USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 863 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 97 CYS SG : rot 19:sc= -1.56 USER MOD Set 1.2: A 102 CYS SG : rot 173:sc= 1.07 USER MOD Set 1.3: A 104 LYS NZ :NH3+ -141:sc= 1.37 (180deg=0) USER MOD Set 1.4: A 115 HIS : no HE2:sc= -0.717 K(o=-1.2,f=-6.4) USER MOD Set 1.5: A 116 HIS :FLIP no HE2:sc= -0.647 F(o=-2.3,f=-1.2) USER MOD Set 1.6: A 119 HIS : no HE2:sc= -0.724 K(o=-1.2,f=-5.6) USER MOD Set 2.1: A 69 CYS SG : rot 100:sc= 2.82 USER MOD Set 2.2: A 71 THR OG1 : rot 68:sc= 0.813 USER MOD Set 2.3: A 72 CYS SG : rot -58:sc= 0.477 USER MOD Set 2.4: A 85 HIS : no HD1:sc= -1.16 K(o=2.7,f=0.6) USER MOD Set 2.5: A 89 HIS : no HD1:sc= -0.254 K(o=2.7,f=0.75) USER MOD Set 3.1: A 39 CYS SG : rot 22:sc= 0.987 USER MOD Set 3.2: A 57 HIS :FLIP no HE2:sc= -2.26! C(o=-1.7!,f=-0.95!) USER MOD Set 3.3: A 58 GLN :FLIP amide:sc= 0.735 F(o=-1.7,f=-0.95) USER MOD Set 3.4: A 61 HIS : no HE2:sc= -0.413 X(o=-0.95,f=-1.4) USER MOD Set 4.1: A 49 SER OG : rot -133:sc= 0.97 USER MOD Set 4.2: A 53 GLN : amide:sc= 1.96 K(o=2.9,f=-2.9!) USER MOD Set 5.1: A 9 CYS SG : rot 70:sc= -0.518! USER MOD Set 5.2: A 14 CYS SG : rot 179:sc= 1.94 USER MOD Set 5.3: A 16 LYS NZ :NH3+ -156:sc= 1.35 (180deg=-0.00976) USER MOD Set 5.4: A 18 TYR OH : rot 180:sc= -0.0786 USER MOD Set 5.5: A 27 HIS : no HE2:sc= -2.76 K(o=-4.3,f=-5.2) USER MOD Set 5.6: A 31 HIS : no HE2:sc= -4.21 K(o=-4.3,f=-5.5) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.96 K(o=0.96,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00866) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00348 USER MOD Single : A 23 HIS : no HE2:sc= -2.01! C(o=-2!,f=-9!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -49:sc= 1.91 USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00669) USER MOD Single : A 32 THR OG1 : rot -41:sc= 1.24 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.947 K(o=0.95,f=-5.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -75:sc= -0.161 USER MOD Single : A 65 LYS NZ :NH3+ 168:sc=-0.00624 (180deg=-0.131) USER MOD Single : A 68 GLN : amide:sc= 1.13 K(o=1.1,f=-0.71) USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000773) USER MOD Single : A 73 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -0.277 K(o=-0.28,f=-3.2!) USER MOD Single : A 83 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0045) USER MOD Single : A 84 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 86 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 88 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 90 THR OG1 : rot 77:sc= 1.17 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 160:sc= -0.288 USER MOD Single : A 101 SER OG : rot -55:sc= 1.17 USER MOD Single : A 103 GLN : amide:sc= 1.04 K(o=1,f=-0.081) USER MOD Single : A 105 LYS NZ :NH3+ 171:sc= 0.623 (180deg=0.555) USER MOD Single : A 109 SER OG : rot 180:sc= 0.00149 USER MOD Single : A 117 ASN : amide:sc= 1.01 K(o=1,f=-0.058) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 13.795 18.265 -4.967 1.00 0.00 N ATOM 98 CA PHE A 7 13.200 17.418 -3.934 1.00 0.00 C ATOM 99 C PHE A 7 13.998 16.127 -3.792 1.00 0.00 C ATOM 100 O PHE A 7 14.717 15.743 -4.701 1.00 0.00 O ATOM 101 CB PHE A 7 11.743 17.080 -4.317 1.00 0.00 C ATOM 102 CG PHE A 7 10.852 18.281 -4.581 1.00 0.00 C ATOM 103 CD1 PHE A 7 10.823 18.875 -5.859 1.00 0.00 C ATOM 104 CD2 PHE A 7 10.062 18.821 -3.549 1.00 0.00 C ATOM 105 CE1 PHE A 7 10.059 20.033 -6.086 1.00 0.00 C ATOM 106 CE2 PHE A 7 9.285 19.969 -3.787 1.00 0.00 C ATOM 107 CZ PHE A 7 9.311 20.595 -5.042 1.00 0.00 C ATOM 0 HA PHE A 7 13.215 17.954 -2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 7 11.754 16.452 -5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 7 11.301 16.488 -3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 7 11.390 18.438 -6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 7 10.052 18.354 -2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.048 20.490 -7.065 