USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 862 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 94 THR OG1 : rot -79:sc= -0.791! USER MOD Set 1.2: A 96 TYR OH : rot 120:sc= -0.283 USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= -1.1 K(o=-1.1,f=-8.6!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.76 USER MOD Single : A 10 THR OG1 : rot -27:sc= 0.364 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -60:sc= -2.99! USER MOD Single : A 14 THR OG1 : rot 6:sc= 0.875! USER MOD Single : A 17 SER OG : rot 180:sc= -0.141 USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.128) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.0583 X(o=-0.058,f=-0.2) USER MOD Single : A 45 ASN : amide:sc= -0.0027 K(o=-0.0027,f=-1.9!) USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= 1.04 (180deg=0.706) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -0.706 K(o=-0.71,f=-2.7) USER MOD Single : A 69 ASN : amide:sc= -1.96 K(o=-2,f=-2.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= -0.0977 (180deg=-0.725) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 79 ASN : amide:sc= -3.21! C(o=-3.2!,f=-14!) USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= -2.03! (180deg=-2.83!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0307 K(o=-0.031,f=-1.9!) USER MOD Single : A 88 MET CE :methyl 177:sc= 0 (180deg=-0.00721) USER MOD Single : A 90 HIS : no HD1:sc=-0.00416 X(o=-0.0042,f=-0.28) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.558 K(o=-0.56,f=-3.7!) USER MOD Single : A 93 ASN : amide:sc= -1.55 K(o=-1.5,f=-4!) USER MOD Single : A 97 SER OG : rot 70:sc= -3.03! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -70:sc= 1.08 USER MOD Single : A 106 ASN : amide:sc=-0.00561 K(o=-0.0056,f=-1.8!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot -18:sc= 0.0473 USER MOD Single : A 115 LYS NZ :NH3+ 145:sc= -5.78! (180deg=-7.08!) USER MOD Single : A 117 ASN : amide:sc= -0.482 K(o=-0.48,f=-3.6!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -162:sc= -1.94! (180deg=-2.58!) USER MOD Single : A 124 THR OG1 : rot 14:sc= -2.8 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 116.915 12.364 -4.915 1.00 0.00 N ATOM 19 CA LYS A 2 116.558 10.949 -4.619 1.00 0.00 C ATOM 20 C LYS A 2 116.684 10.695 -3.114 1.00 0.00 C ATOM 21 O LYS A 2 117.308 11.453 -2.398 1.00 0.00 O ATOM 22 CB LYS A 2 117.489 10.008 -5.388 1.00 0.00 C ATOM 23 CG LYS A 2 117.178 10.094 -6.884 1.00 0.00 C ATOM 24 CD LYS A 2 118.091 9.138 -7.655 1.00 0.00 C ATOM 25 CE LYS A 2 117.769 9.216 -9.150 1.00 0.00 C ATOM 26 NZ LYS A 2 118.671 8.298 -9.902 1.00 0.00 N ATOM 0 HA LYS A 2 115.530 10.761 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.529 10.279 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.360 8.984 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 2 116.134 9.839 -7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 2 117.322 11.115 -7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 2 119.135 9.398 -7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 2 117.954 8.118 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 2 116.728 8.943 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 2 117.894 10.238 -9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 118.452 8.351 -10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 119.660 8.578 -9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 118.531 7.323 -9.568 1.00 0.00 H new ATOM 40 N VAL A 3 116.081 9.646 -2.626 1.00 0.00 N ATOM 41 CA VAL A 3 116.146 9.350 -1.165 1.00 0.00 C ATOM 42 C VAL A 3 117.133 8.211 -0.904 1.00 0.00 C ATOM 43 O VAL A 3 117.138 7.211 -1.591 1.00 0.00 O ATOM 44 CB VAL A 3 114.759 8.930 -0.675 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.862 8.375 0.747 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.823 10.139 -0.686 1.00 0.00 C ATOM 0 H VAL A 3 115.543 8.978 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 3 116.478 10.242 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 3 114.362 8.159 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.873 8.077 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.525 7.510 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 3 115.262 9.143 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.835 9.838 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 3 114.220 10.913 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.745 10.530 -1.701 1.00 0.00 H new ATOM 56 N LYS A 4 117.971 8.352 0.089 1.00 0.00 N ATOM 57 CA LYS A 4 118.941 7.260 0.378 1.00 0.00 C ATOM 58 C LYS A 4 118.173 6.059 0.924 1.00 0.00 C ATOM 59 O LYS A 4 117.437 6.165 1.885 1.00 0.00 O ATOM 60 CB LYS A 4 119.953 7.733 1.427 1.00 0.00 C ATOM 61 CG LYS A 4 120.639 9.021 0.961 1.00 0.00 C ATOM 62 CD LYS A 4 121.608 8.715 -0.183 1.00 0.00 C ATOM 63 CE LYS A 4 122.336 9.994 -0.591 1.00 0.00 C ATOM 64 NZ LYS A 4 123.281 9.691 -1.702 1.00 0.00 N ATOM 0 H LYS A 4 118.025 9.164 0.704 1.00 0.00 H new ATOM 0 HA LYS A 4 119.472 6.986 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.448 7.905 2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.699 6.957 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 4 119.891 9.742 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.177 9.477 1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 4 122.328 7.958 0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 4 121.064 8.306 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 4 121.617 10.750 -0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 4 122.878 10.405 0.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 123.778 10.561 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 123.974 8.983 -1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 122.752 9.318 -2.516 1.00 0.00 H new ATOM 78 N GLY A 5 118.332 4.919 0.315 1.00 0.00 N ATOM 79 CA GLY A 5 117.599 3.720 0.800 1.00 0.00 C ATOM 80 C GLY A 5 117.863 2.543 -0.134 1.00 0.00 C ATOM 81 O GLY A 5 118.517 2.679 -1.148 1.00 0.00 O ATOM 0 H GLY A 5 118.935 4.766 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.918 3.472 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.530 3.929 0.845 1.00 0.00 H new ATOM 85 N CYS A 6 117.352 1.387 0.199 1.00 0.00 N ATOM 86 CA CYS A 6 117.565 0.193 -0.667 1.00 0.00 C ATOM 87 C CYS A 6 116.221 -0.273 -1.221 1.00 0.00 C ATOM 88 O CYS A 6 115.251 -0.400 -0.500 1.00 0.00 O ATOM 89 CB CYS A 6 118.188 -0.925 0.164 1.00 0.00 C ATOM 90 SG CYS A 6 119.061 -2.081 -0.922 1.00 0.00 S ATOM 0 H CYS A 6 116.795 1.219 1.037 1.00 0.00 H new ATOM 0 HA CYS A 6 118.230 0.449 -1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.879 -0.506 0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.413 -1.451 0.723 1.00 0.00 H new ATOM 95 N ASP A 7 116.160 -0.525 -2.499 1.00 0.00 N ATOM 96 CA ASP A 7 114.881 -0.989 -3.113 1.00 0.00 C ATOM 97 C ASP A 7 115.022 -2.455 -3.531 1.00 0.00 C ATOM 98 O ASP A 7 115.714 -2.777 -4.476 1.00 0.00 O ATOM 99 CB ASP A 7 114.569 -0.135 -4.343 1.00 0.00 C ATOM 100 CG ASP A 7 113.109 -0.336 -4.748 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.521 -1.309 -4.305 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.603 0.484 -5.496 1.00 0.00 O ATOM 0 H ASP A 7 116.942 -0.430 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 7 114.071 -0.893 -2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.755 0.917 -4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.227 -0.411 -5.167 1.00 0.00 H new ATOM 107 N PHE A 8 114.362 -3.343 -2.841 1.00 0.00 N ATOM 108 CA PHE A 8 114.448 -4.786 -3.206 1.00 0.00 C ATOM 109 C PHE A 8 113.372 -5.101 -4.246 1.00 0.00 C ATOM 110 O PHE A 8 113.236 -6.219 -4.700 1.00 0.00 O ATOM 111 CB PHE A 8 114.224 -5.647 -1.961 1.00 0.00 C ATOM 112 CG PHE A 8 115.376 -5.474 -1.002 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.564 -6.187 -1.198 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.255 -4.604 0.087 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.632 -6.030 -0.306 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.321 -4.447 0.981 1.00 0.00 C ATOM 117 CZ PHE A 8 117.510 -5.159 0.784 1.00 0.00 C ATOM 0 H PHE A 8 113.767 -3.133 -2.040 1.00 0.00 H new ATOM 0 HA PHE A 8 115.434 -5.002 -3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.290 -5.364 -1.476 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.130 -6.695 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.657 -6.859 -2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.338 -4.053 0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.549 -6.580 -0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 8 116.226 -3.777 1.822 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.333 -5.037 1.472 1.00 0.00 H new ATOM 127 N THR A 9 112.588 -4.120 -4.602 1.00 0.00 N ATOM 128 CA THR A 9 111.499 -4.354 -5.591 1.00 0.00 C ATOM 129 C THR A 9 111.914 -3.853 -6.977 1.00 0.00 C ATOM 130 O THR A 9 111.334 -4.230 -7.975 1.00 0.00 O ATOM 131 CB THR A 9 110.247 -3.597 -5.138 1.00 0.00 C ATOM 132 OG1 THR A 9 110.010 -3.859 -3.762 1.00 0.00 O ATOM 133 CG2 THR A 9 109.043 -4.052 -5.962 1.00 0.00 C ATOM 0 H THR A 9 112.655 -3.165 -4.250 1.00 0.00 H new ATOM 0 HA THR A 9 111.297 -5.423 -5.651 1.00 0.00 H new ATOM 0 HB THR A 9 110.397 -2.527 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.210 -3.374 -3.470 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.154 -3.511 -5.637 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.226 -3.848 -7.017 1.00 0.00 H new ATOM 0 HG23 THR A 9 108.889 -5.122 -5.821 1.00 0.00 H new ATOM 141 N THR A 10 112.903 -3.003 -7.057 1.00 0.00 N ATOM 142 CA THR A 10 113.319 -2.491 -8.394 1.00 0.00 C ATOM 143 C THR A 10 114.776 -2.021 -8.355 1.00 0.00 C ATOM 144 O THR A 10 115.147 -1.189 -7.550 1.00 0.00 O ATOM 145 CB THR A 10 112.419 -1.315 -8.785 1.00 0.00 C ATOM 146 OG1 THR A 10 111.058 -1.698 -8.648 1.00 0.00 O ATOM 147 CG2 THR A 10 112.694 -0.914 -10.235 1.00 0.00 C ATOM 0 H THR A 10 113.435 -2.645 -6.264 1.00 0.00 H new ATOM 0 HA THR A 10 113.226 -3.293 -9.126 1.00 0.00 H new ATOM 0 HB THR A 10 112.628 -0.467 -8.133 1.00 0.00 H new ATOM 0 HG1 THR A 10 110.978 -2.668 -8.761 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.052 -0.077 -10.509 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.738 -0.619 -10.339 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.488 -1.759 -10.892 1.00 0.00 H new ATOM 155 N SER A 11 115.599 -2.539 -9.227 1.00 0.00 N ATOM 156 CA SER A 11 117.024 -2.109 -9.244 1.00 0.00 C ATOM 157 C SER A 11 117.094 -0.640 -9.655 1.00 0.00 C ATOM 158 O SER A 11 118.007 0.076 -9.295 1.00 0.00 O ATOM 159 CB SER A 11 117.805 -2.955 -10.248 1.00 0.00 C ATOM 160 OG SER A 11 119.187 -2.919 -9.921 1.00 0.00 O ATOM 0 H SER A 11 115.346 -3.238 -9.925 1.00 0.00 H new ATOM 0 HA SER A 11 117.458 -2.238 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 11 117.443 -3.983 -10.233 1.00 0.00 H new ATOM 0 HB3 SER A 11 117.649 -2.577 -11.258 1.00 0.00 H new ATOM 0 HG SER A 11 119.689 -3.463 -10.563 1.00 0.00 H new ATOM 166 N GLU A 12 116.125 -0.188 -10.405 1.00 0.00 N ATOM 167 CA GLU A 12 116.112 1.236 -10.846 1.00 0.00 C ATOM 168 C GLU A 12 114.937 1.951 -10.180 1.00 0.00 C ATOM 169 O GLU A 12 113.934 2.235 -10.805 1.00 0.00 O ATOM 170 CB GLU A 12 115.944 1.294 -12.366 1.00 0.00 C ATOM 171 CG GLU A 12 117.189 0.717 -13.044 1.00 0.00 C ATOM 172 CD GLU A 12 117.081 -0.808 -13.097 1.00 0.00 C ATOM 173 OE1 GLU A 12 116.133 -1.334 -12.539 1.00 0.00 O ATOM 174 OE2 GLU A 12 117.945 -1.423 -13.701 1.00 0.00 O ATOM 0 H GLU A 12 115.338 -0.748 -10.733 1.00 0.00 H new ATOM 0 HA GLU A 12 117.048 1.719 -10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.060 0.730 -12.666 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.788 2.324 -12.685 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.287 1.120 -14.052 1.00 0.00 H new ATOM 0 HG3 GLU A 12 118.084 1.010 -12.495 1.00 0.00 H new ATOM 181 N SER A 13 115.047 2.232 -8.913 1.00 0.00 N ATOM 182 CA SER A 13 113.931 2.916 -8.201 1.00 0.00 C ATOM 183 C SER A 13 113.822 4.369 -8.662 1.00 0.00 C ATOM 184 O SER A 13 114.790 4.983 -9.067 1.00 0.00 O ATOM 185 CB SER A 13 114.193 2.886 -6.696 1.00 0.00 C ATOM 186 OG SER A 13 114.521 1.562 -6.302 1.00 0.00 O ATOM 0 H SER A 13 115.862 2.018 -8.338 1.00 0.00 H new ATOM 0 HA SER A 13 112.999 2.398 -8.427 1.00 0.00 H new ATOM 0 HB2 SER A 13 115.008 3.565 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 13 113.312 3.231 -6.155 1.00 0.00 H new ATOM 0 HG SER A 13 113.774 0.963 -6.513 1.00 0.00 H new ATOM 192 N THR A 14 112.647 4.925 -8.582 1.00 0.00 N ATOM 193 CA THR A 14 112.458 6.344 -8.991 1.00 0.00 C ATOM 194 C THR A 14 112.445 7.211 -7.733 1.00 0.00 C ATOM 195 O THR A 14 112.320 8.417 -7.797 1.00 0.00 O ATOM 196 CB THR A 14 111.123 6.494 -9.724 1.00 0.00 C ATOM 197 OG1 THR A 14 110.716 7.854 -9.693 1.00 0.00 O ATOM 198 CG2 THR A 14 110.063 5.627 -9.041 1.00 0.00 C ATOM 0 H THR A 14 111.805 4.456 -8.249 1.00 0.00 H new ATOM 0 HA THR A 14 113.266 6.652 -9.655 1.00 0.00 H new ATOM 0 HB THR A 14 111.240 6.174 -10.759 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.426 8.399 -9.293 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.113 5.735 -9.564 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.375 4.583 -9.067 1.00 0.00 H new ATOM 0 HG23 THR A 14 109.945 5.945 -8.005 1.00 0.00 H new ATOM 206 N ILE A 15 112.592 6.595 -6.589 1.00 0.00 N ATOM 207 CA ILE A 15 112.603 7.362 -5.310 1.00 0.00 C ATOM 208 C ILE A 15 113.868 7.039 -4.509 