USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 640 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 21 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 23 HIS :FLIP no HE2:sc= -5! C(o=-10!,f=-5!) USER MOD Set 2.1: A 5 CYS SG : rot 114:sc= 1.92 USER MOD Set 2.2: A 10 CYS SG : rot -167:sc= -0.0736! USER MOD Set 2.3: A 12 ASN : amide:sc= 1.16 K(o=-3.4,f=-6.5!) USER MOD Set 2.4: A 54 CYS SG : rot -103:sc= -4.34! USER MOD Set 2.5: A 57 HIS : no HE2:sc= -2.03! C(o=-3.4!,f=-11!) USER MOD Single : A 6 SER OG : rot 94:sc= 0.0844 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -129:sc= 1.13 (180deg=0.324) USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= -0.0451 (180deg=-0.842!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 92:sc= 0.0507 USER MOD Single : A 33 CYS SG : rot -17:sc= -3.93! USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0219) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.69) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -0.019 (180deg=-0.633) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= 1.02 (180deg=-0.823) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -2:sc= -2.86! USER MOD Single : A 52 SER OG : rot 180:sc= 0.00935 USER MOD Single : A 55 SER OG : rot 100:sc= -1.4! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0977 USER MOD Single : A 62 SER OG : rot -130:sc= -2.82 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -132:sc= -1.77 USER MOD Single : A 68 ASN : amide:sc=-0.00964 X(o=-0.0096,f=-0.22) USER MOD Single : A 69 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.28) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -127:sc= 0 (180deg=-1.63!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0437 F(o=-0.93,f=-0.044) USER MOD Single : A 79 THR OG1 : rot -33:sc= 0.0388 USER MOD ----------------------------------------------------------------- ATOM 64 N CYS A 5 -8.627 1.386 -4.038 1.00 10.00 N ATOM 65 CA CYS A 5 -7.786 2.084 -3.076 1.00 10.00 C ATOM 66 C CYS A 5 -8.520 2.214 -1.740 1.00 10.00 C ATOM 67 O CYS A 5 -9.719 1.960 -1.666 1.00 10.00 O ATOM 68 CB CYS A 5 -7.425 3.476 -3.604 1.00 10.00 C ATOM 69 SG CYS A 5 -7.409 3.596 -5.406 1.00 10.00 S ATOM 0 HA CYS A 5 -6.870 1.511 -2.929 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -8.138 4.200 -3.208 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.443 3.755 -3.223 1.00 10.00 H new ATOM 0 HG CYS A 5 -8.361 4.391 -5.796 1.00 10.00 H new ATOM 74 N SER A 6 -7.803 2.635 -0.703 1.00 10.00 N ATOM 75 CA SER A 6 -8.379 2.789 0.636 1.00 10.00 C ATOM 76 C SER A 6 -9.292 4.018 0.728 1.00 10.00 C ATOM 77 O SER A 6 -9.798 4.350 1.797 1.00 10.00 O ATOM 78 CB SER A 6 -7.258 2.878 1.675 1.00 10.00 C ATOM 79 OG SER A 6 -7.718 2.521 2.965 1.00 10.00 O ATOM 0 H SER A 6 -6.814 2.878 -0.762 1.00 10.00 H new ATOM 0 HA SER A 6 -8.995 1.913 0.839 1.00 10.00 H new ATOM 0 HB2 SER A 6 -6.438 2.221 1.385 1.00 10.00 H new ATOM 0 HB3 SER A 6 -6.860 3.893 1.697 1.00 10.00 H new ATOM 0 HG SER A 6 -7.540 1.571 3.124 1.00 10.00 H new ATOM 85 N ALA A 7 -9.493 4.698 -0.394 1.00 10.00 N ATOM 86 CA ALA A 7 -10.346 5.880 -0.426 1.00 10.00 C ATOM 87 C ALA A 7 -11.823 5.494 -0.476 1.00 10.00 C ATOM 88 O ALA A 7 -12.175 4.317 -0.424 1.00 10.00 O ATOM 89 CB ALA A 7 -9.988 6.758 -1.614 1.00 10.00 C ATOM 0 H ALA A 7 -9.078 4.452 -1.293 1.00 10.00 H new ATOM 0 HA ALA A 7 -10.176 6.443 0.492 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.633 7.636 -1.625 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.948 7.073 -1.533 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.126 6.195 -2.537 1.00 10.00 H new ATOM 95 N TYR A 8 -12.681 6.488 -0.624 1.00 10.00 N ATOM 96 CA TYR A 8 -14.113 6.261 -0.664 1.00 10.00 C ATOM 97 C TYR A 8 -14.638 6.368 -2.097 1.00 10.00 C ATOM 98 O TYR A 8 -14.901 7.457 -2.594 1.00 10.00 O ATOM 99 CB TYR A 8 -14.809 7.270 0.267 1.00 10.00 C ATOM 100 CG TYR A 8 -16.299 7.459 0.036 1.00 10.00 C ATOM 101 CD1 TYR A 8 -17.133 6.384 -0.257 1.00 10.00 C ATOM 102 CD2 TYR A 8 -16.865 8.727 0.104 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.484 6.569 -0.480 1.00 10.00 C ATOM 104 CE2 TYR A 8 -18.216 8.917 -0.113 1.00 10.00 C ATOM 105 CZ TYR A 8 -19.020 7.836 -0.408 1.00 10.00 C ATOM 106 OH TYR A 8 -20.365 8.025 -0.630 1.00 10.00 O ATOM 0 H TYR A 8 -12.407 7.466 -0.719 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.333 5.252 -0.316 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -14.657 6.950 1.298 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.317 8.237 0.158 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.717 5.389 -0.311 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -16.238 9.577 0.330 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -19.117 5.724 -0.710 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -18.641 9.908 -0.052 1.00 10.00 H new ATOM 0 HH TYR A 8 -20.581 8.977 -0.540 1.00 10.00 H new ATOM 116 N GLY A 9 -14.737 5.225 -2.768 1.00 10.00 N ATOM 117 CA GLY A 9 -15.265 5.200 -4.122 1.00 10.00 C ATOM 118 C GLY A 9 -14.203 5.216 -5.208 1.00 10.00 C ATOM 119 O GLY A 9 -14.532 5.165 -6.393 1.00 10.00 O ATOM 0 H GLY A 9 -14.461 4.315 -2.399 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.879 4.307 -4.244 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.921 6.059 -4.259 1.00 10.00 H new ATOM 123 N CYS A 10 -12.934 5.260 -4.825 1.00 10.00 N ATOM 124 CA CYS A 10 -11.854 5.287 -5.802 1.00 10.00 C ATOM 125 C CYS A 10 -11.546 3.898 -6.350 1.00 10.00 C ATOM 126 O CYS A 10 -10.540 3.281 -5.989 1.00 10.00 O ATOM 127 CB CYS A 10 -10.582 5.906 -5.220 1.00 10.00 C ATOM 128 SG CYS A 10 -9.280 6.150 -6.446 1.00 10.00 S ATOM 0 H CYS A 10 -12.629 5.278 -3.852 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.202 5.911 -6.625 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.828 6.866 -4.766 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.206 5.264 -4.424 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.158 6.408 -5.842 1.00 10.00 H new ATOM 133 N LYS A 11 -12.430 3.387 -7.187 1.00 10.00 N ATOM 134 CA LYS A 11 -12.222 2.087 -7.809 1.00 10.00 C ATOM 135 C LYS A 11 -11.387 2.261 -9.075 1.00 10.00 C ATOM 136 O LYS A 11 -11.697 1.708 -10.131 1.00 10.00 O ATOM 137 CB LYS A 11 -13.559 1.418 -8.129 1.00 10.00 C ATOM 138 CG LYS A 11 -14.117 0.599 -6.976 1.00 10.00 C ATOM 139 CD LYS A 11 -15.477 0.004 -7.312 1.00 10.00 C ATOM 140 CE LYS A 11 -15.868 -1.082 -6.322 1.00 10.00 C ATOM 141 NZ LYS A 11 -17.208 -1.657 -6.612 1.00 10.00 N ATOM 0 H LYS A 11 -13.299 3.850 -7.453 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.687 1.440 -7.114 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -14.283 2.185 -8.404 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.434 0.771 -8.997 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.421 -0.202 -6.729 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.205 1.229 -6.091 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -16.231 0.791 -7.308 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -15.455 -0.411 -8.320 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -15.122 -1.876 -6.345 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -15.863 -0.669 -5.313 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -17.429 -2.392 -5.911 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -17.926 -0.906 -6.565 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -17.207 -2.076 -7.564 1.00 10.00 H new ATOM 155 N ASN A 12 -10.312 3.029 -8.941 1.00 10.00 N ATOM 156 CA ASN A 12 -9.404 3.327 -10.048 1.00 10.00 C ATOM 157 C ASN A 12 -8.357 2.251 -10.202 1.00 10.00 C ATOM 158 O ASN A 12 -7.160 2.533 -10.242 1.00 10.00 O ATOM 159 CB ASN A 12 -8.722 4.659 -9.832 1.00 10.00 C ATOM 160 CG ASN A 12 -9.677 5.828 -10.029 1.00 10.00 C ATOM 161 OD1 ASN A 12 -10.788 5.654 -10.537 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.257 7.027 -9.659 1.00 10.00 N ATOM 0 H ASN A 12 -10.043 3.465 -8.059 1.00 10.00 H new ATOM 0 HA ASN A 12 -10.002 3.368 -10.958 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -8.308 4.695 -8.824 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -7.885 4.754 -10.524 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -9.857 7.841 -9.791 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -8.333 7.137 -9.242 1.00 10.00 H new ATOM 169 N ARG A 13 -8.850 1.031 -10.213 1.00 10.00 N ATOM 170 CA ARG A 13 -8.052 -0.185 -10.394 1.00 10.00 C ATOM 171 C ARG A 13 -6.850 0.088 -11.303 1.00 10.00 C ATOM 172 O ARG A 13 -7.030 0.632 -12.392 1.00 10.00 O ATOM 173 CB ARG A 13 -8.956 -1.252 -11.035 1.00 10.00 C ATOM 174 CG ARG A 13 -8.493 -2.701 -10.896 1.00 10.00 C ATOM 175 CD ARG A 13 -7.102 -2.922 -11.474 1.00 10.00 C ATOM 176 NE ARG A 13 -7.067 -4.036 -12.419 1.00 10.00 N ATOM 177 CZ ARG A 13 -7.120 -3.897 -13.744 1.00 10.00 C ATOM 178 NH1 ARG A 13 -7.142 -2.688 -14.295 1.00 10.00 N ATOM 179 NH2 ARG A 13 -7.129 -4.976 -14.513 1.00 10.00 N ATOM 0 H ARG A 13 -9.845 0.841 -10.094 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.675 -0.527 -9.430 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.950 -1.167 -10.597 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -9.055 -1.024 -12.096 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.495 -2.981 -9.843 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.202 -3.357 -11.401 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.770 -2.013 -11.975 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.400 -3.114 -10.663 1.00 10.00 H new ATOM 0 HE ARG A 13 -6.998 -4.981 -12.041 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -7.118 -1.857 -13.703 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -7.183 -2.591 -15.310 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -7.096 -5.904 -14.090 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -7.169 -4.879 -15.528 1.00 10.00 H new ATOM 193 N TYR A 14 -5.651 -0.299 -10.835 1.00 10.00 N ATOM 194 CA TYR A 14 -4.387 -0.119 -11.569 1.00 10.00 C ATOM 195 C TYR A 14 -4.587 -0.091 -13.079 1.00 10.00 C ATOM 196 O TYR A 14 -4.843 -1.118 -13.712 1.00 10.00 O ATOM 197 CB TYR A 14 -3.412 -1.247 -11.227 1.00 10.00 C