1.00 0.00 H new ATOM 0 HE2 PHE A 7 8.665 20.371 -2.999 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.756 21.507 -5.204 1.00 0.00 H new ATOM 117 N MET A 8 13.892 15.469 -2.639 1.00 0.00 N ATOM 118 CA MET A 8 14.422 14.113 -2.492 1.00 0.00 C ATOM 119 C MET A 8 13.430 13.235 -1.748 1.00 0.00 C ATOM 120 O MET A 8 12.622 13.726 -0.957 1.00 0.00 O ATOM 121 CB MET A 8 15.775 14.119 -1.763 1.00 0.00 C ATOM 122 CG MET A 8 15.736 14.788 -0.381 1.00 0.00 C ATOM 123 SD MET A 8 17.220 14.532 0.630 1.00 0.00 S ATOM 124 CE MET A 8 16.876 12.860 1.247 1.00 0.00 C ATOM 0 H MET A 8 13.449 15.847 -1.801 1.00 0.00 H new ATOM 0 HA MET A 8 14.578 13.705 -3.491 1.00 0.00 H new ATOM 0 HB2 MET A 8 16.119 13.091 -1.648 1.00 0.00 H new ATOM 0 HB3 MET A 8 16.509 14.633 -2.384 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.585 15.859 -0.516 1.00 0.00 H new ATOM 0 HG3 MET A 8 14.872 14.411 0.165 1.00 0.00 H new ATOM 0 HE1 MET A 8 17.692 12.536 1.893 1.00 0.00 H new ATOM 0 HE2 MET A 8 15.945 12.866 1.813 1.00 0.00 H new ATOM 0 HE3 MET A 8 16.785 12.173 0.405 1.00 0.00 H new ATOM 134 N CYS A 9 13.513 11.933 -1.987 1.00 0.00 N ATOM 135 CA CYS A 9 12.676 10.962 -1.282 1.00 0.00 C ATOM 136 C CYS A 9 13.118 10.823 0.205 1.00 0.00 C ATOM 137 O CYS A 9 14.268 11.117 0.559 1.00 0.00 O ATOM 138 CB CYS A 9 12.757 9.604 -1.981 1.00 0.00 C ATOM 139 SG CYS A 9 11.713 8.423 -1.108 1.00 0.00 S ATOM 0 H CYS A 9 14.153 11.520 -2.666 1.00 0.00 H new ATOM 0 HA CYS A 9 11.646 11.317 -1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.434 9.696 -3.018 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.788 9.252 -1.999 1.00 0.00 H new ATOM 0 HG CYS A 9 10.463 8.730 -1.292 1.00 0.00 H new ATOM 144 N ALA A 10 12.201 10.322 1.046 1.00 0.00 N ATOM 145 CA ALA A 10 12.468 10.107 2.473 1.00 0.00 C ATOM 146 C ALA A 10 12.302 8.606 2.850 1.00 0.00 C ATOM 147 O ALA A 10 12.075 8.273 4.013 1.00 0.00 O ATOM 148 CB ALA A 10 11.510 10.973 3.307 1.00 0.00 C ATOM 0 H ALA A 10 11.260 10.056 0.757 1.00 0.00 H new ATOM 0 HA ALA A 10 13.498 10.394 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.706 10.815 4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.663 12.024 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.480 10.695 3.083 1.00 0.00 H new ATOM 154 N TYR A 11 12.477 7.715 1.859 1.00 0.00 N ATOM 155 CA TYR A 11 12.422 6.265 2.097 1.00 0.00 C ATOM 156 C TYR A 11 13.852 5.662 2.111 1.00 0.00 C ATOM 157 O TYR A 11 14.664 5.961 1.236 1.00 0.00 O ATOM 158 CB TYR A 11 11.588 5.594 1.013 1.00 0.00 C ATOM 159 CG TYR A 11 11.347 4.121 1.260 1.00 0.00 C ATOM 160 CD1 TYR A 11 10.467 3.718 2.282 1.00 0.00 C ATOM 161 CD2 TYR A 11 12.028 3.158 0.497 1.00 0.00 C ATOM 162 CE1 TYR A 11 10.353 2.355 2.600 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.888 1.794 0.786 1.00 0.00 C ATOM 164 CZ TYR A 11 11.088 1.393 1.868 1.00 0.00 C ATOM 165 OH TYR A 11 11.038 0.079 2.199 1.00 0.00 O ATOM 0 H TYR A 11 12.657 7.974 0.889 1.00 0.00 H new ATOM 0 HA TYR A 11 11.960 6.088 3.068 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.627 6.103 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.089 5.716 0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 11 9.884 4.452 2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.664 3.471 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.704 2.041 3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.392 1.056 0.180 1.00 0.00 H new ATOM 0 HH TYR A 11 11.605 -0.435 1.586 1.00 0.00 H new ATOM 175 N PRO A 12 14.172 4.811 3.123 1.00 0.00 N ATOM 176 CA PRO A 12 15.533 4.285 3.323 1.00 0.00 C ATOM 177 C PRO A 12 15.959 3.244 2.253 1.00 0.00 C ATOM 178 O PRO A 12 17.085 2.753 2.284 1.00 0.00 O ATOM 179 CB PRO A 12 15.472 3.636 4.715 1.00 0.00 C ATOM 180 CG PRO A 12 14.001 3.270 4.907 1.00 0.00 C ATOM 181 CD PRO A 12 13.284 4.418 4.208 1.00 0.00 C ATOM 0 HA PRO A 12 16.276 5.078 3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 12 16.110 2.754 4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.813 