1.00 0.00 C ATOM 209 O ILE A 15 114.271 7.800 -3.653 1.00 0.00 O ATOM 210 CB ILE A 15 111.363 7.000 -4.494 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.208 5.479 -4.454 1.00 0.00 C ATOM 212 CG2 ILE A 15 110.125 7.619 -5.146 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.208 5.096 -3.362 1.00 0.00 C ATOM 0 H ILE A 15 112.706 5.587 -6.486 1.00 0.00 H new ATOM 0 HA ILE A 15 112.595 8.429 -5.531 1.00 0.00 H new ATOM 0 HB ILE A 15 111.470 7.383 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.864 5.112 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.172 5.010 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.240 7.361 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.235 8.703 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 15 110.017 7.235 -6.160 1.00 0.00 H new ATOM 0 HD11 ILE A 15 110.098 4.012 -3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.570 5.449 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.242 5.554 -3.576 1.00 0.00 H new ATOM 225 N PHE A 16 114.485 5.908 -4.760 1.00 0.00 N ATOM 226 CA PHE A 16 115.712 5.536 -3.987 1.00 0.00 C ATOM 227 C PHE A 16 116.934 5.536 -4.907 1.00 0.00 C ATOM 228 O PHE A 16 116.870 5.124 -6.048 1.00 0.00 O ATOM 229 CB PHE A 16 115.537 4.141 -3.378 1.00 0.00 C ATOM 230 CG PHE A 16 114.592 4.214 -2.200 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.998 4.838 -1.013 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.310 3.660 -2.296 1.00 0.00 C ATOM 233 CE1 PHE A 16 114.121 4.903 0.078 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.435 3.729 -1.205 1.00 0.00 C ATOM 235 CZ PHE A 16 112.841 4.349 -0.019 1.00 0.00 C ATOM 0 H PHE A 16 114.193 5.230 -5.464 1.00 0.00 H new ATOM 0 HA PHE A 16 115.861 6.267 -3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.147 3.453 -4.128 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.503 3.750 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.986 5.268 -0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 16 112.996 3.180 -3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 16 114.434 5.381 0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.445 3.303 -1.279 1.00 0.00 H new ATOM 0 HZ PHE A 16 112.166 4.400 0.822 1.00 0.00 H new ATOM 245 N SER A 17 118.042 6.016 -4.415 1.00 0.00 N ATOM 246 CA SER A 17 119.280 6.071 -5.247 1.00 0.00 C ATOM 247 C SER A 17 119.875 4.671 -5.425 1.00 0.00 C ATOM 248 O SER A 17 120.697 4.455 -6.291 1.00 0.00 O ATOM 249 CB SER A 17 120.310 6.971 -4.567 1.00 0.00 C ATOM 250 OG SER A 17 119.973 8.332 -4.803 1.00 0.00 O ATOM 0 H SER A 17 118.145 6.375 -3.466 1.00 0.00 H new ATOM 0 HA SER A 17 119.022 6.471 -6.227 1.00 0.00 H new ATOM 0 HB2 SER A 17 120.334 6.771 -3.496 1.00 0.00 H new ATOM 0 HB3 SER A 17 121.307 6.759 -4.953 1.00 0.00 H new ATOM 0 HG SER A 17 120.631 8.912 -4.366 1.00 0.00 H new ATOM 256 N LYS A 18 119.488 3.721 -4.610 1.00 0.00 N ATOM 257 CA LYS A 18 120.067 2.346 -4.750 1.00 0.00 C ATOM 258 C LYS A 18 118.960 1.291 -4.717 1.00 0.00 C ATOM 259 O LYS A 18 117.985 1.413 -4.002 1.00 0.00 O ATOM 260 CB LYS A 18 121.040 2.095 -3.599 1.00 0.00 C ATOM 261 CG LYS A 18 122.191 3.105 -3.660 1.00 0.00 C ATOM 262 CD LYS A 18 123.064 2.819 -4.885 1.00 0.00 C ATOM 263 CE LYS A 18 124.438 3.460 -4.691 1.00 0.00 C ATOM 264 NZ LYS A 18 124.289 4.939 -4.602 1.00 0.00 N ATOM 0 H LYS A 18 118.804 3.834 -3.862 1.00 0.00 H new ATOM 0 HA LYS A 18 120.588 2.276 -5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.519 2.181 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.432 1.080 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.795 4.119 -3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.790 3.043 -2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.169 1.743 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 18 122.590 3.214 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 18 124.905 3.076 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 18 125.093 3.199 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 125.226 5.386 -4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 123.697 5.276 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 123.839 5.189 -3.698 1.00 0.00 H new ATOM 278 N GLY A 19 119.115 0.247 -5.485 1.00 0.00 N ATOM 279 CA GLY A 19 118.083 -0.827 -5.505 1.00 0.00 C ATOM 280 C GLY A 19 118.689 -2.110 -6.074 1.00 0.00 C ATOM 281 O GLY A 19 119.794 -2.114 -6.576 1.00 0.00 O ATOM 0 H GLY A 19 119.914 0.092 -6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.710 -1.005 -4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.231 -0.516 -6.110 1.00 0.00 H new ATOM 285 N TYR A 20 117.969 -3.200 -6.001 1.00 0.00 N ATOM 286 CA TYR A 20 118.493 -4.493 -6.537 1.00 0.00 C ATOM 287 C TYR A 20 117.524 -5.047 -7.584 1.00 0.00 C ATOM 288 O TYR A 20 116.360 -4.700 -7.615 1.00 0.00 O ATOM 289 CB TYR A 20 118.626 -5.503 -5.396 1.00 0.00 C ATOM 290 CG TYR A 20 119.864 -5.203 -4.587 1.00 0.00 C ATOM 291 CD1 TYR A 20 119.900 -4.081 -3.752 1.00 0.00 C ATOM 292 CD2 TYR A 20 120.973 -6.054 -4.665 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.047 -3.808 -2.997 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.119 -5.782 -3.910 1.00 0.00 C ATOM 295 CZ TYR A 20 122.157 -4.658 -3.076 1.00 0.00 C ATOM 296 OH TYR A 20 123.286 -4.390 -2.330 1.00 0.00 O ATOM 0 H TYR A 20 117.036 -3.251 -5.591 1.00 0.00 H new ATOM 0 HA TYR A 20 119.468 -4.322 -6.994 1.00 0.00 H new ATOM 0 HB2 TYR A 20 117.744 -5.461 -4.757 1.00 0.00 H new ATOM 0 HB3 TYR A 20 118.680 -6.515 -5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.044 -3.426 -3.690 1.00 0.00 H new ATOM 0 HD2 TYR A 20 120.944 -6.921 -5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.076 -2.941 -2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 20 122.974 -6.439 -3.970 1.00 0.00 H new ATOM 0 HH TYR A 20 123.962 -5.078 -2.501 1.00 0.00 H new ATOM 527 N ILE A 36 120.996 -10.600 2.117 1.00 0.00 N ATOM 528 CA ILE A 36 121.326 -9.363 1.354 1.00 0.00 C ATOM 529 C ILE A 36 121.358 -8.186 2.324 1.00 0.00 C ATOM 530 O ILE A 36 120.412 -7.949 3.045 1.00 0.00 O ATOM 531 CB ILE A 36 120.258 -9.109 0.288 1.00 0.00 C ATOM 532 CG1 ILE A 36 119.984 -10.404 -0.480 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.749 -8.034 -0.682 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.291 -10.943 -1.057 1.00 0.00 C ATOM 0 HA ILE A 36 122.295 -9.479 0.868 1.00 0.00 H new ATOM 0 HB ILE A 36 119.340 -8.771 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.535 -11.144 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.269 -10.219 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 36 119.988 -7.854 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.942 -7.111 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.668 -8.370 -1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.094 -11.865 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 36 121.722 -10.205 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 36 121.991 -11.144 -0.246 1.00 0.00 H new ATOM 546 N VAL A 37 122.441 -7.452 2.357 1.00 0.00 N ATOM 547 CA VAL A 37 122.526 -6.292 3.293 1.00 0.00 C ATOM 548 C VAL A 37 122.777 -5.005 2.509 1.00 0.00 C ATOM 549 O VAL A 37 123.715 -4.905 1.742 1.00 0.00 O ATOM 550 CB VAL A 37 123.675 -6.514 4.274 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.925 -5.226 5.064 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.311 -7.644 5.239 1.00 0.00 C ATOM 0 H VAL A 37 123.267 -7.605 1.778 1.00 0.00 H new ATOM 0 HA VAL A 37 121.586 -6.205 3.837 1.00 0.00 H new ATOM 0 HB VAL A 37 124.577 -6.784 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.745 -5.382 5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.184 -4.422 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 37 123.024 -4.956 5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.131 -7.803 5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.410 -7.376 5.790 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.132 -8.560 4.676 1.00 0.00 H new ATOM 562 N CYS A 38 121.960 -4.011 2.719 1.00 0.00 N ATOM 563 CA CYS A 38 122.169 -2.720 2.007 1.00 0.00 C ATOM 564 C CYS A 38 122.808 -1.730 2.979 1.00 0.00 C ATOM 565 O CYS A 38 122.145 -1.164 3.825 1.00 0.00 O ATOM 566 CB CYS A 38 120.823 -2.163 1.540 1.00 0.00 C ATOM 567 SG CYS A 38 120.066 -3.294 0.346 1.00 0.00 S ATOM 0 H CYS A 38 121.159 -4.036 3.351 1.00 0.00 H new ATOM 0 HA CYS A 38 122.813 -2.875 1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.160 -2.026 2.395 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.964 -1.182 1.086 1.00 0.00 H new ATOM 572 N THR A 39 124.090 -1.510 2.869 1.00 0.00 N ATOM 573 CA THR A 39 124.761 -0.557 3.795 1.00 0.00 C ATOM 574 C THR A 39 124.921 0.795 3.103 1.00 0.00 C ATOM 575 O THR A 39 125.537 0.904 2.062 1.00 0.00 O ATOM 576 CB THR A 39 126.139 -1.105 4.180 1.00 0.00 C ATOM 577 OG1 THR A 39 125.980 -2.329 4.885 1.00 0.00 O ATOM 578 CG2 THR A 39 126.861 -0.092 5.069 1.00 0.00 C ATOM 0 H THR A 39 124.700 -1.949 2.179 1.00 0.00 H new ATOM 0 HA THR A 39 124.157 -0.434 4.694 1.00 0.00 H new ATOM 0 HB THR A 39 126.727 -1.279 3.279 1.00 0.00 H new ATOM 0 HG1 THR A 39 126.861 -2.682 5.131 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.841 -0.482 5.343 1.00 0.00 H new ATOM 0 HG22 THR A 39 126.982 0.846 4.527 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.275 0.083 5.971 1.00 0.00 H new ATOM 586 N VAL A 40 124.383 1.828 3.689 1.00 0.00 N ATOM 587 CA VAL A 40 124.513 3.184 3.079 1.00 0.00 C ATOM 588 C VAL A 40 124.735 4.216 4.186 1.00 0.00 C ATOM 589 O VAL A 40 124.348 4.014 5.320 1.00 0.00 O ATOM 590 CB VAL A 40 123.233 3.523 2.307 1.00 0.00 C ATOM 591 CG1 VAL A 40 123.099 2.588 1.103 1.00 0.00 C ATOM 592 CG2 VAL A 40 122.021 3.342 3.225 1.00 0.00 C ATOM 0 H VAL A 40 123.859 1.794 4.563 1.00 0.00 H new ATOM 0 HA VAL A 40 125.360 3.198 2.393 1.00 0.00 H new ATOM 0 HB VAL A 40 123.281 4.556 1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 40 122.189 2.829 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.961 2.712 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 40 123.052 1.555 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 40 121.110 3.583 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.975 2.308 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.113 4.006 4.085 1.00 0.00 H new ATOM 602 N LYS A 41 125.345 5.325 3.870 1.00 0.00 N ATOM 603 CA LYS A 41 125.577 6.363 4.913 1.00 0.00 C ATOM 604 C LYS A 41 124.463 7.410 4.845 1.00 0.00 C ATOM 605 O LYS A 41 124.118 7.896 3.786 1.00 0.00 O ATOM 606 CB LYS A 41 126.927 7.037 4.673 1.00 0.00 C ATOM 607 CG LYS A 41 128.049 6.021 4.894 1.00 0.00 C ATOM 608 CD LYS A 41 129.405 6.716 4.758 1.00 0.00 C ATOM 609 CE LYS A 41 129.671 7.048 3.288 1.00 0.00 C ATOM 610 NZ LYS A 41 131.111 7.376 3.108 1.00 0.00 N ATOM 0 H LYS A 41 125.691 5.557 2.939 1.00 0.00 H new ATOM 0 HA LYS A 41 125.577 5.895 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.973 7.431 3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 41 127.049 7.883 5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 41 127.957 5.572 5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.969 5.212 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 41 129.418 7.628 5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 41 130.195 6.071 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 41 129.398 6.202 2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 41 129.053 7.890 2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 131.293 7.602 2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 131.357 8.196 3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 131.691 6.560 3.390 1.00 0.00 H new ATOM 624 N ALA A 42 123.895 7.754 5.968 1.00 0.00 N ATOM 625 CA ALA A 42 122.798 8.765 5.970 1.00 0.00 C ATOM 626 C ALA A 42 123.342 10.111 6.451 1.00 0.00 C ATOM 627 O ALA A 42 124.379 10.182 7.080 1.00 0.00 O ATOM 628 CB ALA A 42 121.684 8.299 6.906 1.00 0.00 C ATOM 0 H ALA A 42 124.142 7.380 6.884 1.00 0.00 H new ATOM 0 HA ALA A 42 122.403 8.877 4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.880 9.035 6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.296 7.341 6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 42 122.080 8.188 7.916 1.00 0.00 H new ATOM 634 N HIS A 43 122.654 11.182 6.155 1.00 0.00 N ATOM 635 CA HIS A 43 123.136 12.527 6.588 1.00 0.00 C ATOM 636 C HIS A 43 121.978 13.309 7.215 1.00 0.00 C ATOM 637 O HIS A 43 120.822 13.073 6.922 1.00 0.00 O ATOM 638 CB HIS A 43 123.672 13.291 5.376 1.00 0.00 C ATOM 639 CG HIS A 43 124.596 14.382 5.840 1.00 0.00 C ATOM 640 ND1 HIS A 43 125.763 14.113 6.540 1.00 0.00 N ATOM 641 CD2 HIS A 43 124.542 15.748 5.708 1.00 0.00 C ATOM 642 CE1 HIS A 43 126.359 15.292 6.802 1.00 0.00 C ATOM 643 NE2 HIS A 43 125.655 16.316 6.315 1.00 0.00 N ATOM 0 H HIS A 43 121.778 11.184 5.632 1.00 0.00 H new ATOM 0 HA HIS A 43 123.932 12.408 7.323 1.00 0.00 H new ATOM 0 HB2 HIS A 43 124.201 12.611 4.709 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.846 13.717 4.807 1.00 0.00 H new ATOM 0 HD2 HIS A 43 123.756 16.296 5.209 1.00 0.00 H new ATOM 0 HE1 HIS A 43 127.290 15.396 7.339 1.00 0.00 H new ATOM 0 HE2 HIS A 43 125.886 17.308 6.376 1.00 0.00 H new ATOM 652 N ALA A 44 122.283 14.228 8.087 1.00 0.00 N ATOM 653 CA ALA A 44 121.206 15.023 8.750 1.00 0.00 C ATOM 654 C ALA A 44 120.306 15.661 7.690 1.00 0.00 C ATOM 655 O ALA A 44 119.156 15.964 7.943 1.00 0.00 O ATOM 656 CB ALA A 44 121.848 16.121 9.608 1.00 0.00 C ATOM 