 978 CZ ARG A 96 72.591 -12.714 10.180 1.00 0.00 C ATOM 979 NH1 ARG A 96 71.610 -13.388 10.742 1.00 0.00 N ATOM 980 NH2 ARG A 96 73.726 -13.321 9.967 1.00 0.00 N ATOM 0 H ARG A 96 69.083 -6.733 11.722 1.00 0.00 H new ATOM 0 HA ARG A 96 71.918 -6.772 11.050 1.00 0.00 H new ATOM 0 HB2 ARG A 96 70.119 -8.670 11.509 1.00 0.00 H new ATOM 0 HB3 ARG A 96 69.633 -8.419 9.844 1.00 0.00 H new ATOM 0 HG2 ARG A 96 71.958 -8.878 9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 96 72.493 -9.061 10.729 1.00 0.00 H new ATOM 0 HD2 ARG A 96 70.735 -10.948 10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 96 70.485 -10.847 9.247 1.00 0.00 H new ATOM 0 HE ARG A 96 73.260 -10.991 9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 96 70.711 -12.936 10.910 1.00 0.00 H new ATOM 0 HH12 ARG A 96 71.749 -14.362 11.010 1.00 0.00 H new ATOM 0 HH21 ARG A 96 74.497 -12.820 9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 96 73.842 -14.296 10.242 1.00 0.00 H new ATOM 994 N ARG A 97 72.145 -6.012 8.713 1.00 0.00 N ATOM 995 CA ARG A 97 72.296 -5.222 7.452 1.00 0.00 C ATOM 996 C ARG A 97 73.671 -5.473 6.820 1.00 0.00 C ATOM 997 O ARG A 97 74.564 -6.008 7.453 1.00 0.00 O ATOM 998 CB ARG A 97 72.118 -3.747 7.859 1.00 0.00 C ATOM 999 CG ARG A 97 73.199 -3.313 8.859 1.00 0.00 C ATOM 1000 CD ARG A 97 72.786 -1.999 9.526 1.00 0.00 C ATOM 1001 NE ARG A 97 73.962 -1.600 10.367 1.00 0.00 N ATOM 1002 CZ ARG A 97 74.255 -2.203 11.508 1.00 0.00 C ATOM 1003 NH1 ARG A 97 73.541 -3.197 11.987 1.00 0.00 N ATOM 1004 NH2 ARG A 97 75.297 -1.796 12.182 1.00 0.00 N ATOM 0 H ARG A 97 73.021 -6.341 9.118 1.00 0.00 H new ATOM 0 HA ARG A 97 71.561 -5.509 6.700 1.00 0.00 H new ATOM 0 HB2 ARG A 97 72.164 -3.114 6.973 1.00 0.00 H new ATOM 0 HB3 ARG A 97 71.132 -3.605 8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 97 73.341 -4.086 9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 97 74.153 -3.188 8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 97 72.556 -1.235 8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 97 71.892 -2.131 10.136 1.00 0.00 H new ATOM 0 HE ARG A 97 74.558 -0.836 10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 97 72.725 -3.532 11.475 1.00 0.00 H new ATOM 0 HH12 ARG A 97 73.803 -3.633 12.871 1.00 0.00 H new ATOM 0 HH21 ARG A 97 75.866 -1.028 11.826 1.00 0.00 H new ATOM 0 HH22 ARG A 97 75.542 -2.246 13.064 1.00 0.00 H new ATOM 1018 N THR A 98 73.832 -5.086 5.576 1.00 0.00 N ATOM 1019 CA THR A 98 75.181 -5.106 4.929 1.00 0.00 C ATOM 1020 C THR A 98 75.481 -3.726 4.339 1.00 0.00 C ATOM 1021 O THR A 98 74.578 -3.021 3.925 1.00 0.00 O ATOM 1022 CB THR A 98 75.082 -6.156 3.821 1.00 0.00 C ATOM 1023 OG1 THR A 98 74.507 -7.344 4.347 1.00 0.00 O ATOM 1024 CG2 THR A 98 76.482 -6.462 3.282 1.00 0.00 C ATOM 0 H THR A 98 73.077 -4.754 4.976 1.00 0.00 H new ATOM 0 HA THR A 98 75.980 -5.343 5.632 1.00 0.00 H new ATOM 0 HB THR A 98 74.457 -5.776 3.013 1.00 0.00 H new ATOM 0 HG1 THR A 98 75.217 -7.929 4.686 1.00 0.00 H new ATOM 0 HG21 THR A 98 76.412 -7.210 2.492 1.00 0.00 H new ATOM 0 HG22 THR A 98 76.924 -5.550 2.880 1.00 0.00 H new ATOM 0 HG23 THR A 98 77.107 -6.844 4.089 1.00 0.00 H new ATOM 1032 N ILE A 99 76.737 -3.342 4.300 1.00 0.00 N ATOM 1033 CA ILE A 99 77.104 -1.967 3.836 1.00 0.00 C ATOM 1034 C ILE A 99 78.412 -2.007 3.033 1.00 0.00 C ATOM 1035 O ILE A 99 79.217 -2.908 3.195 1.00 0.00 O ATOM 1036 CB ILE A 99 77.228 -1.121 5.121 1.00 0.00 C ATOM 1037 CG1 ILE A 99 77.525 0.338 4.756 1.00 0.00 C ATOM 1038 CG2 ILE A 99 78.345 -1.657 6.029 1.00 0.00 C ATOM 1039 CD1 ILE A 99 77.299 1.232 5.977 1.00 0.00 C ATOM 0 H ILE A 99 77.527 -3.927 4.572 1.00 0.00 H new ATOM 0 HA ILE A 99 76.360 -1.538 3.165 1.00 0.00 H new ATOM 0 HB ILE A 99 76.283 -1.182 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 99 78.554 0.434 4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 99 76.881 0.656 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 99 78.410 -1.042 6.927 1.00 0.00 H new ATOM 0 HG22 ILE A 99 78.123 -2.687 6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 99 79.295 -1.623 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 99 77.511 2.268 5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 99 76.263 1.146 6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 99 77.962 0.920 6.784 1.00 0.00 H new ATOM 1051 N GLU A 100 78.613 -1.034 2.173 1.00 0.00 N ATOM 1052 CA GLU A 100 79.865 -0.976 1.354 1.00 0.00 C ATOM 1053 C GLU A 100 80.345 0.473 1.213 1.00 0.00 C ATOM 1054 O GLU A 100 79.549 1.394 1.175 1.00 0.00 O ATOM 1055 CB GLU A 100 79.478 -1.545 -0.014 1.00 0.00 C ATOM 1056 CG GLU A 100 79.406 -3.075 0.059 1.00 0.00 C ATOM 1057 CD GLU A 100 80.816 -3.652 0.204 1.00 0.00 C ATOM 1058 OE1 GLU A 100 81.699 -3.196 -0.504 1.00 0.00 O ATOM 1059 OE2 GLU A 100 80.990 -4.542 1.022 1.00 0.00 O ATOM 0 H GLU A 100 77.956 -0.272 2.003 1.00 0.00 H new ATOM 0 HA GLU A 100 80.679 -1.537 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 100 78.515 -1.141 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 100 80.209 -1.242 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 100 78.789 -3.380 0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 100 78.932 -3.470 -0.840 1.00 0.00 H new ATOM 1066 N CYS A 101 81.645 0.664 1.133 1.00 0.00 N ATOM 1067 CA CYS A 101 82.221 2.041 0.984 1.00 0.00 C ATOM 1068 C CYS A 101 83.445 2.001 0.057 1.00 0.00 C ATOM 1069 O CYS A 101 84.275 1.114 0.163 1.00 0.00 O ATOM 1070 CB CYS A 101 82.599 2.498 2.410 1.00 0.00 C ATOM 1071 SG CYS A 101 83.809 1.378 3.182 1.00 0.00 S ATOM 0 H CYS A 101 82.337 -0.085 1.165 1.00 0.00 H new ATOM 0 HA CYS A 101 81.514 2.738 0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 101 83.011 3.506 2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 101 81.701 2.544 3.027 1.00 0.00 H new ATOM 1076 N CYS A 102 83.556 2.955 -0.842 1.00 0.00 N ATOM 1077 CA CYS A 102 84.609 2.879 -1.913 1.00 0.00 C ATOM 1078 C CYS A 102 84.926 4.272 -2.471 1.00 0.00 C ATOM 1079 O CYS A 102 84.033 5.036 -2.791 1.00 0.00 O ATOM 1080 CB CYS A 102 84.058 1.949 -3.012 1.00 0.00 C ATOM 1081 SG CYS A 102 82.428 2.494 -3.608 1.00 0.00 S ATOM 0 H CYS A 102 82.963 3.784 -0.881 1.00 0.00 H new ATOM 0 HA CYS A 102 85.544 2.488 -1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 102 84.758 1.919 -3.847 1.00 0.00 H new ATOM 0 HB3 CYS A 102 83.981 0.933 -2.623 1.00 0.00 H new ATOM 1086 N ARG A 103 86.199 4.595 -2.584 1.00 0.00 N ATOM 1087 CA ARG A 103 86.615 5.955 -3.056 1.00 0.00 C ATOM 1088 C ARG A 103 87.125 5.891 -4.505 1.00 0.00 C ATOM 1089 O ARG A 103 88.182 6.410 -4.831 1.00 0.00 O ATOM 1090 CB ARG A 103 87.735 6.376 -2.100 1.00 0.00 C ATOM 1091 CG ARG A 103 88.011 7.871 -2.267 1.00 0.00 C ATOM 1092 CD ARG A 103 89.391 8.205 -1.688 1.00 0.00 C ATOM 1093 NE ARG A 103 89.204 8.274 -0.199 1.00 0.00 N ATOM 1094 CZ ARG A 103 90.210 8.122 0.647 1.00 0.00 C ATOM 1095 NH1 ARG A 103 91.445 7.905 0.250 1.00 0.00 N ATOM 1096 NH2 ARG A 103 89.967 8.196 1.927 1.00 0.00 N ATOM 0 H ARG A 103 86.972 3.966 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 103 85.788 6.665 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 103 87.449 6.161 -1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 103 88.639 5.803 -2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 103 87.972 8.143 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 103 87.242 8.452 -1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 103 90.122 7.442 -1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 103 89.761 9.152 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 103 88.269 8.444 0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 103 91.658 7.848 -0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 103 92.190 7.794 0.938 1.00 0.00 H new ATOM 0 HH21 ARG A 103 89.017 8.368 2.257 1.00 0.00 H new ATOM 0 HH22 ARG A 103 90.727 8.082 2.598 1.00 0.00 H new ATOM 1110 N THR A 104 86.374 5.253 -5.371 1.00 0.00 N ATOM 1111 CA THR A 104 86.717 5.236 -6.828 1.00 0.00 C ATOM 1112 C THR A 104 85.456 5.476 -7.660 1.00 0.00 C ATOM 1113 O THR A 104 84.362 5.139 -7.250 1.00 0.00 O ATOM 1114 CB THR A 104 87.301 3.845 -7.088 1.00 0.00 C