4.324 5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.760 2.307 4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.733 3.206 5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.312 4.104 3.828 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.106 5.247 4.892 1.00 0.00 H new ATOM 189 N GLY A 13 15.075 2.974 1.275 1.00 0.00 N ATOM 190 CA GLY A 13 15.453 2.164 0.099 1.00 0.00 C ATOM 191 C GLY A 13 15.412 2.998 -1.194 1.00 0.00 C ATOM 192 O GLY A 13 15.181 2.469 -2.279 1.00 0.00 O ATOM 0 H GLY A 13 14.108 3.298 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 13 16.455 1.759 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.776 1.315 0.008 1.00 0.00 H new ATOM 196 N CYS A 14 15.592 4.315 -1.038 1.00 0.00 N ATOM 197 CA CYS A 14 15.530 5.256 -2.155 1.00 0.00 C ATOM 198 C CYS A 14 16.359 6.518 -1.856 1.00 0.00 C ATOM 199 O CYS A 14 17.528 6.604 -2.242 1.00 0.00 O ATOM 200 CB CYS A 14 14.064 5.639 -2.430 1.00 0.00 C ATOM 201 SG CYS A 14 13.927 6.919 -3.709 1.00 0.00 S ATOM 0 H CYS A 14 15.784 4.754 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 14 15.950 4.775 -3.038 1.00 0.00 H new ATOM 0 HB2 CYS A 14 13.510 4.754 -2.742 1.00 0.00 H new ATOM 0 HB3 CYS A 14 13.603 5.996 -1.509 1.00 0.00 H new ATOM 0 HG CYS A 14 12.673 7.195 -3.914 1.00 0.00 H new ATOM 206 N ASN A 15 15.726 7.507 -1.198 1.00 0.00 N ATOM 207 CA ASN A 15 16.332 8.829 -0.990 1.00 0.00 C ATOM 208 C ASN A 15 16.952 9.367 -2.307 1.00 0.00 C ATOM 209 O ASN A 15 18.009 10.007 -2.295 1.00 0.00 O ATOM 210 CB ASN A 15 17.404 8.753 0.123 1.00 0.00 C ATOM 211 CG ASN A 15 16.820 8.458 1.498 1.00 0.00 C ATOM 212 OD1 ASN A 15 17.286 7.594 2.224 1.00 0.00 O ATOM 213 ND2 ASN A 15 15.819 9.199 1.934 1.00 0.00 N ATOM 0 H ASN A 15 14.791 7.411 -0.801 1.00 0.00 H new ATOM 0 HA ASN A 15 15.550 9.522 -0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.128 7.979 -0.131 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.947 9.697 0.161 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.442 9.047 2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.422 9.924 1.336 1.00 0.00 H new ATOM 220 N LYS A 16 16.226 9.181 -3.423 1.00 0.00 N ATOM 221 CA LYS A 16 16.622 9.765 -4.713 1.00 0.00 C ATOM 222 C LYS A 16 16.107 11.189 -4.829 1.00 0.00 C ATOM 223 O LYS A 16 15.471 11.692 -3.914 1.00 0.00 O ATOM 224 CB LYS A 16 16.061 8.907 -5.868 1.00 0.00 C ATOM 225 CG LYS A 16 16.747 7.528 -5.931 1.00 0.00 C ATOM 226 CD LYS A 16 16.299 6.698 -7.145 1.00 0.00 C ATOM 227 CE LYS A 16 14.860 6.174 -7.055 1.00 0.00 C ATOM 228 NZ LYS A 16 14.725 5.113 -6.040 1.00 0.00 N ATOM 0 H LYS A 16 15.366 8.633 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 16 17.710 9.782 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.987 8.775 -5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.204 9.430 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.828 7.666 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.528 6.976 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.396 7.308 -8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.975 5.851 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.188 6.997 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.552 5.788 -8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.904 4.517 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.585 4.529 -6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.590 5.544 -5.103 1.00 0.00 H new ATOM 242 N ARG A 17 16.417 11.854 -5.952 1.00 0.00 N ATOM 243 CA ARG A 17 16.078 13.270 -6.127 1.00 0.00 C ATOM 244 C ARG A 17 15.025 13.463 -7.230 1.00 0.00 C ATOM 245 O ARG A 17 15.162 12.946 -8.337 1.00 0.00 O ATOM 246 CB ARG A 17 17.342 14.078 -6.476 1.00 0.00 C ATOM 247 CG ARG A 17 18.290 14.325 -5.291 1.00 0.00 C ATOM 248 CD ARG A 17 19.213 13.142 -4.941 1.00 0.00 C ATOM 249 NE ARG A 17 18.950 12.568 -3.608 1.00 0.00 N ATOM 250 CZ ARG A 17 19.177 13.131 -2.428 1.00 0.00 C ATOM 251 NH1 ARG A 17 19.601 14.368 -2.288 1.00 0.00 N