0 H ALA A 44 123.233 14.465 8.372 1.00 0.00 H new ATOM 0 HA ALA A 44 120.605 14.368 9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.067 16.705 10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.486 15.665 10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.448 16.774 8.974 1.00 0.00 H new ATOM 662 N ASN A 45 120.818 15.878 6.513 1.00 0.00 N ATOM 663 CA ASN A 45 119.990 16.502 5.442 1.00 0.00 C ATOM 664 C ASN A 45 119.505 15.424 4.471 1.00 0.00 C ATOM 665 O ASN A 45 118.495 15.575 3.813 1.00 0.00 O ATOM 666 CB ASN A 45 120.834 17.527 4.680 1.00 0.00 C ATOM 667 CG ASN A 45 121.101 18.738 5.576 1.00 0.00 C ATOM 668 OD1 ASN A 45 120.411 18.952 6.552 1.00 0.00 O ATOM 669 ND2 ASN A 45 122.085 19.547 5.283 1.00 0.00 N ATOM 0 H ASN A 45 121.775 15.651 6.244 1.00 0.00 H new ATOM 0 HA ASN A 45 119.130 16.996 5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.777 17.077 4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 45 120.315 17.839 3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 45 122.273 20.357 5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 45 122.665 19.368 4.463 1.00 0.00 H new ATOM 676 N ASP A 46 120.229 14.343 4.365 1.00 0.00 N ATOM 677 CA ASP A 46 119.823 13.261 3.422 1.00 0.00 C ATOM 678 C ASP A 46 118.588 12.536 3.956 1.00 0.00 C ATOM 679 O ASP A 46 118.531 12.150 5.106 1.00 0.00 O ATOM 680 CB ASP A 46 120.969 12.259 3.286 1.00 0.00 C ATOM 681 CG ASP A 46 122.023 12.802 2.319 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.773 13.835 1.720 1.00 0.00 O ATOM 683 OD2 ASP A 46 123.065 12.179 2.198 1.00 0.00 O ATOM 0 H ASP A 46 121.084 14.162 4.891 1.00 0.00 H new ATOM 0 HA ASP A 46 119.590 13.701 2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.419 12.073 4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.588 11.304 2.924 1.00 0.00 H new ATOM 688 N LEU A 47 117.598 12.340 3.129 1.00 0.00 N ATOM 689 CA LEU A 47 116.371 11.631 3.589 1.00 0.00 C ATOM 690 C LEU A 47 116.678 10.138 3.638 1.00 0.00 C ATOM 691 O LEU A 47 117.438 9.634 2.829 1.00 0.00 O ATOM 692 CB LEU A 47 115.225 11.883 2.602 1.00 0.00 C ATOM 693 CG LEU A 47 115.155 13.374 2.247 1.00 0.00 C ATOM 694 CD1 LEU A 47 114.335 13.549 0.968 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.492 14.152 3.388 1.00 0.00 C ATOM 0 H LEU A 47 117.586 12.640 2.154 1.00 0.00 H new ATOM 0 HA LEU A 47 116.074 11.993 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.376 11.293 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.280 11.560 3.039 1.00 0.00 H new ATOM 0 HG LEU A 47 116.164 13.756 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 47 114.282 14.607 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 47 114.810 13.001 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 47 113.328 13.163 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 47 114.446 15.210 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.482 13.773 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 47 115.075 14.027 4.300 1.00 0.00 H new ATOM 707 N ILE A 48 116.103 9.422 4.577 1.00 0.00 N ATOM 708 CA ILE A 48 116.381 7.957 4.669 1.00 0.00 C ATOM 709 C ILE A 48 115.079 7.159 4.585 1.00 0.00 C ATOM 710 O ILE A 48 114.039 7.580 5.053 1.00 0.00 O ATOM 711 CB ILE A 48 117.064 7.666 6.009 1.00 0.00 C ATOM 712 CG1 ILE A 48 116.167 8.142 7.158 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.404 8.400 6.075 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.744 7.663 8.491 1.00 0.00 C ATOM 0 H ILE A 48 115.458 9.788 5.278 1.00 0.00 H new ATOM 0 HA ILE A 48 117.027 7.664 3.841 1.00 0.00 H new ATOM 0 HB ILE A 48 117.233 6.593 6.099 1.00 0.00 H new ATOM 0 HG12 ILE A 48 116.096 9.230 7.151 1.00 0.00 H new ATOM 0 HG13 ILE A 48 115.156 7.756 7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.887 8.191 7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 48 119.045 8.060 5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.236 9.473 5.981 1.00 0.00 H new ATOM 0 HD11 ILE A 48 116.105 8.002 9.307 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.792 6.574 8.496 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.746 8.071 8.621 1.00 0.00 H new ATOM 726 N GLY A 49 115.135 6.002 3.986 1.00 0.00 N ATOM 727 CA GLY A 49 113.907 5.161 3.865 1.00 0.00 C ATOM 728 C GLY A 49 114.234 3.895 3.071 1.00 0.00 C ATOM 729 O GLY A 49 115.374 3.643 2.739 1.00 0.00 O ATOM 0 H GLY A 49 115.978 5.601 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.535 4.897 4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.116 5.722 3.367 1.00 0.00 H new ATOM 733 N PHE A 50 113.249 3.095 2.762 1.00 0.00 N ATOM 734 CA PHE A 50 113.522 1.852 1.982 1.00 0.00 C ATOM 735 C PHE A 50 112.200 1.228 1.526 1.00 0.00 C ATOM 736 O PHE A 50 111.132 1.634 1.945 1.00 0.00 O ATOM 737 CB PHE A 50 114.292 0.854 2.845 1.00 0.00 C ATOM 738 CG PHE A 50 113.400 0.341 3.949 1.00 0.00 C ATOM 739 CD1 PHE A 50 112.619 -0.801 3.739 1.00 0.00 C ATOM 740 CD2 PHE A 50 113.359 1.003 5.181 1.00 0.00 C ATOM 741 CE1 PHE A 50 111.795 -1.283 4.762 1.00 0.00 C ATOM 742 CE2 PHE A 50 112.533 0.522 6.204 1.00 0.00 C ATOM 743 CZ PHE A 50 111.752 -0.621 5.995 1.00 0.00 C ATOM 0 H PHE A 50 112.272 3.246 3.014 1.00 0.00 H new ATOM 0 HA PHE A 50 114.122 2.104 1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.643 0.023 2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.175 1.331 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 50 112.652 -1.310 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 50 113.963 1.883 5.343 1.00 0.00 H new ATOM 0 HE1 PHE A 50 111.193 -2.165 4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 50 112.498 1.033 7.155 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.116 -0.992 6.785 1.00 0.00 H new ATOM 753 N LYS A 51 112.262 0.246 0.664 1.00 0.00 N ATOM 754 CA LYS A 51 111.007 -0.399 0.178 1.00 0.00 C ATOM 755 C LYS A 51 111.260 -1.878 -0.110 1.00 0.00 C ATOM 756 O LYS A 51 112.325 -2.261 -0.550 1.00 0.00 O ATOM 757 CB LYS A 51 110.544 0.301 -1.100 1.00 0.00 C ATOM 758 CG LYS A 51 109.266 -0.361 -1.618 1.00 0.00 C ATOM 759 CD LYS A 51 108.796 0.358 -2.884 1.00 0.00 C ATOM 760 CE LYS A 51 107.511 -0.293 -3.398 1.00 0.00 C ATOM 761 NZ LYS A 51 106.354 0.182 -2.585 1.00 0.00 N ATOM 0 H LYS A 51 113.125 -0.136 0.277 1.00 0.00 H new ATOM 0 HA LYS A 51 110.236 -0.314 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.363 1.357 -0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.325 0.248 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.450 -1.414 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.489 -0.322 -0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.621 1.413 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.571 0.311 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.359 -0.043 -4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 51 107.591 -1.378 -3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 105.477 0.076 -3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 106.287 -0.382 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 106.490 1.184 -2.340 1.00 0.00 H new ATOM 775 N CYS A 52 110.282 -2.716 0.132 1.00 0.00 N ATOM 776 CA CYS A 52 110.440 -4.174 -0.131 1.00 0.00 C ATOM 777 C CYS A 52 109.307 -4.629 -1.062 1.00 0.00 C ATOM 778 O CYS A 52 108.233 -4.061 -1.055 1.00 0.00 O ATOM 779 CB CYS A 52 110.343 -4.934 1.198 1.00 0.00 C ATOM 780 SG CYS A 52 111.735 -4.483 2.265 1.00 0.00 S ATOM 0 H CYS A 52 109.372 -2.445 0.505 1.00 0.00 H new ATOM 0 HA CYS A 52 111.406 -4.373 -0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.401 -4.699 1.694 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.347 -6.008 1.014 1.00 0.00 H new ATOM 785 N PRO A 53 109.532 -5.649 -1.855 1.00 0.00 N ATOM 786 CA PRO A 53 108.498 -6.172 -2.796 1.00 0.00 C ATOM 787 C PRO A 53 107.166 -6.454 -2.089 1.00 0.00 C ATOM 788 O PRO A 53 107.125 -6.766 -0.916 1.00 0.00 O ATOM 789 CB PRO A 53 109.110 -7.471 -3.353 1.00 0.00 C ATOM 790 CG PRO A 53 110.319 -7.749 -2.517 1.00 0.00 C ATOM 791 CD PRO A 53 110.780 -6.412 -1.957 1.00 0.00 C ATOM 0 HA PRO A 53 108.261 -5.448 -3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.398 -8.294 -3.295 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.380 -7.356 -4.403 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.081 -8.444 -1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.105 -8.210 -3.115 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.264 -6.526 -0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.498 -5.924 -2.616 1.00 0.00 H new ATOM 799 N SER A 54 106.078 -6.328 -2.797 1.00 0.00 N ATOM 800 CA SER A 54 104.741 -6.565 -2.179 1.00 0.00 C ATOM 801 C SER A 54 104.551 -8.053 -1.863 1.00 0.00 C ATOM 802 O SER A 54 103.621 -8.431 -1.179 1.00 0.00 O ATOM 803 CB SER A 54 103.650 -6.114 -3.150 1.00 0.00 C ATOM 804 OG SER A 54 103.990 -4.839 -3.678 1.00 0.00 O ATOM 0 H SER A 54 106.057 -6.069 -3.783 1.00 0.00 H new ATOM 0 HA SER A 54 104.677 -5.997 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.544 -6.838 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 54 102.689 -6.064 -2.638 1.00 0.00 H new ATOM 0 HG SER A 54 103.293 -4.547 -4.303 1.00 0.00 H new ATOM 810 N ASN A 55 105.408 -8.901 -2.360 1.00 0.00 N ATOM 811 CA ASN A 55 105.250 -10.360 -2.085 1.00 0.00 C ATOM 812 C ASN A 55 106.027 -10.748 -0.825 1.00 0.00 C ATOM 813 O ASN A 55 105.993 -11.881 -0.394 1.00 0.00 O ATOM 814 CB ASN A 55 105.791 -11.159 -3.272 1.00 0.00 C ATOM 815 CG ASN A 55 104.937 -10.882 -4.510 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.728 -10.991 -4.465 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.519 -10.523 -5.620 1.00 0.00 N ATOM 0 H ASN A 55 106.207 -8.651 -2.942 1.00 0.00 H new ATOM 0 HA ASN A 55 104.193 -10.580 -1.936 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.828 -10.885 -3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.780 -12.224 -3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.959 -10.333 -6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.534 -10.432 -5.657 1.00 0.00 H new ATOM 824 N TYR A 56 106.725 -9.819 -0.231 1.00 0.00 N ATOM 825 CA TYR A 56 107.508 -10.130 1.005 1.00 0.00 C ATOM 826 C TYR A 56 106.861 -9.474 2.226 1.00 0.00 C ATOM 827 O TYR A 56 106.037 -8.589 2.103 1.00 0.00 O ATOM 828 CB TYR A 56 108.937 -9.625 0.835 1.00 0.00 C ATOM 829 CG TYR A 56 109.732 -10.623 0.024 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.445 -10.814 -1.333 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.763 -11.351 0.630 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.189 -11.733 -2.083 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.506 -12.270 -0.120 1.00 0.00 C ATOM 834 CZ TYR A 56 111.219 -12.461 -1.476 1.00 0.00 C ATOM 835 OH TYR A 56 111.951 -13.367 -2.216 1.00 0.00 O ATOM 0 H TYR A 56 106.789 -8.852 -0.548 1.00 0.00 H new ATOM 0 HA TYR A 56 107.519 -11.209 1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.934 -8.655 0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.401 -9.481 1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.650 -10.253 -1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.985 -11.203 1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.968 -11.880 -3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.301 -12.832 0.348 1.00 0.00 H new ATOM 0 HH TYR A 56 112.627 -13.786 -1.644 1.00 0.00 H new ATOM 845 N SER A 57 107.234 -9.902 3.408 1.00 0.00 N ATOM 846 CA SER A 57 106.645 -9.298 4.641 1.00 0.00 C ATOM 847 C SER A 57 107.689 -8.392 5.297 1.00 0.00 C ATOM 848 O SER A 57 108.841 -8.756 5.433 1.00 0.00 O ATOM 849 CB SER A 57 106.248 -10.409 5.612 1.00 0.00 C ATOM 850 OG SER A 57 105.792 -9.828 6.826 1.00 0.00 O ATOM 0 H SER A 57 107.918 -10.641 3.570 1.00 0.00 H new ATOM 0 HA SER A 57 105.761 -8.715 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 57 105.465 -11.028 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.100 -11.061 5.805 1.00 0.00 H new ATOM 0 HG SER A 57 105.535 -10.537 7.452 1.00 0.00 H new ATOM 856 N VAL A 58 107.306 -7.207 5.692 1.00 0.00 N ATOM 857 CA VAL A 58 108.294 -6.287 6.322 1.00 0.00 C ATOM 858 C VAL A 58 108.326 -6.497 7.839 1.00 0.00 C ATOM 859 O VAL A 58 107.349 -6.294 8.533 1.00 0.00 O ATOM 860 CB VAL A 58 107.917 -4.835 6.010 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.548 -4.708 4.531 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.721 -4.414 6.869 1.00 0.00 C ATOM 0 H VAL A 58 106.358 -6.839 5.606 1.00 0.00 H new ATOM 0 HA VAL A 58 109.283 -6.502 5.917 1.00 0.00 H new ATOM 0 HB VAL A 58 108.767 -4.189 6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 58 107.280 -3.675 4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 58 108.400 -5.001 3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.701 -5.358 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.457 -3.381 6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.871 -5.061 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.982 -4.500 7.924 1.00 0.00 H new ATOM 872 N GLU A 59 109.464 -6.883 8.352 1.00 0.00 N ATOM 873 CA GLU A 59 109.609 -7.096 9.819 1.00 0.00 C ATOM 874 C GLU A 59 110.752 -6.202 10.316 1.00 0.00 C ATOM 875 O GLU A 59 111.842 -6.247 9.782 1.00 0.00 O ATOM 876 CB GLU A 59 109.962 -8.559 10.102 1.00 0.00 C ATOM 877 CG GLU A 59 108.694 -9.416 10.074 1.00 0.00 C ATOM 878 CD GLU A 59 109.054 -10.850 9.676 1.00 0.00 C ATOM 879 OE1 GLU A 59 109.783 -11.011 8.711 1.00 0.00 O ATOM 880 OE2 GLU A 59 108.597 -11.762 10.344 1.00 0.00 O ATOM 0 H GLU A 59 