ATOM 198 CG TYR A 14 -1.997 -0.788 -10.929 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.335 0.107 -11.765 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.323 -1.251 -9.803 1.00 10.00 C ATOM 201 CE1 TYR A 14 -0.049 0.527 -11.485 1.00 10.00 C ATOM 202 CE2 TYR A 14 -0.033 -0.835 -9.520 1.00 10.00 C ATOM 203 CZ TYR A 14 0.598 0.054 -10.363 1.00 10.00 C ATOM 204 OH TYR A 14 1.875 0.487 -10.078 1.00 10.00 O ATOM 0 H TYR A 14 -5.531 -0.750 -9.928 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.983 0.845 -11.260 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.794 -1.790 -10.363 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.384 -1.951 -12.059 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.835 0.479 -12.647 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.814 -1.946 -9.139 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.448 1.224 -12.143 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.476 -1.206 -8.643 1.00 10.00 H new ATOM 0 HH TYR A 14 2.189 0.060 -9.253 1.00 10.00 H new ATOM 214 N ASP A 15 -4.460 1.094 -13.635 1.00 10.00 N ATOM 215 CA ASP A 15 -4.608 1.301 -15.059 1.00 10.00 C ATOM 216 C ASP A 15 -3.438 2.135 -15.540 1.00 10.00 C ATOM 217 O ASP A 15 -3.356 3.330 -15.271 1.00 10.00 O ATOM 218 CB ASP A 15 -5.957 1.965 -15.361 1.00 10.00 C ATOM 219 CG ASP A 15 -6.037 2.569 -16.747 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.617 1.905 -17.721 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.539 3.708 -16.864 1.00 10.00 O ATOM 0 H ASP A 15 -4.251 1.944 -13.111 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.602 0.350 -15.591 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.750 1.225 -15.250 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -6.142 2.745 -14.622 1.00 10.00 H new ATOM 226 N LYS A 16 -2.517 1.466 -16.218 1.00 10.00 N ATOM 227 CA LYS A 16 -1.300 2.089 -16.729 1.00 10.00 C ATOM 228 C LYS A 16 -1.597 3.283 -17.635 1.00 10.00 C ATOM 229 O LYS A 16 -0.767 4.187 -17.777 1.00 10.00 O ATOM 230 CB LYS A 16 -0.479 1.038 -17.480 1.00 10.00 C ATOM 231 CG LYS A 16 -0.475 1.215 -18.990 1.00 10.00 C ATOM 232 CD LYS A 16 -0.324 -0.112 -19.703 1.00 10.00 C ATOM 233 CE LYS A 16 -0.851 -0.041 -21.125 1.00 10.00 C ATOM 234 NZ LYS A 16 -2.333 0.080 -21.163 1.00 10.00 N ATOM 0 H LYS A 16 -2.591 0.471 -16.431 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.732 2.473 -15.882 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.549 1.069 -17.119 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.870 0.049 -17.242 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.402 1.695 -19.304 1.00 10.00 H new ATOM 0 HG3 LYS A 16 0.340 1.879 -19.278 1.00 10.00 H new ATOM 0 HD2 LYS A 16 0.727 -0.402 -19.717 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -0.860 -0.885 -19.153 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.404 0.812 -21.635 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -0.546 -0.934 -21.670 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.724 -0.640 -21.804 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -2.717 -0.062 -20.207 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.595 1.026 -21.505 1.00 10.00 H new ATOM 248 N ASP A 17 -2.771 3.279 -18.248 1.00 10.00 N ATOM 249 CA ASP A 17 -3.166 4.362 -19.133 1.00 10.00 C ATOM 250 C ASP A 17 -3.341 5.646 -18.339 1.00 10.00 C ATOM 251 O ASP A 17 -3.051 6.743 -18.816 1.00 10.00 O ATOM 252 CB ASP A 17 -4.466 4.017 -19.860 1.00 10.00 C ATOM 253 CG ASP A 17 -4.223 3.366 -21.201 1.00 10.00 C ATOM 254 OD1 ASP A 17 -3.294 2.538 -21.312 1.00 10.00 O ATOM 255 OD2 ASP A 17 -4.957 3.681 -22.158 1.00 10.00 O ATOM 0 H ASP A 17 -3.465 2.538 -18.149 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.381 4.505 -19.875 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.060 3.348 -19.237 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.052 4.925 -20.001 1.00 10.00 H new ATOM 260 N LYS A 18 -3.810 5.488 -17.114 1.00 10.00 N ATOM 261 CA LYS A 18 -4.032 6.610 -16.221 1.00 10.00 C ATOM 262 C LYS A 18 -2.752 6.902 -15.433 1.00 10.00 C ATOM 263 O LYS A 18 -2.003 5.983 -15.089 1.00 10.00 O ATOM 264 CB LYS A 18 -5.223 6.313 -15.294 1.00 10.00 C ATOM 265 CG LYS A 18 -4.851 5.901 -13.882 1.00 10.00 C ATOM 266 CD LYS A 18 -5.991 5.175 -13.171 1.00 10.00 C ATOM 267 CE LYS A 18 -7.371 5.640 -13.633 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.945 4.767 -14.699 1.00 10.00 N ATOM 0 H LYS A 18 -4.047 4.581 -16.712 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.279 7.501 -16.798 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.854 7.200 -15.243 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.823 5.520 -15.741 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.975 5.254 -13.914 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.573 6.786 -13.309 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.897 4.103 -13.345 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.901 5.332 -12.096 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.049 5.658 -12.779 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.300 6.662 -14.005 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.564 5.332 -15.315 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.174 4.357 -15.265 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.497 4.002 -14.261 1.00 10.00 H new ATOM 282 N PRO A 19 -2.464 8.180 -15.149 1.00 10.00 N ATOM 283 CA PRO A 19 -1.246 8.555 -14.433 1.00 10.00 C ATOM 284 C PRO A 19 -1.335 8.382 -12.916 1.00 10.00 C ATOM 285 O PRO A 19 -1.473 9.359 -12.173 1.00 10.00 O ATOM 286 CB PRO A 19 -1.092 10.029 -14.797 1.00 10.00 C ATOM 287 CG PRO A 19 -2.483 10.528 -15.013 1.00 10.00 C ATOM 288 CD PRO A 19 -3.285 9.353 -15.511 1.00 10.00 C ATOM 0 HA PRO A 19 -0.405 7.921 -14.713 1.00 10.00 H new ATOM 0 HB2 PRO A 19 -0.595 10.581 -13.999 1.00 10.00 H new ATOM 0 HB3 PRO A 19 -0.486 10.151 -15.695 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -2.903 10.920 -14.087 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -2.495 11.342 -15.738 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -4.268 9.313 -15.041 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.448 9.409 -16.587 1.00 10.00 H new ATOM 296 N VAL A 20 -1.237 7.137 -12.456 1.00 10.00 N ATOM 297 CA VAL A 20 -1.256 6.840 -11.027 1.00 10.00 C ATOM 298 C VAL A 20 -0.390 5.618 -10.735 1.00 10.00 C ATOM 299 O VAL A 20 -0.281 4.707 -11.558 1.00 10.00 O ATOM 300 CB VAL A 20 -2.680 6.604 -10.424 1.00 10.00 C ATOM 301 CG1 VAL A 20 -3.692 7.632 -10.908 1.00 10.00 C ATOM 302 CG2 VAL A 20 -3.179 5.186 -10.679 1.00 10.00 C ATOM 0 H VAL A 20 -1.143 6.316 -13.054 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.862 7.735 -10.546 1.00 10.00 H new ATOM 0 HB VAL A 20 -2.578 6.732 -9.346 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -4.664 7.424 -10.461 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -3.364 8.630 -10.617 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.773 7.579 -11.994 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -4.171 5.066 -10.244 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -3.230 5.006 -11.753 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.494 4.472 -10.223 1.00 10.00 H new ATOM 312 N SER A 21 0.242 5.628 -9.577 1.00 10.00 N ATOM 313 CA SER A 21 1.079 4.528 -9.143 1.00 10.00 C ATOM 314 C SER A 21 0.534 4.009 -7.822 1.00 10.00 C ATOM 315 O SER A 21 -0.208 4.721 -7.147 1.00 10.00 O ATOM 316 CB SER A 21 2.534 4.986 -8.985 1.00 10.00 C ATOM 317 OG SER A 21 2.636 6.119 -8.129 1.00 10.00 O ATOM 0 H SER A 21 0.189 6.399 -8.911 1.00 10.00 H new ATOM 0 HA SER A 21 1.065 3.733 -9.889 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.132 4.169 -8.581 1.00 10.00 H new ATOM 0 HB3 SER A 21 2.948 5.230 -9.963 1.00 10.00 H new ATOM 0 HG SER A 21 3.576 6.384 -8.048 1.00 10.00 H new ATOM 323 N PHE A 22 0.890 2.798 -7.434 1.00 10.00 N ATOM 324 CA PHE A 22 0.392 2.254 -6.183 1.00 10.00 C ATOM 325 C PHE A 22 1.512 2.204 -5.138 1.00 10.00 C ATOM 326 O PHE A 22 2.691 2.333 -5.466 1.00 10.00 O ATOM 327 CB PHE A 22 -0.247 0.876 -6.412 1.00 10.00 C ATOM 328 CG PHE A 22 -1.757 0.909 -6.551 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.371 1.063 -7.793 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.565 0.770 -5.432 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.759 1.077 -7.906 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.944 0.788 -5.541 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.539 0.941 -6.777 1.00 10.00 C ATOM 0 H PHE A 22 1.512 2.181 -7.957 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.386 2.911 -5.794 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.180 0.434 -7.312 1.00 10.00 H new ATOM 0 HB3 PHE A 22 0.016 0.223 -5.580 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -1.763 1.173 -8.679 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -2.110 0.646 -4.460 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.223 1.194 -8.874 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.556 0.682 -4.657 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.616 0.954 -6.860 1.00 10.00 H new ATOM 343 N HIS A 23 1.112 2.114 -3.876 1.00 10.00 N ATOM 344 CA HIS A 23 2.031 2.083 -2.720 1.00 10.00 C ATOM 345 C HIS A 23 1.336 1.426 -1.561 1.00 10.00 C ATOM 346 O HIS A 23 0.183 1.096 -1.671 1.00 10.00 O ATOM 347 CB HIS A 23 2.410 3.482 -2.238 1.00 10.00 C ATOM 348 CG HIS A 23 2.029 4.572 -3.164 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.745 5.291 -4.058 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.737 4.983 -3.286 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.861 6.115 -4.705 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.656 5.896 -4.207 1.00 10.00 N flip ATOM 0 H HIS A 23 0.128 2.059 -3.611 1.00 10.00 H new ATOM 0 HA HIS A 23 2.924 1.549 -3.045 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.938 3.661 -1.272 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.487 3.518 -2.077 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.750 5.232 -4.220 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.093 4.608 -2.706 