ATOM 252 NH2 ARG A 17 18.975 12.432 -1.341 1.00 0.00 N ATOM 0 H ARG A 17 16.899 11.435 -6.747 1.00 0.00 H new ATOM 0 HA ARG A 17 15.660 13.630 -5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 17 17.889 13.552 -7.259 1.00 0.00 H new ATOM 0 HB3 ARG A 17 17.040 15.040 -6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 17 18.908 15.195 -5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 17 17.694 14.574 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 17 19.094 12.363 -5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 17 20.250 13.474 -4.987 1.00 0.00 H new ATOM 0 HE ARG A 17 18.548 11.631 -3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 17 19.772 14.945 -3.112 1.00 0.00 H new ATOM 0 HH12 ARG A 17 19.759 14.750 -1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 17 18.648 11.468 -1.408 1.00 0.00 H new ATOM 0 HH22 ARG A 17 19.145 12.851 -0.427 1.00 0.00 H new ATOM 266 N TYR A 18 13.982 14.226 -6.896 1.00 0.00 N ATOM 267 CA TYR A 18 12.875 14.500 -7.802 1.00 0.00 C ATOM 268 C TYR A 18 12.838 15.989 -8.188 1.00 0.00 C ATOM 269 O TYR A 18 13.430 16.834 -7.512 1.00 0.00 O ATOM 270 CB TYR A 18 11.560 14.112 -7.126 1.00 0.00 C ATOM 271 CG TYR A 18 11.375 12.614 -7.009 1.00 0.00 C ATOM 272 CD1 TYR A 18 11.923 11.906 -5.923 1.00 0.00 C ATOM 273 CD2 TYR A 18 10.723 11.911 -8.035 1.00 0.00 C ATOM 274 CE1 TYR A 18 11.853 10.502 -5.905 1.00 0.00 C ATOM 275 CE2 TYR A 18 10.730 10.509 -8.059 1.00 0.00 C ATOM 276 CZ TYR A 18 11.356 9.800 -7.017 1.00 0.00 C ATOM 277 OH TYR A 18 11.505 8.451 -7.080 1.00 0.00 O ATOM 0 H TYR A 18 13.885 14.671 -5.984 1.00 0.00 H new ATOM 0 HA TYR A 18 13.014 13.913 -8.710 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.524 14.556 -6.131 1.00 0.00 H new ATOM 0 HB3 TYR A 18 10.729 14.532 -7.692 1.00 0.00 H new ATOM 0 HD1 TYR A 18 12.394 12.438 -5.109 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.211 12.456 -8.814 1.00 0.00 H new ATOM 0 HE1 TYR A 18 12.183 9.959 -5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.258 9.977 -8.872 1.00 0.00 H new ATOM 0 HH TYR A 18 11.107 8.116 -7.911 1.00 0.00 H new ATOM 287 N PHE A 19 12.110 16.298 -9.266 1.00 0.00 N ATOM 288 CA PHE A 19 12.031 17.666 -9.789 1.00 0.00 C ATOM 289 C PHE A 19 10.602 18.214 -9.686 1.00 0.00 C ATOM 290 O PHE A 19 10.396 19.344 -9.249 1.00 0.00 O ATOM 291 CB PHE A 19 12.485 17.683 -11.253 1.00 0.00 C ATOM 292 CG PHE A 19 13.925 17.237 -11.426 1.00 0.00 C ATOM 293 CD1 PHE A 19 14.975 18.156 -11.235 1.00 0.00 C ATOM 294 CD2 PHE A 19 14.222 15.892 -11.724 1.00 0.00 C ATOM 295 CE1 PHE A 19 16.313 17.735 -11.348 1.00 0.00 C ATOM 296 CE2 PHE A 19 15.560 15.471 -11.832 1.00 0.00 C ATOM 297 CZ PHE A 19 16.604 16.392 -11.647 1.00 0.00 C ATOM 0 H PHE A 19 11.565 15.617 -9.795 1.00 0.00 H new ATOM 0 HA PHE A 19 12.685 18.301 -9.191 1.00 0.00 H new ATOM 0 HB2 PHE A 19 11.835 17.032 -11.838 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.371 18.691 -11.653 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.753 19.187 -11.001 1.00 0.00 H new ATOM 0 HD2 PHE A 19 13.421 15.183 -11.870 1.00 0.00 H new ATOM 0 HE1 PHE A 19 17.116 18.443 -11.205 1.00 0.00 H new ATOM 0 HE2 PHE A 19 15.784 14.439 -12.057 1.00 0.00 H new ATOM 0 HZ PHE A 19 17.631 16.069 -11.734 1.00 0.00 H new ATOM 307 N LYS A 20 9.615 17.391 -10.066 1.00 0.00 N ATOM 308 CA LYS A 20 8.201 17.758 -9.924 1.00 0.00 C ATOM 309 C LYS A 20 7.705 17.405 -8.526 1.00 0.00 C ATOM 310 O LYS A 20 7.683 16.239 -8.149 1.00 0.00 O ATOM 311 CB LYS A 20 7.345 17.022 -10.980 1.00 0.00 C ATOM 312 CG LYS A 20 7.886 17.058 -12.423 1.00 0.00 C ATOM 313 CD LYS A 20 8.016 18.486 -12.974 1.00 0.00 C ATOM 314 CE LYS A 20 8.493 18.499 -14.432 1.00 0.00 C ATOM 315 NZ LYS A 20 9.892 18.043 -14.561 1.00 0.00 N ATOM 0 H LYS A 20 9.770 16.469 -10.473 1.00 0.00 H new ATOM 0 HA LYS A 20 8.106 18.833 -10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.243 15.980 -10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.345 17.455 -10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.861 16.572 -12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.223 16.483 -13.069 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.053 18.991 -12.903 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.717 19.050 -12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.846 17.858 -15.031 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.402 19.508 -14.