110.309 -7.062 7.809 1.00 0.00 H new ATOM 0 HA GLU A 59 108.675 -6.852 10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.672 -8.921 9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.447 -8.644 11.074 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.216 -9.409 11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.977 -9.000 9.366 1.00 0.00 H new ATOM 887 N PRO A 60 110.524 -5.388 11.316 1.00 0.00 N ATOM 888 CA PRO A 60 111.580 -4.483 11.842 1.00 0.00 C ATOM 889 C PRO A 60 112.574 -5.219 12.739 1.00 0.00 C ATOM 890 O PRO A 60 112.236 -5.673 13.811 1.00 0.00 O ATOM 891 CB PRO A 60 110.789 -3.460 12.657 1.00 0.00 C ATOM 892 CG PRO A 60 109.581 -4.196 13.129 1.00 0.00 C ATOM 893 CD PRO A 60 109.258 -5.231 12.052 1.00 0.00 C ATOM 0 HA PRO A 60 112.180 -4.045 11.045 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.375 -3.084 13.496 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.514 -2.598 12.049 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.771 -4.679 14.088 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.743 -3.514 13.276 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.932 -6.174 12.490 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.456 -4.889 11.398 1.00 0.00 H new ATOM 901 N HIS A 61 113.804 -5.319 12.319 1.00 0.00 N ATOM 902 CA HIS A 61 114.822 -6.003 13.162 1.00 0.00 C ATOM 903 C HIS A 61 115.530 -4.945 14.003 1.00 0.00 C ATOM 904 O HIS A 61 116.065 -5.223 15.055 1.00 0.00 O ATOM 905 CB HIS A 61 115.830 -6.729 12.274 1.00 0.00 C ATOM 906 CG HIS A 61 116.554 -7.770 13.084 1.00 0.00 C ATOM 907 ND1 HIS A 61 116.411 -7.865 14.460 1.00 0.00 N ATOM 908 CD2 HIS A 61 117.433 -8.764 12.727 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.185 -8.884 14.879 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.826 -9.462 13.863 1.00 0.00 N ATOM 0 H HIS A 61 114.148 -4.957 11.429 1.00 0.00 H new ATOM 0 HA HIS A 61 114.344 -6.738 13.810 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.319 -7.198 11.433 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.542 -6.017 11.857 1.00 0.00 H new ATOM 0 HD1 HIS A 61 115.826 -7.271 15.048 1.00 0.00 H new ATOM 0 HD2 HIS A 61 117.766 -8.971 11.721 1.00 0.00 H new ATOM 0 HE1 HIS A 61 117.275 -9.194 15.910 1.00 0.00 H new ATOM 919 N ASP A 62 115.521 -3.727 13.538 1.00 0.00 N ATOM 920 CA ASP A 62 116.171 -2.616 14.285 1.00 0.00 C ATOM 921 C ASP A 62 115.775 -1.295 13.622 1.00 0.00 C ATOM 922 O ASP A 62 116.590 -0.418 13.420 1.00 0.00 O ATOM 923 CB ASP A 62 117.691 -2.783 14.247 1.00 0.00 C ATOM 924 CG ASP A 62 118.345 -1.715 15.127 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.630 -0.847 15.600 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.549 -1.783 15.312 1.00 0.00 O ATOM 0 H ASP A 62 115.084 -3.451 12.659 1.00 0.00 H new ATOM 0 HA ASP A 62 115.848 -2.624 15.326 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.967 -3.777 14.598 1.00 0.00 H new ATOM 0 HB3 ASP A 62 118.051 -2.695 13.222 1.00 0.00 H new ATOM 931 N CYS A 63 114.522 -1.158 13.271 1.00 0.00 N ATOM 932 CA CYS A 63 114.053 0.091 12.605 1.00 0.00 C ATOM 933 C CYS A 63 114.124 1.261 13.587 1.00 0.00 C ATOM 934 O CYS A 63 114.930 1.261 14.495 1.00 0.00 O ATOM 935 CB CYS A 63 112.614 -0.101 12.118 1.00 0.00 C ATOM 936 SG CYS A 63 112.585 -1.368 10.825 1.00 0.00 S ATOM 0 H CYS A 63 113.800 -1.863 13.419 1.00 0.00 H new ATOM 0 HA CYS A 63 114.694 0.310 11.751 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.973 -0.398 12.948 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.220 0.839 11.731 1.00 0.00 H new ATOM 941 N PHE A 64 113.305 2.273 13.405 1.00 0.00 N ATOM 942 CA PHE A 64 113.357 3.449 14.329 1.00 0.00 C ATOM 943 C PHE A 64 112.109 3.517 15.223 1.00 0.00 C ATOM 944 O PHE A 64 112.215 3.515 16.435 1.00 0.00 O ATOM 945 CB PHE A 64 113.484 4.736 13.511 1.00 0.00 C ATOM 946 CG PHE A 64 112.565 4.683 12.316 1.00 0.00 C ATOM 947 CD1 PHE A 64 112.934 3.947 11.183 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.350 5.375 12.336 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.085 3.901 10.071 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.503 5.330 11.224 1.00 0.00 C ATOM 951 CZ PHE A 64 110.870 4.594 10.092 1.00 0.00 C ATOM 0 H PHE A 64 112.609 2.334 12.662 1.00 0.00 H new ATOM 0 HA PHE A 64 114.226 3.336 14.978 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.236 5.597 14.132 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.515 4.867 13.181 1.00 0.00 H new ATOM 0 HD1 PHE A 64 113.874 3.415 11.167 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.066 5.944 13.209 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.368 3.331 9.198 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.564 5.864 11.239 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.215 4.561 9.234 1.00 0.00 H new ATOM 961 N VAL A 65 110.932 3.585 14.658 1.00 0.00 N ATOM 962 CA VAL A 65 109.714 3.665 15.525 1.00 0.00 C ATOM 963 C VAL A 65 109.821 2.609 16.627 1.00 0.00 C ATOM 964 O VAL A 65 110.042 2.919 17.781 1.00 0.00 O ATOM 965 CB VAL A 65 108.452 3.408 14.693 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.279 3.098 15.629 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.119 4.653 13.868 1.00 0.00 C ATOM 0 H VAL A 65 110.760 3.589 13.653 1.00 0.00 H new ATOM 0 HA VAL A 65 109.648 4.661 15.964 1.00 0.00 H new ATOM 0 HB VAL A 65 108.626 2.563 14.027 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.381 2.915 15.039 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.510 2.213 16.221 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.110 3.945 16.294 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.222 4.469 13.277 1.00 0.00 H new ATOM 0 HG22 VAL A 65 107.947 5.497 14.536 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.951 4.882 13.202 1.00 0.00 H new ATOM 977 N SER A 66 109.681 1.362 16.274 1.00 0.00 N ATOM 978 CA SER A 66 109.792 0.275 17.285 1.00 0.00 C ATOM 979 C SER A 66 110.537 -0.895 16.647 1.00 0.00 C ATOM 980 O SER A 66 110.226 -1.306 15.546 1.00 0.00 O ATOM 981 CB SER A 66 108.395 -0.174 17.719 1.00 0.00 C ATOM 982 OG SER A 66 108.514 -1.183 18.714 1.00 0.00 O ATOM 0 H SER A 66 109.493 1.047 15.322 1.00 0.00 H new ATOM 0 HA SER A 66 110.331 0.631 18.163 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.833 0.674 18.110 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.840 -0.556 16.862 1.00 0.00 H new ATOM 0 HG SER A 66 107.621 -1.472 18.996 1.00 0.00 H new ATOM 988 N ALA A 67 111.527 -1.430 17.309 1.00 0.00 N ATOM 989 CA ALA A 67 112.282 -2.559 16.695 1.00 0.00 C ATOM 990 C ALA A 67 113.236 -3.181 17.716 1.00 0.00 C ATOM 991 O ALA A 67 113.367 -2.719 18.830 1.00 0.00 O ATOM 992 CB ALA A 67 113.091 -2.029 15.513 1.00 0.00 C ATOM 0 H ALA A 67 111.842 -1.140 18.235 1.00 0.00 H new ATOM 0 HA ALA A 67 111.576 -3.320 16.362 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.647 -2.848 15.057 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.416 -1.594 14.776 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.788 -1.267 15.862 1.00 0.00 H new ATOM 998 N PHE A 68 113.898 -4.237 17.334 1.00 0.00 N ATOM 999 CA PHE A 68 114.845 -4.908 18.269 1.00 0.00 C ATOM 1000 C PHE A 68 116.247 -4.330 18.045 1.00 0.00 C ATOM 1001 O PHE A 68 116.646 -4.068 16.930 1.00 0.00 O ATOM 1002 CB PHE A 68 114.871 -6.414 17.986 1.00 0.00 C ATOM 1003 CG PHE A 68 113.466 -6.917 17.737 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.833 -6.641 16.517 1.00 0.00 C ATOM 1005 CD2 PHE A 68 112.800 -7.667 18.714 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.538 -7.113 16.275 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.502 -8.138 18.471 1.00 0.00 C ATOM 1008 CZ PHE A 68 110.872 -7.860 17.250 1.00 0.00 C ATOM 0 H PHE A 68 113.824 -4.666 16.412 1.00 0.00 H new ATOM 0 HA PHE A 68 114.527 -4.741 19.298 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.499 -6.619 17.119 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.312 -6.944 18.831 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.346 -6.063 15.762 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.286 -7.883 19.654 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.053 -6.900 15.334 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.987 -8.715 19.225 1.00 0.00 H new ATOM 0 HZ PHE A 68 109.872 -8.223 17.063 1.00 0.00 H new ATOM 1018 N ASN A 69 116.998 -4.122 19.089 1.00 0.00 N ATOM 1019 CA ASN A 69 118.368 -3.556 18.917 1.00 0.00 C ATOM 1020 C ASN A 69 119.345 -4.669 18.536 1.00 0.00 C ATOM 1021 O ASN A 69 118.952 -5.780 18.242 1.00 0.00 O ATOM 1022 CB ASN A 69 118.822 -2.906 20.225 1.00 0.00 C ATOM 1023 CG ASN A 69 118.066 -1.594 20.431 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.520 -1.040 19.498 1.00 0.00 O ATOM 1025 ND2 ASN A 69 118.011 -1.069 21.623 1.00 0.00 N ATOM 0 H ASN A 69 116.725 -4.318 20.052 1.00 0.00 H new ATOM 0 HA ASN A 69 118.349 -2.807 18.125 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.637 -3.580 21.062 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.895 -2.719 20.197 1.00 0.00 H new ATOM 0 HD21 ASN A 69 117.510 -0.193 21.772 1.00 0.00 H new ATOM 0 HD22 ASN A 69 118.469 -1.534 22.407 1.00 0.00 H new ATOM 1032 N LEU A 70 120.617 -4.378 18.537 1.00 0.00 N ATOM 1033 CA LEU A 70 121.621 -5.416 18.175 1.00 0.00 C ATOM 1034 C LEU A 70 121.615 -6.511 19.242 1.00 0.00 C ATOM 1035 O LEU A 70 122.128 -7.594 19.041 1.00 0.00 O ATOM 1036 CB LEU A 70 123.012 -4.779 18.095 1.00 0.00 C ATOM 1037 CG LEU A 70 123.167 -4.048 16.758 1.00 0.00 C ATOM 1038 CD1 LEU A 70 122.242 -2.832 16.732 1.00 0.00 C ATOM 1039 CD2 LEU A 70 124.617 -3.587 16.591 1.00 0.00 C ATOM 0 H LEU A 70 121.004 -3.464 18.773 1.00 0.00 H new ATOM 0 HA LEU A 70 121.371 -5.848 17.206 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.151 -4.081 18.921 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.780 -5.546 18.193 1.00 0.00 H new ATOM 0 HG LEU A 70 122.905 -4.724 15.944 1.00 0.00 H new ATOM 0 HD11 LEU A 70 122.352 -2.311 15.781 1.00 0.00 H new ATOM 0 HD12 LEU A 70 121.209 -3.158 16.850 1.00 0.00 H new ATOM 0 HD13 LEU A 70 122.505 -2.158 17.547 1.00 0.00 H new ATOM 0 HD21 LEU A 70 124.726 -3.067 15.639 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.880 -2.912 17.406 1.00 0.00 H new ATOM 0 HD23 LEU A 70 125.279 -4.453 16.609 1.00 0.00 H new ATOM 1051 N SER A 71 121.026 -6.239 20.377 1.00 0.00 N ATOM 1052 CA SER A 71 120.970 -7.266 21.454 1.00 0.00 C ATOM 1053 C SER A 71 119.743 -8.152 21.230 1.00 0.00 C ATOM 1054 O SER A 71 119.557 -9.154 21.890 1.00 0.00 O ATOM 1055 CB SER A 71 120.854 -6.574 22.813 1.00 0.00 C ATOM 1056 OG SER A 71 122.009 -5.777 23.033 1.00 0.00 O ATOM 0 H SER A 71 120.582 -5.349 20.603 1.00 0.00 H new ATOM 0 HA SER A 71 121.875 -7.873 21.434 1.00 0.00 H new ATOM 0 HB2 SER A 71 119.958 -5.953 22.843 1.00 0.00 H new ATOM 0 HB3 SER A 71 120.754 -7.316 23.605 1.00 0.00 H new ATOM 0 HG SER A 71 121.938 -5.330 23.902 1.00 0.00 H new ATOM 1062 N GLY A 72 118.907 -7.786 20.295 1.00 0.00 N ATOM 1063 CA GLY A 72 117.691 -8.596 20.016 1.00 0.00 C ATOM 1064 C GLY A 72 116.605 -8.260 21.037 1.00 0.00 C ATOM 1065 O GLY A 72 115.689 -9.026 21.257 1.00 0.00 O ATOM 0 H GLY A 72 119.017 -6.957 19.711 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.331 -8.394 19.007 1.00 0.00 H new ATOM 0 HA3 GLY A 72 117.931 -9.658 20.062 1.00 0.00 H new ATOM 1069 N LYS A 73 116.700 -7.118 21.665 1.00 0.00 N ATOM 1070 CA LYS A 73 115.671 -6.729 22.675 1.00 0.00 C ATOM 1071 C LYS A 73 114.785 -5.627 22.089 1.00 0.00 C ATOM 1072 O LYS A 73 115.262 -4.717 21.442 1.00 0.00 O ATOM 1073 CB LYS A 73 116.374 -6.208 23.932 1.00 0.00 C ATOM 1074 CG LYS A 73 117.368 -7.256 24.446 1.00 0.00 C ATOM 1075 CD LYS A 73 116.614 -8.380 25.162 1.00 0.00 C ATOM 1076 CE LYS A 73 117.615 -9.361 25.772 1.00 0.00 C ATOM 1077 NZ LYS A 73 118.442 -8.656 26.793 1.00 0.00 N ATOM 0 H LYS A 73 117.446 -6.437 21.522 1.00 0.00 H new ATOM 0 HA LYS A 73 115.057 -7.592 22.932 1.00 0.00 H new ATOM 0 HB2 LYS A 73 116.896 -5.278 23.708 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.638 -5.983 24.704 1.00 0.00 H new ATOM 0 HG2 LYS A 73 117.943 -7.664 23.614 1.00 0.00 H new ATOM 0 HG3 LYS A 73 118.080 -6.791 25.128 1.00 0.00 H new ATOM 0 HD2 LYS A 73 115.976 -7.964 25.942 1.00 0.00 H new ATOM 0 HD3 LYS A 73 115.962 -8.899 24.460 1.00 0.00 H new ATOM 0 HE2 LYS A 73 117.088 -10.198 26.230 1.00 0.00 H new ATOM 0 HE3 LYS A 73 118.255 -9.776 24.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 118.829 -9.349 27.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 119.223 -8.156 26.