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.106 6.820 -5.485 1.00 10.00 H new ATOM 361 N LYS A 24 2.017 1.258 -0.451 1.00 10.00 N ATOM 362 CA LYS A 24 1.402 0.664 0.722 1.00 10.00 C ATOM 363 C LYS A 24 1.265 1.739 1.805 1.00 10.00 C ATOM 364 O LYS A 24 1.839 2.820 1.672 1.00 10.00 O ATOM 365 CB LYS A 24 2.242 -0.501 1.239 1.00 10.00 C ATOM 366 CG LYS A 24 1.607 -1.858 0.988 1.00 10.00 C ATOM 367 CD LYS A 24 2.621 -2.981 1.125 1.00 10.00 C ATOM 368 CE LYS A 24 3.167 -3.076 2.542 1.00 10.00 C ATOM 369 NZ LYS A 24 4.489 -3.756 2.575 1.00 10.00 N ATOM 0 H LYS A 24 2.995 1.522 -0.332 1.00 10.00 H new ATOM 0 HA LYS A 24 0.418 0.277 0.458 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.222 -0.473 0.763 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.404 -0.376 2.310 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.791 -2.015 1.693 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.173 -1.878 -0.012 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.155 -3.927 0.850 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.443 -2.816 0.428 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.261 -2.075 2.964 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.461 -3.621 3.169 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.831 -3.803 3.556 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.393 -4.719 2.195 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.169 -3.222 1.997 1.00 10.00 H new ATOM 383 N PHE A 25 0.487 1.470 2.851 1.00 10.00 N ATOM 384 CA PHE A 25 0.320 2.437 3.946 1.00 10.00 C ATOM 385 C PHE A 25 1.660 2.733 4.610 1.00 10.00 C ATOM 386 O PHE A 25 2.584 1.917 4.549 1.00 10.00 O ATOM 387 CB PHE A 25 -0.599 1.887 5.037 1.00 10.00 C ATOM 388 CG PHE A 25 -2.036 2.347 4.978 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.896 1.844 4.029 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.528 3.261 5.900 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.221 2.247 3.977 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.849 3.664 5.862 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.696 3.161 4.895 1.00 10.00 C ATOM 0 H PHE A 25 -0.035 0.602 2.968 1.00 10.00 H new ATOM 0 HA PHE A 25 -0.108 3.337 3.504 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.583 0.798 4.985 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -0.187 2.165 6.007 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.532 1.123 3.312 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.870 3.662 6.657 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.880 1.847 3.220 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.219 4.372 6.589 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.727 3.482 4.857 1.00 10.00 H new ATOM 403 N PRO A 26 1.788 3.902 5.256 1.00 10.00 N ATOM 404 CA PRO A 26 3.002 4.271 5.988 1.00 10.00 C ATOM 405 C PRO A 26 3.141 3.416 7.243 1.00 10.00 C ATOM 406 O PRO A 26 2.884 3.874 8.354 1.00 10.00 O ATOM 407 CB PRO A 26 2.747 5.729 6.373 1.00 10.00 C ATOM 408 CG PRO A 26 1.269 5.834 6.430 1.00 10.00 C ATOM 409 CD PRO A 26 0.776 4.977 5.308 1.00 10.00 C ATOM 0 HA PRO A 26 3.914 4.129 5.408 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.201 5.973 7.333 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.167 6.415 5.638 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.885 5.487 7.389 1.00 10.00 H new ATOM 0 HG3 PRO A 26 0.942 6.867 6.311 1.00 10.00 H new ATOM 0 HD2 PRO A 26 -0.222 4.585 5.505 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.722 5.529 4.370 1.00 10.00 H new ATOM 417 N LEU A 27 3.534 2.166 7.060 1.00 10.00 N ATOM 418 CA LEU A 27 3.671 1.242 8.172 1.00 10.00 C ATOM 419 C LEU A 27 4.807 1.661 9.078 1.00 10.00 C ATOM 420 O LEU A 27 4.839 1.334 10.265 1.00 10.00 O ATOM 421 CB LEU A 27 3.892 -0.173 7.649 1.00 10.00 C ATOM 422 CG LEU A 27 2.610 -0.897 7.239 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.909 -2.331 6.834 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.600 -0.847 8.374 1.00 10.00 C ATOM 0 H LEU A 27 3.764 1.768 6.149 1.00 10.00 H new ATOM 0 HA LEU A 27 2.751 1.259 8.757 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.562 -0.130 6.790 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.396 -0.758 8.418 1.00 10.00 H new ATOM 0 HG LEU A 27 2.181 -0.392 6.374 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.983 -2.828 6.546 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.600 -2.334 5.991 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.359 -2.860 7.674 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.689 -1.365 8.074 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.019 -1.332 9.256 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.366 0.192 8.608 1.00 10.00 H new ATOM 436 N THR A 28 5.735 2.390 8.503 1.00 10.00 N ATOM 437 CA THR A 28 6.878 2.886 9.228 1.00 10.00 C ATOM 438 C THR A 28 6.589 4.276 9.798 1.00 10.00 C ATOM 439 O THR A 28 7.466 4.933 10.364 1.00 10.00 O ATOM 440 CB THR A 28 8.092 2.922 8.291 1.00 10.00 C ATOM 441 OG1 THR A 28 7.882 3.896 7.255 1.00 10.00 O ATOM 442 CG2 THR A 28 8.288 1.553 7.660 1.00 10.00 C ATOM 0 H THR A 28 5.717 2.655 7.518 1.00 10.00 H new ATOM 0 HA THR A 28 7.093 2.222 10.065 1.00 10.00 H new ATOM 0 HB THR A 28 8.978 3.192 8.866 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.661 3.915 6.661 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.151 1.579 6.994 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.456 0.812 8.442 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.398 1.284 7.090 1.00 10.00 H new ATOM 450 N ARG A 29 5.332 4.698 9.664 1.00 10.00 N ATOM 451 CA ARG A 29 4.873 5.988 10.143 1.00 10.00 C ATOM 452 C ARG A 29 3.467 5.823 10.709 1.00 10.00 C ATOM 453 O ARG A 29 2.535 6.454 10.236 1.00 10.00 O ATOM 454 CB ARG A 29 4.842 6.982 8.975 1.00 10.00 C ATOM 455 CG ARG A 29 5.925 8.036 9.010 1.00 10.00 C ATOM 456 CD ARG A 29 5.569 9.155 9.967 1.00 10.00 C ATOM 457 NE ARG A 29 6.511 9.245 11.075 1.00 10.00 N ATOM 458 CZ ARG A 29 7.702 9.842 11.004 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.093 10.419 9.874 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.497 9.865 12.068 1.00 10.00 N ATOM 0 H ARG A 29 4.602 4.144 9.215 1.00 10.00 H new ATOM 0 HA ARG A 29 5.544 6.363 10.916 1.00 10.00 H new ATOM 0 HB2 ARG A 29 4.926 6.426 8.041 1.00 10.00 H new ATOM 0 HB3 ARG A 29 3.872 7.478 8.965 1.00 10.00 H new ATOM 0 HG2 ARG A 29 6.869 7.582 9.312 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.073 8.443 8.010 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.552 10.102 9.428 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.564 8.993 10.357 1.00 10.00 H new ATOM 0 HE ARG A 29 6.242 8.824 11.964 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.482 10.407 9.057 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.004 10.875 9.823 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.197 9.426 12.939 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.408 10.321 12.014 1.00 10.00 H new ATOM 474 N PRO A 30 3.315 4.978 11.740 1.00 10.00 N ATOM 475 CA PRO A 30 2.017 4.657 12.350 1.00 10.00 C ATOM 476 C PRO A 30 1.123 5.845 12.696 1.00 10.00 C ATOM 477 O PRO A 30 -0.001 5.902 12.227 1.00 10.00 O ATOM 478 CB PRO A 30 2.378 3.917 13.626 1.00 10.00 C ATOM 479 CG PRO A 30 3.859 4.033 13.779 1.00 10.00 C ATOM 480 CD PRO A 30 4.403 4.257 12.409 1.00 10.00 C ATOM 0 HA PRO A 30 1.425 4.094 11.629 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.864 4.350 14.484 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.075 2.872 13.567 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.118 4.860 14.441 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.277 3.128 14.220 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.323 4.842 12.430 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.634 3.317 11.907 1.00 10.00 H new ATOM 488 N SER A 31 1.582 6.768 13.539 1.00 10.00 N ATOM 489 CA SER A 31 0.761 7.925 13.907 1.00 10.00 C ATOM 490 C SER A 31 0.226 8.588 12.649 1.00 10.00 C ATOM 491 O SER A 31 -0.971 8.844 12.517 1.00 10.00 O ATOM 492 CB SER A 31 1.582 8.911 14.737 1.00 10.00 C ATOM 493 OG SER A 31 2.478 8.220 15.592 1.00 10.00 O ATOM 0 H SER A 31 2.503 6.741 13.976 1.00 10.00 H new ATOM 0 HA SER A 31 -0.082 7.594 14.513 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.140 9.574 14.076 1.00 10.00 H new ATOM 0 HB3 SER A 31 0.916 9.538 15.330 1.00 10.00 H new ATOM 0 HG SER A 31 3.340 8.106 15.140 1.00 10.00 H new ATOM 499 N LEU A 32 1.117 8.784 11.696 1.00 10.00 N ATOM 500 CA LEU A 32 0.769 9.381 10.429 1.00 10.00 C ATOM 501 C LEU A 32 -0.168 8.434 9.674 1.00 10.00 C ATOM 502 O LEU A 32 -1.132 8.861 9.049 1.00 10.00 O ATOM 503 CB LEU A 32 2.069 9.660 9.652 1.00 10.00 C ATOM 504 CG LEU A 32 1.946 10.349 8.293 1.00 10.00 C ATOM 505 CD1 LEU A 32 1.902 9.326 7.179 1.00 10.00 C ATOM 506 CD2 LEU A 32 0.739 11.258 8.252 1.00 10.00 C ATOM 0 H LEU A 32 2.102 8.532 11.782 1.00 10.00 H new ATOM 0 HA LEU A 32 0.243 10.326 10.562 1.00 10.00 H new ATOM 0 HB2 LEU A 32 2.713 10.273 10.283 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.582 8.710 9.502 1.00 10.00 H new ATOM 0 HG LEU A 32 2.829 10.970 8.144 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.814 9.836 6.220 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.817 8.734 7.193 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.043 8.670 7.321 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.676 11.735 7.274 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.163 10.673 8.429 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.833 12.023 9.023 1.00 10.00 H new ATOM 518 N CYS A 33 0.076 7.140 9.823 1.00 10.00 N ATOM 519 CA CYS A 33 -0.724 6.117 9.171 1.00 10.00 C ATOM 520 C CYS A 33 -2.155 6.235 9.650 1.00 10.00 C ATOM 521 O CYS A 33 -3.120 6.105 8.897 1.00 10.00 O ATOM 522 CB CYS A 33 -0.177 4.745 9.572 1.00 10.00 C ATOM 523 SG CYS A 33 -0.921 3.341 8.719 1.00 10.00 S ATOM 0 H CYS A 33 0.833 6.772 10.399 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.685 6.238 8.088 1.00 10.00 H new ATOM 0 HB2 CYS A 33 0.897 4.733 9.389 1.00 10.00 H new ATOM 0 HB3 CYS A 