USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 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 -78:sc= -1.59! USER MOD Set 1.2: A 96 TYR OH : rot 123:sc= 1.01 USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= -0.0562 K(o=-0.056,f=-1.3!) 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= -0.193 USER MOD Single : A 10 THR OG1 : rot -32:sc= 0.207 USER MOD Single : A 11 SER OG : rot 180:sc= -2.38! USER MOD Single : A 13 SER OG : rot -74:sc= -2.57! USER MOD Single : A 14 THR OG1 : rot -27:sc= 0.836 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.389 K(o=0.39,f=-4.9!) USER MOD Single : A 45 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.13) 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= 0.395 K(o=0.4,f=-6.4!) USER MOD Single : A 69 ASN :FLIP amide:sc= -2.59! C(o=-7!,f=-2.6!) USER MOD Single : A 71 SER OG : rot -28:sc= 0.263 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 79 ASN : amide:sc= -3.16! C(o=-3.2!,f=-14!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -1.59! C(o=-4.9!,f=-1.6!) USER MOD Single : A 88 MET CE :methyl 153:sc= -0.0257 (180deg=-0.413) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.3!) USER MOD Single : A 93 ASN : amide:sc= -2.07! C(o=-2.1!,f=-5.4!) USER MOD Single : A 97 SER OG : rot 180:sc= -1.16 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0255 K(o=-0.026,f=-1.9!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 153:sc= -0.287 (180deg=-0.825) USER MOD Single : A 117 ASN : amide:sc= -1.19 K(o=-1.2,f=-5.2!) USER MOD Single : A 119 LYS NZ :NH3+ -134:sc= -0.13 (180deg=-0.911) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.168 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 116.746 12.266 -4.885 1.00 0.00 N ATOM 19 CA LYS A 2 116.403 10.842 -4.617 1.00 0.00 C ATOM 20 C LYS A 2 116.511 10.571 -3.114 1.00 0.00 C ATOM 21 O LYS A 2 117.192 11.273 -2.394 1.00 0.00 O ATOM 22 CB LYS A 2 117.362 9.926 -5.382 1.00 0.00 C ATOM 23 CG LYS A 2 117.121 10.080 -6.887 1.00 0.00 C ATOM 24 CD LYS A 2 118.058 9.149 -7.658 1.00 0.00 C ATOM 25 CE LYS A 2 117.811 9.302 -9.159 1.00 0.00 C ATOM 26 NZ LYS A 2 118.739 8.407 -9.910 1.00 0.00 N ATOM 0 HA LYS A 2 115.384 10.643 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.394 10.179 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.209 8.889 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 2 116.083 9.845 -7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 2 117.291 11.114 -7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 2 119.096 9.386 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 2 117.891 8.115 -7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 2 116.777 9.052 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 2 117.965 10.338 -9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 118.571 8.511 -10.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 119.723 8.666 -9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 118.571 7.419 -9.630 1.00 0.00 H new ATOM 40 N VAL A 3 115.827 9.569 -2.631 1.00 0.00 N ATOM 41 CA VAL A 3 115.872 9.265 -1.173 1.00 0.00 C ATOM 42 C VAL A 3 116.928 8.193 -0.895 1.00 0.00 C ATOM 43 O VAL A 3 116.987 7.181 -1.560 1.00 0.00 O ATOM 44 CB VAL A 3 114.503 8.743 -0.728 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.561 8.324 0.745 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.455 9.842 -0.906 1.00 0.00 C ATOM 0 H VAL A 3 115.238 8.947 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 3 116.126 10.172 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 3 114.232 7.880 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.584 7.953 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.305 7.537 0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 3 114.835 9.183 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.481 9.470 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.728 10.706 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.408 10.134 -1.955 1.00 0.00 H new ATOM 56 N LYS A 4 117.754 8.398 0.098 1.00 0.00 N ATOM 57 CA LYS A 4 118.782 7.369 0.417 1.00 0.00 C ATOM 58 C LYS A 4 118.083 6.148 1.014 1.00 0.00 C ATOM 59 O LYS A 4 117.347 6.250 1.984 1.00 0.00 O ATOM 60 CB LYS A 4 119.787 7.925 1.430 1.00 0.00 C ATOM 61 CG LYS A 4 120.844 8.766 0.708 1.00 0.00 C ATOM 62 CD LYS A 4 120.162 9.877 -0.091 1.00 0.00 C ATOM 63 CE LYS A 4 121.225 10.801 -0.690 1.00 0.00 C ATOM 64 NZ LYS A 4 120.559 11.879 -1.473 1.00 0.00 N ATOM 0 H LYS A 4 117.760 9.225 0.695 1.00 0.00 H new ATOM 0 HA LYS A 4 119.315 7.092 -0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.270 8.534 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.266 7.106 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 4 121.536 9.197 1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.432 8.135 0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 4 119.551 9.446 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 4 119.493 10.446 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 4 121.834 11.235 0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 4 121.897 10.232 -1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 121.280 12.508 -1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 119.996 11.455 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 119.935 12.428 -0.847 1.00 0.00 H new ATOM 78 N GLY A 5 118.298 4.995 0.446 1.00 0.00 N ATOM 79 CA GLY A 5 117.637 3.781 0.985 1.00 0.00 C ATOM 80 C GLY A 5 117.862 2.607 0.038 1.00 0.00 C ATOM 81 O GLY A 5 118.501 2.739 -0.986 1.00 0.00 O ATOM 0 H GLY A 5 118.900 4.844 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 5 118.036 3.546 1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.569 3.961 1.108 1.00 0.00 H new ATOM 85 N CYS A 6 117.339 1.456 0.371 1.00 0.00 N ATOM 86 CA CYS A 6 117.520 0.263 -0.508 1.00 0.00 C ATOM 87 C CYS A 6 116.163 -0.204 -1.028 1.00 0.00 C ATOM 88 O CYS A 6 115.203 -0.304 -0.293 1.00 0.00 O ATOM 89 CB CYS A 6 118.166 -0.860 0.299 1.00 0.00 C ATOM 90 SG CYS A 6 118.984 -2.023 -0.822 1.00 0.00 S ATOM 0 H CYS A 6 116.793 1.290 1.216 1.00 0.00 H new ATOM 0 HA CYS A 6 118.158 0.526 -1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.890 -0.446 1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.410 -1.379 0.889 1.00 0.00 H new ATOM 95 N ASP A 7 116.083 -0.494 -2.295 1.00 0.00 N ATOM 96 CA ASP A 7 114.799 -0.968 -2.889 1.00 0.00 C ATOM 97 C ASP A 7 114.973 -2.402 -3.393 1.00 0.00 C ATOM 98 O ASP A 7 115.671 -2.651 -4.356 1.00 0.00 O ATOM 99 CB ASP A 7 114.408 -0.061 -4.053 1.00 0.00 C ATOM 100 CG ASP A 7 113.060 -0.514 -4.621 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.584 -1.554 -4.202 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.523 0.190 -5.459 1.00 0.00 O ATOM 0 H ASP A 7 116.859 -0.423 -2.953 1.00 0.00 H new ATOM 0 HA ASP A 7 114.015 -0.940 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.344 0.974 -3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.173 -0.097 -4.829 1.00 0.00 H new ATOM 107 N PHE A 8 114.345 -3.349 -2.750 1.00 0.00 N ATOM 108 CA PHE A 8 114.475 -4.766 -3.196 1.00 0.00 C ATOM 109 C PHE A 8 113.419 -5.048 -4.265 1.00 0.00 C ATOM 110 O PHE A 8 113.266 -6.164 -4.725 1.00 0.00 O ATOM 111 CB PHE A 8 114.255 -5.702 -2.004 1.00 0.00 C ATOM 112 CG PHE A 8 115.345 -5.493 -0.981 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.603 -6.078 -1.167 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.095 -4.717 0.158 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.612 -5.887 -0.215 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.104 -4.528 1.111 1.00 0.00 C ATOM 117 CZ PHE A 8 117.362 -5.112 0.924 1.00 0.00 C ATOM 0 H PHE A 8 113.748 -3.203 -1.936 1.00 0.00 H new ATOM 0 HA PHE A 8 115.471 -4.933 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.281 -5.511 -1.555 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.253 -6.739 -2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.795 -6.677 -2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.125 -4.265 0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.583 -6.337 -0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 8 115.911 -3.931 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.140 -4.965 1.658 1.00 0.00 H new ATOM 127 N THR A 9 112.669 -4.049 -4.640 1.00 0.00 N ATOM 128 CA THR A 9 111.599 -4.253 -5.656 1.00 0.00 C ATOM 129 C THR A 9 112.043 -3.715 -7.020 1.00 0.00 C ATOM 130 O THR A 9 111.479 -4.062 -8.039 1.00 0.00 O ATOM 131 CB THR A 9 110.342 -3.505 -5.205 1.00 0.00 C ATOM 132 OG1 THR A 9 109.899 -4.033 -3.963 1.00 0.00 O ATOM 133 CG2 THR A 9 109.241 -3.670 -6.253 1.00 0.00 C ATOM 0 H THR A 9 112.752 -3.096 -4.285 1.00 0.00 H new ATOM 0 HA THR A 9 111.395 -5.320 -5.750 1.00 0.00 H new ATOM 0 HB THR A 9 110.573 -2.446 -5.089 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.095 -3.554 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.347 -3.136 -5.929 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.581 -3.263 -7.205 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.008 -4.728 -6.373 1.00 0.00 H new ATOM 141 N THR A 10 113.032 -2.863 -7.058 1.00 0.00 N ATOM 142 CA THR A 10 113.472 -2.314 -8.373 1.00 0.00 C ATOM 143 C THR A 10 114.918 -1.817 -8.284 1.00 0.00 C ATOM 144 O THR A 10 115.265 -1.034 -7.422 1.00 0.00 O ATOM 145 CB THR A 10 112.560 -1.146 -8.760 1.00 0.00 C ATOM 146 OG1 THR A 10 111.205 -1.521 -8.564 1.00 0.00 O ATOM 147 CG2 THR A 10 112.784 -0.781 -10.229 1.00 0.00 C ATOM 0 H THR A 10 113.549 -2.526 -6.246 1.00 0.00 H new ATOM 0 HA THR A 10 113.413 -3.101 -9.125 1.00 0.00 H new ATOM 0 HB THR A 10 112.793 -0.283 -8.137 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.103 -2.481 -8.735 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.133 0.050 -10.501 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.824 -0.491 -10.377 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.554 -1.642 -10.857 1.00 0.00 H new ATOM 155 N SER A 11 115.760 -2.264 -9.176 1.00 0.00 N ATOM 156 CA SER A 11 117.179 -1.809 -9.147 1.00 0.00 C ATOM 157 C SER A 11 117.230 -0.318 -9.475 1.00 0.00 C ATOM 158 O SER A 11 118.124 0.392 -9.059 1.00 0.00 O ATOM 159 CB SER A 11 117.990 -2.586 -10.185 1.00 0.00 C ATOM 160 OG SER A 11 118.170 -3.923 -9.735 1.00 0.00 O ATOM 0 H SER A 11 115.528 -2.922 -9.920 1.00 0.00 H new ATOM 0 HA SER A 11 117.600 -1.985 -8.157 1.00 0.00 H new ATOM 0 HB2 SER A 11 117.475 -2.580 -11.145 1.00 0.00 H new ATOM 0 HB3 SER A 11 118.958 -2.109 -10.339 1.00 0.00 H new ATOM 0 HG SER A 11 118.688 -4.425 -10.399 1.00 0.00 H new ATOM 166 N GLU A 12 116.265 0.161 -10.214 1.00 0.00 N ATOM 167 CA GLU A 12 116.233 1.607 -10.576 1.00 0.00 C ATOM 168 C GLU A 12 115.021 2.258 -9.906 1.00 0.00 C ATOM 169 O GLU A 12 114.021 2.530 -10.541 1.00 0.00 O ATOM 170 CB GLU A 12 116.110 1.746 -12.094 1.00 0.00 C ATOM 171 CG GLU A 12 117.397 1.253 -12.760 1.00 0.00 C ATOM 172 CD GLU A 12 117.366 -0.273 -12.862 1.00 0.00 C ATOM 173 OE1 GLU A 12 116.434 -0.863 -12.341 1.00 0.00 O ATOM 174 OE2 GLU A 12 118.272 -0.824 -13.464 1.00 0.00 O ATOM 0 H GLU A 12 115.492 -0.392 -10.585 1.00 0.00 H new ATOM 0 HA GLU A 12 117.148 2.095 -10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.258 1.169 -12.454 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.926 2.787 -12.360 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.497 1.693 -13.752 1.00 0.00 H new ATOM 0 HG3 GLU A 12 118.264 1.572 -12.181 1.00 0.00 H new ATOM 181 N SER A 13 115.095 2.485 -8.626 1.00 0.00 N ATOM 182 CA SER A 13 113.936 3.095 -7.916 1.00 0.00 C ATOM 183 C SER A 13 113.852 4.591 -8.212 1.00 0.00 C ATOM 184 O SER A 13 114.718 5.362 -7.846 1.00 0.00 O ATOM 185 CB SER A 13 114.105 2.893 -6.412 1.00 0.00 C ATOM 186 OG SER A 13 114.264 1.511 -6.137 1.00 0.00 O ATOM 0 H SER A 13 115.904 2.276 -8.041 1.00 0.00 H new ATOM 0 HA SER A 13 113.021 2.614 -8.261 1.00 0.00 H new ATOM 0 HB2 SER A 13 114.972 3.448 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A 13 113.236 3.283 -5.882 1.00 0.00 H new ATOM 0 HG SER A 13 113.402 1.056 -6.239 1.00 0.00 H new ATOM 192 N THR A 14 112.800 5.003 -8.856 1.00 0.00 N ATOM 193 CA THR A 14 112.626 6.449 -9.162 1.00 0.00 C ATOM 194 C THR A 14 112.459 7.204 -7.844 1.00 0.00 C ATOM 195 O THR A 14 112.240 8.399 -7.822 1.00 0.00 O ATOM 196 CB THR A 14 111.378 6.647 -10.025 1.00 0.00 C ATOM 197 OG1 THR A 14 111.204 8.031 -10.297 1.00 0.00 O ATOM 198 CG2 THR A 14 110.152 6.114 -9.282 1.00 0.00 C ATOM 0 H THR A 14 112.048 4.398 -9.186 1.00 0.00 H new ATOM 0 HA THR A 14 113.495 6.823 -9.704 1.00 0.00 H new ATOM 0 HB THR A 14 111.497 6.105 -10.963 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.608 8.559 -9.577 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.264 6.255 -9.897 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.285 5.052 -9.075 1.00 0.00 H new ATOM 0 HG23 THR A 14 110.032 6.654 -8.343 1.00 0.00 H new ATOM 206 N ILE A 15 112.560 6.503 -6.744 1.00 0.00 N ATOM 207 CA ILE A 15 112.406 7.157 -5.411 1.00 0.00 C ATOM 208 C ILE A 15 113.653 6.923 -4.557 1.00 0.00 C ATOM 209 O ILE A 15 114.065 7.788 -3.809 1.00 0.00 O ATOM 210 CB ILE A 15 111.177 6.573 -4.708 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.219 5.046 -4.797 1.00 0.00 C ATOM 212 CG2 ILE A 15 109.904 7.086 -5.384 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.113 4.452 -3.923 1.00 0.00 C ATOM 0 H ILE A 15 112.744 5.500 -6.712 1.00 0.00 H new ATOM 0 HA ILE A 15 112.278 8.231 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 