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 117.851 -7.970 27.305 1.00 0.00 H new ATOM 1091 N ASN A 74 113.498 -5.702 22.308 1.00 0.00 N ATOM 1092 CA ASN A 74 112.583 -4.659 21.753 1.00 0.00 C ATOM 1093 C ASN A 74 112.877 -3.308 22.413 1.00 0.00 C ATOM 1094 O ASN A 74 112.860 -3.176 23.620 1.00 0.00 O ATOM 1095 CB ASN A 74 111.131 -5.055 22.028 1.00 0.00 C ATOM 1096 CG ASN A 74 110.195 -4.066 21.330 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.605 -2.984 20.960 1.00 0.00 O ATOM 1098 ND2 ASN A 74 108.948 -4.395 21.131 1.00 0.00 N ATOM 0 H ASN A 74 113.041 -6.438 22.846 1.00 0.00 H new ATOM 0 HA ASN A 74 112.742 -4.577 20.678 1.00 0.00 H new ATOM 0 HB2 ASN A 74 110.944 -6.067 21.668 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.940 -5.058 23.101 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.317 -3.743 20.664 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.604 -5.304 21.442 1.00 0.00 H new ATOM 1105 N GLU A 75 113.161 -2.306 21.622 1.00 0.00 N ATOM 1106 CA GLU A 75 113.473 -0.960 22.186 1.00 0.00 C ATOM 1107 C GLU A 75 112.903 0.129 21.270 1.00 0.00 C ATOM 1108 O GLU A 75 112.547 -0.123 20.134 1.00 0.00 O ATOM 1109 CB GLU A 75 114.993 -0.791 22.299 1.00 0.00 C ATOM 1110 CG GLU A 75 115.537 -1.724 23.384 1.00 0.00 C ATOM 1111 CD GLU A 75 115.020 -1.274 24.753 1.00 0.00 C ATOM 1112 OE1 GLU A 75 114.441 -0.203 24.824 1.00 0.00 O ATOM 1113 OE2 GLU A 75 115.210 -2.011 25.706 1.00 0.00 O ATOM 0 H GLU A 75 113.190 -2.363 20.604 1.00 0.00 H new ATOM 0 HA GLU A 75 113.023 -0.871 23.175 1.00 0.00 H new ATOM 0 HB2 GLU A 75 115.466 -1.015 21.343 1.00 0.00 H new ATOM 0 HB3 GLU A 75 115.237 0.244 22.540 1.00 0.00 H new ATOM 0 HG2 GLU A 75 115.226 -2.750 23.186 1.00 0.00 H new ATOM 0 HG3 GLU A 75 116.627 -1.714 23.374 1.00 0.00 H new ATOM 1120 N ASN A 76 112.822 1.342 21.756 1.00 0.00 N ATOM 1121 CA ASN A 76 112.288 2.457 20.916 1.00 0.00 C ATOM 1122 C ASN A 76 113.445 3.368 20.484 1.00 0.00 C ATOM 1123 O ASN A 76 114.327 3.676 21.262 1.00 0.00 O ATOM 1124 CB ASN A 76 111.265 3.262 21.721 1.00 0.00 C ATOM 1125 CG ASN A 76 109.936 2.502 21.762 1.00 0.00 C ATOM 1126 OD1 ASN A 76 109.870 1.395 22.260 1.00 0.00 O ATOM 1127 ND2 ASN A 76 108.868 3.050 21.245 1.00 0.00 N ATOM 0 H ASN A 76 113.103 1.609 22.700 1.00 0.00 H new ATOM 0 HA ASN A 76 111.802 2.047 20.031 1.00 0.00 H new ATOM 0 HB2 ASN A 76 111.633 3.428 22.734 1.00 0.00 H new ATOM 0 HB3 ASN A 76 111.121 4.243 21.269 1.00 0.00 H new ATOM 0 HD21 ASN A 76 107.980 2.549 21.260 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.923 3.979 20.827 1.00 0.00 H new ATOM 1134 N LEU A 77 113.452 3.796 19.248 1.00 0.00 N ATOM 1135 CA LEU A 77 114.556 4.680 18.769 1.00 0.00 C ATOM 1136 C LEU A 77 114.133 6.151 18.874 1.00 0.00 C ATOM 1137 O LEU A 77 114.935 7.047 18.711 1.00 0.00 O ATOM 1138 CB LEU A 77 114.865 4.346 17.307 1.00 0.00 C ATOM 1139 CG LEU A 77 116.276 4.825 16.941 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.315 3.810 17.430 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.391 4.970 15.423 1.00 0.00 C ATOM 0 H LEU A 77 112.742 3.572 18.551 1.00 0.00 H new ATOM 0 HA LEU A 77 115.441 4.518 19.384 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.785 3.271 17.147 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.131 4.820 16.655 1.00 0.00 H new ATOM 0 HG LEU A 77 116.458 5.788 17.417 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.314 4.157 17.167 1.00 0.00 H new ATOM 0 HD12 LEU A 77 117.241 3.706 18.512 1.00 0.00 H new ATOM 0 HD13 LEU A 77 117.130 2.844 16.959 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.394 5.310 15.165 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.202 4.006 14.950 1.00 0.00 H new ATOM 0 HD23 LEU A 77 115.659 5.697 15.070 1.00 0.00 H new ATOM 1153 N GLU A 78 112.877 6.410 19.126 1.00 0.00 N ATOM 1154 CA GLU A 78 112.419 7.826 19.223 1.00 0.00 C ATOM 1155 C GLU A 78 113.154 8.525 20.370 1.00 0.00 C ATOM 1156 O GLU A 78 113.608 9.644 20.234 1.00 0.00 O ATOM 1157 CB GLU A 78 110.906 7.859 19.468 1.00 0.00 C ATOM 1158 CG GLU A 78 110.598 7.465 20.915 1.00 0.00 C ATOM 1159 CD GLU A 78 110.777 8.681 21.826 1.00 0.00 C ATOM 1160 OE1 GLU A 78 110.436 9.772 21.396 1.00 0.00 O ATOM 1161 OE2 GLU A 78 111.250 8.504 22.935 1.00 0.00 O ATOM 0 H GLU A 78 112.152 5.706 19.268 1.00 0.00 H new ATOM 0 HA GLU A 78 112.640 8.347 18.291 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.519 8.857 19.265 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.404 7.176 18.782 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.578 7.088 20.991 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.260 6.659 21.232 1.00 0.00 H new ATOM 1168 N ASN A 79 113.282 7.878 21.496 1.00 0.00 N ATOM 1169 CA ASN A 79 113.996 8.515 22.637 1.00 0.00 C ATOM 1170 C ASN A 79 115.460 8.733 22.245 1.00 0.00 C ATOM 1171 O ASN A 79 116.154 9.551 22.817 1.00 0.00 O ATOM 1172 CB ASN A 79 113.925 7.597 23.860 1.00 0.00 C ATOM 1173 CG ASN A 79 114.532 6.236 23.512 1.00 0.00 C ATOM 1174 OD1 ASN A 79 115.187 6.092 22.500 1.00 0.00 O ATOM 1175 ND2 ASN A 79 114.337 5.224 24.314 1.00 0.00 N ATOM 0 H ASN A 79 112.924 6.940 21.674 1.00 0.00 H new ATOM 0 HA ASN A 79 113.531 9.471 22.878 1.00 0.00 H new ATOM 0 HB2 ASN A 79 114.463 8.044 24.696 1.00 0.00 H new ATOM 0 HB3 ASN A 79 112.889 7.475 24.177 1.00 0.00 H new ATOM 0 HD21 ASN A 79 114.735 4.312 24.090 1.00 0.00 H new ATOM 0 HD22 ASN A 79 113.787 5.346 25.164 1.00 0.00 H new ATOM 1182 N LYS A 80 115.929 8.013 21.262 1.00 0.00 N ATOM 1183 CA LYS A 80 117.340 8.180 20.809 1.00 0.00 C ATOM 1184 C LYS A 80 117.410 9.262 19.734 1.00 0.00 C ATOM 1185 O LYS A 80 118.280 10.112 19.744 1.00 0.00 O ATOM 1186 CB LYS A 80 117.854 6.852 20.244 1.00 0.00 C ATOM 1187 CG LYS A 80 119.282 7.029 19.718 1.00 0.00 C ATOM 1188 CD LYS A 80 119.871 5.661 19.370 1.00 0.00 C ATOM 1189 CE LYS A 80 121.304 5.834 18.864 1.00 0.00 C ATOM 1190 NZ LYS A 80 121.914 4.495 18.624 1.00 0.00 N ATOM 0 H LYS A 80 115.392 7.312 20.750 1.00 0.00 H new ATOM 0 HA LYS A 80 117.961 8.477 21.654 1.00 0.00 H new ATOM 0 HB2 LYS A 80 117.834 6.085 21.018 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.201 6.511 19.441 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.279 7.670 18.837 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.899 7.522 20.469 1.00 0.00 H new ATOM 0 HD2 LYS A 80 119.860 5.015 20.248 1.00 0.00 H new ATOM 0 HD3 LYS A 80 119.262 5.174 18.608 1.00 0.00 H new ATOM 0 HE2 LYS A 80 121.307 6.417 17.943 1.00 0.00 H new ATOM 0 HE3 LYS A 80 121.894 6.388 19.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 122.950 4.582 18.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 121.629 3.843 19.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 121.589 4.124 17.708 1.00 0.00 H new ATOM 1204 N LEU A 81 116.495 9.237 18.806 1.00 0.00 N ATOM 1205 CA LEU A 81 116.488 10.258 17.721 1.00 0.00 C ATOM 1206 C LEU A 81 115.067 10.801 17.546 1.00 0.00 C ATOM 1207 O LEU A 81 114.139 10.057 17.302 1.00 0.00 O ATOM 1208 CB LEU A 81 116.951 9.605 16.416 1.00 0.00 C ATOM 1209 CG LEU A 81 117.088 10.663 15.321 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.158 11.687 15.717 1.00 0.00 C ATOM 1211 CD2 LEU A 81 117.492 9.983 14.011 1.00 0.00 C ATOM 0 H LEU A 81 115.745 8.547 18.752 1.00 0.00 H new ATOM 0 HA LEU A 81 117.159 11.077 17.979 1.00 0.00 H new ATOM 0 HB2 LEU A 81 117.906 9.103 16.570 1.00 0.00 H new ATOM 0 HB3 LEU A 81 116.236 8.842 16.108 1.00 0.00 H new ATOM 0 HG LEU A 81 116.135 11.175 15.191 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.251 12.438 14.933 1.00 0.00 H new ATOM 0 HD12 LEU A 81 117.871 12.171 16.651 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.114 11.181 15.850 1.00 0.00 H new ATOM 0 HD21 LEU A 81 117.591 10.734 13.227 1.00 0.00 H new ATOM 0 HD22 LEU A 81 118.445 9.471 14.146 1.00 0.00 H new ATOM 0 HD23 LEU A 81 116.728 9.259 13.726 1.00 0.00 H new ATOM 1223 N LYS A 82 114.887 12.087 17.662 1.00 0.00 N ATOM 1224 CA LYS A 82 113.521 12.661 17.493 1.00 0.00 C ATOM 1225 C LYS A 82 113.196 12.770 16.001 1.00 0.00 C ATOM 1226 O LYS A 82 113.395 13.798 15.385 1.00 0.00 O ATOM 1227 CB LYS A 82 113.467 14.049 18.134 1.00 0.00 C ATOM 1228 CG LYS A 82 112.030 14.359 18.563 1.00 0.00 C ATOM 1229 CD LYS A 82 111.993 15.687 19.325 1.00 0.00 C ATOM 1230 CE LYS A 82 112.492 15.480 20.758 1.00 0.00 C ATOM 1231 NZ LYS A 82 112.159 16.676 21.577 1.00 0.00 N ATOM 0 H LYS A 82 115.622 12.764 17.866 1.00 0.00 H new ATOM 0 HA LYS A 82 112.791 12.012 17.976 1.00 0.00 H new ATOM 0 HB2 LYS A 82 114.132 14.089 18.997 1.00 0.00 H new ATOM 0 HB3 LYS A 82 113.817 14.801 17.427 1.00 0.00 H new ATOM 0 HG2 LYS A 82 111.383 14.413 17.688 1.00 0.00 H new ATOM 0 HG3 LYS A 82 111.647 13.556 19.193 1.00 0.00 H new ATOM 0 HD2 LYS A 82 112.614 16.425 18.817 1.00 0.00 H new ATOM 0 HD3 LYS A 82 110.977 16.081 19.338 1.00 0.00 H new ATOM 0 HE2 LYS A 82 112.032 14.591 21.190 1.00 0.00 H new ATOM 0 HE3 LYS A 82 113.569 15.314 20.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 112.498 16.536 22.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 112.618 17.515 21.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 111.128 16.815 21.586 1.00 0.00 H new ATOM 1245 N LEU A 83 112.705 11.712 15.415 1.00 0.00 N ATOM 1246 CA LEU A 83 112.374 11.744 13.961 1.00 0.00 C ATOM 1247 C LEU A 83 111.097 12.554 13.732 1.00 0.00 C ATOM 1248 O LEU A 83 110.201 12.566 14.551 1.00 0.00 O ATOM 1249 CB LEU A 83 112.162 10.315 13.456 1.00 0.00 C ATOM 1250 CG LEU A 83 113.490 9.552 13.487 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.229 8.070 13.211 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.435 10.111 12.419 1.00 0.00 C ATOM 0 H LEU A 83 112.518 10.824 15.882 1.00 0.00 H new ATOM 0 HA LEU A 83 113.197 12.210 13.419 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.425 9.806 14.077 1.00 0.00 H new ATOM 0 HB3 LEU A 83 111.766 10.333 12.441 1.00 0.00 H new ATOM 0 HG LEU A 83 113.950 9.668 14.469 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.172 7.524 13.232 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.561 7.670 13.974 1.00 0.00 H new ATOM 0 HD13 LEU A 83 112.767 7.958 12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.378 9.565 12.446 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.979 10.000 11.435 1.00 0.00 H new ATOM 0 HD23 LEU A 83 114.622 11.167 12.615 1.00 0.00 H new ATOM 1264 N THR A 84 111.012 13.230 12.615 1.00 0.00 N ATOM 1265 CA THR A 84 109.793 14.042 12.318 1.00 0.00 C ATOM 1266 C THR A 84 109.251 13.657 10.939 1.00 0.00 C ATOM 1267 O THR A 84 109.949 13.083 10.128 1.00 0.00 O ATOM 1268 CB THR A 84 110.157 15.530 12.321 1.00 0.00 C ATOM 1269 OG1 THR A 84 111.035 15.802 11.237 1.00 0.00 O ATOM 1270 CG2 THR A 84 110.843 15.891 13.639 1.00 0.00 C ATOM 0 H THR A 84 111.734 13.255 11.895 1.00 0.00 H new ATOM 0 HA THR A 84 109.035 13.851 13.077 1.00 0.00 H new ATOM 0 HB THR A 84 109.250 16.125 12.215 1.00 0.00 H new ATOM 0 HG1 THR A 84 111.268 16.754 11.236 1.00 0.00 H new ATOM 0 HG21 THR A 84 111.100 16.950 13.637 1.00 0.00 H new ATOM 0 HG22 THR A 84 110.168 15.683 14.469 1.00 0.00 H new ATOM 0 HG23 THR A 84 111.750 15.297 13.751 1.00 0.00 H new ATOM 1278 N ASN A 85 108.011 13.970 10.664 1.00 0.00 N ATOM 1279 CA ASN A 85 107.431 13.622 9.335 1.00 0.00 C ATOM 1280 C ASN A 85 107.625 12.129 9.067 1.00 0.00 C ATOM 1281 O ASN A 85 108.128 11.733 8.035 1.00 0.00 O ATOM 1282 CB ASN A 85 108.132 14.434 8.244 1.00 0.00 C ATOM 1283 CG ASN A 85 107.729 15.905 8.362 1.00 0.00 C ATOM 1284 OD1 ASN A 85 106.733 16.227 8.980 1.00 0.00 O ATOM 1285 ND2 ASN A 85 108.465 16.818 7.790 1.00 0.00 N ATOM 0 H ASN A 85 107.377 14.451 11.302 1.00 0.00 H new ATOM 0 HA ASN A 85 106.366 13.854 9.332 1.00 0.00 H new ATOM 0 HB2 ASN A 85 109.213 14.334 8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 85 107.862 14.050 7.260 1.00 0.00 H new ATOM 0 HD21 ASN A 85 108.205 17.802 7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 85 109.301 16.548 7.271 1.00 0.00 H new ATOM 1292 N ILE A 86 107.240 11.297 9.995 1.00 0.00 N ATOM 1293 CA ILE A 86 107.412 9.828 9.807 1.00 0.00 C ATOM 1294 C ILE A 86 106.306 9.281 8.899 1.00 0.00 C ATOM 1295 O ILE A 86 105.137 9.539 9.102 1.00 0.00 O ATOM 1296 CB ILE A 86 107.351 9.144 11.173 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.531 9.616 12.027 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.426 7.628 10.993 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.331 9.164 13.476 1.00 0.00 C ATOM 0 H ILE A 86 106.812 11.572 10.879 1.00 0.00 H new ATOM 0 HA ILE A 86 108.376 9.629 9.338 1.00 0.00 H new ATOM 0 HB ILE A 86 106.414 9.401 11.667 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.463 9.209 11.634 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.614 10.702 11.982 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.382 7.143 11.968 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.588 7.292 10.383 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.362 7.366 10.499 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.172 9.501 14.082 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.408 9.592 13.867 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.270 8.076 13.513 1.00 0.00 H new ATOM 1311 N ILE A 87 106.676 8.520 7.897 1.00 0.00 N ATOM 1312 CA ILE A 87 105.656 7.944 6.967 1.00 0.00 C ATOM 1313 C ILE A 87 105.720 6.414 7.037 1.00 0.00 C ATOM 1314 O ILE A 87 106.736 5.823 6.736 1.00 0.00 O ATOM 1315 CB ILE A 87 105.971 8.385 5.533 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.998 9.916 5.452 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.906 7.840 4.580 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.679 10.490 5.973 1.00 0.00 C ATOM 0 H ILE A 87 107.642 8.273 7.683 1.00 0.00 H new ATOM 0 HA ILE A 87 104.663 8.292 7.253 1.00 0.00 H new ATOM 0 HB ILE A 87 106.947 7.994 5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.830 10.305 6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.160 10.231 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.133 8.156 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.897 6.751 4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.928 8.224 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.706 11.578 5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.854 10.113 5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.535 10.188 