33 -0.319 4.615 10.645 1.00 10.00 H new ATOM 0 HG CYS A 33 -2.037 3.712 8.164 1.00 10.00 H new ATOM 529 N LYS A 34 -2.246 6.573 10.914 1.00 10.00 N ATOM 530 CA LYS A 34 -3.489 6.694 11.614 1.00 10.00 C ATOM 531 C LYS A 34 -4.332 7.863 11.119 1.00 10.00 C ATOM 532 O LYS A 34 -5.559 7.766 11.109 1.00 10.00 O ATOM 533 CB LYS A 34 -3.163 6.818 13.094 1.00 10.00 C ATOM 534 CG LYS A 34 -4.231 7.488 13.928 1.00 10.00 C ATOM 535 CD LYS A 34 -3.588 8.445 14.917 1.00 10.00 C ATOM 536 CE LYS A 34 -4.344 8.486 16.241 1.00 10.00 C ATOM 537 NZ LYS A 34 -4.113 7.264 17.056 1.00 10.00 N ATOM 0 H LYS A 34 -1.432 6.776 11.494 1.00 10.00 H new ATOM 0 HA LYS A 34 -4.101 5.811 11.430 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.981 5.821 13.496 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -2.234 7.379 13.201 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.923 8.029 13.283 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.813 6.737 14.461 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -2.556 8.142 15.097 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -3.556 9.446 14.486 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -4.033 9.363 16.808 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -5.411 8.594 16.045 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -4.932 7.101 17.676 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -3.987 6.446 16.427 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.259 7.390 17.636 1.00 10.00 H new ATOM 551 N GLU A 35 -3.725 8.954 10.660 1.00 10.00 N ATOM 552 CA GLU A 35 -4.566 10.050 10.208 1.00 10.00 C ATOM 553 C GLU A 35 -5.184 9.698 8.881 1.00 10.00 C ATOM 554 O GLU A 35 -6.180 10.295 8.481 1.00 10.00 O ATOM 555 CB GLU A 35 -3.871 11.396 10.106 1.00 10.00 C ATOM 556 CG GLU A 35 -2.388 11.331 9.859 1.00 10.00 C ATOM 557 CD GLU A 35 -1.691 12.605 10.285 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.921 13.655 9.657 1.00 10.00 O ATOM 559 OE2 GLU A 35 -0.938 12.571 11.275 1.00 10.00 O ATOM 0 H GLU A 35 -2.717 9.098 10.593 1.00 10.00 H new ATOM 0 HA GLU A 35 -5.325 10.173 10.981 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -4.333 11.966 9.300 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -4.046 11.949 11.029 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.966 10.486 10.403 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -2.203 11.152 8.800 1.00 10.00 H new ATOM 566 N TRP A 36 -4.612 8.715 8.193 1.00 10.00 N ATOM 567 CA TRP A 36 -5.177 8.296 6.933 1.00 10.00 C ATOM 568 C TRP A 36 -6.564 7.751 7.212 1.00 10.00 C ATOM 569 O TRP A 36 -7.475 7.931 6.414 1.00 10.00 O ATOM 570 CB TRP A 36 -4.295 7.269 6.216 1.00 10.00 C ATOM 571 CG TRP A 36 -2.972 7.833 5.769 1.00 10.00 C ATOM 572 CD1 TRP A 36 -2.267 8.836 6.370 1.00 10.00 C ATOM 573 CD2 TRP A 36 -2.203 7.437 4.622 1.00 10.00 C ATOM 574 NE1 TRP A 36 -1.119 9.099 5.669 1.00 10.00 N ATOM 575 CE2 TRP A 36 -1.049 8.247 4.598 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.374 6.477 3.612 1.00 10.00 C ATOM 577 CZ2 TRP A 36 -0.077 8.133 3.610 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.406 6.369 2.631 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.270 7.191 2.639 1.00 10.00 C ATOM 0 H TRP A 36 -3.776 8.208 8.485 1.00 10.00 H new ATOM 0 HA TRP A 36 -5.237 9.147 6.255 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -4.116 6.425 6.882 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.830 6.883 5.348 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -2.571 9.349 7.270 1.00 10.00 H new ATOM 0 HE1 TRP A 36 -0.429 9.812 5.906 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.243 5.836 3.602 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 0.798 8.766 3.610 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.527 5.639 1.845 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.469 7.077 1.860 1.00 10.00 H new ATOM 590 N GLU A 37 -6.737 7.179 8.411 1.00 10.00 N ATOM 591 CA GLU A 37 -8.026 6.644 8.817 1.00 10.00 C ATOM 592 C GLU A 37 -9.024 7.796 8.888 1.00 10.00 C ATOM 593 O GLU A 37 -10.188 7.654 8.519 1.00 10.00 O ATOM 594 CB GLU A 37 -7.941 5.962 10.192 1.00 10.00 C ATOM 595 CG GLU A 37 -6.721 5.074 10.397 1.00 10.00 C ATOM 596 CD GLU A 37 -6.887 3.664 9.878 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.849 2.985 10.290 1.00 10.00 O ATOM 598 OE2 GLU A 37 -6.024 3.207 9.106 1.00 10.00 O ATOM 0 H GLU A 37 -5.999 7.079 9.108 1.00 10.00 H new ATOM 0 HA GLU A 37 -8.343 5.897 8.089 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.945 6.732 10.963 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.838 5.360 10.338 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.865 5.533 9.903 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.490 5.033 11.462 1.00 10.00 H new ATOM 605 N ALA A 38 -8.517 8.961 9.304 1.00 10.00 N ATOM 606 CA ALA A 38 -9.319 10.167 9.448 1.00 10.00 C ATOM 607 C ALA A 38 -9.850 10.623 8.099 1.00 10.00 C ATOM 608 O ALA A 38 -10.876 11.302 8.017 1.00 10.00 O ATOM 609 CB ALA A 38 -8.509 11.276 10.107 1.00 10.00 C ATOM 0 H ALA A 38 -7.535 9.088 9.550 1.00 10.00 H new ATOM 0 HA ALA A 38 -10.169 9.936 10.090 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -9.127 12.169 10.205 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.182 10.950 11.095 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.637 11.504 9.493 1.00 10.00 H new ATOM 615 N ALA A 39 -9.146 10.241 7.041 1.00 10.00 N ATOM 616 CA ALA A 39 -9.555 10.590 5.692 1.00 10.00 C ATOM 617 C ALA A 39 -10.574 9.580 5.196 1.00 10.00 C ATOM 618 O ALA A 39 -11.415 9.888 4.347 1.00 10.00 O ATOM 619 CB ALA A 39 -8.354 10.654 4.763 1.00 10.00 C ATOM 0 H ALA A 39 -8.290 9.690 7.094 1.00 10.00 H new ATOM 0 HA ALA A 39 -10.014 11.579 5.702 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.685 10.917 3.758 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.655 11.408 5.124 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.860 9.683 4.740 1.00 10.00 H new ATOM 625 N VAL A 40 -10.506 8.376 5.751 1.00 10.00 N ATOM 626 CA VAL A 40 -11.424 7.303 5.399 1.00 10.00 C ATOM 627 C VAL A 40 -12.642 7.382 6.317 1.00 10.00 C ATOM 628 O VAL A 40 -13.068 6.399 6.922 1.00 10.00 O ATOM 629 CB VAL A 40 -10.764 5.922 5.531 1.00 10.00 C ATOM 630 CG1 VAL A 40 -11.466 4.910 4.645 1.00 10.00 C ATOM 631 CG2 VAL A 40 -9.282 5.979 5.188 1.00 10.00 C ATOM 0 H VAL A 40 -9.815 8.118 6.455 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.719 7.426 4.357 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.858 5.609 6.571 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.985 3.938 4.751 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -12.512 4.832 4.940 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.406 5.233 3.606 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.846 4.985 5.292 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -9.159 6.324 4.161 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.778 6.669 5.865 1.00 10.00 H new ATOM 641 N ARG A 41 -13.174 8.586 6.403 1.00 10.00 N ATOM 642 CA ARG A 41 -14.333 8.936 7.238 1.00 10.00 C ATOM 643 C ARG A 41 -15.634 8.234 6.830 1.00 10.00 C ATOM 644 O ARG A 41 -16.718 8.647 7.240 1.00 10.00 O ATOM 645 CB ARG A 41 -14.542 10.459 7.206 1.00 10.00 C ATOM 646 CG ARG A 41 -15.208 10.987 5.934 1.00 10.00 C ATOM 647 CD ARG A 41 -14.310 10.858 4.714 1.00 10.00 C ATOM 648 NE ARG A 41 -14.858 11.554 3.556 1.00 10.00 N ATOM 649 CZ ARG A 41 -14.142 11.900 2.489 1.00 10.00 C ATOM 650 NH1 ARG A 41 -12.851 11.587 2.420 1.00 10.00 N ATOM 651 NH2 ARG A 41 -14.719 12.552 1.488 1.00 10.00 N ATOM 0 H ARG A 41 -12.807 9.382 5.881 1.00 10.00 H new ATOM 0 HA ARG A 41 -14.102 8.589 8.245 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -15.150 10.747 8.064 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.574 10.947 7.323 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -16.135 10.441 5.759 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -15.476 12.034 6.075 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -13.324 11.261 4.946 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -14.175 9.804 4.473 1.00 10.00 H new ATOM 0 HE ARG A 41 -15.850 11.790 3.564 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -12.407 11.080 3.186 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -12.305 11.853 1.601 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -15.710 12.787 1.537 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -14.171 12.818 0.670 1.00 10.00 H new ATOM 665 N ARG A 42 -15.547 7.201 6.018 1.00 10.00 N ATOM 666 CA ARG A 42 -16.743 6.499 5.585 1.00 10.00 C ATOM 667 C ARG A 42 -16.881 5.160 6.285 1.00 10.00 C ATOM 668 O ARG A 42 -15.884 4.548 6.671 1.00 10.00 O ATOM 669 CB ARG A 42 -16.736 6.306 4.070 1.00 10.00 C ATOM 670 CG ARG A 42 -17.838 7.085 3.374 1.00 10.00 C ATOM 671 CD ARG A 42 -17.678 8.575 3.608 1.00 10.00 C ATOM 672 NE ARG A 42 -18.949 9.290 3.536 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.412 10.086 4.500 1.00 10.00 C ATOM 674 NH1 ARG A 42 -18.754 10.208 5.651 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.552 10.734 4.321 1.00 10.00 N ATOM 0 H ARG A 42 -14.672 6.830 5.647 1.00 10.00 H new ATOM 0 HA ARG A 42 -17.602 7.112 5.856 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.770 6.618 3.673 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -16.847 5.246 3.843 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.817 6.876 2.304 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.810 6.757 3.743 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -17.227 8.740 4.586 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -16.991 8.985 2.867 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.517 9.173 2.697 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -17.888 9.690 5.801 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -19.116 10.819 6.383 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.071 10.623 3.450 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -20.912 11.345 5.054 1.00 10.00 H new ATOM 689 N LYS A 43 -18.125 4.728 6.470 1.00 10.00 N ATOM 690 CA LYS A 43 -18.413 3.446 7.105 1.00 