15 111.179 6.880 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 15 111.090 4.728 -5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.192 4.679 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.032 6.669 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 15 109.872 8.174 -5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.900 6.782 -6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 15 110.143 3.364 -3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.263 4.759 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.143 4.809 -4.271 1.00 0.00 H new ATOM 225 N PHE A 16 114.259 5.764 -4.654 1.00 0.00 N ATOM 226 CA PHE A 16 115.479 5.488 -3.832 1.00 0.00 C ATOM 227 C PHE A 16 116.718 5.477 -4.730 1.00 0.00 C ATOM 228 O PHE A 16 116.705 4.946 -5.821 1.00 0.00 O ATOM 229 CB PHE A 16 115.341 4.131 -3.136 1.00 0.00 C ATOM 230 CG PHE A 16 114.390 4.253 -1.969 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.781 4.943 -0.815 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.116 3.677 -2.042 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.899 5.055 0.266 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.234 3.792 -0.962 1.00 0.00 C ATOM 235 CZ PHE A 16 112.626 4.479 0.192 1.00 0.00 C ATOM 0 H PHE A 16 113.964 5.001 -5.263 1.00 0.00 H new ATOM 0 HA PHE A 16 115.584 6.270 -3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 16 114.973 3.385 -3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.316 3.788 -2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.763 5.389 -0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 16 112.814 3.144 -2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 16 114.201 5.586 1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.250 3.350 -1.019 1.00 0.00 H new ATOM 0 HZ PHE A 16 111.946 4.565 1.026 1.00 0.00 H new ATOM 245 N SER A 17 117.781 6.085 -4.278 1.00 0.00 N ATOM 246 CA SER A 17 119.029 6.141 -5.096 1.00 0.00 C ATOM 247 C SER A 17 119.661 4.755 -5.227 1.00 0.00 C ATOM 248 O SER A 17 120.479 4.529 -6.097 1.00 0.00 O ATOM 249 CB SER A 17 120.028 7.084 -4.427 1.00 0.00 C ATOM 250 OG SER A 17 121.194 7.182 -5.233 1.00 0.00 O ATOM 0 H SER A 17 117.840 6.549 -3.371 1.00 0.00 H new ATOM 0 HA SER A 17 118.773 6.503 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 17 119.581 8.069 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 17 120.288 6.713 -3.435 1.00 0.00 H new ATOM 0 HG SER A 17 121.836 7.788 -4.807 1.00 0.00 H new ATOM 256 N LYS A 18 119.310 3.826 -4.376 1.00 0.00 N ATOM 257 CA LYS A 18 119.928 2.465 -4.471 1.00 0.00 C ATOM 258 C LYS A 18 118.849 1.384 -4.446 1.00 0.00 C ATOM 259 O LYS A 18 117.876 1.473 -3.728 1.00 0.00 O ATOM 260 CB LYS A 18 120.874 2.265 -3.284 1.00 0.00 C ATOM 261 CG LYS A 18 121.990 3.314 -3.322 1.00 0.00 C ATOM 262 CD LYS A 18 123.053 2.901 -4.343 1.00 0.00 C ATOM 263 CE LYS A 18 124.193 3.918 -4.333 1.00 0.00 C ATOM 264 NZ LYS A 18 125.235 3.499 -5.312 1.00 0.00 N ATOM 0 H LYS A 18 118.629 3.946 -3.626 1.00 0.00 H new ATOM 0 HA LYS A 18 120.478 2.388 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.320 2.345 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.303 1.264 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.578 4.288 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.440 3.415 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.435 1.908 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 18 122.613 2.842 -5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 18 123.815 4.908 -4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 18 124.624 3.989 -3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 126.013 4.189 -5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.602 2.562 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 124.818 3.453 -6.264 1.00 0.00 H new ATOM 278 N GLY A 19 119.028 0.352 -5.229 1.00 0.00 N ATOM 279 CA GLY A 19 118.023 -0.749 -5.258 1.00 0.00 C ATOM 280 C GLY A 19 118.650 -2.001 -5.871 1.00 0.00 C ATOM 281 O GLY A 19 119.765 -1.975 -6.351 1.00 0.00 O ATOM 0 H GLY A 19 119.828 0.225 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.674 -0.963 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.152 -0.445 -5.839 1.00 0.00 H new ATOM 285 N TYR A 20 117.942 -3.100 -5.853 1.00 0.00 N ATOM 286 CA TYR A 20 118.490 -4.365 -6.431 1.00 0.00 C ATOM 287 C TYR A 20 117.479 -4.959 -7.416 1.00 0.00 C ATOM 288 O TYR A 20 116.313 -4.625 -7.403 1.00 0.00 O ATOM 289 CB TYR A 20 118.747 -5.371 -5.308 1.00 0.00 C ATOM 290 CG TYR A 20 119.992 -4.984 -4.547 1.00 0.00 C ATOM 291 CD1 TYR A 20 119.955 -3.921 -3.637 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.181 -5.695 -4.744 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.107 -3.568 -2.927 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.335 -5.342 -4.034 1.00 0.00 C ATOM 295 CZ TYR A 20 122.297 -4.279 -3.125 1.00 0.00 C ATOM 296 OH TYR A 20 123.434 -3.932 -2.424 1.00 0.00 O ATOM 0 H TYR A 20 117.003 -3.177 -5.461 1.00 0.00 H new ATOM 0 HA TYR A 20 119.424 -4.148 -6.950 1.00 0.00 H new ATOM 0 HB2 TYR A 20 117.892 -5.402 -4.633 1.00 0.00 H new ATOM 0 HB3 TYR A 20 118.861 -6.372 -5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.037 -3.373 -3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.209 -6.517 -5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.079 -2.747 -2.226 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.253 -5.889 -4.188 1.00 0.00 H new ATOM 0 HH TYR A 20 124.170 -4.527 -2.679 1.00 0.00 H new ATOM 527 N ILE A 36 121.052 -10.662 2.208 1.00 0.00 N ATOM 528 CA ILE A 36 121.378 -9.433 1.433 1.00 0.00 C ATOM 529 C ILE A 36 121.351 -8.236 2.377 1.00 0.00 C ATOM 530 O ILE A 36 120.371 -7.995 3.047 1.00 0.00 O ATOM 531 CB ILE A 36 120.344 -9.230 0.324 1.00 0.00 C ATOM 532 CG1 ILE A 36 120.275 -10.486 -0.549 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.745 -8.031 -0.536 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.674 -10.836 -1.062 1.00 0.00 C ATOM 0 HA ILE A 36 122.366 -9.533 0.984 1.00 0.00 H new ATOM 0 HB ILE A 36 119.367 -9.045 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.869 -11.318 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.600 -10.320 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 36 120.008 -7.887 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.790 -7.137 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.723 -8.214 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.621 -11.730 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 36 122.063 -10.007 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 36 122.336 -11.021 -0.216 1.00 0.00 H new ATOM 546 N VAL A 37 122.421 -7.488 2.445 1.00 0.00 N ATOM 547 CA VAL A 37 122.451 -6.310 3.362 1.00 0.00 C ATOM 548 C VAL A 37 122.711 -5.033 2.569 1.00 0.00 C ATOM 549 O VAL A 37 123.649 -4.945 1.799 1.00 0.00 O ATOM 550 CB VAL A 37 123.564 -6.497 4.392 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.785 -5.183 5.145 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.161 -7.592 5.386 1.00 0.00 C ATOM 0 H VAL A 37 123.274 -7.641 1.907 1.00 0.00 H new ATOM 0 HA VAL A 37 121.488 -6.229 3.866 1.00 0.00 H new ATOM 0 HB VAL A 37 124.484 -6.787 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.579 -5.314 5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.070 -4.403 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.864 -4.895 5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 37 123.955 -7.726 6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.241 -7.302 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.000 -8.528 4.851 1.00 0.00 H new ATOM 562 N CYS A 38 121.902 -4.029 2.772 1.00 0.00 N ATOM 563 CA CYS A 38 122.126 -2.748 2.051 1.00 0.00 C ATOM 564 C CYS A 38 122.802 -1.765 3.007 1.00 0.00 C ATOM 565 O CYS A 38 122.157 -1.152 3.836 1.00 0.00 O ATOM 566 CB CYS A 38 120.782 -2.166 1.608 1.00 0.00 C ATOM 567 SG CYS A 38 119.998 -3.269 0.406 1.00 0.00 S ATOM 0 H CYS A 38 121.100 -4.042 3.403 1.00 0.00 H new ATOM 0 HA CYS A 38 122.752 -2.921 1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.131 -2.034 2.472 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.930 -1.180 1.167 1.00 0.00 H new ATOM 572 N THR A 39 124.093 -1.602 2.902 1.00 0.00 N ATOM 573 CA THR A 39 124.796 -0.658 3.811 1.00 0.00 C ATOM 574 C THR A 39 124.946 0.695 3.120 1.00 0.00 C ATOM 575 O THR A 39 125.564 0.809 2.079 1.00 0.00 O ATOM 576 CB THR A 39 126.181 -1.218 4.153 1.00 0.00 C ATOM 577 OG1 THR A 39 126.034 -2.416 4.903 1.00 0.00 O ATOM 578 CG2 THR A 39 126.960 -0.190 4.976 1.00 0.00 C ATOM 0 H THR A 39 124.689 -2.082 2.227 1.00 0.00 H new ATOM 0 HA THR A 39 124.219 -0.534 4.727 1.00 0.00 H new ATOM 0 HB THR A 39 126.725 -1.430 3.233 1.00 0.00 H new ATOM 0 HG1 THR A 39 126.919 -2.776 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.945 -0.589 5.219 1.00 0.00 H new ATOM 0 HG22 THR A 39 127.073 0.728 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.418 0.025 5.897 1.00 0.00 H new ATOM 586 N VAL A 40 124.403 1.724 3.706 1.00 0.00 N ATOM 587 CA VAL A 40 124.524 3.083 3.097 1.00 0.00 C ATOM 588 C VAL A 40 124.788 4.107 4.202 1.00 0.00 C ATOM 589 O VAL A 40 124.498 3.871 5.358 1.00 0.00 O ATOM 590 CB VAL A 40 123.226 3.431 2.364 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.769 2.228 1.534 1.00 0.00 C ATOM 592 CG2 VAL A 40 122.141 3.788 3.384 1.00 0.00 C ATOM 0 H VAL A 40 123.880 1.686 4.581 1.00 0.00 H new ATOM 0 HA VAL A 40 125.350 3.097 2.386 1.00 0.00 H new ATOM 0 HB VAL A 40 123.400 4.282 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 40 121.845 2.476 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.540 1.974 0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.597 1.376 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 40 121.217 4.036 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.968 2.938 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.465 4.645 3.974 1.00 0.00 H new ATOM 602 N LYS A 41 125.320 5.248 3.859 1.00 0.00 N ATOM 603 CA LYS A 41 125.584 6.285 4.896 1.00 0.00 C ATOM 604 C LYS A 41 124.443 7.305 4.904 1.00 0.00 C ATOM 605 O LYS A 41 124.130 7.911 3.899 1.00 0.00 O ATOM 606 CB LYS A 41 126.902 6.993 4.585 1.00 0.00 C ATOM 607 CG LYS A 41 127.161 8.073 5.636 1.00 0.00 C ATOM 608 CD LYS A 41 128.533 8.705 5.395 1.00 0.00 C ATOM 609 CE LYS A 41 128.436 9.725 4.260 1.00 0.00 C ATOM 610 NZ LYS A 41 129.731 10.450 4.132 1.00 0.00 N ATOM 0 H LYS A 41 125.583 5.507 2.908 1.00 0.00 H new ATOM 0 HA LYS A 41 125.650 5.810 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 41 127.721 6.274 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.862 7.440 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 41 126.384 8.836 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.119 7.640 6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 41 128.886 9.191 6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 41 129.261 7.934 5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 41 128.195 9.221 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 41 127.630 10.431 4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 129.666 11.144 3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 129.943 10.942 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 130.490 9.770 3.923 1.00 0.00 H new ATOM 624 N ALA A 42 123.817 7.495 6.033 1.00 0.00 N ATOM 625 CA ALA A 42 122.694 8.471 6.104 1.00 0.00 C ATOM 626 C ALA A 42 123.238 9.850 6.482 1.00 0.00 C ATOM 627 O ALA A 42 124.281 9.968 7.094 1.00 0.00 O ATOM 628 CB ALA A 42 121.689 8.012 7.162 1.00 0.00 C ATOM 0 H ALA A 42 124.034 7.017 6.908 1.00 0.00 H new ATOM 0 HA ALA A 42 122.201 8.530 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.866 8.725 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.301 7.030 6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 42 122.183 7.954 8.132 1.00 0.00 H new ATOM 634 N HIS A 43 122.542 10.896 6.119 1.00 0.00 N ATOM 635 CA HIS A 43 123.022 12.269 6.452 1.00 0.00 C ATOM 636 C HIS A 43 121.865 13.091 7.027 1.00 0.00 C ATOM 637 O HIS A 43 120.711 12.850 6.736 1.00 0.00 O ATOM 638 CB HIS A 43 123.551 12.947 5.186 1.00 0.00 C ATOM 639 CG HIS A 43 124.447 14.090 5.567 1.00 0.00 C ATOM 640 ND1 HIS A 43 123.956 15.363 5.822 1.00 0.00 N ATOM 641 CD2 HIS A 43 125.806 14.172 5.738 1.00 0.00 C ATOM 642 CE1 HIS A 43 125.004 16.149 6.130 1.00 0.00 C ATOM 643 NE2 HIS A 43 126.152 15.471 6.092 1.00 0.00 N ATOM 0 H HIS A 43 121.661 10.858 5.606 1.00 0.00 H new ATOM 0 HA HIS A 43 123.822 12.204 7.190 1.00 0.00 H new ATOM 0 HB2 HIS A 43 124.100 12.228 4.578 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.720 13.309 4.580 1.00 0.00 H new ATOM 0 HD2 HIS A 43 126.500 13.353 5.616 1.00 0.00 H new ATOM 0 HE1 HIS A 43 124.925 17.197 6.377 1.00 0.00 H new ATOM 0 HE2 HIS A 43 127.087 15.830 6.283 1.00 0.00 H new ATOM 652 N ALA A 44 122.169 14.050 7.856 1.00 0.00 N ATOM 653 CA ALA A 44 121.092 14.884 8.467 1.00 0.00 C ATOM 654 C ALA A 44 120.257 15.543 7.365 1.00 0.00 C ATOM 655 O ALA A 44 119.089 15.824 7.545 1.00 0.00 O ATOM 656 CB ALA A 44 121.734 15.966 9.351 1.00 0.00 C ATOM 0 H ALA A 44 123.118 14.294 8.139 1.00 0.00 H new ATOM 0 HA ALA A 44 120.442 14.254 9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.953 16.579 9.801 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.321 15.492 10.138 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.384 16.595 8.742 1.00 0.00 H new ATOM 662 N ASN A 45 120.851 15.812 