ATOM 1115 OG1 THR A 104 86.432 2.858 -6.554 1.00 0.00 O ATOM 1116 CG2 THR A 104 88.672 3.735 -6.419 1.00 0.00 C ATOM 0 H THR A 104 85.528 4.738 -5.127 1.00 0.00 H new ATOM 0 HA THR A 104 87.426 6.017 -7.102 1.00 0.00 H new ATOM 0 HB THR A 104 87.407 3.691 -8.162 1.00 0.00 H new ATOM 0 HG1 THR A 104 86.805 1.968 -6.722 1.00 0.00 H new ATOM 0 HG21 THR A 104 89.089 2.745 -6.604 1.00 0.00 H new ATOM 0 HG22 THR A 104 89.340 4.492 -6.831 1.00 0.00 H new ATOM 0 HG23 THR A 104 88.566 3.890 -5.345 1.00 0.00 H new ATOM 1124 N ASN A 105 85.606 6.054 -8.827 1.00 0.00 N ATOM 1125 CA ASN A 105 84.429 6.662 -9.539 1.00 0.00 C ATOM 1126 C ASN A 105 83.359 5.613 -9.871 1.00 0.00 C ATOM 1127 O ASN A 105 83.651 4.555 -10.394 1.00 0.00 O ATOM 1128 CB ASN A 105 84.981 7.317 -10.820 1.00 0.00 C ATOM 1129 CG ASN A 105 85.697 6.281 -11.699 1.00 0.00 C ATOM 1130 OD1 ASN A 105 85.062 5.454 -12.324 1.00 0.00 O ATOM 1131 ND2 ASN A 105 86.999 6.294 -11.773 1.00 0.00 N ATOM 0 H ASN A 105 86.494 6.133 -9.322 1.00 0.00 H new ATOM 0 HA ASN A 105 83.937 7.397 -8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 105 84.165 7.774 -11.380 1.00 0.00 H new ATOM 0 HB3 ASN A 105 85.673 8.116 -10.556 1.00 0.00 H new ATOM 0 HD21 ASN A 105 87.484 5.611 -12.355 1.00 0.00 H new ATOM 0 HD22 ASN A 105 87.533 6.988 -11.249 1.00 0.00 H new ATOM 1138 N LEU A 106 82.113 5.921 -9.561 1.00 0.00 N ATOM 1139 CA LEU A 106 80.958 4.996 -9.842 1.00 0.00 C ATOM 1140 C LEU A 106 81.202 3.586 -9.282 1.00 0.00 C ATOM 1141 O LEU A 106 80.665 2.618 -9.793 1.00 0.00 O ATOM 1142 CB LEU A 106 80.814 4.941 -11.373 1.00 0.00 C ATOM 1143 CG LEU A 106 80.513 6.338 -11.931 1.00 0.00 C ATOM 1144 CD1 LEU A 106 80.622 6.308 -13.457 1.00 0.00 C ATOM 1145 CD2 LEU A 106 79.099 6.761 -11.529 1.00 0.00 C ATOM 0 H LEU A 106 81.844 6.797 -9.114 1.00 0.00 H new ATOM 0 HA LEU A 106 80.053 5.365 -9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 106 81.731 4.554 -11.817 1.00 0.00 H new ATOM 0 HB3 LEU A 106 80.013 4.253 -11.645 1.00 0.00 H new ATOM 0 HG LEU A 106 81.230 7.052 -11.526 1.00 0.00 H new ATOM 0 HD11 LEU A 106 80.409 7.299 -13.857 1.00 0.00 H new ATOM 0 HD12 LEU A 106 81.631 6.010 -13.744 1.00 0.00 H new ATOM 0 HD13 LEU A 106 79.905 5.593 -13.859 1.00 0.00 H new ATOM 0 HD21 LEU A 106 78.889 7.754 -11.927 1.00 0.00 H new ATOM 0 HD22 LEU A 106 78.378 6.049 -11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 106 79.021 6.782 -10.442 1.00 0.00 H new ATOM 1157 N CYS A 107 82.009 3.468 -8.247 1.00 0.00 N ATOM 1158 CA CYS A 107 82.227 2.125 -7.598 1.00 0.00 C ATOM 1159 C CYS A 107 80.925 1.568 -6.997 1.00 0.00 C ATOM 1160 O CYS A 107 80.805 0.372 -6.796 1.00 0.00 O ATOM 1161 CB CYS A 107 83.301 2.322 -6.511 1.00 0.00 C ATOM 1162 SG CYS A 107 82.798 3.555 -5.276 1.00 0.00 S ATOM 0 H CYS A 107 82.525 4.240 -7.824 1.00 0.00 H new ATOM 0 HA CYS A 107 82.554 1.395 -8.338 1.00 0.00 H new ATOM 0 HB2 CYS A 107 83.495 1.371 -6.016 1.00 0.00 H new ATOM 0 HB3 CYS A 107 84.235 2.635 -6.977 1.00 0.00 H new ATOM 1167 N ASN A 108 79.963 2.421 -6.709 1.00 0.00 N ATOM 1168 CA ASN A 108 78.646 1.937 -6.179 1.00 0.00 C ATOM 1169 C ASN A 108 77.640 1.699 -7.315 1.00 0.00 C ATOM 1170 O ASN A 108 76.701 0.939 -7.152 1.00 0.00 O ATOM 1171 CB ASN A 108 78.152 3.047 -5.241 1.00 0.00 C ATOM 1172 CG ASN A 108 78.662 2.790 -3.819 1.00 0.00 C ATOM 1173 OD1 ASN A 108 79.590 3.427 -3.367 1.00 0.00 O ATOM 1174 ND2 ASN A 108 78.089 1.869 -3.092 1.00 0.00 N ATOM 0 H ASN A 108 80.036 3.432 -6.819 1.00 0.00 H new ATOM 0 HA ASN A 108 78.752 0.983 -5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 108 78.503 4.017 -5.593 1.00 0.00 H new ATOM 0 HB3 ASN A 108 77.063 3.082 -5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 108 78.422 1.686 -2.145 1.00 0.00 H new ATOM 0 HD22 ASN A 108 77.309 1.333 -3.471 1.00 0.00 H new ATOM 1181 N GLN A 109 77.825 2.336 -8.456 1.00 0.00 N ATOM 1182 CA GLN A 109 76.843 2.193 -9.590 1.00 0.00 C ATOM 1183 C GLN A 109 76.750 0.730 -10.049 1.00 0.00 C ATOM 1184 O GLN A 109 75.681 0.248 -10.380 1.00 0.00 O ATOM 1185 CB GLN A 109 77.383 3.070 -10.727 1.00 0.00 C ATOM 1186 CG GLN A 109 76.329 3.188 -11.830 1.00 0.00 C ATOM 1187 CD GLN A 109 76.904 3.992 -13.000 1.00 0.00 C ATOM 1188 OE1 GLN A 109 77.963 3.677 -13.505 1.00 0.00 O ATOM 1189 NE2 GLN A 109 76.244 5.021 -13.455 1.00 0.00 N ATOM 0 H GLN A 109 78.616 2.950 -8.650 1.00 0.00 H new ATOM 0 HA GLN A 109 75.842 2.496 -9.285 1.00 0.00 H new ATOM 0 HB2 GLN A 109 77.638 4.059 -10.347 1.00 0.00 H new ATOM 0 HB3 GLN A 109 78.299 2.637 -11.130 1.00 0.00 H new ATOM 0 HG2 GLN A 109 76.029 2.196 -12.169 1.00 0.00 H new ATOM 0 HG3 GLN A 109 75.435 3.677 -11.443 1.00 0.00 H new ATOM 0 HE21 GLN A 109 75.355 5.285 -13.031 1.00 0.00 H new ATOM 0 HE22 GLN A 109 76.617 5.562 -14.235 1.00 0.00 H new ATOM 1198 N TYR A 110 77.866 0.036 -10.066 1.00 0.00 N ATOM 1199 CA TYR A 110 77.869 -1.409 -10.460 1.00 0.00 C ATOM 1200 C TYR A 110 77.914 -2.333 -9.232 1.00 0.00 C ATOM 1201 O TYR A 110 78.215 -3.507 -9.360 1.00 0.00 O ATOM 1202 CB TYR A 110 79.139 -1.581 -11.295 1.00 0.00 C ATOM 1203 CG TYR A 110 79.136 -0.772 -12.572 1.00 0.00 C ATOM 1204 CD1 TYR A 110 78.190 -1.066 -13.601 1.00 0.00 C ATOM 1205 CD2 TYR A 110 80.079 0.288 -12.748 1.00 0.00 C ATOM 1206 CE1 TYR A 110 78.186 -0.301 -14.809 1.00 0.00 C ATOM 1207 CE2 TYR A 110 80.076 1.052 -13.957 1.00 0.00 C ATOM 1208 CZ TYR A 110 79.129 0.757 -14.986 1.00 0.00 C ATOM 1209 OH TYR A 110 79.125 1.497 -16.152 1.00 0.00 O ATOM 0 H TYR A 110 78.781 0.414 -9.821 1.00 0.00 H new ATOM 0 HA TYR A 110 76.963 -1.675 -11.005 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.001 -1.293 -10.694 1.00 0.00 H new ATOM 0 HB3 TYR A 110 79.261 -2.635 -11.543 1.00 0.00 H new ATOM 0 HD1 TYR A 110 77.477 -1.866 -13.467 1.00 0.00 H new ATOM 0 HD2 TYR A 110 80.793 0.512 -11.969 1.00 0.00 H new ATOM 0 HE1 TYR A 110 77.471 -0.523 -15.587 1.00 0.00 H new ATOM 0 HE2 TYR A 110 80.789 1.852 -14.092 1.00 0.00 H new ATOM 0 HH TYR A 110 79.829 2.178 -16.110 1.00 0.00 H new ATOM 1219 N LEU A 111 77.618 -1.822 -8.052 1.00 0.00 N ATOM 1220 CA LEU A 111 77.750 -2.639 -6.805 1.00 0.00 C ATOM 1221 C LEU A 111 76.381 -2.820 -6.141 1.00 0.00 C ATOM 1222 O LEU A 111 75.804 -1.874 -5.635 1.00 0.00 O ATOM 1223 CB LEU A 111 78.679 -1.825 -5.901 1.00 0.00 C ATOM 1224 CG LEU A 111 79.063 -2.654 -4.671 1.00 0.00 C ATOM 1225 CD1 LEU A 111 80.169 -3.642 -5.046 1.00 0.00 C ATOM 1226 CD2 LEU A 111 79.563 -1.723 -3.566 1.00 0.00 C ATOM 0 H LEU A 111 77.289 -0.868 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 111 78.140 -3.637 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 111 79.575 -1.536 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 111 78.185 -0.904 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 111 78.191 -3.204 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 111 80.442 -4.232 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 111 79.812 -4.306 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 111 81.042 -3.094 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 111 79.836 -2.312 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 111 80.435 -1.173 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 111 78.775 -1.020 -3.298 1.00 0.00 H new ATOM 1238 N GLN A 112 75.866 -4.030 -6.146 1.00 0.00 N ATOM 1239 CA GLN A 112 74.620 -4.336 -5.375 1.00 0.00 C ATOM 1240 C GLN A 112 74.984 -4.943 -4.004 1.00 0.00 C ATOM 1241 O GLN A 112 75.633 -5.974 -3.973 1.00 0.00 O ATOM 1242 CB GLN A 112 73.873 -5.366 -6.226 1.00 0.00 C ATOM 1243 CG GLN A 112 72.397 -5.390 -5.821 1.00 0.00 C ATOM 1244 CD GLN A 112 71.655 -4.252 -6.524 1.00 0.00 C ATOM 1245 OE1 GLN A 112 71.426 -4.305 -7.716 1.00 0.00 O ATOM 1246 NE2 GLN A 112 71.268 -3.216 -5.831 1.00 0.00 N ATOM 0 H GLN A 112 76.260 -4.821 -6.655 1.00 0.00 H new ATOM 0 HA GLN A 112 74.020 -3.445 -5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 112 73.967 -5.117 -7.283 1.00 0.00 H new ATOM 0 HB3 GLN A 112 74.314 -6.354 -6.091 1.00 0.00 H new ATOM 0 HG2 GLN A 112 71.951 -6.348 -6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 112 72.304 -5.286 -4.740 1.00 0.00 H new ATOM 0 HE21 GLN A 