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.191 18.115 -15.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.507 18.638 -13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.965 17.054 -14.249 1.00 0.00 H new ATOM 329 N LEU A 21 7.245 18.408 -7.785 1.00 0.00 N ATOM 330 CA LEU A 21 6.671 18.180 -6.456 1.00 0.00 C ATOM 331 C LEU A 21 5.581 17.073 -6.517 1.00 0.00 C ATOM 332 O LEU A 21 5.550 16.179 -5.681 1.00 0.00 O ATOM 333 CB LEU A 21 6.065 19.489 -5.926 1.00 0.00 C ATOM 334 CG LEU A 21 5.269 19.406 -4.609 1.00 0.00 C ATOM 335 CD1 LEU A 21 5.954 18.670 -3.451 1.00 0.00 C ATOM 336 CD2 LEU A 21 4.972 20.838 -4.147 1.00 0.00 C ATOM 0 H LEU A 21 7.257 19.385 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 21 7.461 17.849 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.874 20.206 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.407 19.894 -6.695 1.00 0.00 H new ATOM 0 HG LEU A 21 4.380 18.820 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.300 18.676 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.159 17.640 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.891 19.170 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.408 20.810 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.910 21.371 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.387 21.352 -4.909 1.00 0.00 H new ATOM 348 N SER A 22 4.716 17.143 -7.537 1.00 0.00 N ATOM 349 CA SER A 22 3.622 16.171 -7.721 1.00 0.00 C ATOM 350 C SER A 22 4.138 14.762 -8.089 1.00 0.00 C ATOM 351 O SER A 22 3.609 13.764 -7.608 1.00 0.00 O ATOM 352 CB SER A 22 2.678 16.665 -8.816 1.00 0.00 C ATOM 353 OG SER A 22 3.407 17.030 -9.977 1.00 0.00 O ATOM 0 H SER A 22 4.751 17.867 -8.254 1.00 0.00 H new ATOM 0 HA SER A 22 3.097 16.090 -6.769 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.958 15.884 -9.062 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.108 17.521 -8.454 1.00 0.00 H new ATOM 0 HG SER A 22 2.786 17.342 -10.668 1.00 0.00 H new ATOM 359 N HIS A 23 5.150 14.685 -8.968 1.00 0.00 N ATOM 360 CA HIS A 23 5.705 13.379 -9.381 1.00 0.00 C ATOM 361 C HIS A 23 6.464 12.729 -8.206 1.00 0.00 C ATOM 362 O HIS A 23 6.426 11.513 -8.026 1.00 0.00 O ATOM 363 CB HIS A 23 6.620 13.538 -10.639 1.00 0.00 C ATOM 364 CG HIS A 23 8.131 13.712 -10.734 1.00 0.00 C ATOM 365 ND1 HIS A 23 8.823 13.490 -11.908 1.00 0.00 N ATOM 366 CD2 HIS A 23 9.036 14.242 -9.856 1.00 0.00 C ATOM 367 CE1 HIS A 23 10.097 13.877 -11.738 1.00 0.00 C ATOM 368 NE2 HIS A 23 10.268 14.377 -10.508 1.00 0.00 N ATOM 0 H HIS A 23 5.596 15.493 -9.402 1.00 0.00 H new ATOM 0 HA HIS A 23 4.883 12.719 -9.658 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.406 12.659 -11.246 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.211 14.398 -11.169 1.00 0.00 H new ATOM 0 HD1 HIS A 23 8.431 13.097 -12.763 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.834 14.512 -8.830 1.00 0.00 H new ATOM 0 HE1 HIS A 23 10.872 13.797 -12.486 1.00 0.00 H new ATOM 376 N LEU A 24 7.011 13.579 -7.333 1.00 0.00 N ATOM 377 CA LEU A 24 7.565 13.126 -6.059 1.00 0.00 C ATOM 378 C LEU A 24 6.430 12.737 -5.066 1.00 0.00 C ATOM 379 O LEU A 24 6.507 11.713 -4.393 1.00 0.00 O ATOM 380 CB LEU A 24 8.452 14.212 -5.449 1.00 0.00 C ATOM 381 CG LEU A 24 9.195 13.858 -4.134 1.00 0.00 C ATOM 382 CD1 LEU A 24 8.473 14.439 -2.913 1.00 0.00 C ATOM 383 CD2 LEU A 24 9.474 12.366 -3.871 1.00 0.00 C ATOM 0 H LEU A 24 7.081 14.585 -7.487 1.00 0.00 H new ATOM 0 HA LEU A 24 8.172 12.240 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.196 14.498 