6.238 1.00 0.00 N ATOM 663 CA ASN A 45 120.093 16.464 5.134 1.00 0.00 C ATOM 664 C ASN A 45 119.530 15.397 4.194 1.00 0.00 C ATOM 665 O ASN A 45 118.539 15.604 3.525 1.00 0.00 O ATOM 666 CB ASN A 45 121.029 17.389 4.351 1.00 0.00 C ATOM 667 CG ASN A 45 120.206 18.442 3.605 1.00 0.00 C ATOM 668 OD1 ASN A 45 119.230 18.947 4.122 1.00 0.00 O ATOM 669 ND2 ASN A 45 120.562 18.796 2.400 1.00 0.00 N ATOM 0 H ASN A 45 121.829 15.609 6.032 1.00 0.00 H new ATOM 0 HA ASN A 45 119.272 17.044 5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.729 17.875 5.031 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.622 16.809 3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 45 120.021 19.496 1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.382 18.372 1.965 1.00 0.00 H new ATOM 676 N ASP A 46 120.173 14.264 4.128 1.00 0.00 N ATOM 677 CA ASP A 46 119.690 13.186 3.219 1.00 0.00 C ATOM 678 C ASP A 46 118.474 12.489 3.832 1.00 0.00 C ATOM 679 O ASP A 46 118.463 12.156 5.001 1.00 0.00 O ATOM 680 CB ASP A 46 120.808 12.161 3.016 1.00 0.00 C ATOM 681 CG ASP A 46 121.957 12.802 2.233 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.741 13.854 1.653 1.00 0.00 O ATOM 683 OD2 ASP A 46 123.035 12.231 2.228 1.00 0.00 O ATOM 0 H ASP A 46 121.011 14.038 4.663 1.00 0.00 H new ATOM 0 HA ASP A 46 119.407 13.624 2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.167 11.804 3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.427 11.294 2.477 1.00 0.00 H new ATOM 688 N LEU A 47 117.458 12.244 3.048 1.00 0.00 N ATOM 689 CA LEU A 47 116.254 11.546 3.583 1.00 0.00 C ATOM 690 C LEU A 47 116.563 10.054 3.670 1.00 0.00 C ATOM 691 O LEU A 47 117.327 9.533 2.880 1.00 0.00 O ATOM 692 CB LEU A 47 115.063 11.769 2.650 1.00 0.00 C ATOM 693 CG LEU A 47 114.762 13.265 2.538 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.594 13.475 1.575 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.391 13.819 3.916 1.00 0.00 C ATOM 0 H LEU A 47 117.410 12.497 2.061 1.00 0.00 H new ATOM 0 HA LEU A 47 116.004 11.939 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.280 11.358 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.189 11.241 3.030 1.00 0.00 H new ATOM 0 HG LEU A 47 115.644 13.786 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.377 14.540 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.857 13.082 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.714 12.953 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 47 114.177 14.885 3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.509 13.300 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 47 115.222 13.668 4.605 1.00 0.00 H new ATOM 707 N ILE A 48 115.986 9.358 4.622 1.00 0.00 N ATOM 708 CA ILE A 48 116.268 7.895 4.746 1.00 0.00 C ATOM 709 C ILE A 48 114.966 7.093 4.655 1.00 0.00 C ATOM 710 O ILE A 48 113.923 7.516 5.116 1.00 0.00 O ATOM 711 CB ILE A 48 116.930 7.631 6.101 1.00 0.00 C ATOM 712 CG1 ILE A 48 116.002 8.095 7.230 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.251 8.395 6.186 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.574 7.661 8.582 1.00 0.00 C ATOM 0 H ILE A 48 115.338 9.737 5.312 1.00 0.00 H new ATOM 0 HA ILE A 48 116.929 7.587 3.936 1.00 0.00 H new ATOM 0 HB ILE A 48 117.120 6.563 6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 48 115.894 9.179 7.202 1.00 0.00 H new ATOM 0 HG13 ILE A 48 115.007 7.671 7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.720 8.205 7.152 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.915 8.063 5.388 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.061 9.463 6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.911 7.993 9.381 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.659 6.575 8.609 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.559 8.106 8.720 1.00 0.00 H new ATOM 726 N GLY A 49 115.031 5.935 4.060 1.00 0.00 N ATOM 727 CA GLY A 49 113.803 5.090 3.937 1.00 0.00 C ATOM 728 C GLY A 49 114.133 3.835 3.128 1.00 0.00 C ATOM 729 O GLY A 49 115.274 3.569 2.831 1.00 0.00 O ATOM 0 H GLY A 49 115.877 5.535 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.437 4.814 4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.008 5.653 3.449 1.00 0.00 H new ATOM 733 N PHE A 50 113.143 3.062 2.767 1.00 0.00 N ATOM 734 CA PHE A 50 113.417 1.831 1.969 1.00 0.00 C ATOM 735 C PHE A 50 112.095 1.201 1.521 1.00 0.00 C ATOM 736 O PHE A 50 111.027 1.610 1.937 1.00 0.00 O ATOM 737 CB PHE A 50 114.211 0.828 2.807 1.00 0.00 C ATOM 738 CG PHE A 50 113.331 0.268 3.895 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.267 0.902 5.140 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.581 -0.889 3.659 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.452 0.377 6.151 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.768 -1.415 4.669 1.00 0.00 C ATOM 743 CZ PHE A 50 111.703 -0.782 5.915 1.00 0.00 C ATOM 0 H PHE A 50 112.161 3.228 2.989 1.00 0.00 H new ATOM 0 HA PHE A 50 114.004 2.100 1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.581 0.022 2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.083 1.314 3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 50 113.846 1.796 5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.630 -1.377 2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.401 0.866 7.112 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.191 -2.309 4.487 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.075 -1.187 6.695 1.00 0.00 H new ATOM 753 N LYS A 51 112.156 0.210 0.671 1.00 0.00 N ATOM 754 CA LYS A 51 110.903 -0.442 0.193 1.00 0.00 C ATOM 755 C LYS A 51 111.153 -1.929 -0.057 1.00 0.00 C ATOM 756 O LYS A 51 112.218 -2.327 -0.495 1.00 0.00 O ATOM 757 CB LYS A 51 110.448 0.228 -1.103 1.00 0.00 C ATOM 758 CG LYS A 51 109.133 -0.394 -1.574 1.00 0.00 C ATOM 759 CD LYS A 51 108.655 0.323 -2.839 1.00 0.00 C ATOM 760 CE LYS A 51 107.329 -0.283 -3.301 1.00 0.00 C ATOM 761 NZ LYS A 51 106.865 0.415 -4.534 1.00 0.00 N ATOM 0 H LYS A 51 113.019 -0.175 0.288 1.00 0.00 H new ATOM 0 HA LYS A 51 110.128 -0.335 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.318 1.298 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.212 0.111 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.272 -1.456 -1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.379 -0.314 -0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.531 1.388 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.403 0.230 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.453 -1.348 -3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 51 106.581 -0.189 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 105.963 0.003 -4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 106.731 1.426 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 107.576 0.304 -5.284 1.00 0.00 H new ATOM 775 N CYS A 52 110.176 -2.759 0.209 1.00 0.00 N ATOM 776 CA CYS A 52 110.331 -4.223 -0.016 1.00 0.00 C ATOM 777 C CYS A 52 109.186 -4.702 -0.921 1.00 0.00 C ATOM 778 O CYS A 52 108.116 -4.127 -0.922 1.00 0.00 O ATOM 779 CB CYS A 52 110.251 -4.946 1.335 1.00 0.00 C ATOM 780 SG CYS A 52 111.699 -4.528 2.339 1.00 0.00 S ATOM 0 H CYS A 52 109.267 -2.478 0.577 1.00 0.00 H new ATOM 0 HA CYS A 52 111.291 -4.436 -0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.339 -4.659 1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.204 -6.024 1.179 1.00 0.00 H new ATOM 785 N PRO A 53 109.396 -5.748 -1.681 1.00 0.00 N ATOM 786 CA PRO A 53 108.348 -6.294 -2.595 1.00 0.00 C ATOM 787 C PRO A 53 107.021 -6.540 -1.864 1.00 0.00 C ATOM 788 O PRO A 53 106.990 -6.817 -0.683 1.00 0.00 O ATOM 789 CB PRO A 53 108.944 -7.616 -3.114 1.00 0.00 C ATOM 790 CG PRO A 53 110.161 -7.873 -2.281 1.00 0.00 C ATOM 791 CD PRO A 53 110.637 -6.521 -1.770 1.00 0.00 C ATOM 0 HA PRO A 53 108.109 -5.596 -3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.227 -8.431 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.203 -7.540 -4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 53 109.928 -8.540 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 53 110.938 -8.359 -2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.130 -6.606 -0.802 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.352 -6.060 -2.452 1.00 0.00 H new ATOM 799 N SER A 54 105.926 -6.423 -2.563 1.00 0.00 N ATOM 800 CA SER A 54 104.595 -6.625 -1.924 1.00 0.00 C ATOM 801 C SER A 54 104.376 -8.104 -1.585 1.00 0.00 C ATOM 802 O SER A 54 103.453 -8.454 -0.877 1.00 0.00 O ATOM 803 CB SER A 54 103.499 -6.163 -2.883 1.00 0.00 C ATOM 804 OG SER A 54 103.581 -4.754 -3.046 1.00 0.00 O ATOM 0 H SER A 54 105.896 -6.194 -3.557 1.00 0.00 H new ATOM 0 HA SER A 54 104.559 -6.044 -1.003 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.610 -6.659 -3.847 1.00 0.00 H new ATOM 0 HB3 SER A 54 102.519 -6.439 -2.494 1.00 0.00 H new ATOM 0 HG SER A 54 102.880 -4.455 -3.662 1.00 0.00 H new ATOM 810 N ASN A 55 105.204 -8.978 -2.089 1.00 0.00 N ATOM 811 CA ASN A 55 105.015 -10.428 -1.795 1.00 0.00 C ATOM 812 C ASN A 55 105.842 -10.831 -0.571 1.00 0.00 C ATOM 813 O ASN A 55 105.832 -11.970 -0.162 1.00 0.00 O ATOM 814 CB ASN A 55 105.473 -11.252 -3.000 1.00 0.00 C ATOM 815 CG ASN A 55 104.596 -10.922 -4.209 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.385 -10.968 -4.127 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.162 -10.588 -5.334 1.00 0.00 N ATOM 0 H ASN A 55 105.998 -8.753 -2.688 1.00 0.00 H new ATOM 0 HA ASN A 55 103.960 -10.614 -1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.517 -11.036 -3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.410 -12.316 -2.771 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.588 -10.365 -6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.179 -10.550 -5.402 1.00 0.00 H new ATOM 824 N TYR A 56 106.552 -9.909 0.016 1.00 0.00 N ATOM 825 CA TYR A 56 107.382 -10.236 1.220 1.00 0.00 C ATOM 826 C TYR A 56 106.761 -9.628 2.474 1.00 0.00 C ATOM 827 O TYR A 56 105.916 -8.759 2.401 1.00 0.00 O ATOM 828 CB TYR A 56 108.792 -9.693 1.013 1.00 0.00 C ATOM 829 CG TYR A 56 109.580 -10.658 0.154 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.230 -10.858 -1.185 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.679 -11.334 0.696 1.00 0.00 C ATOM 832 CE1 TYR A 56 109.969 -11.740 -1.979 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.420 -12.218 -0.096 1.00 0.00 C ATOM 834 CZ TYR A 56 111.065 -12.420 -1.435 1.00 0.00 C ATOM 835 OH TYR A 56 111.794 -13.292 -2.217 1.00 0.00 O ATOM 0 H TYR A 56 106.596 -8.935 -0.285 1.00 0.00 H new ATOM 0 HA TYR A 56 107.422 -11.317 1.350 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.750 -8.714 0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.287 -9.558 1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.387 -10.330 -1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.956 -11.173 1.727 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.694 -11.897 -3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.264 -12.744 0.325 1.00 0.00 H new ATOM 0 HH TYR A 56 112.521 -13.679 -1.685 1.00 0.00 H new ATOM 845 N SER A 57 107.179 -10.080 3.630 1.00 0.00 N ATOM 846 CA SER A 57 106.618 -9.525 4.896 1.00 0.00 C ATOM 847 C SER A 57 107.641 -8.573 5.522 1.00 0.00 C ATOM 848 O SER A 57 108.792 -8.919 5.711 1.00 0.00 O ATOM 849 CB SER A 57 106.326 -10.670 5.866 1.00 0.00 C ATOM 850 OG SER A 57 105.347 -11.528 5.297 1.00 0.00 O ATOM 0 H SER A 57 107.883 -10.808 3.750 1.00 0.00 H new ATOM 0 HA SER A 57 105.695 -8.985 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 57 107.239 -11.228 6.074 1.00 0.00 H new ATOM 0 HB3 SER A 57 105.971 -10.274 6.818 1.00 0.00 H new ATOM 0 HG SER A 57 105.158 -12.264 5.915 1.00 0.00 H new ATOM 856 N VAL A 58 107.238 -7.373 5.846 1.00 0.00 N ATOM 857 CA VAL A 58 108.204 -6.413 6.451 1.00 0.00 C ATOM 858 C VAL A 58 108.225 -6.575 7.976 1.00 0.00 C ATOM 859 O VAL A 58 107.265 -6.294 8.667 1.00 0.00 O ATOM 860 CB VAL A 58 107.801 -4.979 6.089 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.453 -4.907 4.603 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.585 -4.555 6.917 1.00 0.00 C ATOM 0 H VAL A 58 106.290 -7.019 5.719 1.00 0.00 H new ATOM 0 HA VAL A 58 109.200 -6.619 6.060 1.00 0.00 H new ATOM 0 HB VAL A 58 108.633 -4.309 6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 58 107.166 -3.887 4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 58 108.320 -5.201 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.624 -5.582 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.304 -3.535 6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.751 -5.226 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.833 -4.602 7.977 1.00 0.00 H new ATOM 872 N GLU A 59 109.337 -7.011 8.502 1.00 0.00 N ATOM 873 CA GLU A 59 109.470 -7.182 9.976 1.00 0.00 C ATOM 874 C GLU A 59 110.621 -6.290 10.454 1.00 0.00 C ATOM 875 O GLU A 59 111.713 -6.363 9.925 1.00 0.00 O ATOM 876 CB GLU A 59 109.802 -8.640 10.304 1.00 0.00 C ATOM 877 CG GLU A 59 108.519 -9.478 10.323 1.00 0.00 C ATOM 878 CD GLU A 59 108.835 -10.911 9.886 1.00 0.00 C ATOM 879 OE1 GLU A 59 109.362 -11.075 8.797 1.00 0.00 O ATOM 880 OE2 GLU A 59 108.547 -11.820 10.648 1.00 0.00 O ATOM 0 H GLU A 59 110.169 -7.259 7.966 1.00 0.00 H new ATOM 0 HA GLU A 59 108.536 -6.910 10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.496 -9.039 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.299 -8.699 11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.088 -9.479 11.324 