10.00 C ATOM 691 C LYS A 43 -17.729 2.325 6.338 1.00 10.00 C ATOM 692 O LYS A 43 -17.159 1.401 6.923 1.00 10.00 O ATOM 693 CB LYS A 43 -19.926 3.197 7.146 1.00 10.00 C ATOM 694 CG LYS A 43 -20.309 1.747 6.871 1.00 10.00 C ATOM 695 CD LYS A 43 -21.811 1.532 6.911 1.00 10.00 C ATOM 696 CE LYS A 43 -22.159 0.053 6.856 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.626 -0.168 6.833 1.00 10.00 N ATOM 0 H LYS A 43 -18.954 5.251 6.187 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.033 3.469 8.126 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.308 3.486 8.125 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.412 3.839 6.412 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.928 1.452 5.894 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -19.832 1.101 7.608 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.219 1.970 7.822 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.277 2.049 6.072 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -21.710 -0.393 5.968 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -21.729 -0.454 7.720 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -23.823 -1.189 6.796 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.051 0.235 7.692 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.034 0.294 5.995 1.00 10.00 H new ATOM 711 N ASN A 44 -17.791 2.428 5.020 1.00 10.00 N ATOM 712 CA ASN A 44 -17.188 1.447 4.139 1.00 10.00 C ATOM 713 C ASN A 44 -15.682 1.655 4.074 1.00 10.00 C ATOM 714 O ASN A 44 -15.130 1.998 3.028 1.00 10.00 O ATOM 715 CB ASN A 44 -17.809 1.525 2.741 1.00 10.00 C ATOM 716 CG ASN A 44 -18.332 2.907 2.391 1.00 10.00 C ATOM 717 OD1 ASN A 44 -17.593 3.772 1.921 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.622 3.121 2.617 1.00 10.00 N ATOM 0 H ASN A 44 -18.260 3.193 4.534 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.382 0.452 4.539 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.063 1.229 2.003 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.627 0.807 2.674 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -20.034 4.028 2.400 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -20.201 2.378 3.008 1.00 10.00 H new ATOM 725 N PHE A 45 -15.038 1.486 5.222 1.00 10.00 N ATOM 726 CA PHE A 45 -13.600 1.616 5.331 1.00 10.00 C ATOM 727 C PHE A 45 -12.961 0.447 4.599 1.00 10.00 C ATOM 728 O PHE A 45 -13.176 -0.713 4.953 1.00 10.00 O ATOM 729 CB PHE A 45 -13.180 1.646 6.819 1.00 10.00 C ATOM 730 CG PHE A 45 -11.750 2.069 7.060 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.711 1.291 6.596 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.443 3.242 7.741 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.397 1.653 6.791 1.00 10.00 C ATOM 734 CE2 PHE A 45 -10.128 3.613 7.945 1.00 10.00 C ATOM 735 CZ PHE A 45 -9.103 2.819 7.467 1.00 10.00 C ATOM 0 H PHE A 45 -15.502 1.255 6.100 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.265 2.550 4.880 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.842 2.326 7.356 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.328 0.654 7.245 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.933 0.376 6.067 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -12.240 3.869 8.114 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.600 1.027 6.417 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.901 4.524 8.478 1.00 10.00 H new ATOM 0 HZ PHE A 45 -8.075 3.110 7.622 1.00 10.00 H new ATOM 745 N LYS A 46 -12.209 0.772 3.561 1.00 10.00 N ATOM 746 CA LYS A 46 -11.533 -0.218 2.742 1.00 10.00 C ATOM 747 C LYS A 46 -10.404 -0.900 3.520 1.00 10.00 C ATOM 748 O LYS A 46 -10.195 -0.588 4.681 1.00 10.00 O ATOM 749 CB LYS A 46 -11.040 0.464 1.470 1.00 10.00 C ATOM 750 CG LYS A 46 -11.763 -0.046 0.238 1.00 10.00 C ATOM 751 CD LYS A 46 -12.477 1.072 -0.504 1.00 10.00 C ATOM 752 CE LYS A 46 -13.774 0.585 -1.128 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.619 -0.755 -1.760 1.00 10.00 N ATOM 0 H LYS A 46 -12.050 1.734 3.262 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.225 -1.013 2.465 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.185 1.541 1.556 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.969 0.294 1.359 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -11.048 -0.526 -0.430 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.486 -0.807 0.531 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.688 1.891 0.184 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.824 1.469 -1.281 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.549 0.538 -0.363 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -14.108 1.303 -1.877 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.300 -0.852 -2.540 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.652 -0.855 -2.130 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.797 -1.496 -1.052 1.00 10.00 H new ATOM 767 N PRO A 47 -9.657 -1.844 2.912 1.00 10.00 N ATOM 768 CA PRO A 47 -8.592 -2.559 3.616 1.00 10.00 C ATOM 769 C PRO A 47 -7.625 -1.647 4.371 1.00 10.00 C ATOM 770 O PRO A 47 -7.466 -0.464 4.068 1.00 10.00 O ATOM 771 CB PRO A 47 -7.895 -3.352 2.519 1.00 10.00 C ATOM 772 CG PRO A 47 -8.927 -3.523 1.459 1.00 10.00 C ATOM 773 CD PRO A 47 -9.783 -2.288 1.515 1.00 10.00 C ATOM 0 HA PRO A 47 -8.997 -3.190 4.407 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.023 -2.820 2.140 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.545 -4.316 2.889 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.465 -3.634 0.478 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.522 -4.419 1.634 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.433 -1.526 0.819 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.819 -2.506 1.255 1.00 10.00 H new ATOM 781 N THR A 48 -6.937 -2.260 5.314 1.00 10.00 N ATOM 782 CA THR A 48 -6.040 -1.570 6.221 1.00 10.00 C ATOM 783 C THR A 48 -4.696 -1.244 5.624 1.00 10.00 C ATOM 784 O THR A 48 -4.465 -1.429 4.438 1.00 10.00 O ATOM 785 CB THR A 48 -5.817 -2.443 7.453 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.966 -3.558 7.121 1.00 10.00 O ATOM 787 CG2 THR A 48 -7.137 -2.971 7.934 1.00 10.00 C ATOM 0 H THR A 48 -6.986 -3.266 5.474 1.00 10.00 H new ATOM 0 HA THR A 48 -6.519 -0.622 6.466 1.00 10.00 H new ATOM 0 HB THR A 48 -5.345 -1.843 8.231 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.827 -4.112 7.917 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.980 -3.595 8.814 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.790 -2.137 8.192 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.600 -3.565 7.146 1.00 10.00 H new ATOM 795 N LYS A 49 -3.797 -0.825 6.501 1.00 10.00 N ATOM 796 CA LYS A 49 -2.453 -0.427 6.137 1.00 10.00 C ATOM 797 C LYS A 49 -1.653 -1.508 5.426 1.00 10.00 C ATOM 798 O LYS A 49 -0.526 -1.266 5.001 1.00 10.00 O ATOM 799 CB LYS A 49 -1.695 0.058 7.372 1.00 10.00 C ATOM 800 CG LYS A 49 -2.053 -0.666 8.660 1.00 10.00 C ATOM 801 CD LYS A 49 -2.683 0.289 9.662 1.00 10.00 C ATOM 802 CE LYS A 49 -4.198 0.314 9.536 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.823 1.305 10.444 1.00 10.00 N ATOM 0 H LYS A 49 -3.987 -0.752 7.500 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.567 0.384 5.418 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.626 -0.054 7.193 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.886 1.123 7.504 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.744 -1.481 8.444 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.158 -1.113 9.091 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.406 -0.009 10.673 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -2.288 1.293 9.507 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.471 0.546 8.506 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.595 -0.677 9.756 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.778 0.985 10.703 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -4.245 1.401 11.304 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.885 2.225 9.964 1.00 10.00 H new ATOM 817 N TYR A 50 -2.204 -2.699 5.299 1.00 10.00 N ATOM 818 CA TYR A 50 -1.492 -3.738 4.603 1.00 10.00 C ATOM 819 C TYR A 50 -1.789 -3.662 3.115 1.00 10.00 C ATOM 820 O TYR A 50 -0.974 -4.073 2.297 1.00 10.00 O ATOM 821 CB TYR A 50 -1.874 -5.095 5.136 1.00 10.00 C ATOM 822 CG TYR A 50 -1.299 -5.421 6.486 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.049 -5.707 6.631 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.114 -5.507 7.600 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.569 -6.085 7.845 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.599 -5.867 8.831 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.255 -6.162 8.943 1.00 10.00 C ATOM 828 OH TYR A 50 0.260 -6.589 10.140 1.00 10.00 O ATOM 0 H TYR A 50 -3.121 -2.962 5.661 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.424 -3.593 4.764 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.961 -5.155 5.194 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.550 -5.855 4.425 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.702 -5.631 5.774 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.168 -5.290 7.507 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.619 -6.320 7.936 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.242 -5.917 9.697 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.446 -6.588 10.819 1.00 10.00 H new ATOM 838 N SER A 51 -2.961 -3.144 2.767 1.00 10.00 N ATOM 839 CA SER A 51 -3.324 -3.016 1.365 1.00 10.00 C ATOM 840 C SER A 51 -2.548 -1.862 0.736 1.00 10.00 C ATOM 841 O SER A 51 -1.848 -1.121 1.432 1.00 10.00 O ATOM 842 CB SER A 51 -4.828 -2.846 1.184 1.00 10.00 C ATOM 843 OG SER A 51 -5.363 -1.953 2.127 1.00 10.00 O ATOM 0 H SER A 51 -3.665 -2.811 3.426 1.00 10.00 H new ATOM 0 HA SER A 51 -3.053 -3.939 0.852 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.035 -2.481 0.178 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.319 -3.815 1.280 1.00 10.00 H new ATOM 0 HG SER A 51 -4.652 -1.648 2.729 1.00 10.00 H new ATOM 849 N SER A 52 -2.663 -1.708 -0.566 1.00 10.00 N ATOM 850 CA SER A 52 -1.922 -0.681 -1.261 1.00 10.00 C ATOM 851 C SER A 52 -2.827 0.466 -1.747 1.00 10.00 C ATOM 852 O SER A 52 -3.974 0.250 -2.146 1.00 10.00 O ATOM 853 CB SER A 52 -1.133 -1.340 -2.399 1.00 10.00 C ATOM 854 OG SER A 52 -1.738 -2.573 -2.826 1.00 10.00 O ATOM 0 H SER A 52 -3.261 -2.280 -1.162 1.00 10.00 H new ATOM 0 HA SER A 52 -1.222 -0.208 -0.572 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.072 -0.654 -3.244 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.112 -1.531 -2.070 1.00 10.00 H new ATOM 0 HG SER A 52 -1.209 -2.963 -3.553 1.00 10.00 H new ATOM 860 N ILE A 53 -2.278 1.687 -1.705 1.00 10.00 N ATOM 861 CA ILE A 53 -2.992 2.905 -2.079 1.00 10.00 C ATOM 862 C ILE A 53 -2.371 3.487 -3.352 1.00 10.00 C ATOM 863 O ILE A 53 -1.272 3.101 -3.710 1.00 10.00 O ATOM 864 CB ILE A 53 -2.931 3.943 -0.915 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.518 3.363 0.374 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.666 5.223 -1.263 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.569 2.468 1.136 1.00 10.00 C ATOM 0 H ILE A 53 -1.317 1.854 -1.407 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.039 2.668 -2.270 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.877 4.175 -0.760 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.825 4.184 1.022 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.416 2.797 0.129 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.600 5.919 -0.427 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.214 5.673 -2.147 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.713 4.998 -1.466 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.061 2.098 2.036 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.280 1.625 0.508 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.680 3.034 1.415 1.00 10.00 H new ATOM 879 N CYS A 54 -3.049 4.415 -4.027 1.00 10.00 N ATOM 880 CA CYS A 54 -2.528 4.984 -5.263 1.00 10.00 C ATOM 881 C CYS A 54 -2.196 6.486 -5.124 1.00 10.00 C ATOM 882 O CYS A 54 -2.716 7.180 -4.251 1.00 10.00 O ATOM 883 CB CYS A 54 -3.496 4.702 -6.408 1.00 10.00 C ATOM 884 SG CYS A 54 -5.099 5.488 -6.230 1.00 10.00 S ATOM 0 H CYS A 54 -3.955 4.785 -3.738 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.579 4.499 -5.492 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -3.043 5.035 -7.342 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.640 3.625 -6.490 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.974 4.607 -5.844 1.00 10.00 H new ATOM 889 N SER A 55 -1.306 6.943 -6.013 1.00 10.00 N ATOM 890 CA SER A 55 -0.739 8.307 -6.036 1.00 10.00 C ATOM 891 C SER A 55 -1.732 9.458 -5.866 1.00 10.00 C ATOM 892 O SER A 55 -1.583 10.266 -4.954 1.00 10.00 O ATOM 893 CB SER A 55 0.030 8.482 -7.343 1.00 10.00 C ATOM 894 OG SER A 55 -0.770 8.120 -8.450 1.00 10.00 O ATOM 0 H SER A 55 -0.945 6.356 -6.765 1.00 10.00 H new ATOM 0 HA SER A 55 -0.100 8.375 -5.155 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.351 9.519 -7.445 1.00 10.00 H new ATOM 0 HB3 SER A 55 0.931 7.869 -7.324 1.00 10.00 H new ATOM 0 HG SER A 55 -1.137 8.928 -8.867 1.00 10.00 H new ATOM 900 N GLU A 56 -2.687 9.541 -6.779 1.00 10.00 N ATOM 901 CA GLU A 56 -3.729 10.583 -6.817 1.00 10.00 C ATOM 902 C GLU A 56 -4.259 11.041 -5.452 1.00 10.00 C ATOM 903 O GLU A 56 -4.761 12.151 -5.333 1.00 10.00 O ATOM 904 CB GLU A 56 -4.902 10.054 -7.638 1.00 10.00 C ATOM 905 CG GLU A 56 -4.999 8.536 -7.603 1.00 10.00 C ATOM 906 CD GLU A 56 -6.406 8.009 -7.768 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.014 8.240 -8.822 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.902 7.318 -6.839 1.00 10.00 O ATOM 0 H GLU A 56 -2.770 8.869 -7.542 1.00 10.00 H new ATOM 0 HA GLU A 56 -3.256 11.461 -7.256 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.830 10.483 -7.259 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.797 10.385 -8.671 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.372 8.123 -8.393 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.596 8.178 -6.656 1.00 10.00 H new ATOM 915 N HIS A 57 -4.142 10.212 -4.437 1.00 10.00 N ATOM 916 CA HIS A 57 -4.666 10.547 -3.119 1.00 10.00 C ATOM 917 C HIS A 57 -3.749 11.459 -2.303 1.00 10.00 C ATOM 918 O HIS A 57 -4.201 12.076 -1.336 1.00 10.00 O ATOM 919 CB HIS A 57 -4.967 9.264 -2.359 1.00 10.00 C ATOM 920 CG HIS A 57 -6.016 8.439 -3.033 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.268 8.915 -3.352 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.968 7.163 -3.493 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.930 7.940 -3.984 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.183 6.848 -4.101 1.00 10.00 N ATOM 0 H HIS A 57 -3.689 9.300 -4.493 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.580 11.120 -3.274 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -4.053 8.678 -2.263 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -5.295 9.511 -1.349 1.00 10.00 H new ATOM 0 HD1 HIS A 57 -7.627 9.847 -3.143 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.123 6.497 -3.403 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.942 8.029 -4.352 1.00 10.00 H new ATOM 932 N PHE A 58 -2.483 11.569 -2.672 1.00 10.00 N ATOM 933 CA PHE A 58 -1.570 12.431 -1.929 1.00 10.00 C ATOM 934 C PHE A 58 -0.789 13.306 -2.876 1.00 10.00 C ATOM 935 O PHE A 58 -0.792 13.089 -4.089 1.00 10.00 O ATOM 936 CB PHE A 58 -0.587 11.634 -1.054 1.00 10.00 C ATOM 937 CG PHE A 58 -0.697 10.154 -1.200 1.00 10.00 C ATOM 938 CD1 PHE A 58 -0.042 9.524 -2.230 1.00 10.00 C ATOM 939 CD2 PHE A 58 -1.447 9.392 -0.316 1.00 10.00 C ATOM 940 CE1 PHE A 58 -0.121 8.171 -2.388 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.531 8.026 -0.470 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.867 7.412 -1.509 1.00 10.00 C ATOM 0 H PHE A 58 -2.067 11.083 -3.466 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.186 13.043 -1.270 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.430 11.937 -1.302 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.752 11.898 -0.009 1.00 10.00 H new ATOM 0 HD1 PHE A 58 0.544 10.108 -2.925 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.968 9.873 0.498 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.402 7.693 -3.203 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.116 7.438 0.222 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.930 6.341 -1.635 1.00 10.00 H new ATOM 952 N THR A 59 -0.140 14.299 -2.318 1.00 10.00 N ATOM 953 CA THR A 59 0.668 15.203 -3.089 1.00 10.00 C ATOM 954 C THR A 59 1.970 14.534 -3.452 1.00 10.00 C ATOM 955 O THR A 59 2.493 13.732 -2.682 1.00 10.00 O ATOM 956 CB THR A 59 0.934 16.484 -2.289 1.00 10.00 C ATOM 957 OG1 THR A 59 0.992 16.178 -0.887 1.00 10.00 O ATOM 958 CG2 THR A 59 -0.168 17.486 -2.549 1.00 10.00 C ATOM 0 H THR A 59 -0.159 14.500 -1.318 1.00 10.00 H new ATOM 0 HA THR A 59 0.137 15.469 -4.003 1.00 10.00 H new ATOM 0 HB THR A 59 1.887 16.911 -2.601 1.00 10.00 H new ATOM 0 HG1 THR A 59 1.164 16.999 -0.380 1.00 10.00 H new ATOM 0 HG21 THR A 59 0.025 18.395 -1.979 1.00 10.00 H new ATOM 0 HG22 THR A 59 -0.200 17.724 -3.612 1.00 10.00 H new ATOM 0 HG23 THR A 59 -1.125 17.062 -2.244 1.00 10.00 H new ATOM 966 N PRO A 60 2.485 14.828 -4.645 1.00 10.00 N ATOM 967 CA PRO A 60 3.751 14.282 -5.138 1.00 10.00 C ATOM 968 C PRO A 60 4.848 14.379 -4.093 1.00 10.00 C ATOM 969 O PRO A 60 5.700 13.498 -3.973 1.00 10.00 O ATOM 970 CB PRO A 60 4.076 15.185 -6.338 1.00 10.00 C ATOM 971 CG PRO A 60 3.077 16.296 -6.286 1.00 10.00 C ATOM 972 CD PRO A 60 1.875 15.717 -5.632 1.00 10.00 C ATOM 0 HA PRO A 60 3.679 13.224 -5.390 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.094 15.570 -6.275 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.001 14.634 -7.275 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.462 17.144 -5.720 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.843 16.661 -7.286 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.252 16.481 -5.167 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.244 15.176 -6.337 1.00 10.00 H new ATOM 980 N ASP A 61 4.799 15.455 -3.332 1.00 10.00 N ATOM 981 CA ASP A 61 5.770 15.696 -2.269 1.00 10.00 C ATOM 982 C ASP A 61 5.749 14.555 -1.258 1.00 10.00 C ATOM 983 O ASP A 61 6.791 14.092 -0.798 1.00 10.00 O ATOM 984 CB ASP A 61 5.446 16.994 -1.533 1.00 10.00 C ATOM 985 CG ASP A 61 5.097 18.134 -2.468 1.00 10.00 C ATOM 986 OD1 ASP A 61 3.968 18.138 -3.008 1.00 10.00 O ATOM 987 OD2 ASP A 61 5.941 19.031 -2.662 1.00 10.00 O ATOM 0 H ASP A 61 4.093 16.185 -3.427 1.00 10.00 H new ATOM 0 HA ASP A 61 6.755 15.766 -2.730 1.00 10.00 H new ATOM 0 HB2 ASP A 61 4.612 16.821 -0.853 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.301 17.282 -0.922 1.00 10.00 H new ATOM 992 N SER A 62 4.547 14.116 -0.915 1.00 10.00 N ATOM 993 CA SER A 62 4.363 13.051 0.058 1.00 10.00 C ATOM 994 C SER A 62 4.267 11.680 -0.597 1.00 10.00 C ATOM 995 O SER A 62 4.110 10.689 0.094 1.00 10.00 O ATOM 996 CB SER A 62 3.089 13.293 0.854 1.00 10.00 C ATOM 997 OG SER A 62 3.260 12.894 2.203 1.00 10.00 O ATOM 0 H SER A 62 3.678 14.485 -1.300 1.00 10.00 H new ATOM 0 HA SER A 62 5.237 13.061 0.709 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.823 14.349 0.813 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.264 12.739 0.407 1.00 10.00 H new ATOM 0 HG SER A 62 2.515 12.317 2.470 1.00 10.00 H new ATOM 1003 N PHE A 63 4.355 11.645 -1.916 1.00 10.00 N ATOM 1004 CA PHE A 63 4.220 10.396 -2.686 1.00 10.00 C ATOM 1005 C PHE A 63 4.829 9.151 -2.021 1.00 10.00 C ATOM 1006 O PHE A 63 4.135 8.143 -1.876 1.00 10.00 O ATOM 1007 CB PHE A 63 4.806 10.517 -4.090 1.00 10.00 C ATOM 1008 CG PHE A 63 3.816 10.876 -5.172 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.451 10.696 -4.992 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.260 11.387 -6.381 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.556 11.022 -5.984 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.366 11.716 -7.382 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.011 11.533 -7.183 1.00 10.00 C ATOM 0 H PHE A 63 4.521 12.471 -2.491 1.00 10.00 H new ATOM 0 HA PHE A 63 3.141 10.251 -2.730 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.592 11.272 -4.074 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.278 9.570 -4.352 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.086 10.294 -4.058 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.318 11.530 -6.543 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.497 10.878 -5.825 1.00 10.00 H new ATOM 0 HE2 PHE A 63 3.726 12.116 -8.319 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.310 11.789 -7.963 1.00 10.00 H new ATOM 1023 N LYS A 64 6.110 9.201 -1.627 1.00 10.00 N ATOM 1024 CA LYS A 64 6.752 8.026 -1.027 1.00 10.00 C ATOM 1025 C LYS A 64 8.168 8.327 -0.522 1.00 10.00 C ATOM 1026 O LYS A 64 8.422 9.389 0.036 1.00 10.00 O ATOM 1027 CB LYS A 64 6.798 6.884 -2.052 1.00 10.00 C ATOM 1028 CG LYS A 64 7.514 7.249 -3.351 1.00 10.00 C ATOM 1029 CD LYS A 64 7.722 6.033 -4.237 1.00 10.00 C ATOM 1030 CE LYS A 64 6.517 5.781 -5.126 1.00 10.00 C ATOM 1031 NZ LYS A 64 6.389 4.342 -5.483 1.00 10.00 N ATOM 0 H LYS A 64 6.709 10.023 -1.711 1.00 10.00 H new ATOM 0 HA LYS A 64 6.155 7.733 -0.163 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.296 6.025 -1.603 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.779 6.576 -2.284 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.932 7.997 -3.890 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.479 7.701 -3.121 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.608 6.179 -4.855 1.00 10.00 H new ATOM 0 HD3 LYS A 64 7.908 5.156 -3.616 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.612 6.111 -4.615 1.00 10.00 H new ATOM 0 HE3 LYS A 64 6.605 6.375 -6.035 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 5.556 4.208 -6.090 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 7.242 4.033 -5.992 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 6.280 3.778 -4.616 1.00 10.00 H new ATOM 1045 N ARG A 65 9.082 7.375 -0.735 1.00 10.00 N ATOM 1046 CA ARG A 65 10.479 7.500 -0.316 1.00 10.00 C ATOM 1047 C ARG A 65 11.193 8.661 -1.005 1.00 10.00 C ATOM 1048 O ARG A 65 12.285 9.052 -0.603 1.00 10.00 O ATOM 1049 CB ARG A 65 11.233 6.184 -0.573 1.00 10.00 C ATOM 1050 CG ARG A 65 10.969 5.558 -1.936 1.00 10.00 C ATOM 1051 CD ARG A 65 11.202 4.051 -1.914 1.00 10.00 C ATOM 1052 NE ARG A 65 12.574 3.697 -2.285 1.00 10.00 N ATOM 1053 CZ ARG A 65 13.149 2.523 -2.000 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.494 1.610 -1.280 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.385 2.268 -2.431 1.00 10.00 N ATOM 0 H ARG A 65 8.872 6.494 -1.204 1.00 10.00 H new ATOM 0 HA ARG A 65 10.475 7.714 0.753 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.303 6.368 -0.473 1.00 10.00 H new ATOM 0 HB3 ARG A 65 10.959 5.467 0.201 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.943 5.764 -2.239 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.620 6.017 -2.680 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.986 3.666 -0.917 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.506 3.568 -2.600 1.00 10.00 H new ATOM 0 HE ARG A 65 13.126 4.389 -2.792 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.551 1.806 -0.944 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.936 0.716 -1.065 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.889 2.967 -2.976 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.826 1.374 -2.215 1.00 10.00 H new ATOM 1069 N GLU A 66 10.567 9.214 -2.032 1.00 10.00 N ATOM 1070 CA GLU A 66 11.129 10.345 -2.759 1.00 10.00 C ATOM 1071 C GLU A 66 10.775 11.648 -2.040 1.00 10.00 C ATOM 1072 O GLU A 66 11.005 12.742 -2.551 1.00 10.00 O ATOM 1073 CB GLU A 66 10.653 10.360 -4.226 1.00 10.00 C ATOM 1074 CG GLU A 66 10.832 9.023 -4.925 1.00 10.00 C ATOM 1075 CD GLU A 66 10.847 9.156 -6.430 1.00 10.00 C ATOM 1076 OE1 GLU A 66 11.928 9.424 -6.992 1.00 10.00 O ATOM 1077 OE2 GLU A 66 9.781 8.989 -7.061 1.00 10.00 O ATOM 0 H GLU A 66 9.664 8.897 -2.384 1.00 10.00 H new ATOM 0 HA GLU A 66 12.214 10.245 -2.780 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.600 10.641 -4.257 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.204 11.125 -4.773 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.764 8.565 -4.594 1.00 10.00 H new ATOM 0 HG3 GLU A 66 10.025 8.352 -4.631 1.00 10.00 H new ATOM 1084 N SER A 67 10.176 11.511 -0.858 1.00 10.00 N ATOM 1085 CA SER A 67 9.775 12.650 -0.052 1.00 10.00 C ATOM 1086 C SER A 67 10.993 13.364 0.570 1.00 10.00 C ATOM 1087 O SER A 67 11.742 14.058 -0.125 1.00 10.00 O ATOM 1088 CB SER A 67 8.790 12.161 1.026 1.00 10.00 C ATOM 1089 OG SER A 67 8.597 13.099 2.069 1.00 10.00 O ATOM 0 H SER A 67 9.958 10.607 -0.438 1.00 10.00 H new ATOM 0 HA SER A 67 9.283 13.388 -0.685 1.00 10.00 H new ATOM 0 HB2 SER A 67 7.829 11.943 0.560 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.159 11.227 1.449 1.00 10.00 H new ATOM 0 HG SER A 67 8.676 12.647 2.935 1.00 10.00 H new ATOM 1095 N ASN A 68 11.188 13.186 1.871 1.00 10.00 N ATOM 1096 CA ASN A 68 12.286 13.825 2.585 1.00 10.00 C ATOM 1097 C ASN A 68 13.466 12.879 2.780 1.00 10.00 C ATOM 1098 O ASN A 68 14.485 12.993 2.098 1.00 10.00 O ATOM 1099 CB ASN A 68 11.805 14.327 3.950 1.00 10.00 C ATOM 1100 CG ASN A 68 11.493 15.811 3.966 1.00 10.00 C ATOM 1101 OD1 ASN A 68 11.059 16.382 2.966 1.00 10.00 O ATOM 1102 ND2 ASN A 68 11.709 16.446 5.111 1.00 10.00 N ATOM 0 H ASN A 68 10.594 12.599 2.457 1.00 10.00 H new ATOM 0 HA ASN A 68 12.623 14.665 1.977 1.00 10.00 H new ATOM 0 HB2 ASN A 68 10.913 13.772 4.240 1.00 10.00 H new ATOM 0 HB3 ASN A 68 12.569 14.115 4.698 1.00 10.00 H new ATOM 0 HD21 ASN A 68 11.514 17.444 5.185 1.00 10.00 H new ATOM 0 HD22 ASN A 68 12.070 15.936 5.917 1.00 10.00 H new ATOM 1109 N ASN A 69 13.316 11.940 3.702 1.00 10.00 N ATOM 1110 CA ASN A 69 14.381 10.996 4.013 1.00 10.00 C ATOM 1111 C ASN A 69 14.188 9.690 3.261 1.00 10.00 C ATOM 1112 O ASN A 69 14.948 9.371 2.349 1.00 10.00 O ATOM 1113 CB ASN A 69 14.418 10.738 5.525 1.00 10.00 C ATOM 1114 CG ASN A 69 15.259 9.530 5.916 1.00 10.00 C ATOM 1115 OD1 ASN A 69 16.309 9.262 5.329 1.00 10.00 O ATOM 1116 ND2 ASN A 69 14.799 8.801 6.924 1.00 10.00 N ATOM 0 H ASN A 69 12.465 11.811 4.250 1.00 10.00 H new ATOM 0 HA ASN A 69 15.331 11.428 3.698 1.00 10.00 H new ATOM 0 HB2 ASN A 69 14.811 11.622 6.027 1.00 10.00 H new ATOM 0 HB3 ASN A 69 13.400 10.594 5.886 1.00 10.00 H new ATOM 0 HD21 ASN A 69 15.319 7.983 7.241 1.00 10.00 H new ATOM 0 HD22 ASN A 69 13.925 9.058 7.382 1.00 10.00 H new ATOM 1123 N LYS A 70 13.177 8.928 3.651 1.00 10.00 N ATOM 1124 CA LYS A 70 12.912 7.655 3.003 1.00 10.00 C ATOM 1125 C LYS A 70 11.414 7.362 2.953 1.00 10.00 C ATOM 1126 O LYS A 70 10.997 6.315 2.468 1.00 10.00 O ATOM 1127 CB LYS A 70 13.672 6.531 3.721 1.00 10.00 C ATOM 1128 CG LYS A 70 14.134 5.398 2.800 1.00 10.00 C ATOM 1129 CD LYS A 70 15.113 5.879 1.731 1.00 10.00 C ATOM 1130 CE LYS A 70 16.454 6.284 2.328 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.389 6.804 1.289 1.00 10.00 N ATOM 0 H LYS A 70 12.533 9.167 4.405 1.00 10.00 H new ATOM 0 HA LYS A 70 13.266 7.711 1.974 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.543 6.957 4.219 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.032 6.114 4.499 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.607 4.618 3.397 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.266 4.948 2.318 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.267 5.088 0.997 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.682 6.727 1.199 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.297 7.047 3.090 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.905 5.425 2.825 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.291 7.069 1.735 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.559 6.067 0.575 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 16.970 7.639 0.832 1.00 10.00 H new ATOM 1145 N LEU A 71 10.603 8.284 3.455 1.00 10.00 N ATOM 1146 CA LEU A 71 9.161 8.092 3.447 1.00 10.00 C ATOM 1147 C LEU A 71 8.423 9.422 3.341 1.00 10.00 C ATOM 1148 O LEU A 71 9.047 10.484 3.350 1.00 10.00 O ATOM 1149 CB LEU A 71 8.715 7.335 4.696 1.00 10.00 C ATOM 1150 CG LEU A 71 7.921 6.047 4.443 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.636 6.059 5.244 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.612 5.859 2.962 1.00 10.00 C ATOM 0 H LEU A 71 10.916 9.163 3.868 1.00 10.00 H new ATOM 0 HA LEU A 71 8.910 7.499 2.568 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.599 7.086 5.283 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.105 8.002 5.305 1.00 10.00 H new ATOM 0 HG LEU A 71 8.539 5.209 4.764 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.081 5.140 5.056 1.00 10.00 H new ATOM 0 HD12 LEU A 71 6.870 6.131 6.306 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.030 6.915 4.947 1.00 10.00 H new ATOM 0 HD21 LEU A 71 7.049 4.936 2.822 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.022 6.702 2.604 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.544 5.804 2.400 1.00 10.00 H new ATOM 1164 N LEU A 72 7.092 9.347 3.268 1.00 10.00 N ATOM 1165 CA LEU A 72 6.238 10.533 3.135 1.00 10.00 C ATOM 1166 C LEU A 72 6.423 11.496 4.295 1.00 10.00 C ATOM 1167 O LEU A 72 7.035 11.159 5.311 1.00 10.00 O ATOM 1168 CB LEU A 72 4.753 10.158 3.087 1.00 10.00 C ATOM 1169 CG LEU A 72 4.426 8.683 2.833 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.101 7.985 4.134 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.260 8.545 1.871 1.00 10.00 C ATOM 0 H LEU A 72 6.576 8.467 3.299 1.00 10.00 H new ATOM 0 HA LEU A 72 6.539 11.008 2.201 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.297 10.450 4.033 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.277 10.752 2.307 1.00 10.00 H new ATOM 0 HG LEU A 72 5.303 8.216 2.386 1.00 10.00 H new ATOM 0 HD11 LEU A 72 3.871 6.938 3.937 1.00 10.00 H new ATOM 0 HD12 LEU A 72 4.958 8.048 4.805 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.240 8.465 4.599 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.047 7.489 1.707 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.380 9.031 2.293 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.514 9.016 0.921 1.00 10.00 H new ATOM 1183 N LYS A 73 