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.833 15.090 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 24 10.172 14.317 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.018 14.173 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.424 15.524 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.463 14.033 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.997 12.256 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.531 11.821 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.092 11.964 -4.674 1.00 0.00 H new ATOM 395 N GLN A 25 5.370 13.542 -5.019 1.00 0.00 N ATOM 396 CA GLN A 25 4.213 13.254 -4.166 1.00 0.00 C ATOM 397 C GLN A 25 3.599 11.887 -4.523 1.00 0.00 C ATOM 398 O GLN A 25 3.337 11.070 -3.636 1.00 0.00 O ATOM 399 CB GLN A 25 3.161 14.366 -4.331 1.00 0.00 C ATOM 400 CG GLN A 25 1.868 14.242 -3.513 1.00 0.00 C ATOM 401 CD GLN A 25 0.961 15.452 -3.750 1.00 0.00 C ATOM 402 OE1 GLN A 25 1.138 16.238 -4.668 1.00 0.00 O ATOM 403 NE2 GLN A 25 -0.059 15.655 -2.941 1.00 0.00 N ATOM 0 H GLN A 25 5.286 14.401 -5.562 1.00 0.00 H new ATOM 0 HA GLN A 25 4.543 13.219 -3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.632 15.315 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.889 14.419 -5.385 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.343 13.328 -3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.108 14.163 -2.453 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.231 15.014 -2.166 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.677 16.453 -3.090 1.00 0.00 H new ATOM 412 N MET A 26 3.448 11.616 -5.831 1.00 0.00 N ATOM 413 CA MET A 26 2.985 10.305 -6.301 1.00 0.00 C ATOM 414 C MET A 26 4.036 9.218 -6.001 1.00 0.00 C ATOM 415 O MET A 26 3.692 8.143 -5.515 1.00 0.00 O ATOM 416 CB MET A 26 2.692 10.350 -7.816 1.00 0.00 C ATOM 417 CG MET A 26 1.543 9.387 -8.189 1.00 0.00 C ATOM 418 SD MET A 26 1.848 7.598 -8.005 1.00 0.00 S ATOM 419 CE MET A 26 0.164 6.901 -7.981 1.00 0.00 C ATOM 0 H MET A 26 3.640 12.286 -6.576 1.00 0.00 H new ATOM 0 HA MET A 26 2.066 10.058 -5.770 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.428 11.366 -8.109 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.591 10.081 -8.371 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.677 9.645 -7.579 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.269 9.576 -9.227 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.220 5.818 -7.873 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.392 7.321 -7.143 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.345 7.147 -8.913 1.00 0.00 H new ATOM 429 N HIS A 27 5.331 9.560 -6.156 1.00 0.00 N ATOM 430 CA HIS A 27 6.416 8.617 -5.855 1.00 0.00 C ATOM 431 C HIS A 27 6.322 8.150 -4.396 1.00 0.00 C ATOM 432 O HIS A 27 6.447 6.956 -4.110 1.00 0.00 O ATOM 433 CB HIS A 27 7.800 9.284 -6.102 1.00 0.00 C ATOM 434 CG HIS A 27 8.891 8.427 -5.549 1.00 0.00 C ATOM 435 ND1 HIS A 27 9.131 7.106 -5.872 1.00 0.00 N ATOM 436 CD2 HIS A 27 9.705 8.769 -4.506 1.00 0.00 C ATOM 437 CE1 HIS A 27 10.086 6.664 -5.041 1.00 0.00 C ATOM 438 NE2 HIS A 27 10.489 7.662 -4.250 1.00 0.00 N ATOM 0 H HIS A 27 5.644 10.473 -6.485 1.00 0.00 H new ATOM 0 HA HIS A 27 6.315 7.755 -6.515 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.953 9.436 -7.170 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.827 10.268 -5.633 1.00 0.00 H new ATOM 0 HD1 HIS A 27 8.669 6.568 -6.605 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.730 9.715 -3.986 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.471 5.655 -5.015 1.00 0.00 H new ATOM 446 N SER A 28 5.957 9.077 -3.498 1.00 0.00 N ATOM 447 CA SER A 28 5.848 8.768 -2.077 1.00 0.00 C ATOM 448 C SER A 28 4.825 7.640 -1.831 1.00 0.00 C ATOM 449 O SER A 28 5.055 6.758 -0.997 1.00 0.00 O ATOM 450 CB SER A 28 5.420 10.039 -1.304 1.00 0.00 C ATOM 451 OG SER A 28 4.024 10.284 -1.373 1.00 0.00 O ATOM 0 H SER A 28 5.734 10.043 -3.737 1.00 0.00 H new ATOM 0 HA SER A 28 6.821 8.429 -1.722 