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.776 -9.039 9.657 1.00 0.00 H new ATOM 887 N PRO A 60 110.397 -5.446 11.430 1.00 0.00 N ATOM 888 CA PRO A 60 111.462 -4.541 11.935 1.00 0.00 C ATOM 889 C PRO A 60 112.443 -5.265 12.855 1.00 0.00 C ATOM 890 O PRO A 60 112.097 -5.669 13.940 1.00 0.00 O ATOM 891 CB PRO A 60 110.679 -3.488 12.720 1.00 0.00 C ATOM 892 CG PRO A 60 109.460 -4.196 13.206 1.00 0.00 C ATOM 893 CD PRO A 60 109.129 -5.256 12.156 1.00 0.00 C ATOM 0 HA PRO A 60 112.071 -4.131 11.129 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.266 -3.098 13.551 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.417 -2.639 12.089 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.639 -4.655 14.178 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.630 -3.500 13.330 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.791 -6.183 12.618 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.333 -4.923 11.490 1.00 0.00 H new ATOM 901 N HIS A 61 113.671 -5.403 12.439 1.00 0.00 N ATOM 902 CA HIS A 61 114.679 -6.073 13.308 1.00 0.00 C ATOM 903 C HIS A 61 115.406 -4.993 14.109 1.00 0.00 C ATOM 904 O HIS A 61 115.947 -5.238 15.168 1.00 0.00 O ATOM 905 CB HIS A 61 115.673 -6.849 12.445 1.00 0.00 C ATOM 906 CG HIS A 61 116.401 -7.847 13.302 1.00 0.00 C ATOM 907 ND1 HIS A 61 116.777 -7.564 14.609 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.836 -9.126 13.056 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.407 -8.651 15.094 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.468 -9.627 14.188 1.00 0.00 N ATOM 0 H HIS A 61 114.020 -5.081 11.536 1.00 0.00 H new ATOM 0 HA HIS A 61 114.192 -6.776 13.984 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.149 -7.360 11.637 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.383 -6.164 11.982 1.00 0.00 H new ATOM 0 HD1 HIS A 61 116.607 -6.692 15.110 1.00 0.00 H new ATOM 0 HD2 HIS A 61 116.707 -9.660 12.126 1.00 0.00 H new ATOM 0 HE1 HIS A 61 117.812 -8.723 16.092 1.00 0.00 H new ATOM 919 N ASP A 62 115.406 -3.793 13.600 1.00 0.00 N ATOM 920 CA ASP A 62 116.073 -2.664 14.303 1.00 0.00 C ATOM 921 C ASP A 62 115.737 -1.369 13.564 1.00 0.00 C ATOM 922 O ASP A 62 116.604 -0.604 13.208 1.00 0.00 O ATOM 923 CB ASP A 62 117.591 -2.882 14.314 1.00 0.00 C ATOM 924 CG ASP A 62 118.258 -1.785 15.145 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.566 -0.859 15.533 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.450 -1.892 15.385 1.00 0.00 O ATOM 0 H ASP A 62 114.966 -3.544 12.714 1.00 0.00 H new ATOM 0 HA ASP A 62 115.724 -2.606 15.334 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.825 -3.862 14.730 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.979 -2.868 13.295 1.00 0.00 H new ATOM 931 N CYS A 63 114.474 -1.136 13.319 1.00 0.00 N ATOM 932 CA CYS A 63 114.058 0.097 12.589 1.00 0.00 C ATOM 933 C CYS A 63 114.126 1.303 13.528 1.00 0.00 C ATOM 934 O CYS A 63 114.927 1.335 14.440 1.00 0.00 O ATOM 935 CB CYS A 63 112.632 -0.084 12.064 1.00 0.00 C ATOM 936 SG CYS A 63 112.603 -1.436 10.858 1.00 0.00 S ATOM 0 H CYS A 63 113.709 -1.751 13.595 1.00 0.00 H new ATOM 0 HA CYS A 63 114.731 0.270 11.749 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.954 -0.303 12.889 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.283 0.839 11.601 1.00 0.00 H new ATOM 941 N PHE A 64 113.307 2.306 13.309 1.00 0.00 N ATOM 942 CA PHE A 64 113.355 3.515 14.191 1.00 0.00 C ATOM 943 C PHE A 64 112.103 3.612 15.077 1.00 0.00 C ATOM 944 O PHE A 64 112.204 3.646 16.287 1.00 0.00 O ATOM 945 CB PHE A 64 113.483 4.770 13.327 1.00 0.00 C ATOM 946 CG PHE A 64 112.515 4.710 12.173 1.00 0.00 C ATOM 947 CD1 PHE A 64 112.809 3.925 11.052 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.323 5.442 12.223 1.00 0.00 C ATOM 949 CE1 PHE A 64 111.910 3.872 9.980 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.426 5.391 11.150 1.00 0.00 C ATOM 951 CZ PHE A 64 110.719 4.606 10.030 1.00 0.00 C ATOM 0 H PHE A 64 112.612 2.339 12.563 1.00 0.00 H new ATOM 0 HA PHE A 64 114.221 3.428 14.847 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.287 5.657 13.930 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.502 4.859 12.952 1.00 0.00 H new ATOM 0 HD1 PHE A 64 113.729 3.360 11.014 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.096 6.046 13.089 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.135 3.265 9.115 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.507 5.958 11.187 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.026 4.566 9.203 1.00 0.00 H new ATOM 961 N VAL A 65 110.927 3.667 14.504 1.00 0.00 N ATOM 962 CA VAL A 65 109.704 3.774 15.362 1.00 0.00 C ATOM 963 C VAL A 65 109.821 2.774 16.515 1.00 0.00 C ATOM 964 O VAL A 65 110.017 3.144 17.656 1.00 0.00 O ATOM 965 CB VAL A 65 108.449 3.463 14.539 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.279 3.172 15.485 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.097 4.667 13.663 1.00 0.00 C ATOM 0 H VAL A 65 110.760 3.643 13.498 1.00 0.00 H new ATOM 0 HA VAL A 65 109.623 4.789 15.752 1.00 0.00 H new ATOM 0 HB VAL A 65 108.639 2.595 13.908 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.386 2.951 14.901 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.523 2.315 16.113 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.095 4.043 16.114 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.204 4.443 13.079 1.00 0.00 H new ATOM 0 HG22 VAL A 65 107.909 5.535 14.296 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.927 4.882 12.990 1.00 0.00 H new ATOM 977 N SER A 66 109.719 1.509 16.217 1.00 0.00 N ATOM 978 CA SER A 66 109.843 0.473 17.280 1.00 0.00 C ATOM 979 C SER A 66 110.525 -0.751 16.673 1.00 0.00 C ATOM 980 O SER A 66 110.133 -1.228 15.626 1.00 0.00 O ATOM 981 CB SER A 66 108.456 0.091 17.798 1.00 0.00 C ATOM 982 OG SER A 66 108.594 -0.837 18.868 1.00 0.00 O ATOM 0 H SER A 66 109.554 1.146 15.278 1.00 0.00 H new ATOM 0 HA SER A 66 110.430 0.857 18.114 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.925 0.980 18.138 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.863 -0.347 16.995 1.00 0.00 H new ATOM 0 HG SER A 66 107.707 -1.083 19.204 1.00 0.00 H new ATOM 988 N ALA A 67 111.553 -1.258 17.301 1.00 0.00 N ATOM 989 CA ALA A 67 112.249 -2.438 16.712 1.00 0.00 C ATOM 990 C ALA A 67 113.212 -3.052 17.731 1.00 0.00 C ATOM 991 O ALA A 67 113.331 -2.594 18.849 1.00 0.00 O ATOM 992 CB ALA A 67 113.040 -1.988 15.484 1.00 0.00 C ATOM 0 H ALA A 67 111.935 -0.913 18.181 1.00 0.00 H new ATOM 0 HA ALA A 67 111.507 -3.185 16.431 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.552 -2.845 15.047 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.358 -1.559 14.749 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.774 -1.238 15.779 1.00 0.00 H new ATOM 998 N PHE A 68 113.894 -4.095 17.344 1.00 0.00 N ATOM 999 CA PHE A 68 114.848 -4.756 18.277 1.00 0.00 C ATOM 1000 C PHE A 68 116.246 -4.172 18.042 1.00 0.00 C ATOM 1001 O PHE A 68 116.633 -3.907 16.925 1.00 0.00 O ATOM 1002 CB PHE A 68 114.881 -6.263 17.998 1.00 0.00 C ATOM 1003 CG PHE A 68 113.474 -6.787 17.816 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.777 -6.511 16.634 1.00 0.00 C ATOM 1005 CD2 PHE A 68 112.870 -7.556 18.818 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.478 -7.003 16.452 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.570 -8.046 18.636 1.00 0.00 C ATOM 1008 CZ PHE A 68 110.875 -7.769 17.450 1.00 0.00 C ATOM 0 H PHE A 68 113.831 -4.519 16.418 1.00 0.00 H new ATOM 0 HA PHE A 68 114.535 -4.586 19.307 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.471 -6.463 17.103 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.368 -6.783 18.823 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.242 -5.917 15.861 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.406 -7.771 19.731 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.943 -6.789 15.539 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.103 -8.637 19.410 1.00 0.00 H new ATOM 0 HZ PHE A 68 109.874 -8.148 17.309 1.00 0.00 H new ATOM 1018 N ASN A 69 117.004 -3.965 19.080 1.00 0.00 N ATOM 1019 CA ASN A 69 118.369 -3.389 18.899 1.00 0.00 C ATOM 1020 C ASN A 69 119.342 -4.493 18.481 1.00 0.00 C ATOM 1021 O ASN A 69 118.947 -5.596 18.163 1.00 0.00 O ATOM 1022 CB ASN A 69 118.842 -2.769 20.214 1.00 0.00 C ATOM 1023 CG ASN A 69 117.874 -1.665 20.633 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.273 -1.748 21.786 1.00 0.00 O flip ATOM 1025 ND2 ASN A 69 117.658 -0.718 19.902 1.00 0.00 N flip ATOM 0 H ASN A 69 116.741 -4.168 20.044 1.00 0.00 H new ATOM 0 HA ASN A 69 118.335 -2.622 18.125 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.897 -3.533 20.990 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.846 -2.362 20.096 1.00 0.00 H new ATOM 0 HD21 ASN A 69 118.128 -0.653 18.999 1.00 0.00 H new ATOM 0 HD22 ASN A 69 117.006 0.011 20.191 1.00 0.00 H new ATOM 1032 N LEU A 70 120.614 -4.202 18.481 1.00 0.00 N ATOM 1033 CA LEU A 70 121.616 -5.232 18.084 1.00 0.00 C ATOM 1034 C LEU A 70 121.640 -6.335 19.144 1.00 0.00 C ATOM 1035 O LEU A 70 122.178 -7.404 18.932 1.00 0.00 O ATOM 1036 CB LEU A 70 123.002 -4.587 17.979 1.00 0.00 C ATOM 1037 CG LEU A 70 123.130 -3.862 16.636 1.00 0.00 C ATOM 1038 CD1 LEU A 70 122.198 -2.648 16.619 1.00 0.00 C ATOM 1039 CD2 LEU A 70 124.574 -3.392 16.440 1.00 0.00 C ATOM 0 H LEU A 70 121.003 -3.295 18.739 1.00 0.00 H new ATOM 0 HA LEU A 70 121.347 -5.656 17.117 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.150 -3.884 18.799 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.777 -5.349 18.068 1.00 0.00 H new ATOM 0 HG LEU A 70 122.857 -4.545 15.832 1.00 0.00 H new ATOM 0 HD11 LEU A 70 122.290 -2.132 15.663 1.00 0.00 H new ATOM 0 HD12 LEU A 70 121.168 -2.978 16.756 1.00 0.00 H new ATOM 0 HD13 LEU A 70 122.472 -1.968 17.426 1.00 0.00 H new ATOM 0 HD21 LEU A 70 124.662 -2.877 15.484 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.848 -2.711 17.246 1.00 0.00 H new ATOM 0 HD23 LEU A 70 125.242 -4.254 16.451 1.00 0.00 H new ATOM 1051 N SER A 71 121.051 -6.085 20.283 1.00 0.00 N ATOM 1052 CA SER A 71 121.020 -7.119 21.354 1.00 0.00 C ATOM 1053 C SER A 71 119.757 -7.965 21.192 1.00 0.00 C ATOM 1054 O SER A 71 119.564 -8.956 21.869 1.00 0.00 O ATOM 1055 CB SER A 71 121.005 -6.439 22.722 1.00 0.00 C ATOM 1056 OG SER A 71 121.031 -7.431 23.741 1.00 0.00 O ATOM 0 H SER A 71 120.589 -5.206 20.517 1.00 0.00 H new ATOM 0 HA SER A 71 121.903 -7.754 21.278 1.00 0.00 H new ATOM 0 HB2 SER A 71 121.865 -5.777 22.821 1.00 0.00 H new ATOM 0 HB3 SER A 71 120.113 -5.820 22.824 1.00 0.00 H new ATOM 0 HG SER A 71 120.611 -8.252 23.409 1.00 0.00 H new ATOM 1062 N GLY A 72 118.891 -7.574 20.294 1.00 0.00 N ATOM 1063 CA GLY A 72 117.634 -8.341 20.080 1.00 0.00 C ATOM 1064 C GLY A 72 116.601 -7.931 21.130 1.00 0.00 C ATOM 1065 O GLY A 72 115.691 -8.674 21.443 1.00 0.00 O ATOM 0 H GLY A 72 119.003 -6.753 19.699 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.246 -8.152 19.079 1.00 0.00 H new ATOM 0 HA3 GLY A 72 117.832 -9.411 20.148 1.00 0.00 H new ATOM 1069 N LYS A 73 116.732 -6.751 21.679 1.00 0.00 N ATOM 1070 CA LYS A 73 115.755 -6.289 22.710 1.00 0.00 C ATOM 1071 C LYS A 73 114.860 -5.205 22.102 1.00 0.00 C ATOM 1072 O LYS A 73 115.325 -4.323 21.412 1.00 0.00 O ATOM 1073 CB LYS A 73 116.520 -5.716 23.908 1.00 0.00 C ATOM 1074 CG LYS A 73 117.315 -6.832 24.592 1.00 0.00 C ATOM 1075 CD LYS A 73 118.084 -6.257 25.785 1.00 0.00 C ATOM 1076 CE LYS A 73 118.866 -7.375 26.478 1.00 0.00 C ATOM 1077 NZ LYS A 73 119.625 -6.811 27.630 1.00 0.00 N ATOM 0 H LYS A 73 117.474 -6.087 21.458 1.00 0.00 H new ATOM 0 HA LYS A 73 115.139 -7.125 23.041 1.00 0.00 H new ATOM 0 HB2 LYS A 73 117.194 -4.926 23.578 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.824 -5.266 24.615 1.00 0.00 H new ATOM 0 HG2 LYS A 73 116.641 -7.620 24.927 1.00 0.00 H new ATOM 0 HG3 LYS A 73 118.008 -7.285 23.884 1.00 0.00 H new ATOM 0 HD2 LYS A 73 118.766 -5.476 25.449 1.00 0.00 H new ATOM 0 HD3 LYS A 73 117.392 -5.794 26.488 1.00 0.00 H new ATOM 0 HE2 LYS A 73 118.183 -8.151 26.824 1.00 0.00 H new ATOM 0 HE3 LYS A 73 119.551 -7.845 25.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 120.156 -7.571 28.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 120.287 -6.086 27.