5.872 12.693 4.148 1.00 10.00 N ATOM 1184 CA LYS A 73 5.959 13.683 5.198 1.00 10.00 C ATOM 1185 C LYS A 73 4.991 13.295 6.295 1.00 10.00 C ATOM 1186 O LYS A 73 3.799 13.131 6.053 1.00 10.00 O ATOM 1187 CB LYS A 73 5.674 15.120 4.713 1.00 10.00 C ATOM 1188 CG LYS A 73 5.175 15.254 3.274 1.00 10.00 C ATOM 1189 CD LYS A 73 6.257 14.978 2.237 1.00 10.00 C ATOM 1190 CE LYS A 73 7.407 15.973 2.304 1.00 10.00 C ATOM 1191 NZ LYS A 73 7.057 17.283 1.693 1.00 10.00 N ATOM 0 H LYS A 73 5.365 12.995 3.316 1.00 10.00 H new ATOM 0 HA LYS A 73 6.985 13.695 5.565 1.00 10.00 H new ATOM 0 HB2 LYS A 73 4.933 15.566 5.377 1.00 10.00 H new ATOM 0 HB3 LYS A 73 6.588 15.705 4.816 1.00 10.00 H new ATOM 0 HG2 LYS A 73 4.346 14.564 3.118 1.00 10.00 H new ATOM 0 HG3 LYS A 73 4.784 16.260 3.124 1.00 10.00 H new ATOM 0 HD2 LYS A 73 6.646 13.970 2.384 1.00 10.00 H new ATOM 0 HD3 LYS A 73 5.815 15.007 1.241 1.00 10.00 H new ATOM 0 HE2 LYS A 73 7.693 16.125 3.345 1.00 10.00 H new ATOM 0 HE3 LYS A 73 8.275 15.557 1.793 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 7.774 17.538 0.984 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 6.126 17.214 1.234 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.025 18.014 2.432 1.00 10.00 H new ATOM 1205 N GLU A 74 5.526 13.101 7.483 1.00 10.00 N ATOM 1206 CA GLU A 74 4.744 12.711 8.660 1.00 10.00 C ATOM 1207 C GLU A 74 3.546 13.632 8.912 1.00 10.00 C ATOM 1208 O GLU A 74 2.644 13.300 9.675 1.00 10.00 O ATOM 1209 CB GLU A 74 5.630 12.702 9.897 1.00 10.00 C ATOM 1210 CG GLU A 74 6.051 14.081 10.365 1.00 10.00 C ATOM 1211 CD GLU A 74 7.144 14.686 9.509 1.00 10.00 C ATOM 1212 OE1 GLU A 74 8.187 14.023 9.308 1.00 10.00 O ATOM 1213 OE2 GLU A 74 6.966 15.823 9.037 1.00 10.00 O ATOM 0 H GLU A 74 6.523 13.208 7.670 1.00 10.00 H new ATOM 0 HA GLU A 74 4.357 11.712 8.458 1.00 10.00 H new ATOM 0 HB2 GLU A 74 5.100 12.201 10.707 1.00 10.00 H new ATOM 0 HB3 GLU A 74 6.523 12.113 9.687 1.00 10.00 H new ATOM 0 HG2 GLU A 74 5.184 14.742 10.359 1.00 10.00 H new ATOM 0 HG3 GLU A 74 6.397 14.019 11.397 1.00 10.00 H new ATOM 1220 N ASN A 75 3.574 14.800 8.307 1.00 10.00 N ATOM 1221 CA ASN A 75 2.502 15.780 8.453 1.00 10.00 C ATOM 1222 C ASN A 75 1.589 15.821 7.234 1.00 10.00 C ATOM 1223 O ASN A 75 0.785 16.742 7.076 1.00 10.00 O ATOM 1224 CB ASN A 75 3.100 17.159 8.676 1.00 10.00 C ATOM 1225 CG ASN A 75 3.180 17.531 10.143 1.00 10.00 C ATOM 1226 OD1 ASN A 75 3.269 16.534 11.009 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 3.162 18.707 10.497 1.00 10.00 N flip ATOM 0 H ASN A 75 4.336 15.103 7.700 1.00 10.00 H new ATOM 0 HA ASN A 75 1.900 15.480 9.311 1.00 10.00 H new ATOM 0 HB2 ASN A 75 4.099 17.192 8.242 1.00 10.00 H new ATOM 0 HB3 ASN A 75 2.499 17.901 8.149 1.00 10.00 H new ATOM 0 HD21 ASN A 75 3.092 19.448 9.800 1.00 10.00 H new ATOM 0 HD22 ASN A 75 3.217 18.942 11.488 1.00 10.00 H new ATOM 1234 N ALA A 76 1.712 14.831 6.378 1.00 10.00 N ATOM 1235 CA ALA A 76 0.897 14.767 5.169 1.00 10.00 C ATOM 1236 C ALA A 76 0.028 13.519 5.129 1.00 10.00 C ATOM 1237 O ALA A 76 0.517 12.399 5.277 1.00 10.00 O ATOM 1238 CB ALA A 76 1.775 14.841 3.925 1.00 10.00 C ATOM 0 H ALA A 76 2.366 14.056 6.490 1.00 10.00 H new ATOM 0 HA ALA A 76 0.230 15.629 5.186 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.149 14.792 3.034 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.330 15.779 3.927 1.00 10.00 H new ATOM 0 HB3 ALA A 76 2.475 14.005 3.923 1.00 10.00 H new ATOM 1244 N VAL A 77 -1.264 13.730 4.912 1.00 10.00 N ATOM 1245 CA VAL A 77 -2.221 12.639 4.832 1.00 10.00 C ATOM 1246 C VAL A 77 -3.139 12.837 3.616 1.00 10.00 C ATOM 1247 O VAL A 77 -3.591 13.950 3.345 1.00 10.00 O ATOM 1248 CB VAL A 77 -3.035 12.497 6.151 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -3.397 13.847 6.746 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -4.294 11.665 5.956 1.00 10.00 C ATOM 0 H VAL A 77 -1.674 14.656 4.788 1.00 10.00 H new ATOM 0 HA VAL A 77 -1.674 11.706 4.701 1.00 10.00 H new ATOM 0 HB VAL A 77 -2.383 11.977 6.853 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -3.964 13.699 7.665 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -2.486 14.403 6.967 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -4.001 14.409 6.033 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -4.832 11.592 6.901 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -4.933 12.140 5.211 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -4.021 10.666 5.615 1.00 10.00 H new ATOM 1260 N PRO A 78 -3.385 11.754 2.853 1.00 10.00 N ATOM 1261 CA PRO A 78 -4.220 11.760 1.641 1.00 10.00 C ATOM 1262 C PRO A 78 -5.576 12.439 1.828 1.00 10.00 C ATOM 1263 O PRO A 78 -6.499 11.876 2.417 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.416 10.267 1.326 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.907 9.532 2.509 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.869 10.415 3.121 1.00 10.00 C ATOM 0 HA PRO A 78 -3.740 12.329 0.845 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.467 10.040 1.148 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.871 9.983 0.426 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.710 9.325 3.216 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.482 8.571 2.219 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -2.760 10.230 4.190 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.889 10.261 2.669 1.00 10.00 H new ATOM 1274 N THR A 79 -5.684 13.648 1.305 1.00 10.00 N ATOM 1275 CA THR A 79 -6.906 14.425 1.390 1.00 10.00 C ATOM 1276 C THR A 79 -7.599 14.464 0.030 1.00 10.00 C ATOM 1277 O THR A 79 -8.775 14.805 -0.080 1.00 10.00 O ATOM 1278 CB THR A 79 -6.606 15.859 1.869 1.00 10.00 C ATOM 1279 OG1 THR A 79 -7.821 16.544 2.193 1.00 10.00 O ATOM 1280 CG2 THR A 79 -5.842 16.649 0.818 1.00 10.00 C ATOM 0 H THR A 79 -4.926 14.118 0.810 1.00 10.00 H new ATOM 0 HA THR A 79 -7.567 13.949 2.114 1.00 10.00 H new ATOM 0 HB THR A 79 -5.984 15.781 2.761 1.00 10.00 H new ATOM 0 HG1 THR A 79 -8.537 16.240 1.597 1.00 10.00 H new ATOM 0 HG21 THR A 79 -5.648 17.655 1.189 1.00 10.00 H new ATOM 0 HG22 THR A 79 -4.896 16.151 0.605 1.00 10.00 H new ATOM 0 HG23 THR A 79 -6.434 16.707 -0.095 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.851 14.086 -0.996 1.00 10.00 N ATOM 1289 CA ILE A 80 -7.343 14.090 -2.373 1.00 10.00 C ATOM 1290 C ILE A 80 -8.310 12.927 -2.636 1.00 10.00 C ATOM 1291 O ILE A 80 -8.689 12.680 -3.776 1.00 10.00 O ATOM 1292 CB ILE A 80 -6.180 14.021 -3.388 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.933 14.743 -2.847 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.616 14.596 -4.731 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.782 16.180 -3.299 1.00 10.00 C ATOM 0 H ILE A 80 -5.887 13.768 -0.902 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.879 15.030 -2.505 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.912 12.975 -3.538 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.963 14.721 -1.758 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -4.047 14.186 -3.153 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.787 14.541 -5.437 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.459 14.022 -5.116 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.914 15.636 -4.602 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.876 16.604 -2.867 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.716 16.214 -4.386 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.646 16.758 -2.969 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.669 12.193 -1.580 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.586 11.055 -1.691 1.00 10.00 C ATOM 1309 C PHE A 81 -10.806 11.374 -2.554 1.00 10.00 C ATOM 1310 O PHE A 81 -11.108 10.630 -3.484 1.00 10.00 O ATOM 1311 CB PHE A 81 -10.050 10.596 -0.305 1.00 10.00 C ATOM 1312 CG PHE A 81 -9.090 9.664 0.392 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.851 9.371 -0.159 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -9.434 9.075 1.597 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.978 8.510 0.476 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.560 8.211 2.238 1.00 10.00 C ATOM 1317 CZ PHE A 81 -7.330 7.930 1.673 1.00 10.00 C ATOM 0 H PHE A 81 -8.336 12.368 -0.632 1.00 10.00 H new ATOM 0 HA PHE A 81 -9.030 10.253 -2.177 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -10.207 11.474 0.322 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -11.015 10.098 -0.404 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.565 9.823 -1.098 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -10.394 9.291 2.042 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -6.018 8.292 0.033 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.840 7.758 3.178 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.647 7.257 2.170 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.491 12.477 -2.248 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.683 12.877 -2.996 1.00 10.00 C ATOM 1329 C LEU A 82 -13.118 14.287 -2.606 1.00 10.00 C ATOM 1330 O LEU A 82 -12.612 14.854 -1.633 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.836 11.904 -2.713 1.00 10.00 C ATOM 1332 CG LEU A 82 -14.076 10.791 -3.742 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.481 10.241 -3.584 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.861 11.276 -5.170 1.00 10.00 C ATOM 0 H LEU A 82 -11.241 13.109 -1.487 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.436 12.859 -4.057 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.655 11.437 -1.745 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.754 12.484 -2.621 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.348 10.002 -3.553 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.647 9.451 -4.317 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.602 9.836 -2.579 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -16.205 11.041 -3.742 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -14.042 10.455 -5.864 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -14.551 12.092 -5.385 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.836 11.629 -5.284 1.00 10.00 H new