7.011 1.00 0.00 H new ATOM 1330 N MET A 88 104.648 5.768 7.432 1.00 0.00 N ATOM 1331 CA MET A 88 104.665 4.272 7.516 1.00 0.00 C ATOM 1332 C MET A 88 103.570 3.691 6.616 1.00 0.00 C ATOM 1333 O MET A 88 102.404 3.706 6.956 1.00 0.00 O ATOM 1334 CB MET A 88 104.420 3.837 8.962 1.00 0.00 C ATOM 1335 CG MET A 88 105.555 4.353 9.850 1.00 0.00 C ATOM 1336 SD MET A 88 105.226 3.915 11.576 1.00 0.00 S ATOM 1337 CE MET A 88 105.909 2.240 11.527 1.00 0.00 C ATOM 0 H MET A 88 103.767 6.208 7.698 1.00 0.00 H new ATOM 0 HA MET A 88 105.637 3.905 7.185 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.464 4.226 9.313 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.363 2.750 9.021 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.504 3.923 9.530 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.645 5.435 9.750 1.00 0.00 H new ATOM 0 HE1 MET A 88 105.856 1.796 12.521 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.334 1.633 10.828 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.949 2.280 11.203 1.00 0.00 H new ATOM 1347 N ASP A 89 103.942 3.166 5.475 1.00 0.00 N ATOM 1348 CA ASP A 89 102.928 2.565 4.554 1.00 0.00 C ATOM 1349 C ASP A 89 103.166 1.056 4.464 1.00 0.00 C ATOM 1350 O ASP A 89 104.058 0.600 3.777 1.00 0.00 O ATOM 1351 CB ASP A 89 103.071 3.188 3.166 1.00 0.00 C ATOM 1352 CG ASP A 89 102.561 4.630 3.194 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.884 4.980 4.147 1.00 0.00 O ATOM 1354 OD2 ASP A 89 102.855 5.360 2.262 1.00 0.00 O ATOM 0 H ASP A 89 104.905 3.128 5.141 1.00 0.00 H new ATOM 0 HA ASP A 89 101.925 2.756 4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 89 104.115 3.167 2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 89 102.508 2.607 2.436 1.00 0.00 H new ATOM 1359 N HIS A 90 102.385 0.274 5.159 1.00 0.00 N ATOM 1360 CA HIS A 90 102.570 -1.205 5.118 1.00 0.00 C ATOM 1361 C HIS A 90 102.013 -1.779 3.810 1.00 0.00 C ATOM 1362 O HIS A 90 102.517 -2.756 3.291 1.00 0.00 O ATOM 1363 CB HIS A 90 101.851 -1.843 6.306 1.00 0.00 C ATOM 1364 CG HIS A 90 102.562 -1.472 7.578 1.00 0.00 C ATOM 1365 ND1 HIS A 90 103.718 -2.118 7.994 1.00 0.00 N ATOM 1366 CD2 HIS A 90 102.295 -0.526 8.538 1.00 0.00 C ATOM 1367 CE1 HIS A 90 104.100 -1.558 9.157 1.00 0.00 C ATOM 1368 NE2 HIS A 90 103.267 -0.585 9.529 1.00 0.00 N ATOM 0 H HIS A 90 101.624 0.597 5.756 1.00 0.00 H new ATOM 0 HA HIS A 90 103.636 -1.428 5.172 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.816 -1.504 6.343 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.828 -2.927 6.192 1.00 0.00 H new ATOM 0 HD2 HIS A 90 101.459 0.158 8.524 1.00 0.00 H new ATOM 0 HE1 HIS A 90 104.972 -1.859 9.719 1.00 0.00 H new ATOM 0 HE2 HIS A 90 103.330 -0.005 10.366 1.00 0.00 H new ATOM 1377 N TYR A 91 100.973 -1.197 3.279 1.00 0.00 N ATOM 1378 CA TYR A 91 100.393 -1.736 2.013 1.00 0.00 C ATOM 1379 C TYR A 91 101.453 -1.708 0.911 1.00 0.00 C ATOM 1380 O TYR A 91 101.653 -2.678 0.208 1.00 0.00 O ATOM 1381 CB TYR A 91 99.193 -0.886 1.590 1.00 0.00 C ATOM 1382 CG TYR A 91 98.687 -1.369 0.253 1.00 0.00 C ATOM 1383 CD1 TYR A 91 97.928 -2.543 0.173 1.00 0.00 C ATOM 1384 CD2 TYR A 91 98.981 -0.646 -0.909 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.463 -2.993 -1.068 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.516 -1.096 -2.150 1.00 0.00 C ATOM 1387 CZ TYR A 91 97.758 -2.270 -2.230 1.00 0.00 C ATOM 1388 OH TYR A 91 97.300 -2.713 -3.455 1.00 0.00 O ATOM 0 H TYR A 91 100.502 -0.378 3.662 1.00 0.00 H new ATOM 0 HA TYR A 91 100.066 -2.763 2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.403 -0.955 2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.481 0.163 1.526 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.701 -3.101 1.069 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.567 0.259 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.877 -3.898 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 91 98.742 -0.537 -3.046 1.00 0.00 H new ATOM 0 HH TYR A 91 97.593 -2.095 -4.157 1.00 0.00 H new ATOM 1398 N ASN A 92 102.144 -0.612 0.762 1.00 0.00 N ATOM 1399 CA ASN A 92 103.198 -0.539 -0.290 1.00 0.00 C ATOM 1400 C ASN A 92 104.527 -1.014 0.301 1.00 0.00 C ATOM 1401 O ASN A 92 105.550 -1.010 -0.354 1.00 0.00 O ATOM 1402 CB ASN A 92 103.339 0.906 -0.777 1.00 0.00 C ATOM 1403 CG ASN A 92 102.128 1.276 -1.635 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.444 0.411 -2.146 1.00 0.00 O ATOM 1405 ND2 ASN A 92 101.830 2.534 -1.816 1.00 0.00 N ATOM 0 H ASN A 92 102.026 0.233 1.320 1.00 0.00 H new ATOM 0 HA ASN A 92 102.922 -1.174 -1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.415 1.582 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.256 1.018 -1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.024 2.790 -2.386 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.403 3.261 -1.388 1.00 0.00 H new ATOM 1412 N ASN A 93 104.508 -1.439 1.536 1.00 0.00 N ATOM 1413 CA ASN A 93 105.760 -1.935 2.178 1.00 0.00 C ATOM 1414 C ASN A 93 106.882 -0.910 1.993 1.00 0.00 C ATOM 1415 O ASN A 93 107.988 -1.257 1.627 1.00 0.00 O ATOM 1416 CB ASN A 93 106.170 -3.264 1.539 1.00 0.00 C ATOM 1417 CG ASN A 93 105.176 -4.353 1.948 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.468 -4.210 2.925 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.092 -5.445 1.237 1.00 0.00 N ATOM 0 H ASN A 93 103.678 -1.464 2.129 1.00 0.00 H new ATOM 0 HA ASN A 93 105.582 -2.082 3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.193 -3.166 0.454 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.176 -3.537 1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.433 -6.177 1.502 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.686 -5.566 0.417 1.00 0.00 H new ATOM 1426 N THR A 94 106.616 0.350 2.239 1.00 0.00 N ATOM 1427 CA THR A 94 107.673 1.390 2.076 1.00 0.00 C ATOM 1428 C THR A 94 107.707 2.282 3.322 1.00 0.00 C ATOM 1429 O THR A 94 106.681 2.696 3.835 1.00 0.00 O ATOM 1430 CB THR A 94 107.369 2.244 0.841 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.294 3.320 0.774 1.00 0.00 O ATOM 1432 CG2 THR A 94 105.948 2.796 0.937 1.00 0.00 C ATOM 0 H THR A 94 105.709 0.701 2.546 1.00 0.00 H new ATOM 0 HA THR A 94 108.641 0.906 1.949 1.00 0.00 H new ATOM 0 HB THR A 94 107.457 1.631 -0.056 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.025 4.023 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 94 105.733 3.403 0.058 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.239 1.969 0.989 1.00 0.00 H new ATOM 0 HG23 THR A 94 105.856 3.410 1.833 1.00 0.00 H new ATOM 1440 N PHE A 95 108.884 2.570 3.820 1.00 0.00 N ATOM 1441 CA PHE A 95 108.987 3.426 5.043 1.00 0.00 C ATOM 1442 C PHE A 95 109.961 4.583 4.792 1.00 0.00 C ATOM 1443 O PHE A 95 110.994 4.414 4.175 1.00 0.00 O ATOM 1444 CB PHE A 95 109.504 2.574 6.205 1.00 0.00 C ATOM 1445 CG PHE A 95 108.523 1.461 6.488 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.651 0.231 5.831 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.487 1.657 7.407 1.00 0.00 C ATOM 1448 CE1 PHE A 95 107.743 -0.801 6.093 1.00 0.00 C ATOM 1449 CE2 PHE A 95 106.578 0.625 7.670 1.00 0.00 C ATOM 1450 CZ PHE A 95 106.706 -0.604 7.013 1.00 0.00 C ATOM 0 H PHE A 95 109.774 2.252 3.435 1.00 0.00 H new ATOM 0 HA PHE A 95 108.005 3.832 5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.481 2.158 5.959 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.635 3.192 7.093 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.451 0.079 5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.388 2.605 7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 95 107.842 -1.749 5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 95 105.778 0.777 8.380 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.005 -1.400 7.216 1.00 0.00 H new ATOM 1460 N TYR A 96 109.643 5.760 5.273 1.00 0.00 N ATOM 1461 CA TYR A 96 110.551 6.929 5.070 1.00 0.00 C ATOM 1462 C TYR A 96 110.679 7.706 6.385 1.00 0.00 C ATOM 1463 O TYR A 96 109.746 7.784 7.161 1.00 0.00 O ATOM 1464 CB TYR A 96 109.964 7.873 4.016 1.00 0.00 C ATOM 1465 CG TYR A 96 109.704 7.131 2.727 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.699 7.053 1.745 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.458 6.534 2.509 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.446 6.376 0.546 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.205 5.859 1.309 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.199 5.779 0.328 1.00 0.00 C ATOM 1471 OH TYR A 96 108.949 5.114 -0.855 1.00 0.00 O ATOM 0 H TYR A 96 108.792 5.961 5.798 1.00 0.00 H new ATOM 0 HA TYR A 96 111.524 6.564 4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 96 109.035 8.308 4.386 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.653 8.698 3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.661 7.515 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.691 6.594 3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.214 6.314 -0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.242 5.400 1.141 1.00 0.00 H new ATOM 0 HH TYR A 96 108.726 4.179 -0.664 1.00 0.00 H new ATOM 1481 N SER A 97 111.819 8.296 6.637 1.00 0.00 N ATOM 1482 CA SER A 97 111.996 9.082 7.892 1.00 0.00 C ATOM 1483 C SER A 97 112.925 10.269 7.614 1.00 0.00 C ATOM 1484 O SER A 97 113.865 10.168 6.840 1.00 0.00 O ATOM 1485 CB SER A 97 112.609 8.196 8.978 1.00 0.00 C ATOM 1486 OG SER A 97 112.795 8.968 10.156 1.00 0.00 O ATOM 0 H SER A 97 112.635 8.267 6.026 1.00 0.00 H new ATOM 0 HA SER A 97 111.026 9.444 8.234 1.00 0.00 H new ATOM 0 HB2 SER A 97 111.957 7.347 9.184 1.00 0.00 H new ATOM 0 HB3 SER A 97 113.562 7.791 8.639 1.00 0.00 H new ATOM 0 HG SER A 97 111.923 9.180 10.549 1.00 0.00 H new ATOM 1492 N ARG A 98 112.668 11.398 8.227 1.00 0.00 N ATOM 1493 CA ARG A 98 113.536 12.589 7.985 1.00 0.00 C ATOM 1494 C ARG A 98 114.543 12.725 9.132 1.00 0.00 C ATOM 1495 O ARG A 98 114.194 12.637 10.294 1.00 0.00 O ATOM 1496 CB ARG A 98 112.667 13.849 7.912 1.00 0.00 C ATOM 1497 CG ARG A 98 111.432 13.585 7.042 1.00 0.00 C ATOM 1498 CD ARG A 98 111.866 12.997 5.699 1.00 0.00 C ATOM 1499 NE ARG A 98 110.696 12.996 4.767 1.00 0.00 N ATOM 1500 CZ ARG A 98 110.832 12.601 3.528 1.00 0.00 C ATOM 1501 NH1 ARG A 98 112.014 12.326 3.046 1.00 0.00 N ATOM 1502 NH2 ARG A 98 109.780 12.511 2.758 1.00 0.00 N ATOM 0 H ARG A 98 111.899 11.545 8.881 1.00 0.00 H new ATOM 0 HA ARG A 98 114.072 12.465 7.044 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.359 14.147 8.914 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.244 14.675 7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 98 110.757 12.897 7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 98 110.882 14.512 6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 98 112.683 13.583 5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 98 112.240 11.982 5.835 1.00 0.00 H new ATOM 0 HE ARG A 98 109.784 13.306 5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 98 112.840 12.419 3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 98 112.111 12.018 2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 98 108.858 12.748 3.124 1.00 0.00 H new ATOM 0 HH22 ARG A 98 109.881 12.203 1.791 1.00 0.00 H new ATOM 1516 N LEU A 99 115.789 12.938 8.809 1.00 0.00 N ATOM 1517 CA LEU A 99 116.829 13.077 9.867 1.00 0.00 C ATOM 1518 C LEU A 99 116.994 14.558 10.242 1.00 0.00 C ATOM 1519 O LEU A 99 117.018 15.412 9.377 1.00 0.00 O ATOM 1520 CB LEU A 99 118.171 12.566 9.336 1.00 0.00 C ATOM 1521 CG LEU A 99 118.097 11.063 9.068 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.438 10.584 8.511 1.00 0.00 C ATOM 1523 CD2 LEU A 99 117.794 10.319 10.373 1.00 0.00 C ATOM 0 H LEU A 99 116.133 13.022 7.852 1.00 0.00 H new ATOM 0 HA LEU A 99 116.522 12.501 10.740 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.432 13.094 8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 99 118.959 12.775 10.059 1.00 0.00 H new ATOM 0 HG LEU A 99 117.305 10.862 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.390 9.512 8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.655 11.110 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.226 10.787 9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.742 9.248 10.178 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.584 10.518 11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 99 116.840 10.661 10.774 1.00 0.00 H new ATOM 1535 N PRO A 100 117.143 14.871 11.509 1.00 0.00 N ATOM 1536 CA PRO A 100 117.346 16.276 11.952 1.00 0.00 C ATOM 1537 C PRO A 100 118.387 16.984 11.081 1.00 0.00 C ATOM 1538 O PRO A 100 118.981 16.386 10.208 1.00 0.00 O ATOM 1539 CB PRO A 100 117.855 16.136 13.386 1.00 0.00 C ATOM 1540 CG PRO A 100 117.304 14.838 13.875 1.00 0.00 C ATOM 1541 CD PRO A 100 117.130 13.938 12.652 1.00 0.00 C ATOM 0 HA PRO A 100 116.436 16.872 11.878 1.00 0.00 H new ATOM 0 HB2 PRO A 100 118.945 16.138 13.418 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.516 16.966 14.006 1.00 0.00 H new ATOM 0 HG2 PRO A 100 117.979 14.380 14.598 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.351 14.990 14.381 1.00 0.00 H new ATOM 0 HD2 PRO A 100 117.935 13.207 12.578 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.195 13.379 12.699 1.00 0.00 H new ATOM 1549 N SER A 101 118.609 18.246 11.304 1.00 0.00 N ATOM 1550 CA SER A 101 119.613 18.974 10.479 1.00 0.00 C ATOM 1551 C SER A 101 121.009 18.796 11.085 1.00 0.00 C ATOM 1552 O SER A 101 122.007 19.130 10.478 1.00 0.00 O ATOM 1553 CB SER A 101 119.261 20.461 