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 118.961 -6.382 28.306 1.00 0.00 H new ATOM 1091 N ASN A 74 113.577 -5.266 22.351 1.00 0.00 N ATOM 1092 CA ASN A 74 112.653 -4.241 21.780 1.00 0.00 C ATOM 1093 C ASN A 74 112.931 -2.873 22.415 1.00 0.00 C ATOM 1094 O ASN A 74 113.100 -2.757 23.612 1.00 0.00 O ATOM 1095 CB ASN A 74 111.204 -4.648 22.051 1.00 0.00 C ATOM 1096 CG ASN A 74 110.279 -3.908 21.084 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.613 -3.720 19.930 1.00 0.00 O ATOM 1098 ND2 ASN A 74 109.125 -3.472 21.508 1.00 0.00 N ATOM 0 H ASN A 74 113.130 -5.981 22.925 1.00 0.00 H new ATOM 0 HA ASN A 74 112.816 -4.174 20.704 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.088 -5.725 21.930 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.935 -4.413 23.081 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.503 -2.974 20.872 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.845 -3.630 22.476 1.00 0.00 H new ATOM 1105 N GLU A 75 112.991 -1.840 21.614 1.00 0.00 N ATOM 1106 CA GLU A 75 113.270 -0.479 22.156 1.00 0.00 C ATOM 1107 C GLU A 75 112.702 0.579 21.203 1.00 0.00 C ATOM 1108 O GLU A 75 112.370 0.293 20.065 1.00 0.00 O ATOM 1109 CB GLU A 75 114.781 -0.290 22.305 1.00 0.00 C ATOM 1110 CG GLU A 75 115.076 1.074 22.936 1.00 0.00 C ATOM 1111 CD GLU A 75 116.565 1.183 23.259 1.00 0.00 C ATOM 1112 OE1 GLU A 75 117.318 0.363 22.770 1.00 0.00 O ATOM 1113 OE2 GLU A 75 116.926 2.086 23.993 1.00 0.00 O ATOM 0 H GLU A 75 112.858 -1.882 20.604 1.00 0.00 H new ATOM 0 HA GLU A 75 112.797 -0.370 23.132 1.00 0.00 H new ATOM 0 HB2 GLU A 75 115.196 -1.085 22.925 1.00 0.00 H new ATOM 0 HB3 GLU A 75 115.263 -0.361 21.330 1.00 0.00 H new ATOM 0 HG2 GLU A 75 114.783 1.872 22.253 1.00 0.00 H new ATOM 0 HG3 GLU A 75 114.487 1.200 23.845 1.00 0.00 H new ATOM 1120 N ASN A 76 112.607 1.805 21.652 1.00 0.00 N ATOM 1121 CA ASN A 76 112.083 2.892 20.774 1.00 0.00 C ATOM 1122 C ASN A 76 113.240 3.806 20.342 1.00 0.00 C ATOM 1123 O ASN A 76 114.115 4.127 21.124 1.00 0.00 O ATOM 1124 CB ASN A 76 111.035 3.704 21.536 1.00 0.00 C ATOM 1125 CG ASN A 76 109.737 2.897 21.633 1.00 0.00 C ATOM 1126 OD1 ASN A 76 109.718 1.818 22.192 1.00 0.00 O ATOM 1127 ND2 ASN A 76 108.645 3.375 21.100 1.00 0.00 N ATOM 0 H ASN A 76 112.871 2.100 22.592 1.00 0.00 H new ATOM 0 HA ASN A 76 111.622 2.455 19.888 1.00 0.00 H new ATOM 0 HB2 ASN A 76 111.401 3.946 22.534 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.851 4.650 21.026 1.00 0.00 H new ATOM 0 HD21 ASN A 76 107.776 2.843 21.153 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.661 4.281 20.631 1.00 0.00 H new ATOM 1134 N LEU A 77 113.255 4.224 19.102 1.00 0.00 N ATOM 1135 CA LEU A 77 114.355 5.110 18.621 1.00 0.00 C ATOM 1136 C LEU A 77 113.919 6.578 18.699 1.00 0.00 C ATOM 1137 O LEU A 77 114.714 7.477 18.515 1.00 0.00 O ATOM 1138 CB LEU A 77 114.691 4.752 17.171 1.00 0.00 C ATOM 1139 CG LEU A 77 116.077 5.295 16.799 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.167 4.366 17.348 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.204 5.369 15.275 1.00 0.00 C ATOM 0 H LEU A 77 112.552 3.989 18.402 1.00 0.00 H new ATOM 0 HA LEU A 77 115.234 4.968 19.250 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.670 3.670 17.042 1.00 0.00 H new ATOM 0 HB3 LEU A 77 113.938 5.168 16.502 1.00 0.00 H new ATOM 0 HG LEU A 77 116.197 6.289 17.230 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.148 4.758 17.080 1.00 0.00 H new ATOM 0 HD12 LEU A 77 117.083 4.309 18.433 1.00 0.00 H new ATOM 0 HD13 LEU A 77 117.045 3.370 16.921 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.188 5.755 15.010 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.078 4.373 14.851 1.00 0.00 H new ATOM 0 HD23 LEU A 77 115.436 6.032 14.878 1.00 0.00 H new ATOM 1153 N GLU A 78 112.663 6.832 18.949 1.00 0.00 N ATOM 1154 CA GLU A 78 112.193 8.246 19.018 1.00 0.00 C ATOM 1155 C GLU A 78 112.901 8.963 20.168 1.00 0.00 C ATOM 1156 O GLU A 78 113.366 10.075 20.022 1.00 0.00 O ATOM 1157 CB GLU A 78 110.675 8.270 19.239 1.00 0.00 C ATOM 1158 CG GLU A 78 110.345 7.846 20.672 1.00 0.00 C ATOM 1159 CD GLU A 78 108.833 7.673 20.816 1.00 0.00 C ATOM 1160 OE1 GLU A 78 108.124 8.033 19.890 1.00 0.00 O ATOM 1161 OE2 GLU A 78 108.408 7.175 21.846 1.00 0.00 O ATOM 0 H GLU A 78 111.945 6.125 19.108 1.00 0.00 H new ATOM 0 HA GLU A 78 112.425 8.756 18.083 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.288 9.271 19.050 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.186 7.600 18.532 1.00 0.00 H new ATOM 0 HG2 GLU A 78 110.853 6.912 20.913 1.00 0.00 H new ATOM 0 HG3 GLU A 78 110.705 8.596 21.377 1.00 0.00 H new ATOM 1168 N ASN A 79 112.993 8.337 21.311 1.00 0.00 N ATOM 1169 CA ASN A 79 113.681 8.994 22.458 1.00 0.00 C ATOM 1170 C ASN A 79 115.169 9.137 22.129 1.00 0.00 C ATOM 1171 O ASN A 79 115.861 9.973 22.677 1.00 0.00 O ATOM 1172 CB ASN A 79 113.515 8.135 23.715 1.00 0.00 C ATOM 1173 CG ASN A 79 114.081 6.738 23.455 1.00 0.00 C ATOM 1174 OD1 ASN A 79 114.745 6.514 22.463 1.00 0.00 O ATOM 1175 ND2 ASN A 79 113.843 5.781 24.310 1.00 0.00 N ATOM 0 H ASN A 79 112.624 7.405 21.499 1.00 0.00 H new ATOM 0 HA ASN A 79 113.246 9.977 22.635 1.00 0.00 H new ATOM 0 HB2 ASN A 79 114.032 8.598 24.556 1.00 0.00 H new ATOM 0 HB3 ASN A 79 112.461 8.068 23.986 1.00 0.00 H new ATOM 0 HD21 ASN A 79 114.215 4.846 24.145 1.00 0.00 H new ATOM 0 HD22 ASN A 79 113.285 5.969 25.143 1.00 0.00 H new ATOM 1182 N LYS A 80 115.661 8.335 21.224 1.00 0.00 N ATOM 1183 CA LYS A 80 117.096 8.428 20.840 1.00 0.00 C ATOM 1184 C LYS A 80 117.260 9.473 19.736 1.00 0.00 C ATOM 1185 O LYS A 80 118.122 10.327 19.795 1.00 0.00 O ATOM 1186 CB LYS A 80 117.576 7.064 20.333 1.00 0.00 C ATOM 1187 CG LYS A 80 119.004 7.176 19.783 1.00 0.00 C ATOM 1188 CD LYS A 80 119.947 7.653 20.890 1.00 0.00 C ATOM 1189 CE LYS A 80 121.395 7.389 20.475 1.00 0.00 C ATOM 1190 NZ LYS A 80 122.317 7.968 21.493 1.00 0.00 N ATOM 0 H LYS A 80 115.128 7.617 20.733 1.00 0.00 H new ATOM 0 HA LYS A 80 117.689 8.721 21.707 1.00 0.00 H new ATOM 0 HB2 LYS A 80 117.547 6.336 21.143 1.00 0.00 H new ATOM 0 HB3 LYS A 80 116.906 6.701 19.554 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.334 6.210 19.402 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.028 7.874 18.946 1.00 0.00 H new ATOM 0 HD2 LYS A 80 119.799 8.717 21.075 1.00 0.00 H new ATOM 0 HD3 LYS A 80 119.724 7.133 21.822 1.00 0.00 H new ATOM 0 HE2 LYS A 80 121.568 6.317 20.380 1.00 0.00 H new ATOM 0 HE3 LYS A 80 121.591 7.831 19.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 123.302 7.789 21.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 122.158 8.993 21.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 122.135 7.526 22.417 1.00 0.00 H new ATOM 1204 N LEU A 81 116.440 9.403 18.723 1.00 0.00 N ATOM 1205 CA LEU A 81 116.533 10.381 17.601 1.00 0.00 C ATOM 1206 C LEU A 81 115.187 11.092 17.441 1.00 0.00 C ATOM 1207 O LEU A 81 114.149 10.462 17.372 1.00 0.00 O ATOM 1208 CB LEU A 81 116.868 9.632 16.308 1.00 0.00 C ATOM 1209 CG LEU A 81 117.112 10.633 15.175 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.426 11.382 15.418 1.00 0.00 C ATOM 1211 CD2 LEU A 81 117.191 9.882 13.848 1.00 0.00 C ATOM 0 H LEU A 81 115.703 8.704 18.624 1.00 0.00 H new ATOM 0 HA LEU A 81 117.312 11.114 17.813 1.00 0.00 H new ATOM 0 HB2 LEU A 81 117.753 9.013 16.455 1.00 0.00 H new ATOM 0 HB3 LEU A 81 116.050 8.962 16.043 1.00 0.00 H new ATOM 0 HG LEU A 81 116.292 11.351 15.143 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.595 12.093 14.609 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.370 11.918 16.366 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.250 10.669 15.452 1.00 0.00 H new ATOM 0 HD21 LEU A 81 117.365 10.591 13.038 1.00 0.00 H new ATOM 0 HD22 LEU A 81 118.011 9.165 13.884 1.00 0.00 H new ATOM 0 HD23 LEU A 81 116.254 9.354 13.673 1.00 0.00 H new ATOM 1223 N LYS A 82 115.188 12.396 17.381 1.00 0.00 N ATOM 1224 CA LYS A 82 113.898 13.127 17.224 1.00 0.00 C ATOM 1225 C LYS A 82 113.456 13.062 15.759 1.00 0.00 C ATOM 1226 O LYS A 82 113.690 13.971 14.986 1.00 0.00 O ATOM 1227 CB LYS A 82 114.092 14.589 17.637 1.00 0.00 C ATOM 1228 CG LYS A 82 114.422 14.657 19.130 1.00 0.00 C ATOM 1229 CD LYS A 82 114.762 16.099 19.516 1.00 0.00 C ATOM 1230 CE LYS A 82 113.474 16.913 19.649 1.00 0.00 C ATOM 1231 NZ LYS A 82 113.782 18.233 20.268 1.00 0.00 N ATOM 0 H LYS A 82 116.020 12.984 17.433 1.00 0.00 H new ATOM 0 HA LYS A 82 113.136 12.670 17.855 1.00 0.00 H new ATOM 0 HB2 LYS A 82 114.896 15.039 17.055 1.00 0.00 H new ATOM 0 HB3 LYS A 82 113.188 15.161 17.427 1.00 0.00 H new ATOM 0 HG2 LYS A 82 113.574 14.303 19.717 1.00 0.00 H new ATOM 0 HG3 LYS A 82 115.263 14.001 19.357 1.00 0.00 H new ATOM 0 HD2 LYS A 82 115.312 16.114 20.457 1.00 0.00 H new ATOM 0 HD3 LYS A 82 115.409 16.545 18.761 1.00 0.00 H new ATOM 0 HE2 LYS A 82 113.019 17.056 18.669 1.00 0.00 H new ATOM 0 HE3 LYS A 82 112.751 16.373 20.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 112.906 18.787 20.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 114.198 18.086 21.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 114.457 18.749 19.668 1.00 0.00 H new ATOM 1245 N LEU A 83 112.826 11.985 15.370 1.00 0.00 N ATOM 1246 CA LEU A 83 112.372 11.848 13.956 1.00 0.00 C ATOM 1247 C LEU A 83 111.052 12.593 13.753 1.00 0.00 C ATOM 1248 O LEU A 83 110.159 12.531 14.573 1.00 0.00 O ATOM 1249 CB LEU A 83 112.172 10.366 13.627 1.00 0.00 C ATOM 1250 CG LEU A 83 113.529 9.657 13.576 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.308 8.148 13.459 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.326 10.152 12.362 1.00 0.00 C ATOM 0 H LEU A 83 112.606 11.192 15.973 1.00 0.00 H new ATOM 0 HA LEU A 83 113.128 12.275 13.297 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.536 9.900 14.380 1.00 0.00 H new ATOM 0 HB3 LEU A 83 111.661 10.262 12.670 1.00 0.00 H new ATOM 0 HG LEU A 83 114.086 9.876 14.487 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.272 7.641 13.422 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.745 7.795 14.323 1.00 0.00 H new ATOM 0 HD13 LEU A 83 112.750 7.932 12.548 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.291 9.646 12.329 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.771 9.935 11.449 1.00 0.00 H new ATOM 0 HD23 LEU A 83 114.483 11.227 12.444 1.00 0.00 H new ATOM 1264 N THR A 84 110.926 13.294 12.658 1.00 0.00 N ATOM 1265 CA THR A 84 109.662 14.046 12.386 1.00 0.00 C ATOM 1266 C THR A 84 109.140 13.671 10.998 1.00 0.00 C ATOM 1267 O THR A 84 109.856 13.123 10.187 1.00 0.00 O ATOM 1268 CB THR A 84 109.938 15.551 12.436 1.00 0.00 C ATOM 1269 OG1 THR A 84 110.798 15.907 11.364 1.00 0.00 O ATOM 1270 CG2 THR A 84 110.604 15.909 13.766 1.00 0.00 C ATOM 0 H THR A 84 111.643 13.380 11.938 1.00 0.00 H new ATOM 0 HA THR A 84 108.918 13.790 13.140 1.00 0.00 H new ATOM 0 HB THR A 84 108.998 16.095 12.347 1.00 0.00 H new ATOM 0 HG1 THR A 84 110.975 16.870 11.393 1.00 0.00 H new ATOM 0 HG21 THR A 84 110.799 16.981 13.798 1.00 0.00 H new ATOM 0 HG22 THR A 84 109.944 15.635 14.589 1.00 0.00 H new ATOM 0 HG23 THR A 84 111.545 15.366 13.860 1.00 0.00 H new ATOM 1278 N ASN A 85 107.895 13.960 10.719 1.00 0.00 N ATOM 1279 CA ASN A 85 107.333 13.620 9.382 1.00 0.00 C ATOM 1280 C ASN A 85 107.530 12.127 9.106 1.00 0.00 C ATOM 1281 O ASN A 85 108.045 11.739 8.076 1.00 0.00 O ATOM 1282 CB ASN A 85 108.044 14.439 8.303 1.00 0.00 C ATOM 1283 CG ASN A 85 107.668 15.914 8.449 1.00 0.00 C ATOM 1284 OD1 ASN A 85 108.424 16.825 7.901 1.00 0.00 O flip ATOM 1285 ND2 ASN A 85 106.675 16.241 9.069 1.00 0.00 N flip ATOM 0 H ASN A 85 107.246 14.416 11.360 1.00 0.00 H new ATOM 0 HA ASN A 85 106.268 13.852 9.369 1.00 0.00 H new ATOM 0 HB2 ASN A 85 109.124 14.318 8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 85 107.763 14.078 7.314 1.00 0.00 H new ATOM 0 HD21 ASN A 85 106.084 15.529 9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 85 106.433 17.228 9.161 1.00 0.00 H new ATOM 1292 N ILE A 86 107.135 11.290 10.024 1.00 0.00 N ATOM 1293 CA ILE A 86 107.308 9.822 9.829 1.00 0.00 C ATOM 1294 C ILE A 86 106.194 9.277 8.929 1.00 0.00 C ATOM 1295 O ILE A 86 105.027 9.544 9.138 1.00 0.00 O ATOM 1296 CB ILE A 86 107.261 9.130 11.192 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.452 9.595 12.035 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.330 7.614 11.002 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.281 9.113 13.476 1.00 0.00 C ATOM 0 H ILE A 86 106.698 11.560 10.905 1.00 0.00 H new ATOM 0 HA ILE A 86 108.268 9.628 9.351 1.00 0.00 H new ATOM 0 HB ILE A 86 106.331 9.386 11.699 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.380 9.204 11.618 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.525 10.682 12.011 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.296 7.123 11.975 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.484 7.284 10.400 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.259 7.353 10.496 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.130 9.445 14.074 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.361 9.525 13.891 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.230 8.024 13.492 1.00 0.00 H new ATOM 1311 N ILE A 87 106.552 8.506 7.932 1.00 0.00 N ATOM 1312 CA ILE A 87 105.525 7.927 7.012 1.00 0.00 C ATOM 1313 C ILE A 87 105.633 6.399 7.031 1.00 0.00 C ATOM 1314 O ILE A 87 106.670 5.847 6.722 1.00 0.00 O ATOM 1315 CB ILE A 87 105.784 8.422 5.584 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.718 9.953 5.541 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.736 7.834 4.637 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.369 10.435 6.082 1.00 0.00 C ATOM 0 H ILE A 87 107.516 8.252 7.715 1.00 0.00 H new ATOM 0 HA ILE A 87 104.532 8.235 7.338 1.00 0.00 H new ATOM 0 HB ILE A 87 106.777 8.099 5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.529 10.377 6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 87 105.854 10.302 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 87 104.923 8.188 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.796 6.746 4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.742 8.149 4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.331 11.524 6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.565 10.025 5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.250 10.100 7.112 1.00 0.00 H new ATOM 1330 N MET A 88 104.577 5.709 7.393 1.00 0.00 N ATOM 1331 CA MET A 88 104.641 4.212 7.427 1.00 0.00 C ATOM 1332 C MET A 88 103.538 3.626 6.542 1.00 0.00 C ATOM 1333 O MET A 88 102.372 3.654 6.888 1.00 0.00 O ATOM 1334 