112 71.460 -3.171 -4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 112 70.773 -2.451 -6.290 1.00 0.00 H new ATOM 1255 N PRO A 113 74.572 -4.309 -2.912 1.00 0.00 N ATOM 1256 CA PRO A 113 74.828 -4.890 -1.564 1.00 0.00 C ATOM 1257 C PRO A 113 73.922 -6.101 -1.324 1.00 0.00 C ATOM 1258 O PRO A 113 72.733 -6.054 -1.591 1.00 0.00 O ATOM 1259 CB PRO A 113 74.489 -3.754 -0.600 1.00 0.00 C ATOM 1260 CG PRO A 113 73.529 -2.888 -1.345 1.00 0.00 C ATOM 1261 CD PRO A 113 73.853 -3.020 -2.807 1.00 0.00 C ATOM 0 HA PRO A 113 75.851 -5.246 -1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 113 74.045 -4.136 0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 113 75.382 -3.198 -0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 113 72.502 -3.196 -1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 113 73.618 -1.850 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 113 72.949 -3.019 -3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 113 74.471 -2.191 -3.153 1.00 0.00 H new ATOM 1269 N THR A 114 74.482 -7.181 -0.824 1.00 0.00 N ATOM 1270 CA THR A 114 73.666 -8.392 -0.499 1.00 0.00 C ATOM 1271 C THR A 114 74.136 -9.002 0.825 1.00 0.00 C ATOM 1272 O THR A 114 75.306 -8.932 1.160 1.00 0.00 O ATOM 1273 CB THR A 114 73.914 -9.362 -1.658 1.00 0.00 C ATOM 1274 OG1 THR A 114 75.312 -9.529 -1.844 1.00 0.00 O ATOM 1275 CG2 THR A 114 73.288 -8.804 -2.937 1.00 0.00 C ATOM 0 H THR A 114 75.479 -7.273 -0.627 1.00 0.00 H new ATOM 0 HA THR A 114 72.607 -8.160 -0.385 1.00 0.00 H new ATOM 0 HB THR A 114 73.461 -10.326 -1.427 1.00 0.00 H new ATOM 0 HG1 THR A 114 75.472 -10.151 -2.584 1.00 0.00 H new ATOM 0 HG21 THR A 114 73.465 -9.496 -3.761 1.00 0.00 H new ATOM 0 HG22 THR A 114 72.215 -8.680 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 114 73.737 -7.839 -3.171 1.00 0.00 H new ATOM 1283 N LEU A 115 73.229 -9.594 1.570 1.00 0.00 N ATOM 1284 CA LEU A 115 73.609 -10.226 2.878 1.00 0.00 C ATOM 1285 C LEU A 115 74.404 -11.522 2.624 1.00 0.00 C ATOM 1286 O LEU A 115 74.039 -12.275 1.739 1.00 0.00 O ATOM 1287 CB LEU A 115 72.287 -10.548 3.589 1.00 0.00 C ATOM 1288 CG LEU A 115 71.776 -9.299 4.307 1.00 0.00 C ATOM 1289 CD1 LEU A 115 70.270 -9.427 4.546 1.00 0.00 C ATOM 1290 CD2 LEU A 115 72.494 -9.154 5.650 1.00 0.00 C ATOM 0 H LEU A 115 72.241 -9.667 1.328 1.00 0.00 H new ATOM 0 HA LEU A 115 74.236 -9.566 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.548 -10.893 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 115 72.434 -11.357 4.305 1.00 0.00 H new ATOM 0 HG LEU A 115 71.973 -8.421 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 115 69.906 -8.536 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 115 69.757 -9.531 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 115 70.073 -10.305 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 115 72.130 -8.264 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 115 72.297 -10.032 6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 115 73.567 -9.062 5.481 1.00 0.00 H new ATOM 1302 N PRO A 116 75.465 -11.757 3.391 1.00 0.00 N ATOM 1303 CA PRO A 116 76.274 -12.992 3.195 1.00 0.00 C ATOM 1304 C PRO A 116 75.535 -14.212 3.779 1.00 0.00 C ATOM 1305 O PRO A 116 74.839 -14.067 4.767 1.00 0.00 O ATOM 1306 CB PRO A 116 77.557 -12.712 3.974 1.00 0.00 C ATOM 1307 CG PRO A 116 77.162 -11.735 5.032 1.00 0.00 C ATOM 1308 CD PRO A 116 76.012 -10.930 4.488 1.00 0.00 C ATOM 0 HA PRO A 116 76.462 -13.219 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 116 77.960 -13.625 4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 116 78.330 -12.300 3.326 1.00 0.00 H new ATOM 0 HG2 PRO A 116 76.870 -12.254 5.945 1.00 0.00 H new ATOM 0 HG3 PRO A 116 77.999 -11.086 5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 116 75.261 -10.742 5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 116 76.345 -9.958 4.124 1.00 0.00 H new ATOM 1316 N PRO A 117 75.697 -15.378 3.164 1.00 0.00 N ATOM 1317 CA PRO A 117 75.093 -16.617 3.731 1.00 0.00 C ATOM 1318 C PRO A 117 75.839 -17.033 5.003 1.00 0.00 C ATOM 1319 O PRO A 117 77.057 -17.077 5.023 1.00 0.00 O ATOM 1320 CB PRO A 117 75.275 -17.658 2.626 1.00 0.00 C ATOM 1321 CG PRO A 117 76.426 -17.165 1.810 1.00 0.00 C ATOM 1322 CD PRO A 117 76.431 -15.664 1.913 1.00 0.00 C ATOM 0 HA PRO A 117 74.048 -16.492 4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 117 75.482 -18.644 3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 117 74.374 -17.751 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 117 77.365 -17.579 2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 117 76.324 -17.479 0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 117 77.447 -15.272 1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 117 75.944 -15.205 1.053 1.00 0.00 H new ATOM 1330 N VAL A 118 75.112 -17.335 6.055 1.00 0.00 N ATOM 1331 CA VAL A 118 75.760 -17.762 7.341 1.00 0.00 C ATOM 1332 C VAL A 118 76.136 -19.247 7.247 1.00 0.00 C ATOM 1333 O VAL A 118 75.671 -19.949 6.367 1.00 0.00 O ATOM 1334 CB VAL A 118 74.716 -17.536 8.456 1.00 0.00 C ATOM 1335 CG1 VAL A 118 75.334 -17.848 9.823 1.00 0.00 C ATOM 1336 CG2 VAL A 118 74.241 -16.077 8.461 1.00 0.00 C ATOM 0 H VAL A 118 74.093 -17.304 6.079 1.00 0.00 H new ATOM 0 HA VAL A 118 76.669 -17.196 7.547 1.00 0.00 H new ATOM 0 HB VAL A 118 73.870 -18.196 8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 118 74.591 -17.686 10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 118 75.663 -18.887 9.845 1.00 0.00 H new ATOM 0 HG13 VAL A 118 76.189 -17.193 9.994 1.00 0.00 H new ATOM 0 HG21 VAL A 118 73.506 -15.936 9.253 1.00 0.00 H new ATOM 0 HG22 VAL A 118 75.092 -15.418 8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 118 73.788 -15.839 7.499 1.00 0.00 H new ATOM 1346 N VAL A 119 76.971 -19.716 8.148 1.00 0.00 N ATOM 1347 CA VAL A 119 77.398 -21.152 8.123 1.00 0.00 C ATOM 1348 C VAL A 119 76.440 -22.009 8.969 1.00 0.00 C ATOM 1349 O VAL A 119 76.364 -21.859 10.176 1.00 0.00 O ATOM 1350 CB VAL A 119 78.840 -21.158 8.678 1.00 0.00 C ATOM 1351 CG1 VAL A 119 78.890 -20.663 10.140 1.00 0.00 C ATOM 1352 CG2 VAL A 119 79.415 -22.578 8.579 1.00 0.00 C ATOM 0 H VAL A 119 77.376 -19.162 8.902 1.00 0.00 H new ATOM 0 HA VAL A 119 77.370 -21.582 7.122 1.00 0.00 H new ATOM 0 HB VAL A 119 79.441 -20.472 8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 119 79.920 -20.681 10.495 1.00 0.00 H new ATOM 0 HG12 VAL A 119 78.506 -19.644 10.192 1.00 0.00 H new ATOM 0 HG13 VAL A 119 78.279 -21.314 10.766 1.00 0.00 H new ATOM 0 HG21 VAL A 119 80.433 -22.587 8.970 1.00 0.00 H new ATOM 0 HG22 VAL A 119 78.797 -23.262 9.161 1.00 0.00 H new ATOM 0 HG23 VAL A 119 79.424 -22.895 7.536 1.00 0.00 H new ATOM 1362 N ILE A 120 75.714 -22.899 8.331 1.00 0.00 N ATOM 1363 CA ILE A 120 74.806 -23.828 9.076 1.00 0.00 C ATOM 1364 C ILE A 120 74.569 -25.108 8.253 1.00 0.00 C ATOM 1365 O ILE A 120 73.446 -25.556 8.102 1.00 0.00 O ATOM 1366 CB ILE A 120 73.508 -23.023 9.306 1.00 0.00 C ATOM 1367 CG1 ILE A 120 72.525 -23.852 10.142 1.00 0.00 C ATOM 1368 CG2 ILE A 120 72.848 -22.644 7.972 1.00 0.00 C ATOM 1369 CD1 ILE A 120 71.565 -22.917 10.883 1.00 0.00 C ATOM 0 H ILE A 120 75.713 -23.021 7.318 1.00 0.00 H new ATOM 0 HA ILE A 120 75.223 -24.162 10.026 1.00 0.00 H new ATOM 0 HB ILE A 120 73.767 -22.107 9.837 1.00 0.00 H new ATOM 0 HG12 ILE A 120 71.964 -24.529 9.497 1.00 0.00 H new ATOM 0 HG13 ILE A 120 73.070 -24.470 10.856 1.00 0.00 H new ATOM 0 HG21 ILE A 120 71.937 -22.078 8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 120 73.536 -22.035 7.386 1.00 0.00 H new ATOM 0 HG23 ILE A 120 72.602 -23.550 7.417 1.00 0.00 H new ATOM 0 HD11 ILE A 120 70.867 -23.508 11.476 1.00 0.00 H new ATOM 0 HD12 ILE A 120 72.133 -22.258 11.540 1.00 0.00 H new ATOM 0 HD13 ILE A 120 71.010 -22.318 10.161 1.00 0.00 H new ATOM 1381 N GLY A 121 75.628 -25.684 7.732 1.00 0.00 N ATOM 1382 CA GLY A 121 75.503 -26.918 6.894 1.00 0.00 C ATOM 1383 C GLY A 121 74.764 -26.588 5.585 1.00 0.00 C ATOM 1384 O GLY A 121 73.674 -27.085 5.370 1.00 0.00 O ATOM 0 H GLY A 121 76.583 -25.347 7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 121 76.492 -27.320 