10.444 1.00 0.00 C ATOM 1554 OG SER A 101 117.872 20.607 10.174 1.00 0.00 O ATOM 0 H SER A 101 118.142 18.805 12.018 1.00 0.00 H new ATOM 0 HA SER A 101 119.606 18.572 9.466 1.00 0.00 H new ATOM 0 HB2 SER A 101 119.509 20.928 11.397 1.00 0.00 H new ATOM 0 HB3 SER A 101 119.848 20.968 9.678 1.00 0.00 H new ATOM 0 HG SER A 101 117.641 21.559 10.152 1.00 0.00 H new ATOM 1560 N LEU A 102 121.088 18.286 12.285 1.00 0.00 N ATOM 1561 CA LEU A 102 122.422 18.106 12.935 1.00 0.00 C ATOM 1562 C LEU A 102 122.486 16.761 13.668 1.00 0.00 C ATOM 1563 O LEU A 102 121.617 16.427 14.450 1.00 0.00 O ATOM 1564 CB LEU A 102 122.640 19.243 13.934 1.00 0.00 C ATOM 1565 CG LEU A 102 123.987 19.068 14.642 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.112 19.021 13.606 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.214 20.250 15.589 1.00 0.00 C ATOM 0 H LEU A 102 120.289 17.986 12.844 1.00 0.00 H new ATOM 0 HA LEU A 102 123.199 18.121 12.171 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.614 20.202 13.417 1.00 0.00 H new ATOM 0 HB3 LEU A 102 121.833 19.254 14.667 1.00 0.00 H new ATOM 0 HG LEU A 102 123.983 18.137 15.209 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.069 18.896 14.113 1.00 0.00 H new ATOM 0 HD12 LEU A 102 124.948 18.183 12.929 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.121 19.950 13.037 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.171 20.131 16.096 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.219 21.178 15.018 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.414 20.283 16.328 1.00 0.00 H new ATOM 1579 N ILE A 103 123.523 15.998 13.438 1.00 0.00 N ATOM 1580 CA ILE A 103 123.672 14.688 14.135 1.00 0.00 C ATOM 1581 C ILE A 103 125.148 14.483 14.481 1.00 0.00 C ATOM 1582 O ILE A 103 126.000 14.520 13.617 1.00 0.00 O ATOM 1583 CB ILE A 103 123.195 13.549 13.230 1.00 0.00 C ATOM 1584 CG1 ILE A 103 121.690 13.685 12.984 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.479 12.204 13.905 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.255 12.673 11.925 1.00 0.00 C ATOM 0 H ILE A 103 124.278 16.229 12.792 1.00 0.00 H new ATOM 0 HA ILE A 103 123.069 14.688 15.043 1.00 0.00 H new ATOM 0 HB ILE A 103 123.725 13.599 12.279 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.142 13.516 13.911 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.454 14.697 12.654 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.139 11.394 13.260 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.550 12.104 14.080 1.00 0.00 H new ATOM 0 HG23 ILE A 103 122.950 12.156 14.857 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.184 12.769 11.749 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.794 12.863 10.997 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.477 11.664 12.273 1.00 0.00 H new ATOM 1598 N SER A 104 125.461 14.272 15.733 1.00 0.00 N ATOM 1599 CA SER A 104 126.890 14.072 16.126 1.00 0.00 C ATOM 1600 C SER A 104 127.062 12.695 16.770 1.00 0.00 C ATOM 1601 O SER A 104 127.623 12.568 17.839 1.00 0.00 O ATOM 1602 CB SER A 104 127.294 15.155 17.126 1.00 0.00 C ATOM 1603 OG SER A 104 128.527 14.797 17.732 1.00 0.00 O ATOM 0 H SER A 104 124.791 14.229 16.500 1.00 0.00 H new ATOM 0 HA SER A 104 127.521 14.135 15.240 1.00 0.00 H new ATOM 0 HB2 SER A 104 127.390 16.116 16.620 1.00 0.00 H new ATOM 0 HB3 SER A 104 126.522 15.270 17.886 1.00 0.00 H new ATOM 0 HG SER A 104 128.389 14.029 18.325 1.00 0.00 H new ATOM 1609 N ASP A 105 126.584 11.662 16.130 1.00 0.00 N ATOM 1610 CA ASP A 105 126.724 10.296 16.708 1.00 0.00 C ATOM 1611 C ASP A 105 126.950 9.276 15.590 1.00 0.00 C ATOM 1612 O ASP A 105 126.534 9.468 14.466 1.00 0.00 O ATOM 1613 CB ASP A 105 125.453 9.941 17.481 1.00 0.00 C ATOM 1614 CG ASP A 105 125.450 10.662 18.829 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.504 11.116 19.239 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.390 10.749 19.426 1.00 0.00 O ATOM 0 H ASP A 105 126.103 11.706 15.232 1.00 0.00 H new ATOM 0 HA ASP A 105 127.580 10.276 17.383 1.00 0.00 H new ATOM 0 HB2 ASP A 105 124.573 10.226 16.904 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.398 8.863 17.634 1.00 0.00 H new ATOM 1621 N ASN A 106 127.604 8.188 15.896 1.00 0.00 N ATOM 1622 CA ASN A 106 127.865 7.138 14.867 1.00 0.00 C ATOM 1623 C ASN A 106 126.879 5.982 15.063 1.00 0.00 C ATOM 1624 O ASN A 106 127.206 4.833 14.860 1.00 0.00 O ATOM 1625 CB ASN A 106 129.292 6.610 15.019 1.00 0.00 C ATOM 1626 CG ASN A 106 130.293 7.679 14.574 1.00 0.00 C ATOM 1627 OD1 ASN A 106 129.940 8.605 13.869 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.536 7.588 14.959 1.00 0.00 N ATOM 0 H ASN A 106 127.973 7.979 16.824 1.00 0.00 H new ATOM 0 HA ASN A 106 127.741 7.568 13.873 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.478 6.334 16.057 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.421 5.708 14.421 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.213 8.294 14.669 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.831 6.811 15.550 1.00 0.00 H new ATOM 1635 N TRP A 107 125.688 6.275 15.491 1.00 0.00 N ATOM 1636 CA TRP A 107 124.691 5.194 15.741 1.00 0.00 C ATOM 1637 C TRP A 107 124.333 4.488 14.432 1.00 0.00 C ATOM 1638 O TRP A 107 124.495 5.022 13.351 1.00 0.00 O ATOM 1639 CB TRP A 107 123.423 5.790 16.363 1.00 0.00 C ATOM 1640 CG TRP A 107 122.857 6.850 15.470 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.407 8.066 15.258 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.634 6.818 14.682 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.614 8.776 14.385 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.505 8.053 14.001 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.635 5.849 14.490 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.425 8.316 13.163 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.546 6.114 13.647 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.441 7.342 12.987 1.00 0.00 C ATOM 0 H TRP A 107 125.356 7.221 15.681 1.00 0.00 H new ATOM 0 HA TRP A 107 125.128 4.469 16.428 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.684 5.005 16.521 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.653 6.213 17.341 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.324 8.424 15.703 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.822 9.721 14.062 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.706 4.896 14.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.349 9.265 12.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.782 5.363 13.507 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.598 7.537 12.341 1.00 0.00 H new ATOM 1659 N LYS A 108 123.862 3.275 14.535 1.00 0.00 N ATOM 1660 CA LYS A 108 123.500 2.489 13.323 1.00 0.00 C ATOM 1661 C LYS A 108 122.187 1.751 13.578 1.00 0.00 C ATOM 1662 O LYS A 108 121.879 1.387 14.697 1.00 0.00 O ATOM 1663 CB LYS A 108 124.611 1.472 13.032 1.00 0.00 C ATOM 1664 CG LYS A 108 124.202 0.578 11.858 1.00 0.00 C ATOM 1665 CD LYS A 108 125.335 -0.402 11.540 1.00 0.00 C ATOM 1666 CE LYS A 108 124.919 -1.308 10.381 1.00 0.00 C ATOM 1667 NZ LYS A 108 126.036 -2.234 10.045 1.00 0.00 N ATOM 0 H LYS A 108 123.711 2.790 15.419 1.00 0.00 H new ATOM 0 HA LYS A 108 123.384 3.156 12.469 1.00 0.00 H new ATOM 0 HB2 LYS A 108 125.540 1.992 12.799 1.00 0.00 H new ATOM 0 HB3 LYS A 108 124.800 0.863 13.916 1.00 0.00 H new ATOM 0 HG2 LYS A 108 123.292 0.030 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.979 1.189 10.983 1.00 0.00 H new ATOM 0 HD2 LYS A 108 126.241 0.146 11.280 1.00 0.00 H new ATOM 0 HD3 LYS A 108 125.567 -1.003 12.419 1.00 0.00 H new ATOM 0 HE2 LYS A 108 124.030 -1.878 10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 108 124.658 -0.706 9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 125.751 -2.850 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 126.873 -1.682 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 126.265 -2.818 10.875 1.00 0.00 H new ATOM 1681 N PHE A 109 121.412 1.513 12.552 1.00 0.00 N ATOM 1682 CA PHE A 109 120.126 0.784 12.753 1.00 0.00 C ATOM 1683 C PHE A 109 119.755 0.070 11.450 1.00 0.00 C ATOM 1684 O PHE A 109 120.311 0.353 10.406 1.00 0.00 O ATOM 1685 CB PHE A 109 119.025 1.774 13.147 1.00 0.00 C ATOM 1686 CG PHE A 109 118.585 2.570 11.943 1.00 0.00 C ATOM 1687 CD1 PHE A 109 119.255 3.748 11.593 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.496 2.132 11.181 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.836 4.487 10.481 1.00 0.00 C ATOM 1690 CE2 PHE A 109 117.076 2.871 10.069 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.745 4.049 9.719 1.00 0.00 C ATOM 0 H PHE A 109 121.612 1.790 11.591 1.00 0.00 H new ATOM 0 HA PHE A 109 120.234 0.051 13.552 1.00 0.00 H new ATOM 0 HB2 PHE A 109 118.175 1.236 13.567 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.391 2.447 13.923 1.00 0.00 H new ATOM 0 HD1 PHE A 109 120.095 4.087 12.181 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.979 1.223 11.451 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.354 5.395 10.210 1.00 0.00 H new ATOM 0 HE2 PHE A 109 116.236 2.532 9.481 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.421 4.620 8.862 1.00 0.00 H new ATOM 1701 N PHE A 110 118.841 -0.864 11.490 1.00 0.00 N ATOM 1702 CA PHE A 110 118.483 -1.584 10.235 1.00 0.00 C ATOM 1703 C PHE A 110 117.061 -2.159 10.294 1.00 0.00 C ATOM 1704 O PHE A 110 116.486 -2.339 11.347 1.00 0.00 O ATOM 1705 CB PHE A 110 119.482 -2.722 10.019 1.00 0.00 C ATOM 1706 CG PHE A 110 119.669 -3.488 11.308 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.556 -3.011 12.282 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.960 -4.672 11.531 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.734 -3.720 13.476 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.138 -5.382 12.725 1.00 0.00 C ATOM 1711 CZ PHE A 110 120.025 -4.906 13.697 1.00 0.00 C ATOM 0 H PHE A 110 118.334 -1.156 12.325 1.00 0.00 H new ATOM 0 HA PHE A 110 118.520 -0.874 9.409 1.00 0.00 H new ATOM 0 HB2 PHE A 110 119.123 -3.390 9.237 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.438 -2.321 9.681 1.00 0.00 H new ATOM 0 HD1 PHE A 110 121.103 -2.095 12.112 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.274 -5.040 10.782 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.418 -3.352 14.226 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.591 -6.297 12.896 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.162 -5.454 14.618 1.00 0.00 H new ATOM 1721 N CYS A 111 116.520 -2.477 9.147 1.00 0.00 N ATOM 1722 CA CYS A 111 115.154 -3.082 9.074 1.00 0.00 C ATOM 1723 C CYS A 111 115.259 -4.379 8.272 1.00 0.00 C ATOM 1724 O CYS A 111 116.188 -4.559 7.513 1.00 0.00 O ATOM 1725 CB CYS A 111 114.184 -2.126 8.371 1.00 0.00 C ATOM 1726 SG CYS A 111 113.875 -0.688 9.425 1.00 0.00 S ATOM 0 H CYS A 111 116.973 -2.341 8.243 1.00 0.00 H new ATOM 0 HA CYS A 111 114.779 -3.275 10.079 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.601 -1.806 7.416 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.247 -2.638 8.154 1.00 0.00 H new ATOM 1731 N VAL A 112 114.344 -5.298 8.443 1.00 0.00 N ATOM 1732 CA VAL A 112 114.448 -6.592 7.695 1.00 0.00 C ATOM 1733 C VAL A 112 113.137 -6.943 6.983 1.00 0.00 C ATOM 1734 O VAL A 112 112.057 -6.771 7.509 1.00 0.00 O ATOM 1735 CB VAL A 112 114.803 -7.710 8.672 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.632 -9.062 7.979 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.255 -7.549 9.120 1.00 0.00 C ATOM 0 H VAL A 112 113.537 -5.213 9.061 1.00 0.00 H new ATOM 0 HA VAL A 112 115.225 -6.482 6.938 1.00 0.00 H new ATOM 0 HB VAL A 112 114.146 -7.659 9.540 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.885 -9.862 8.675 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.598 -9.176 7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.291 -9.113 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.511 -8.346 9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.912 -7.602 8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.380 -6.584 9.611 1.00 0.00 H new ATOM 1747 N CYS A 113 113.250 -7.477 5.792 1.00 0.00 N ATOM 1748 CA CYS A 113 112.052 -7.911 5.014 1.00 0.00 C ATOM 1749 C CYS A 113 112.229 -9.404 4.717 1.00 0.00 C ATOM 1750 O CYS A 113 113.288 -9.825 4.298 1.00 0.00 O ATOM 1751 CB CYS A 113 111.979 -7.134 3.698 1.00 0.00 C ATOM 1752 SG CYS A 113 111.370 -5.457 3.999 1.00 0.00 S ATOM 0 H CYS A 113 114.140 -7.633 5.319 1.00 0.00 H new ATOM 0 HA CYS A 113 111.136 -7.726 5.575 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.965 -7.094 3.235 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.320 -7.649 2.999 1.00 0.00 H new ATOM 1757 N SER A 114 111.236 -10.225 4.945 1.00 0.00 N ATOM 1758 CA SER A 114 111.439 -11.679 4.677 1.00 0.00 C ATOM 1759 C SER A 114 110.124 -12.460 4.780 1.00 0.00 C ATOM 1760 O SER A 114 109.077 -11.923 5.082 1.00 0.00 O ATOM 1761 CB SER A 114 112.417 -12.234 5.710 1.00 0.00 C ATOM 1762 OG SER A 114 111.814 -12.178 6.997 1.00 0.00 O ATOM 0 H SER A 114 110.316 -9.960 5.296 1.00 0.00 H new ATOM 0 HA SER A 114 111.827 -11.790 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.682 -13.262 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.341 -11.656 5.702 1.00 0.00 H new ATOM 0 HG SER A 114 111.064 -11.547 6.980 1.00 0.00 H new ATOM 1768 N LYS A 115 110.205 -13.742 4.537 1.00 0.00 N ATOM 1769 CA LYS A 115 109.015 -14.634 4.629 1.00 0.00 C ATOM 1770 C LYS A 115 109.510 -16.050 4.929 1.00 0.00 