CB MET A 88 104.454 3.722 8.867 1.00 0.00 C ATOM 1335 CG MET A 88 105.472 4.411 9.778 1.00 0.00 C ATOM 1336 SD MET A 88 105.229 3.861 11.487 1.00 0.00 S ATOM 1337 CE MET A 88 106.004 2.234 11.322 1.00 0.00 C ATOM 0 H MET A 88 103.681 6.113 7.664 1.00 0.00 H new ATOM 0 HA MET A 88 105.613 3.887 7.055 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.441 3.938 9.207 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.582 2.641 8.914 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.485 4.177 9.451 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.358 5.493 9.714 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.397 1.918 12.289 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.264 1.512 10.978 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.819 2.291 10.600 1.00 0.00 H new ATOM 1347 N ASP A 89 103.899 3.084 5.407 1.00 0.00 N ATOM 1348 CA ASP A 89 102.877 2.477 4.497 1.00 0.00 C ATOM 1349 C ASP A 89 103.091 0.961 4.444 1.00 0.00 C ATOM 1350 O ASP A 89 103.974 0.470 3.763 1.00 0.00 O ATOM 1351 CB ASP A 89 103.031 3.067 3.095 1.00 0.00 C ATOM 1352 CG ASP A 89 101.827 2.674 2.239 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.041 1.860 2.695 1.00 0.00 O ATOM 1354 OD2 ASP A 89 101.708 3.199 1.145 1.00 0.00 O ATOM 0 H ASP A 89 104.860 3.035 5.069 1.00 0.00 H new ATOM 0 HA ASP A 89 101.876 2.692 4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 89 103.110 4.153 3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 89 103.951 2.704 2.636 1.00 0.00 H new ATOM 1359 N HIS A 90 102.298 0.209 5.158 1.00 0.00 N ATOM 1360 CA HIS A 90 102.463 -1.272 5.153 1.00 0.00 C ATOM 1361 C HIS A 90 102.012 -1.862 3.811 1.00 0.00 C ATOM 1362 O HIS A 90 102.591 -2.808 3.317 1.00 0.00 O ATOM 1363 CB HIS A 90 101.634 -1.880 6.284 1.00 0.00 C ATOM 1364 CG HIS A 90 102.272 -1.542 7.605 1.00 0.00 C ATOM 1365 ND1 HIS A 90 102.057 -0.326 8.240 1.00 0.00 N ATOM 1366 CD2 HIS A 90 103.120 -2.248 8.422 1.00 0.00 C ATOM 1367 CE1 HIS A 90 102.763 -0.338 9.387 1.00 0.00 C ATOM 1368 NE2 HIS A 90 103.426 -1.485 9.543 1.00 0.00 N ATOM 0 H HIS A 90 101.541 0.558 5.746 1.00 0.00 H new ATOM 0 HA HIS A 90 103.517 -1.507 5.300 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.615 -1.496 6.250 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.571 -2.961 6.164 1.00 0.00 H new ATOM 0 HD2 HIS A 90 103.492 -3.242 8.224 1.00 0.00 H new ATOM 0 HE1 HIS A 90 102.789 0.479 10.093 1.00 0.00 H new ATOM 0 HE2 HIS A 90 104.031 -1.747 10.322 1.00 0.00 H new ATOM 1377 N TYR A 91 100.980 -1.323 3.222 1.00 0.00 N ATOM 1378 CA TYR A 91 100.503 -1.873 1.919 1.00 0.00 C ATOM 1379 C TYR A 91 101.616 -1.757 0.876 1.00 0.00 C ATOM 1380 O TYR A 91 101.894 -2.690 0.149 1.00 0.00 O ATOM 1381 CB TYR A 91 99.275 -1.094 1.445 1.00 0.00 C ATOM 1382 CG TYR A 91 98.860 -1.601 0.084 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.158 -2.807 -0.031 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.181 -0.866 -1.062 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.777 -3.277 -1.293 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.799 -1.336 -2.325 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.097 -2.542 -2.440 1.00 0.00 C ATOM 1388 OH TYR A 91 97.723 -3.005 -3.685 1.00 0.00 O ATOM 0 H TYR A 91 100.449 -0.531 3.583 1.00 0.00 H new ATOM 0 HA TYR A 91 100.234 -2.921 2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.457 -1.213 2.156 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.502 -0.029 1.396 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.911 -3.374 0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.723 0.064 -0.973 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.236 -4.207 -1.382 1.00 0.00 H new ATOM 0 HE2 TYR A 91 99.046 -0.768 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 91 98.023 -2.374 -4.372 1.00 0.00 H new ATOM 1398 N ASN A 92 102.261 -0.624 0.800 1.00 0.00 N ATOM 1399 CA ASN A 92 103.358 -0.463 -0.195 1.00 0.00 C ATOM 1400 C ASN A 92 104.673 -0.936 0.428 1.00 0.00 C ATOM 1401 O ASN A 92 105.693 -1.009 -0.229 1.00 0.00 O ATOM 1402 CB ASN A 92 103.474 1.010 -0.597 1.00 0.00 C ATOM 1403 CG ASN A 92 102.338 1.368 -1.557 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.808 0.512 -2.234 1.00 0.00 O ATOM 1405 ND2 ASN A 92 101.938 2.608 -1.640 1.00 0.00 N ATOM 0 H ASN A 92 102.076 0.193 1.382 1.00 0.00 H new ATOM 0 HA ASN A 92 103.141 -1.058 -1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.430 1.644 0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.438 1.193 -1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.179 2.858 -2.274 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.384 3.327 -1.070 1.00 0.00 H new ATOM 1412 N ASN A 93 104.647 -1.278 1.689 1.00 0.00 N ATOM 1413 CA ASN A 93 105.883 -1.773 2.354 1.00 0.00 C ATOM 1414 C ASN A 93 107.020 -0.767 2.178 1.00 0.00 C ATOM 1415 O ASN A 93 108.125 -1.127 1.821 1.00 0.00 O ATOM 1416 CB ASN A 93 106.286 -3.118 1.741 1.00 0.00 C ATOM 1417 CG ASN A 93 105.305 -4.203 2.195 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.592 -4.027 3.164 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.241 -5.327 1.534 1.00 0.00 N ATOM 0 H ASN A 93 103.821 -1.235 2.286 1.00 0.00 H new ATOM 0 HA ASN A 93 105.688 -1.898 3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.288 -3.047 0.653 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.299 -3.379 2.046 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.593 -6.057 1.831 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.839 -5.475 0.721 1.00 0.00 H new ATOM 1426 N THR A 94 106.768 0.495 2.426 1.00 0.00 N ATOM 1427 CA THR A 94 107.844 1.519 2.275 1.00 0.00 C ATOM 1428 C THR A 94 107.855 2.429 3.508 1.00 0.00 C ATOM 1429 O THR A 94 106.820 2.819 4.012 1.00 0.00 O ATOM 1430 CB THR A 94 107.589 2.356 1.020 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.493 3.448 0.992 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.153 2.877 1.036 1.00 0.00 C ATOM 0 H THR A 94 105.864 0.859 2.726 1.00 0.00 H new ATOM 0 HA THR A 94 108.809 1.020 2.181 1.00 0.00 H new ATOM 0 HB THR A 94 107.737 1.739 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.182 4.146 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 94 105.972 3.473 0.142 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.461 2.035 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 94 106.000 3.495 1.921 1.00 0.00 H new ATOM 1440 N PHE A 95 109.023 2.758 4.001 1.00 0.00 N ATOM 1441 CA PHE A 95 109.101 3.634 5.212 1.00 0.00 C ATOM 1442 C PHE A 95 110.004 4.837 4.925 1.00 0.00 C ATOM 1443 O PHE A 95 111.045 4.710 4.311 1.00 0.00 O ATOM 1444 CB PHE A 95 109.686 2.827 6.372 1.00 0.00 C ATOM 1445 CG PHE A 95 108.769 1.669 6.691 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.861 0.483 5.953 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.833 1.778 7.725 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.013 -0.593 6.247 1.00 0.00 C ATOM 1449 CE2 PHE A 95 106.986 0.705 8.019 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.076 -0.482 7.280 1.00 0.00 C ATOM 0 H PHE A 95 109.921 2.460 3.621 1.00 0.00 H new ATOM 0 HA PHE A 95 108.103 3.989 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.678 2.458 6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.805 3.463 7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.586 0.397 5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.765 2.692 8.297 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.083 -1.507 5.677 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.262 0.791 8.816 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.422 -1.311 7.508 1.00 0.00 H new ATOM 1460 N TYR A 96 109.621 6.009 5.376 1.00 0.00 N ATOM 1461 CA TYR A 96 110.461 7.221 5.136 1.00 0.00 C ATOM 1462 C TYR A 96 110.556 8.037 6.430 1.00 0.00 C ATOM 1463 O TYR A 96 109.618 8.105 7.202 1.00 0.00 O ATOM 1464 CB TYR A 96 109.808 8.103 4.064 1.00 0.00 C ATOM 1465 CG TYR A 96 109.599 7.322 2.788 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.604 7.280 1.818 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.388 6.653 2.573 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.402 6.566 0.630 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.185 5.941 1.386 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.191 5.897 0.414 1.00 0.00 C ATOM 1471 OH TYR A 96 108.990 5.196 -0.757 1.00 0.00 O ATOM 0 H TYR A 96 108.762 6.176 5.900 1.00 0.00 H new ATOM 0 HA TYR A 96 111.451 6.904 4.809 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.852 8.479 4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.437 8.971 3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.537 7.798 1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.611 6.687 3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.180 6.531 -0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.251 5.425 1.220 1.00 0.00 H new ATOM 0 HH TYR A 96 108.775 4.263 -0.547 1.00 0.00 H new ATOM 1481 N SER A 97 111.671 8.676 6.665 1.00 0.00 N ATOM 1482 CA SER A 97 111.813 9.506 7.896 1.00 0.00 C ATOM 1483 C SER A 97 112.833 10.619 7.632 1.00 0.00 C ATOM 1484 O SER A 97 113.690 10.500 6.769 1.00 0.00 O ATOM 1485 CB SER A 97 112.291 8.636 9.061 1.00 0.00 C ATOM 1486 OG SER A 97 113.462 7.933 8.677 1.00 0.00 O ATOM 0 H SER A 97 112.490 8.659 6.057 1.00 0.00 H new ATOM 0 HA SER A 97 110.848 9.942 8.155 1.00 0.00 H new ATOM 0 HB2 SER A 97 112.496 9.258 9.933 1.00 0.00 H new ATOM 0 HB3 SER A 97 111.509 7.933 9.348 1.00 0.00 H new ATOM 0 HG SER A 97 113.769 7.377 9.423 1.00 0.00 H new ATOM 1492 N ARG A 98 112.749 11.704 8.362 1.00 0.00 N ATOM 1493 CA ARG A 98 113.712 12.826 8.143 1.00 0.00 C ATOM 1494 C ARG A 98 114.745 12.848 9.277 1.00 0.00 C ATOM 1495 O ARG A 98 114.414 12.691 10.436 1.00 0.00 O ATOM 1496 CB ARG A 98 112.951 14.158 8.123 1.00 0.00 C ATOM 1497 CG ARG A 98 111.936 14.161 6.975 1.00 0.00 C ATOM 1498 CD ARG A 98 111.230 15.515 6.922 1.00 0.00 C ATOM 1499 NE ARG A 98 110.089 15.442 5.952 1.00 0.00 N ATOM 1500 CZ ARG A 98 110.284 15.143 4.697 1.00 0.00 C ATOM 1501 NH1 ARG A 98 111.497 15.059 4.222 1.00 0.00 N ATOM 1502 NH2 ARG A 98 109.262 14.964 3.906 1.00 0.00 N ATOM 0 H ARG A 98 112.059 11.860 9.096 1.00 0.00 H new ATOM 0 HA ARG A 98 114.222 12.682 7.190 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.439 14.309 9.073 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.651 14.985 8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.441 13.965 6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 98 111.206 13.364 7.118 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.864 15.786 7.912 1.00 0.00 H new ATOM 0 HD3 ARG A 98 111.931 16.292 6.618 1.00 0.00 H new ATOM 0 HE ARG A 98 109.142 15.630 6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 98 112.297 15.227 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 98 111.645 14.825 3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 98 108.313 15.058 4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 98 109.412 14.730 2.924 1.00 0.00 H new ATOM 1516 N LEU A 99 115.992 13.039 8.945 1.00 0.00 N ATOM 1517 CA LEU A 99 117.055 13.073 9.986 1.00 0.00 C ATOM 1518 C LEU A 99 117.275 14.518 10.454 1.00 0.00 C ATOM 1519 O LEU A 99 117.315 15.425 9.646 1.00 0.00 O ATOM 1520 CB LEU A 99 118.365 12.553 9.397 1.00 0.00 C ATOM 1521 CG LEU A 99 118.260 11.058 9.093 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.584 10.570 8.487 1.00 0.00 C ATOM 1523 CD2 LEU A 99 117.980 10.286 10.388 1.00 0.00 C ATOM 0 H LEU A 99 116.322 13.174 7.989 1.00 0.00 H new ATOM 0 HA LEU A 99 116.746 12.450 10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.603 13.100 8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.181 12.731 10.097 1.00 0.00 H new ATOM 0 HG LEU A 99 117.447 10.888 8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.513 9.504 8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.786 11.116 7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.394 10.742 9.196 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.906 9.221 10.168 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.792 10.455 11.095 1.00 0.00 H new ATOM 0 HD23 LEU A 99 117.043 10.633 10.823 1.00 0.00 H new ATOM 1535 N PRO A 100 117.445 14.742 11.736 1.00 0.00 N ATOM 1536 CA PRO A 100 117.693 16.108 12.267 1.00 0.00 C ATOM 1537 C PRO A 100 118.742 16.846 11.434 1.00 0.00 C ATOM 1538 O PRO A 100 119.320 16.291 10.521 1.00 0.00 O ATOM 1539 CB PRO A 100 118.211 15.861 13.683 1.00 0.00 C ATOM 1540 CG PRO A 100 117.632 14.549 14.092 1.00 0.00 C ATOM 1541 CD PRO A 100 117.418 13.738 12.815 1.00 0.00 C ATOM 0 HA PRO A 100 116.799 16.731 12.241 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.300 15.833 13.704 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.899 16.656 14.360 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.304 14.026 14.773 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.690 14.691 14.621 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.201 12.991 12.683 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.468 13.204 12.838 1.00 0.00 H new ATOM 1549 N SER A 101 118.992 18.088 11.731 1.00 0.00 N ATOM 1550 CA SER A 101 120.003 18.845 10.944 1.00 0.00 C ATOM 1551 C SER A 101 121.405 18.563 11.491 1.00 0.00 C ATOM 1552 O SER A 101 122.399 18.894 10.875 1.00 0.00 O ATOM 1553 CB SER A 101 119.710 20.342 11.042 1.00 0.00 C ATOM 1554 OG SER A 101 118.452 20.613 10.439 1.00 0.00 O ATOM 0 H SER A 101 118.542 18.611 12.482 1.00 