6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 121 74.962 -27.688 7.443 1.00 0.00 H new ATOM 1388 N PRO A 122 75.366 -25.760 4.738 1.00 0.00 N ATOM 1389 CA PRO A 122 74.696 -25.330 3.464 1.00 0.00 C ATOM 1390 C PRO A 122 74.327 -26.536 2.587 1.00 0.00 C ATOM 1391 O PRO A 122 74.985 -27.562 2.630 1.00 0.00 O ATOM 1392 CB PRO A 122 75.767 -24.477 2.781 1.00 0.00 C ATOM 1393 CG PRO A 122 76.595 -23.974 3.912 1.00 0.00 C ATOM 1394 CD PRO A 122 76.699 -25.130 4.859 1.00 0.00 C ATOM 0 HA PRO A 122 73.760 -24.799 3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 122 76.361 -25.065 2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 122 75.325 -23.658 2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 122 77.579 -23.655 3.569 1.00 0.00 H new ATOM 0 HG3 PRO A 122 76.129 -23.113 4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 122 77.499 -25.815 4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 122 76.903 -24.803 5.879 1.00 0.00 H new ATOM 1402 N PHE A 123 73.282 -26.407 1.800 1.00 0.00 N ATOM 1403 CA PHE A 123 72.849 -27.527 0.906 1.00 0.00 C ATOM 1404 C PHE A 123 72.067 -26.977 -0.293 1.00 0.00 C ATOM 1405 O PHE A 123 71.559 -25.871 -0.251 1.00 0.00 O ATOM 1406 CB PHE A 123 71.961 -28.422 1.779 1.00 0.00 C ATOM 1407 CG PHE A 123 70.748 -27.723 2.354 1.00 0.00 C ATOM 1408 CD1 PHE A 123 70.872 -26.930 3.537 1.00 0.00 C ATOM 1409 CD2 PHE A 123 69.476 -27.856 1.714 1.00 0.00 C ATOM 1410 CE1 PHE A 123 69.726 -26.270 4.079 1.00 0.00 C ATOM 1411 CE2 PHE A 123 68.329 -27.197 2.255 1.00 0.00 C ATOM 1412 CZ PHE A 123 68.455 -26.404 3.438 1.00 0.00 C ATOM 0 H PHE A 123 72.708 -25.566 1.740 1.00 0.00 H new ATOM 0 HA PHE A 123 73.695 -28.081 0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 123 71.628 -29.273 1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 123 72.560 -28.819 2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 123 71.832 -26.830 4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 123 69.382 -28.455 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 123 69.820 -25.670 4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 123 67.369 -27.298 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 123 67.589 -25.906 3.848 1.00 0.00 H new ATOM 1422 N PHE A 124 71.967 -27.753 -1.350 1.00 0.00 N ATOM 1423 CA PHE A 124 71.285 -27.279 -2.595 1.00 0.00 C ATOM 1424 C PHE A 124 70.770 -28.487 -3.390 1.00 0.00 C ATOM 1425 O PHE A 124 70.932 -28.567 -4.598 1.00 0.00 O ATOM 1426 CB PHE A 124 72.351 -26.508 -3.388 1.00 0.00 C ATOM 1427 CG PHE A 124 72.591 -25.100 -2.896 1.00 0.00 C ATOM 1428 CD1 PHE A 124 71.826 -24.018 -3.432 1.00 0.00 C ATOM 1429 CD2 PHE A 124 73.581 -24.847 -1.897 1.00 0.00 C ATOM 1430 CE1 PHE A 124 72.052 -22.684 -2.970 1.00 0.00 C ATOM 1431 CE2 PHE A 124 73.807 -23.513 -1.434 1.00 0.00 C ATOM 1432 CZ PHE A 124 73.041 -22.432 -1.971 1.00 0.00 C ATOM 0 H PHE A 124 72.333 -28.704 -1.401 1.00 0.00 H new ATOM 0 HA PHE A 124 70.425 -26.644 -2.381 1.00 0.00 H new ATOM 0 HB2 PHE A 124 73.290 -27.061 -3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 124 72.051 -26.469 -4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 124 71.077 -24.208 -4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 124 74.159 -25.664 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 124 71.475 -21.867 -3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 124 74.556 -23.322 -0.679 1.00 0.00 H new ATOM 0 HZ PHE A 124 73.210 -21.424 -1.621 1.00 0.00 H new ATOM 1442 N ASP A 125 70.144 -29.421 -2.709 1.00 0.00 N ATOM 1443 CA ASP A 125 69.628 -30.654 -3.389 1.00 0.00 C ATOM 1444 C ASP A 125 68.240 -30.390 -3.979 1.00 0.00 C ATOM 1445 O ASP A 125 67.286 -30.170 -3.252 1.00 0.00 O ATOM 1446 CB ASP A 125 69.549 -31.723 -2.294 1.00 0.00 C ATOM 1447 CG ASP A 125 69.266 -33.087 -2.928 1.00 0.00 C ATOM 1448 OD1 ASP A 125 70.209 -33.724 -3.365 1.00 0.00 O ATOM 1449 OD2 ASP A 125 68.108 -33.471 -2.966 1.00 0.00 O ATOM 0 H ASP A 125 69.968 -29.381 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 125 70.273 -30.966 -4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 