C ATOM 1771 O LYS A 115 110.679 -16.346 4.778 1.00 0.00 O ATOM 1772 CB LYS A 115 108.238 -14.650 3.309 1.00 0.00 C ATOM 1773 CG LYS A 115 107.437 -13.357 3.151 1.00 0.00 C ATOM 1774 CD LYS A 115 106.354 -13.559 2.084 1.00 0.00 C ATOM 1775 CE LYS A 115 106.980 -14.142 0.815 1.00 0.00 C ATOM 1776 NZ LYS A 115 108.173 -13.337 0.431 1.00 0.00 N ATOM 0 H LYS A 115 111.068 -14.217 4.272 1.00 0.00 H new ATOM 0 HA LYS A 115 108.352 -14.270 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 115 108.929 -14.763 2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.566 -15.508 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 115 106.980 -13.080 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.098 -12.539 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.580 -14.229 2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.871 -12.608 1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 115 107.268 -15.180 0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 115 106.251 -14.141 0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 108.897 -13.962 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 107.897 -12.621 -0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 108.559 -12.865 1.273 1.00 0.00 H new ATOM 1790 N ASP A 116 108.647 -16.931 5.344 1.00 0.00 N ATOM 1791 CA ASP A 116 109.098 -18.322 5.636 1.00 0.00 C ATOM 1792 C ASP A 116 109.715 -18.928 4.369 1.00 0.00 C ATOM 1793 O ASP A 116 109.369 -18.561 3.265 1.00 0.00 O ATOM 1794 CB ASP A 116 107.903 -19.164 6.086 1.00 0.00 C ATOM 1795 CG ASP A 116 106.846 -19.180 4.981 1.00 0.00 C ATOM 1796 OD1 ASP A 116 107.152 -18.738 3.886 1.00 0.00 O ATOM 1797 OD2 ASP A 116 105.745 -19.635 5.249 1.00 0.00 O ATOM 0 H ASP A 116 107.654 -16.752 5.494 1.00 0.00 H new ATOM 0 HA ASP A 116 109.843 -18.308 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 116 108.225 -20.181 6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 116 107.480 -18.754 7.003 1.00 0.00 H new ATOM 1802 N ASN A 117 110.619 -19.857 4.522 1.00 0.00 N ATOM 1803 CA ASN A 117 111.251 -20.490 3.323 1.00 0.00 C ATOM 1804 C ASN A 117 111.620 -19.406 2.305 1.00 0.00 C ATOM 1805 O ASN A 117 111.161 -19.429 1.181 1.00 0.00 O ATOM 1806 CB ASN A 117 110.265 -21.471 2.683 1.00 0.00 C ATOM 1807 CG ASN A 117 110.998 -22.333 1.653 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.081 -21.994 1.219 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.449 -23.443 1.241 1.00 0.00 N ATOM 0 H ASN A 117 110.948 -20.206 5.422 1.00 0.00 H new ATOM 0 HA ASN A 117 112.151 -21.024 3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 117 109.816 -22.104 3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.452 -20.925 2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 117 110.929 -24.025 0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.540 -23.728 1.605 1.00 0.00 H new ATOM 1816 N GLU A 118 112.454 -18.468 2.677 1.00 0.00 N ATOM 1817 CA GLU A 118 112.844 -17.390 1.718 1.00 0.00 C ATOM 1818 C GLU A 118 114.082 -16.645 2.232 1.00 0.00 C ATOM 1819 O GLU A 118 114.254 -16.456 3.419 1.00 0.00 O ATOM 1820 CB GLU A 118 111.694 -16.385 1.578 1.00 0.00 C ATOM 1821 CG GLU A 118 110.585 -16.959 0.689 1.00 0.00 C ATOM 1822 CD GLU A 118 109.747 -15.817 0.118 1.00 0.00 C ATOM 1823 OE1 GLU A 118 110.098 -14.675 0.358 1.00 0.00 O ATOM 1824 OE2 GLU A 118 108.769 -16.105 -0.550 1.00 0.00 O ATOM 0 H GLU A 118 112.881 -18.402 3.601 1.00 0.00 H new ATOM 0 HA GLU A 118 113.066 -17.847 0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.292 -16.144 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 118 112.066 -15.454 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 118 111.020 -17.545 -0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 118 109.954 -17.634 1.267 1.00 0.00 H new ATOM 1831 N LYS A 119 114.941 -16.212 1.342 1.00 0.00 N ATOM 1832 CA LYS A 119 116.161 -15.473 1.779 1.00 0.00 C ATOM 1833 C LYS A 119 115.729 -14.167 2.458 1.00 0.00 C ATOM 1834 O LYS A 119 114.856 -13.471 1.983 1.00 0.00 O ATOM 1835 CB LYS A 119 117.027 -15.150 0.557 1.00 0.00 C ATOM 1836 CG LYS A 119 117.420 -16.449 -0.155 1.00 0.00 C ATOM 1837 CD LYS A 119 118.378 -16.135 -1.309 1.00 0.00 C ATOM 1838 CE LYS A 119 117.608 -15.484 -2.460 1.00 0.00 C ATOM 1839 NZ LYS A 119 118.450 -15.499 -3.688 1.00 0.00 N ATOM 0 H LYS A 119 114.848 -16.339 0.334 1.00 0.00 H new ATOM 0 HA LYS A 119 116.736 -16.083 2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.481 -14.500 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.921 -14.608 0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 119 117.895 -17.132 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 119 116.530 -16.951 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 119 119.169 -15.468 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.859 -17.050 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 119 116.676 -16.020 -2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.342 -14.459 -2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 117.929 -15.057 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 119.328 -14.969 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 118.683 -16.481 -3.937 1.00 0.00 H new ATOM 1853 N LYS A 120 116.324 -13.835 3.567 1.00 0.00 N ATOM 1854 CA LYS A 120 115.938 -12.582 4.282 1.00 0.00 C ATOM 1855 C LYS A 120 116.688 -11.372 3.690 1.00 0.00 C ATOM 1856 O LYS A 120 117.833 -11.461 3.269 1.00 0.00 O ATOM 1857 CB LYS A 120 116.260 -12.718 5.781 1.00 0.00 C ATOM 1858 CG LYS A 120 117.745 -12.426 6.045 1.00 0.00 C ATOM 1859 CD LYS A 120 118.607 -13.449 5.306 1.00 0.00 C ATOM 1860 CE LYS A 120 118.290 -14.860 5.803 1.00 0.00 C ATOM 1861 NZ LYS A 120 117.935 -14.799 7.248 1.00 0.00 N ATOM 0 H LYS A 120 117.064 -14.377 4.013 1.00 0.00 H new ATOM 0 HA LYS A 120 114.867 -12.422 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 120 115.641 -12.029 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 120 116.016 -13.725 6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 120 117.993 -11.418 5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 120 117.950 -12.468 7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 120 118.424 -13.383 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 120 119.663 -13.228 5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 120 117.465 -15.284 5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 120 119.150 -15.513 5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 118.016 -15.748 7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 118.583 -14.149 7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 116.958 -14.458 7.351 1.00 0.00 H new ATOM 1875 N LEU A 121 116.051 -10.234 3.679 1.00 0.00 N ATOM 1876 CA LEU A 121 116.717 -9.007 3.147 1.00 0.00 C ATOM 1877 C LEU A 121 116.977 -8.032 4.300 1.00 0.00 C ATOM 1878 O LEU A 121 116.068 -7.658 5.014 1.00 0.00 O ATOM 1879 CB LEU A 121 115.796 -8.351 2.118 1.00 0.00 C ATOM 1880 CG LEU A 121 115.489 -9.344 0.994 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.372 -8.784 0.109 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.742 -9.564 0.143 1.00 0.00 C ATOM 0 H LEU A 121 115.098 -10.098 4.015 1.00 0.00 H new ATOM 0 HA LEU A 121 117.665 -9.270 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.870 -8.030 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.269 -7.458 1.709 1.00 0.00 H new ATOM 0 HG LEU A 121 115.174 -10.292 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.153 -9.491 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.476 -8.627 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.691 -7.835 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.520 -10.271 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.059 -8.615 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.541 -9.962 0.768 1.00 0.00 H new ATOM 1894 N VAL A 122 118.205 -7.616 4.498 1.00 0.00 N ATOM 1895 CA VAL A 122 118.502 -6.675 5.622 1.00 0.00 C ATOM 1896 C VAL A 122 118.817 -5.275 5.084 1.00 0.00 C ATOM 1897 O VAL A 122 119.641 -5.097 4.211 1.00 0.00 O ATOM 1898 CB VAL A 122 119.714 -7.191 6.407 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.194 -6.105 7.374 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.325 -8.450 7.198 1.00 0.00 C ATOM 0 H VAL A 122 119.010 -7.886 3.933 1.00 0.00 H new ATOM 0 HA VAL A 122 117.627 -6.618 6.270 1.00 0.00 H new ATOM 0 HB VAL A 122 120.515 -7.440 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 122 121.056 -6.470 7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.477 -5.216 6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.391 -5.855 8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.190 -8.812 7.754 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.522 -8.209 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.987 -9.223 6.508 1.00 0.00 H new ATOM 1910 N PHE A 123 118.172 -4.280 5.629 1.00 0.00 N ATOM 1911 CA PHE A 123 118.427 -2.873 5.199 1.00 0.00 C ATOM 1912 C PHE A 123 119.155 -2.163 6.342 1.00 0.00 C ATOM 1913 O PHE A 123 118.658 -2.110 7.445 1.00 0.00 O ATOM 1914 CB PHE A 123 117.086 -2.186 4.922 1.00 0.00 C ATOM 1915 CG PHE A 123 117.271 -0.689 4.864 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.983 -0.115 3.809 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.718 0.124 5.860 1.00 0.00 C ATOM 1918 CE1 PHE A 123 118.146 1.272 3.748 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.880 1.512 5.801 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.595 2.087 4.744 1.00 0.00 C ATOM 0 H PHE A 123 117.471 -4.382 6.363 1.00 0.00 H new ATOM 0 HA PHE A 123 119.032 -2.841 4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.672 -2.546 3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.370 -2.442 5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.408 -0.743 3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.166 -0.321 6.675 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.697 1.715 2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.454 2.139 6.570 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.722 3.159 4.697 1.00 0.00 H new ATOM 1930 N THR A 124 120.335 -1.637 6.109 1.00 0.00 N ATOM 1931 CA THR A 124 121.072 -0.969 7.229 1.00 0.00 C ATOM 1932 C THR A 124 121.725 0.348 6.789 1.00 0.00 C ATOM 1933 O THR A 124 122.276 0.471 5.709 1.00 0.00 O ATOM 1934 CB THR A 124 122.150 -1.923 7.748 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.579 -1.482 9.025 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.335 -1.939 6.782 1.00 0.00 C ATOM 0 H THR A 124 120.813 -1.640 5.208 1.00 0.00 H new ATOM 0 HA THR A 124 120.353 -0.731 8.013 1.00 0.00 H new ATOM 0 HB THR A 124 121.743 -2.931 7.824 1.00 0.00 H new ATOM 0 HG1 THR A 124 121.950 -0.814 9.369 1.00 0.00 H new ATOM 0 HG21 THR A 124 124.100 -2.620 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 124 123.000 -2.274 5.800 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.751 -0.935 6.700 1.00 0.00 H new ATOM 1944 N VAL A 125 121.702 1.322 7.662 1.00 0.00 N ATOM 1945 CA VAL A 125 122.344 2.633 7.366 1.00 0.00 C ATOM 1946 C VAL A 125 123.108 3.080 8.618 1.00 0.00 C ATOM 1947 O VAL A 125 122.802 2.655 9.721 1.00 0.00 O ATOM 1948 CB VAL A 125 121.276 3.670 7.000 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.267 3.045 6.034 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.550 4.128 8.266 1.00 0.00 C ATOM 0 H VAL A 125 121.259 1.261 8.579 1.00 0.00 H new ATOM 0 HA VAL A 125 123.028 2.538 6.523 1.00 0.00 H new ATOM 0 HB VAL A 125 121.753 4.527 6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.508 3.782 5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.782 2.720 5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.792 2.187 6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.791 4.865 8.004 1.00 0.00 H new ATOM 0 HG22 VAL A 125 120.074 3.271 8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.267 4.575 8.955 1.00 0.00 H new ATOM 1960 N GLU A 126 124.097 3.925 8.468 1.00 0.00 N ATOM 1961 CA GLU A 126 124.874 4.382 9.662 1.00 0.00 C ATOM 1962 C GLU A 126 125.066 5.899 9.624 1.00 0.00 C ATOM 1963 O GLU A 126 125.007 6.519 8.580 1.00 0.00 O ATOM 1964 CB GLU A 126 126.244 3.699 9.660 1.00 0.00 C ATOM 1965 CG GLU A 126 127.019 4.112 8.407 1.00 0.00 C ATOM 1966 CD GLU A 126 128.366 3.388 8.375 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.396 2.219 8.722 1.00 0.00 O ATOM 1968 OE2 GLU A 126 129.345 4.015 8.004 1.00 0.00 O ATOM 0 H GLU A 126 124.399 4.317 7.576 1.00 0.00 H new ATOM 0 HA GLU A 126 124.325 4.119 10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.802 3.977 10.554 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.122 2.616 9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 126 126.443 3.869 7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 126 127.174 5.191 8.402 1.00 0.00 H new ATOM 1975 N ALA A 127 125.299 6.498 10.761 1.00 0.00 N ATOM 1976 CA ALA A 127 125.499 7.975 10.803 1.00 0.00 C ATOM 1977 C ALA A 127 126.043 8.373 12.176 1.00 0.00 C ATOM 1978 O ALA A 127 126.945 9.195 12.217 1.00 0.00 O ATOM 1979 CB ALA A 127 124.166 8.683 10.559 1.00 0.00 C ATOM 1980 OXT ALA A 127 125.548 7.851 13.163 1.00 0.00 O ATOM 0 H ALA A 127 125.359 6.027 11.664 1.00 0.00 H new ATOM 0 HA ALA A 127 126.208 8.267 10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 127 124.316 9.762 10.590 1.00 0.00 H new ATOM 0 HB2 ALA A 127 123.777 8.399 9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 127 123.453 8.393 11.331 1.00 0.00 H new