0.00 H new ATOM 0 HA SER A 101 119.954 18.531 9.901 1.00 0.00 H new ATOM 0 HB2 SER A 101 119.701 20.655 12.086 1.00 0.00 H new ATOM 0 HB3 SER A 101 120.495 20.912 10.545 1.00 0.00 H new ATOM 0 HG SER A 101 118.259 21.572 10.501 1.00 0.00 H new ATOM 1560 N LEU A 102 121.496 17.966 12.651 1.00 0.00 N ATOM 1561 CA LEU A 102 122.837 17.680 13.245 1.00 0.00 C ATOM 1562 C LEU A 102 122.892 16.247 13.780 1.00 0.00 C ATOM 1563 O LEU A 102 122.033 15.818 14.523 1.00 0.00 O ATOM 1564 CB LEU A 102 123.088 18.662 14.390 1.00 0.00 C ATOM 1565 CG LEU A 102 124.436 18.365 15.048 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.549 18.438 14.001 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.701 19.401 16.143 1.00 0.00 C ATOM 0 H LEU A 102 120.700 17.664 13.213 1.00 0.00 H new ATOM 0 HA LEU A 102 123.602 17.793 12.476 1.00 0.00 H new ATOM 0 HB2 LEU A 102 123.076 19.684 14.012 1.00 0.00 H new ATOM 0 HB3 LEU A 102 122.289 18.585 15.128 1.00 0.00 H new ATOM 0 HG LEU A 102 124.415 17.365 15.482 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.508 18.226 14.474 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.360 17.704 13.218 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.573 19.436 13.564 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.661 19.194 16.615 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.721 20.398 15.703 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.910 19.350 16.891 1.00 0.00 H new ATOM 1579 N ILE A 103 123.909 15.508 13.418 1.00 0.00 N ATOM 1580 CA ILE A 103 124.046 14.106 13.913 1.00 0.00 C ATOM 1581 C ILE A 103 125.533 13.778 14.060 1.00 0.00 C ATOM 1582 O ILE A 103 126.217 13.522 13.089 1.00 0.00 O ATOM 1583 CB ILE A 103 123.404 13.129 12.923 1.00 0.00 C ATOM 1584 CG1 ILE A 103 121.886 13.322 12.915 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.730 11.691 13.339 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.271 12.496 11.785 1.00 0.00 C ATOM 0 H ILE A 103 124.656 15.818 12.796 1.00 0.00 H new ATOM 0 HA ILE A 103 123.543 14.011 14.875 1.00 0.00 H new ATOM 0 HB ILE A 103 123.798 13.320 11.925 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.465 13.017 13.873 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.644 14.376 12.782 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.273 10.996 12.635 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.811 11.549 13.340 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.338 11.504 14.339 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.190 12.634 11.780 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.683 12.822 10.830 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.501 11.442 11.938 1.00 0.00 H new ATOM 1598 N SER A 104 126.046 13.791 15.262 1.00 0.00 N ATOM 1599 CA SER A 104 127.495 13.488 15.460 1.00 0.00 C ATOM 1600 C SER A 104 127.657 12.071 16.019 1.00 0.00 C ATOM 1601 O SER A 104 128.755 11.567 16.145 1.00 0.00 O ATOM 1602 CB SER A 104 128.092 14.495 16.443 1.00 0.00 C ATOM 1603 OG SER A 104 127.957 15.806 15.912 1.00 0.00 O ATOM 0 H SER A 104 125.526 13.998 16.114 1.00 0.00 H new ATOM 0 HA SER A 104 128.013 13.557 14.503 1.00 0.00 H new ATOM 0 HB2 SER A 104 127.585 14.426 17.405 1.00 0.00 H new ATOM 0 HB3 SER A 104 129.143 14.268 16.620 1.00 0.00 H new ATOM 0 HG SER A 104 128.337 16.454 16.541 1.00 0.00 H new ATOM 1609 N ASP A 105 126.575 11.428 16.359 1.00 0.00 N ATOM 1610 CA ASP A 105 126.670 10.049 16.913 1.00 0.00 C ATOM 1611 C ASP A 105 126.897 9.043 15.780 1.00 0.00 C ATOM 1612 O ASP A 105 126.484 9.251 14.657 1.00 0.00 O ATOM 1613 CB ASP A 105 125.376 9.707 17.653 1.00 0.00 C ATOM 1614 CG ASP A 105 125.386 10.357 19.037 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.405 10.921 19.398 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.372 10.278 19.712 1.00 0.00 O ATOM 0 H ASP A 105 125.628 11.798 16.277 1.00 0.00 H new ATOM 0 HA ASP A 105 127.510 9.998 17.605 1.00 0.00 H new ATOM 0 HB2 ASP A 105 124.516 10.057 17.082 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.276 8.626 17.749 1.00 0.00 H new ATOM 1621 N ASN A 106 127.544 7.950 16.074 1.00 0.00 N ATOM 1622 CA ASN A 106 127.800 6.915 15.030 1.00 0.00 C ATOM 1623 C ASN A 106 126.779 5.784 15.181 1.00 0.00 C ATOM 1624 O ASN A 106 127.069 4.635 14.921 1.00 0.00 O ATOM 1625 CB ASN A 106 129.209 6.344 15.204 1.00 0.00 C ATOM 1626 CG ASN A 106 130.247 7.390 14.794 1.00 0.00 C ATOM 1627 OD1 ASN A 106 129.934 8.339 14.102 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.483 7.252 15.193 1.00 0.00 N ATOM 0 H ASN A 106 127.910 7.726 17.000 1.00 0.00 H new ATOM 0 HA ASN A 106 127.711 7.368 14.043 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.366 6.050 16.242 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.325 5.446 14.597 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.186 7.941 14.924 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.746 6.456 15.774 1.00 0.00 H new ATOM 1635 N TRP A 107 125.593 6.096 15.622 1.00 0.00 N ATOM 1636 CA TRP A 107 124.567 5.032 15.819 1.00 0.00 C ATOM 1637 C TRP A 107 124.178 4.409 14.477 1.00 0.00 C ATOM 1638 O TRP A 107 124.388 4.979 13.424 1.00 0.00 O ATOM 1639 CB TRP A 107 123.320 5.635 16.478 1.00 0.00 C ATOM 1640 CG TRP A 107 122.733 6.693 15.593 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.267 7.916 15.385 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.504 6.648 14.811 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.455 8.624 14.523 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.353 7.886 14.140 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.519 5.664 14.618 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.264 8.137 13.309 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.420 5.917 13.781 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.293 7.150 13.128 1.00 0.00 C ATOM 0 H TRP A 107 125.289 7.041 15.855 1.00 0.00 H new ATOM 0 HA TRP A 107 124.987 4.258 16.461 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.583 4.854 16.663 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.581 6.063 17.446 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.184 8.282 15.824 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.645 9.575 14.208 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.608 4.709 15.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.171 9.089 12.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.667 5.156 13.640 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.445 7.337 12.486 1.00 0.00 H new ATOM 1659 N LYS A 108 123.620 3.230 14.520 1.00 0.00 N ATOM 1660 CA LYS A 108 123.213 2.533 13.268 1.00 0.00 C ATOM 1661 C LYS A 108 121.896 1.798 13.517 1.00 0.00 C ATOM 1662 O LYS A 108 121.565 1.470 14.639 1.00 0.00 O ATOM 1663 CB LYS A 108 124.296 1.525 12.873 1.00 0.00 C ATOM 1664 CG LYS A 108 124.367 0.407 13.918 1.00 0.00 C ATOM 1665 CD LYS A 108 125.514 -0.547 13.577 1.00 0.00 C ATOM 1666 CE LYS A 108 125.135 -1.401 12.364 1.00 0.00 C ATOM 1667 NZ LYS A 108 126.081 -2.546 12.248 1.00 0.00 N ATOM 0 H LYS A 108 123.427 2.715 15.379 1.00 0.00 H new ATOM 0 HA LYS A 108 123.085 3.257 12.464 1.00 0.00 H new ATOM 0 HB2 LYS A 108 124.075 1.105 11.892 1.00 0.00 H new ATOM 0 HB3 LYS A 108 125.261 2.025 12.796 1.00 0.00 H new ATOM 0 HG2 LYS A 108 124.518 0.833 14.910 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.424 -0.138 13.946 1.00 0.00 H new ATOM 0 HD2 LYS A 108 126.420 0.020 13.365 1.00 0.00 H new ATOM 0 HD3 LYS A 108 125.732 -1.188 14.431 1.00 0.00 H new ATOM 0 HE2 LYS A 108 124.114 -1.768 12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 108 125.165 -0.797 11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 125.824 -3.126 11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 127.049 -2.186 12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 126.031 -3.126 13.110 1.00 0.00 H new ATOM 1681 N PHE A 109 121.146 1.520 12.484 1.00 0.00 N ATOM 1682 CA PHE A 109 119.859 0.789 12.681 1.00 0.00 C ATOM 1683 C PHE A 109 119.517 0.040 11.389 1.00 0.00 C ATOM 1684 O PHE A 109 120.012 0.371 10.328 1.00 0.00 O ATOM 1685 CB PHE A 109 118.747 1.784 13.030 1.00 0.00 C ATOM 1686 CG PHE A 109 118.378 2.601 11.816 1.00 0.00 C ATOM 1687 CD1 PHE A 109 119.106 3.750 11.494 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.295 2.211 11.018 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.754 4.510 10.373 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.942 2.970 9.897 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.671 4.120 9.575 1.00 0.00 C ATOM 0 H PHE A 109 121.366 1.765 11.519 1.00 0.00 H new ATOM 0 HA PHE A 109 119.954 0.077 13.500 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.871 1.248 13.396 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.077 2.442 13.834 1.00 0.00 H new ATOM 0 HD1 PHE A 109 119.940 4.051 12.110 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.732 1.324 11.268 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.317 5.397 10.123 1.00 0.00 H new ATOM 0 HE2 PHE A 109 116.108 2.669 9.281 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.398 4.707 8.711 1.00 0.00 H new ATOM 1701 N PHE A 110 118.696 -0.975 11.457 1.00 0.00 N ATOM 1702 CA PHE A 110 118.369 -1.731 10.214 1.00 0.00 C ATOM 1703 C PHE A 110 116.965 -2.346 10.270 1.00 0.00 C ATOM 1704 O PHE A 110 116.426 -2.614 11.324 1.00 0.00 O ATOM 1705 CB PHE A 110 119.407 -2.843 10.031 1.00 0.00 C ATOM 1706 CG PHE A 110 119.536 -3.633 11.312 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.327 -3.140 12.357 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.873 -4.857 11.455 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.454 -3.870 13.544 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.002 -5.586 12.644 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.792 -5.094 13.687 1.00 0.00 C ATOM 0 H PHE A 110 118.243 -1.309 12.308 1.00 0.00 H new ATOM 0 HA PHE A 110 118.390 -1.037 9.374 1.00 0.00 H new ATOM 0 HB2 PHE A 110 119.109 -3.501 9.215 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.371 -2.413 9.759 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.839 -2.196 12.247 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.263 -5.239 10.650 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.063 -3.488 14.350 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.490 -6.530 12.755 1.00 0.00 H new ATOM 0 HZ PHE A 110 119.891 -5.658 14.602 1.00 0.00 H new ATOM 1721 N CYS A 111 116.399 -2.600 9.119 1.00 0.00 N ATOM 1722 CA CYS A 111 115.047 -3.231 9.041 1.00 0.00 C ATOM 1723 C CYS A 111 115.185 -4.527 8.240 1.00 0.00 C ATOM 1724 O CYS A 111 116.114 -4.681 7.475 1.00 0.00 O ATOM 1725 CB CYS A 111 114.068 -2.284 8.342 1.00 0.00 C ATOM 1726 SG CYS A 111 113.817 -0.810 9.367 1.00 0.00 S ATOM 0 H CYS A 111 116.823 -2.393 8.215 1.00 0.00 H new ATOM 0 HA CYS A 111 114.664 -3.440 10.040 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.457 -1.998 7.365 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.117 -2.788 8.172 1.00 0.00 H new ATOM 1731 N VAL A 112 114.301 -5.475 8.419 1.00 0.00 N ATOM 1732 CA VAL A 112 114.445 -6.767 7.674 1.00 0.00 C ATOM 1733 C VAL A 112 113.161 -7.142 6.929 1.00 0.00 C ATOM 1734 O VAL A 112 112.067 -7.042 7.447 1.00 0.00 O ATOM 1735 CB VAL A 112 114.792 -7.877 8.663 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.669 -9.235 7.969 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.227 -7.687 9.159 1.00 0.00 C ATOM 0 H VAL A 112 113.494 -5.415 9.040 1.00 0.00 H new ATOM 0 HA VAL A 112 115.238 -6.644 6.936 1.00 0.00 H new ATOM 0 HB VAL A 112 114.106 -7.837 9.509 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.917 -10.028 8.675 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.647 -9.371 7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.355 -9.275 7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.476 -8.479 9.865 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.913 -7.727 8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.316 -6.719 9.653 1.00 0.00 H new ATOM 1747 N CYS A 113 113.311 -7.625 5.720 1.00 0.00 N ATOM 1748 CA CYS A 113 112.145 -8.081 4.911 1.00 0.00 C ATOM 1749 C CYS A 113 112.411 -9.543 4.530 1.00 0.00 C ATOM 1750 O CYS A 113 113.495 -9.881 4.098 1.00 0.00 O ATOM 1751 CB CYS A 113 112.030 -7.239 3.640 1.00 0.00 C ATOM 1752 SG CYS A 113 111.442 -5.576 4.050 1.00 0.00 S ATOM 0 H CYS A 113 114.213 -7.723 5.253 1.00 0.00 H new ATOM 0 HA CYS A 113 111.218 -7.980 5.476 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.999 -7.179 3.145 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.343 -7.714 2.940 1.00 0.00 H new ATOM 1757 N SER A 114 111.467 -10.432 4.703 1.00 0.00 N ATOM 1758 CA SER A 114 111.758 -11.854 4.358 1.00 0.00 C ATOM 1759 C SER A 114 110.476 -12.690 4.277 1.00 0.00 C ATOM 1760 O SER A 114 109.397 -12.258 4.643 1.00 0.00 O ATOM 1761 CB SER A 114 112.658 -12.448 5.438 1.00 0.00 C ATOM 1762 OG SER A 114 111.953 -12.464 6.672 1.00 0.00 O ATOM 0 H SER A 114 110.530 -10.242 5.059 1.00 0.00 H new ATOM 0 HA SER A 114 112.244 -11.874 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.959 -13.459 5.163 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.570 -11.859 5.533 1.00 0.00 H new ATOM 0 HG SER A 114 112.525 -12.846 7.370 1.00 0.00 H new ATOM 1768 N LYS A 115 110.616 -13.906 3.812 1.00 0.00 N ATOM 1769 CA LYS A 115 109.459 -14.841 3.716 1.00 0.00 C ATOM 1770 C LYS A 115 109.927 -16.215 4.206 1.00 0.00 C ATOM 1771 O LYS A 115 111.105 -16.512 