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.715 9.939 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.955 10.900 -1.706 1.00 0.00 H new ATOM 0 HG SER A 28 3.728 10.230 -2.306 1.00 0.00 H new ATOM 457 N ARG A 29 3.741 7.616 -2.641 1.00 0.00 N ATOM 458 CA ARG A 29 2.697 6.581 -2.517 1.00 0.00 C ATOM 459 C ARG A 29 3.298 5.180 -2.632 1.00 0.00 C ATOM 460 O ARG A 29 2.889 4.267 -1.914 1.00 0.00 O ATOM 461 CB ARG A 29 1.620 6.766 -3.599 1.00 0.00 C ATOM 462 CG ARG A 29 0.898 8.122 -3.644 1.00 0.00 C ATOM 463 CD ARG A 29 0.189 8.502 -2.336 1.00 0.00 C ATOM 464 NE ARG A 29 1.010 9.436 -1.549 1.00 0.00 N ATOM 465 CZ ARG A 29 0.613 10.565 -0.979 1.00 0.00 C ATOM 466 NH1 ARG A 29 -0.650 10.909 -0.830 1.00 0.00 N ATOM 467 NH2 ARG A 29 1.511 11.407 -0.544 1.00 0.00 N ATOM 0 H ARG A 29 3.570 8.297 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 29 2.240 6.689 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.084 6.598 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.869 5.987 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.622 8.898 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.164 8.104 -4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.776 8.958 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.010 7.604 -1.751 1.00 0.00 H new ATOM 0 HE ARG A 29 1.992 9.187 -1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.390 10.291 -1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.888 11.794 -0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.503 11.192 -0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.221 12.280 -0.103 1.00 0.00 H new ATOM 481 N LYS A 30 4.285 5.015 -3.531 1.00 0.00 N ATOM 482 CA LYS A 30 4.923 3.708 -3.751 1.00 0.00 C ATOM 483 C LYS A 30 5.593 3.200 -2.468 1.00 0.00 C ATOM 484 O LYS A 30 5.594 2.002 -2.198 1.00 0.00 O ATOM 485 CB LYS A 30 5.970 3.814 -4.875 1.00 0.00 C ATOM 486 CG LYS A 30 6.536 2.428 -5.239 1.00 0.00 C ATOM 487 CD LYS A 30 7.513 2.496 -6.419 1.00 0.00 C ATOM 488 CE LYS A 30 8.044 1.105 -6.794 1.00 0.00 C ATOM 489 NZ LYS A 30 8.961 0.556 -5.772 1.00 0.00 N ATOM 0 H LYS A 30 4.655 5.767 -4.113 1.00 0.00 H new ATOM 0 HA LYS A 30 4.149 2.998 -4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.517 4.268 -5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.781 4.470 -4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.044 2.005 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.715 1.755 -5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.014 2.940 -7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.348 3.148 -6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.204 0.423 -6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.564 1.163 -7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.332 -0.361 -6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.751 1.216 -5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.446 0.426 -4.878 1.00 0.00 H new ATOM 503 N HIS A 31 6.149 4.121 -1.672 1.00 0.00 N ATOM 504 CA HIS A 31 6.888 3.748 -0.473 1.00 0.00 C ATOM 505 C HIS A 31 5.936 3.511 0.719 1.00 0.00 C ATOM 506 O HIS A 31 6.252 2.738 1.617 1.00 0.00 O ATOM 507 CB HIS A 31 7.918 4.826 -0.135 1.00 0.00 C ATOM 508 CG HIS A 31 9.099 4.731 -1.086 1.00 0.00 C ATOM 509 ND1 HIS A 31 9.705 3.563 -1.508 1.00 0.00 N ATOM 510 CD2 HIS A 31 9.828 5.765 -1.613 1.00 0.00 C ATOM 511 CE1 HIS A 31 10.805 3.891 -2.198 1.00 0.00 C ATOM 512 NE2 HIS A 31 10.924 5.213 -2.290 1.00 0.00 N ATOM 0 H HIS A 31 6.098 5.126 -1.841 1.00 0.00 H new ATOM 0 HA HIS A 31 7.410 2.812 -0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.461 5.813 -0.207 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.258 4.706 0.894 1.00 0.00 H new ATOM 0 HD1 HIS A 31 9.373 2.616 -1.326 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.599 6.817 -1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.500 3.181 -2.621 1.00 0.00 H new ATOM 520 N THR A 32 4.755 4.161 0.705 1.00 0.00 N ATOM 521 CA THR A 32 3.704 3.858 1.722 1.00 0.00 C ATOM 522 C THR A 32 