125 70.485 -31.757 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 125 68.763 -31.471 -1.582 1.00 0.00 H new ATOM 1454 N GLY A 126 68.130 -30.412 -5.289 1.00 0.00 N ATOM 1455 CA GLY A 126 66.810 -30.185 -5.954 1.00 0.00 C ATOM 1456 C GLY A 126 66.480 -28.691 -5.944 1.00 0.00 C ATOM 1457 O GLY A 126 67.361 -27.860 -5.801 1.00 0.00 O ATOM 0 H GLY A 126 68.907 -30.579 -5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 126 66.840 -30.554 -6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 126 66.030 -30.743 -5.437 1.00 0.00 H new ATOM 1461 N SER A 127 65.218 -28.354 -6.093 1.00 0.00 N ATOM 1462 CA SER A 127 64.799 -26.918 -6.087 1.00 0.00 C ATOM 1463 C SER A 127 63.331 -26.801 -5.669 1.00 0.00 C ATOM 1464 O SER A 127 62.522 -27.655 -5.988 1.00 0.00 O ATOM 1465 CB SER A 127 64.992 -26.437 -7.526 1.00 0.00 C ATOM 1466 OG SER A 127 64.704 -25.048 -7.599 1.00 0.00 O ATOM 0 H SER A 127 64.456 -29.020 -6.219 1.00 0.00 H new ATOM 0 HA SER A 127 65.379 -26.321 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 127 66.015 -26.626 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 127 64.337 -26.992 -8.198 1.00 0.00 H new ATOM 0 HG SER A 127 64.828 -24.736 -8.520 1.00 0.00 H new ATOM 1472 N ILE A 128 62.990 -25.746 -4.959 1.00 0.00 N ATOM 1473 CA ILE A 128 61.576 -25.552 -4.499 1.00 0.00 C ATOM 1474 C ILE A 128 60.805 -24.757 -5.564 1.00 0.00 C ATOM 1475 O ILE A 128 61.291 -23.761 -6.072 1.00 0.00 O ATOM 1476 CB ILE A 128 61.669 -24.765 -3.174 1.00 0.00 C ATOM 1477 CG1 ILE A 128 62.480 -25.561 -2.141 1.00 0.00 C ATOM 1478 CG2 ILE A 128 60.265 -24.520 -2.603 1.00 0.00 C ATOM 1479 CD1 ILE A 128 62.860 -24.649 -0.972 1.00 0.00 C ATOM 0 H ILE A 128 63.636 -25.008 -4.678 1.00 0.00 H new ATOM 0 HA ILE A 128 61.050 -26.495 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 128 62.159 -23.813 -3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 128 61.896 -26.408 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 128 63.379 -25.968 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 128 60.344 -23.964 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 128 59.676 -23.945 -3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 128 59.776 -25.476 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 128 63.435 -25.216 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 128 63.460 -23.817 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 128 61.955 -24.264 -0.502 1.00 0.00 H new ATOM 1491 N ARG A 129 59.612 -25.200 -5.896 1.00 0.00 N ATOM 1492 CA ARG A 129 58.784 -24.490 -6.919 1.00 0.00 C ATOM 1493 C ARG A 129 57.301 -24.812 -6.718 1.00 0.00 C ATOM 1494 O ARG A 129 56.490 -23.924 -6.920 1.00 0.00 O ATOM 1495 CB ARG A 129 59.271 -25.031 -8.265 1.00 0.00 C ATOM 1496 CG ARG A 129 58.670 -24.198 -9.399 1.00 0.00 C ATOM 1497 CD ARG A 129 59.231 -24.680 -10.742 1.00 0.00 C ATOM 1498 NE ARG A 129 58.591 -26.017 -10.993 1.00 0.00 N ATOM 1499 CZ ARG A 129 58.478 -26.531 -12.206 1.00 0.00 C ATOM 1500 NH1 ARG A 129 58.934 -25.921 -13.281 1.00 0.00 N ATOM 1501 NH2 ARG A 129 57.901 -27.692 -12.345 1.00 0.00 N ATOM 1502 OXT ARG A 129 57.003 -25.940 -6.362 1.00 0.00 O ATOM 0 H ARG A 129 59.176 -26.031 -5.496 1.00 0.00 H new ATOM 0 HA ARG A 129 58.885 -23.407 -6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 129 60.359 -24.995 -8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 129 58.982 -26.076 -8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 129 57.584 -24.288 -9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 129 58.904 -23.143 -9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 129 58.995 -23.977 -11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 129 60.317 -24.766 -10.705 1.00 0.00 H new ATOM 0 HE ARG A 129 58.231 -26.547 -10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 129 59.396 -25.015 -13.196 1.00 0.00 H new ATOM 0 HH12 ARG A 129 58.825 -26.354 -14.198 1.00 0.00 H new ATOM 0 HH21 ARG A 129 57.547 -28.187 -11.526 1.00 0.00 H new ATOM 0 HH22 ARG A 129 57.804 -28.106 -13.272 1.00 0.00 H new TER 1516 ARG A 129