4.199 1.00 0.00 O ATOM 1772 CB LYS A 115 108.991 -14.977 2.263 1.00 0.00 C ATOM 1773 CG LYS A 115 108.376 -13.665 1.780 1.00 0.00 C ATOM 1774 CD LYS A 115 107.999 -13.798 0.299 1.00 0.00 C ATOM 1775 CE LYS A 115 106.629 -14.469 0.167 1.00 0.00 C ATOM 1776 NZ LYS A 115 106.139 -14.334 -1.234 1.00 0.00 N ATOM 0 H LYS A 115 111.502 -14.295 3.489 1.00 0.00 H new ATOM 0 HA LYS A 115 108.633 -14.460 4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 115 109.833 -15.248 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 115 108.259 -15.781 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 115 107.493 -13.424 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 115 109.083 -12.847 1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 115 107.978 -12.814 -0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 115 108.753 -14.385 -0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 115 106.701 -15.522 0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 115 105.920 -14.010 0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 105.496 -15.121 -1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 105.631 -13.432 -1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 106.947 -14.354 -1.888 1.00 0.00 H new ATOM 1790 N ASP A 116 109.027 -17.061 4.611 1.00 0.00 N ATOM 1791 CA ASP A 116 109.449 -18.416 5.073 1.00 0.00 C ATOM 1792 C ASP A 116 110.159 -19.135 3.916 1.00 0.00 C ATOM 1793 O ASP A 116 109.786 -18.988 2.767 1.00 0.00 O ATOM 1794 CB ASP A 116 108.218 -19.215 5.499 1.00 0.00 C ATOM 1795 CG ASP A 116 107.776 -18.765 6.894 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.561 -18.111 7.560 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.659 -19.079 7.271 1.00 0.00 O ATOM 0 H ASP A 116 108.024 -16.879 4.644 1.00 0.00 H new ATOM 0 HA ASP A 116 110.127 -18.326 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 116 107.409 -19.066 4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.447 -20.281 5.504 1.00 0.00 H new ATOM 1802 N ASN A 117 111.179 -19.901 4.209 1.00 0.00 N ATOM 1803 CA ASN A 117 111.914 -20.615 3.118 1.00 0.00 C ATOM 1804 C ASN A 117 112.264 -19.617 2.015 1.00 0.00 C ATOM 1805 O ASN A 117 111.840 -19.769 0.891 1.00 0.00 O ATOM 1806 CB ASN A 117 111.027 -21.718 2.539 1.00 0.00 C ATOM 1807 CG ASN A 117 111.842 -22.566 1.560 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.860 -22.128 1.061 1.00 0.00 O ATOM 1809 ND2 ASN A 117 111.434 -23.768 1.263 1.00 0.00 N ATOM 0 H ASN A 117 111.534 -20.063 5.151 1.00 0.00 H new ATOM 0 HA ASN A 117 112.825 -21.058 3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.636 -22.344 3.341 1.00 0.00 H new ATOM 0 HB3 ASN A 117 110.169 -21.280 2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.969 -24.342 0.611 1.00 0.00 H new ATOM 0 HD22 ASN A 117 110.580 -24.135 1.682 1.00 0.00 H new ATOM 1816 N GLU A 118 113.065 -18.617 2.311 1.00 0.00 N ATOM 1817 CA GLU A 118 113.434 -17.615 1.267 1.00 0.00 C ATOM 1818 C GLU A 118 114.633 -16.781 1.718 1.00 0.00 C ATOM 1819 O GLU A 118 114.824 -16.537 2.890 1.00 0.00 O ATOM 1820 CB GLU A 118 112.239 -16.665 1.042 1.00 0.00 C ATOM 1821 CG GLU A 118 111.128 -17.358 0.240 1.00 0.00 C ATOM 1822 CD GLU A 118 111.735 -17.989 -1.019 1.00 0.00 C ATOM 1823 OE1 GLU A 118 112.515 -17.313 -1.672 1.00 0.00 O ATOM 1824 OE2 GLU A 118 111.437 -19.140 -1.291 1.00 0.00 O ATOM 0 H GLU A 118 113.476 -18.455 3.230 1.00 0.00 H new ATOM 0 HA GLU A 118 113.690 -18.145 0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.846 -16.335 2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 118 112.573 -15.774 0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 118 110.646 -18.123 0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 118 110.358 -16.638 -0.035 1.00 0.00 H new ATOM 1831 N LYS A 119 115.439 -16.328 0.789 1.00 0.00 N ATOM 1832 CA LYS A 119 116.621 -15.496 1.163 1.00 0.00 C ATOM 1833 C LYS A 119 116.145 -14.298 1.991 1.00 0.00 C ATOM 1834 O LYS A 119 115.148 -13.677 1.679 1.00 0.00 O ATOM 1835 CB LYS A 119 117.312 -14.995 -0.109 1.00 0.00 C ATOM 1836 CG LYS A 119 118.091 -16.140 -0.762 1.00 0.00 C ATOM 1837 CD LYS A 119 118.649 -15.672 -2.110 1.00 0.00 C ATOM 1838 CE LYS A 119 119.669 -14.549 -1.889 1.00 0.00 C ATOM 1839 NZ LYS A 119 119.019 -13.233 -2.149 1.00 0.00 N ATOM 0 H LYS A 119 115.328 -16.499 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 119 117.324 -16.091 1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.571 -14.603 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.988 -14.175 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 119 118.904 -16.459 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 119 117.440 -17.002 -0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 119 119.120 -16.507 -2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 119 117.838 -15.319 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 119 120.050 -14.584 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 119 120.523 -14.683 -2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 119.643 -12.649 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 118.115 -13.383 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 118.845 -12.747 -1.246 1.00 0.00 H new ATOM 1853 N LYS A 120 116.842 -13.973 3.050 1.00 0.00 N ATOM 1854 CA LYS A 120 116.412 -12.822 3.899 1.00 0.00 C ATOM 1855 C LYS A 120 117.027 -11.518 3.379 1.00 0.00 C ATOM 1856 O LYS A 120 118.173 -11.476 2.975 1.00 0.00 O ATOM 1857 CB LYS A 120 116.848 -13.063 5.349 1.00 0.00 C ATOM 1858 CG LYS A 120 118.375 -13.106 5.437 1.00 0.00 C ATOM 1859 CD LYS A 120 118.802 -13.279 6.897 1.00 0.00 C ATOM 1860 CE LYS A 120 118.580 -14.729 7.333 1.00 0.00 C ATOM 1861 NZ LYS A 120 119.293 -14.976 8.618 1.00 0.00 N ATOM 0 H LYS A 120 117.686 -14.453 3.362 1.00 0.00 H new ATOM 0 HA LYS A 120 115.326 -12.736 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.461 -12.271 5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 120 116.428 -14.001 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 120 118.761 -13.929 4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.799 -12.188 5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 120 119.852 -13.012 7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 120 118.230 -12.606 7.535 1.00 0.00 H new ATOM 0 HE2 LYS A 120 117.514 -14.925 7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 120 118.945 -15.411 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 119.142 -15.961 8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 120.311 -14.805 8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 118.924 -14.334 9.349 1.00 0.00 H new ATOM 1875 N LEU A 121 116.269 -10.451 3.394 1.00 0.00 N ATOM 1876 CA LEU A 121 116.797 -9.141 2.911 1.00 0.00 C ATOM 1877 C LEU A 121 116.991 -8.205 4.109 1.00 0.00 C ATOM 1878 O LEU A 121 116.059 -7.929 4.838 1.00 0.00 O ATOM 1879 CB LEU A 121 115.786 -8.518 1.941 1.00 0.00 C ATOM 1880 CG LEU A 121 115.491 -9.498 0.802 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.403 -8.917 -0.103 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.762 -9.728 -0.018 1.00 0.00 C ATOM 0 H LEU A 121 115.303 -10.432 3.722 1.00 0.00 H new ATOM 0 HA LEU A 121 117.750 -9.291 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.865 -8.272 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.181 -7.586 1.538 1.00 0.00 H new ATOM 0 HG LEU A 121 115.151 -10.445 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.193 -9.615 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.496 -8.753 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.744 -7.969 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.551 -10.426 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.103 -8.780 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.539 -10.142 0.624 1.00 0.00 H new ATOM 1894 N VAL A 122 118.186 -7.717 4.326 1.00 0.00 N ATOM 1895 CA VAL A 122 118.424 -6.807 5.491 1.00 0.00 C ATOM 1896 C VAL A 122 118.712 -5.381 5.008 1.00 0.00 C ATOM 1897 O VAL A 122 119.535 -5.155 4.146 1.00 0.00 O ATOM 1898 CB VAL A 122 119.621 -7.317 6.298 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.050 -6.245 7.304 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.231 -8.600 7.051 1.00 0.00 C ATOM 0 H VAL A 122 119.006 -7.908 3.750 1.00 0.00 H new ATOM 0 HA VAL A 122 117.530 -6.795 6.115 1.00 0.00 H new ATOM 0 HB VAL A 122 120.447 -7.534 5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.902 -6.606 7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.331 -5.337 6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.222 -6.027 7.979 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.086 -8.960 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.404 -8.387 7.728 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.927 -9.364 6.335 1.00 0.00 H new ATOM 1910 N PHE A 123 118.045 -4.420 5.584 1.00 0.00 N ATOM 1911 CA PHE A 123 118.273 -2.996 5.201 1.00 0.00 C ATOM 1912 C PHE A 123 119.029 -2.317 6.343 1.00 0.00 C ATOM 1913 O PHE A 123 118.540 -2.258 7.445 1.00 0.00 O ATOM 1914 CB PHE A 123 116.913 -2.318 4.994 1.00 0.00 C ATOM 1915 CG PHE A 123 117.083 -0.820 4.931 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.742 -0.238 3.846 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.568 -0.013 5.952 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.890 1.150 3.780 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.715 1.378 5.888 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.377 1.960 4.801 1.00 0.00 C ATOM 0 H PHE A 123 117.344 -4.561 6.312 1.00 0.00 H new ATOM 0 HA PHE A 123 118.851 -2.924 4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.455 -2.679 4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.239 -2.581 5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.138 -0.861 3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.057 -0.464 6.790 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.401 1.599 2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.318 2.001 6.676 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.492 3.033 4.749 1.00 0.00 H new ATOM 1930 N THR A 124 120.221 -1.818 6.107 1.00 0.00 N ATOM 1931 CA THR A 124 120.982 -1.176 7.227 1.00 0.00 C ATOM 1932 C THR A 124 121.650 0.134 6.790 1.00 0.00 C ATOM 1933 O THR A 124 122.194 0.258 5.704 1.00 0.00 O ATOM 1934 CB THR A 124 122.051 -2.152 7.725 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.555 -1.696 8.972 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.191 -2.228 6.709 1.00 0.00 C ATOM 0 H THR A 124 120.693 -1.827 5.203 1.00 0.00 H new ATOM 0 HA THR A 124 120.277 -0.937 8.023 1.00 0.00 H new ATOM 0 HB THR A 124 121.613 -3.143 7.847 1.00 0.00 H new ATOM 0 HG1 THR A 124 123.239 -2.319 9.296 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.951 -2.923 7.066 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.803 -2.575 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.634 -1.240 6.584 1.00 0.00 H new ATOM 1944 N VAL A 125 121.641 1.105 7.669 1.00 0.00 N ATOM 1945 CA VAL A 125 122.293 2.412 7.374 1.00 0.00 C ATOM 1946 C VAL A 125 123.057 2.855 8.626 1.00 0.00 C ATOM 1947 O VAL A 125 122.788 2.385 9.722 1.00 0.00 O ATOM 1948 CB VAL A 125 121.232 3.454 7.007 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.209 2.829 6.052 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.517 3.932 8.273 1.00 0.00 C ATOM 0 H VAL A 125 121.204 1.044 8.588 1.00 0.00 H new ATOM 0 HA VAL A 125 122.978 2.312 6.532 1.00 0.00 H new ATOM 0 HB VAL A 125 121.715 4.302 6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.454 3.571 5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.715 2.492 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.730 1.979 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.763 4.673 8.007 1.00 0.00 H new ATOM 0 HG22 VAL A 125 120.036 3.084 8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.242 4.379 8.953 1.00 0.00 H new ATOM 1960 N GLU A 126 124.006 3.749 8.487 1.00 0.00 N ATOM 1961 CA GLU A 126 124.780 4.201 9.684 1.00 0.00 C ATOM 1962 C GLU A 126 124.794 5.730 9.760 1.00 0.00 C ATOM 1963 O GLU A 126 124.756 6.415 8.757 1.00 0.00 O ATOM 1964 CB GLU A 126 126.218 3.692 9.573 1.00 0.00 C ATOM 1965 CG GLU A 126 126.228 2.164 9.666 1.00 0.00 C ATOM 1966 CD GLU A 126 127.658 1.650 9.485 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.545 2.471 9.315 1.00 0.00 O ATOM 1968 OE2 GLU A 126 127.842 0.444 9.522 1.00 0.00 O ATOM 0 H GLU A 126 124.276 4.182 7.604 1.00 0.00 H new ATOM 0 HA GLU A 126 124.309 3.804 10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.656 4.012 8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.829 4.119 10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 126 125.835 1.845 10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 126 125.578 1.738 8.902 1.00 0.00 H new ATOM 1975 N ALA A 127 124.846 6.267 10.951 1.00 0.00 N ATOM 1976 CA ALA A 127 124.865 7.749 11.105 1.00 0.00 C ATOM 1977 C ALA A 127 125.654 8.118 12.363 1.00 0.00 C ATOM 1978 O ALA A 127 125.325 7.600 13.418 1.00 0.00 O ATOM 1979 CB ALA A 127 123.431 8.273 11.231 1.00 0.00 C ATOM 1980 OXT ALA A 127 126.573 8.910 12.250 1.00 0.00 O ATOM 0 H ALA A 127 124.876 5.741 11.824 1.00 0.00 H new ATOM 0 HA ALA A 127 125.338 8.198 10.231 1.00 0.00 H new ATOM 0 HB1 ALA A 127 123.448 9.357 11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 127 122.868 8.010 10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 127 122.955 7.825 12.104 1.00 0.00 H new