3.384 2.339 1.761 1.00 0.00 C ATOM 523 O THR A 32 2.993 1.811 2.800 1.00 0.00 O ATOM 524 CB THR A 32 2.393 4.625 1.431 1.00 0.00 C ATOM 525 OG1 THR A 32 1.697 4.139 0.302 1.00 0.00 O ATOM 526 CG2 THR A 32 2.545 6.142 1.321 1.00 0.00 C ATOM 0 H THR A 32 4.500 4.879 0.027 1.00 0.00 H new ATOM 0 HA THR A 32 4.103 4.177 2.685 1.00 0.00 H new ATOM 0 HB THR A 32 1.799 4.426 2.323 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.336 3.926 -0.410 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.573 6.591 1.116 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.937 6.537 2.258 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.233 6.381 0.510 1.00 0.00 H new ATOM 592 N TYR A 37 7.805 -2.478 8.915 1.00 0.00 N ATOM 593 CA TYR A 37 7.242 -2.748 10.256 1.00 0.00 C ATOM 594 C TYR A 37 7.689 -4.142 10.764 1.00 0.00 C ATOM 595 O TYR A 37 8.145 -4.972 9.989 1.00 0.00 O ATOM 596 CB TYR A 37 5.702 -2.693 10.197 1.00 0.00 C ATOM 597 CG TYR A 37 5.086 -1.308 10.152 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.945 -0.562 11.339 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.597 -0.793 8.937 1.00 0.00 C ATOM 600 CE1 TYR A 37 4.299 0.689 11.321 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.960 0.463 8.910 1.00 0.00 C ATOM 602 CZ TYR A 37 3.802 1.200 10.102 1.00 0.00 C ATOM 603 OH TYR A 37 3.180 2.408 10.062 1.00 0.00 O ATOM 0 HA TYR A 37 7.610 -1.987 10.945 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.372 -3.244 9.316 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.306 -3.217 11.067 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.335 -0.952 12.268 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.710 -1.361 8.025 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.184 1.254 12.234 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.592 0.862 7.976 1.00 0.00 H new ATOM 0 HH TYR A 37 2.903 2.603 9.142 1.00 0.00 H new ATOM 613 N GLN A 38 7.479 -4.397 12.065 1.00 0.00 N ATOM 614 CA GLN A 38 7.654 -5.749 12.649 1.00 0.00 C ATOM 615 C GLN A 38 6.447 -6.101 13.518 1.00 0.00 C ATOM 616 O GLN A 38 5.793 -5.214 14.071 1.00 0.00 O ATOM 617 CB GLN A 38 8.946 -5.800 13.499 1.00 0.00 C ATOM 618 CG GLN A 38 9.102 -7.132 14.276 1.00 0.00 C ATOM 619 CD GLN A 38 10.472 -7.387 14.898 1.00 0.00 C ATOM 620 OE1 GLN A 38 11.467 -6.754 14.569 1.00 0.00 O ATOM 621 NE2 GLN A 38 10.569 -8.356 15.791 1.00 0.00 N ATOM 0 H GLN A 38 7.187 -3.688 12.738 1.00 0.00 H new ATOM 0 HA GLN A 38 7.735 -6.474 11.839 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.809 -5.661 12.848 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.943 -4.970 14.206 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.355 -7.157 15.069 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.874 -7.954 13.598 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.739 -8.883 16.064 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.474 -8.577 16.207 1.00 0.00 H new ATOM 630 N CYS A 39 6.156 -7.402 13.625 1.00 0.00 N ATOM 631 CA CYS A 39 5.041 -7.896 14.429 1.00 0.00 C ATOM 632 C CYS A 39 5.024 -7.238 15.835 1.00 0.00 C ATOM 633 O CYS A 39 6.037 -7.225 16.547 1.00 0.00 O ATOM 634 CB CYS A 39 5.145 -9.403 14.567 1.00 0.00 C ATOM 635 SG CYS A 39 3.680 -9.935 15.464 1.00 0.00 S ATOM 0 H CYS A 39 6.687 -8.137 13.157 1.00 0.00 H new ATOM 0 HA CYS A 39 4.111 -7.634 13.924 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.195 -9.880 13.588 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.052 -9.682 15.104 1.00 0.00 H new ATOM 0 HG CYS A 39 2.746 -9.040 15.339 1.00 0.00 H new ATOM 731 N ARG A 46 8.546 -11.451 12.498 1.00 0.00 N ATOM 732 CA ARG A 46 8.077 -11.266 11.127 1.00 0.00 C ATOM 733 C ARG A 46 7.913 -9.792 10.826 1.00 0.00 C ATOM 734 O ARG A 46 7.363 -9.038 11.633 1.00 0.00 O ATOM 735 CB ARG A 46 6.738 -11.993 10.920 1.00 0.00 C ATOM 736 CG ARG A 46 6.980 -13.502 10.731 1.00 0.00 C ATOM 737 CD ARG A 46 5.688 -14.321 10.802 1.00 0.00 C ATOM 738 NE ARG A 46 5.251 -14.441 12.197 1.00 0.00 N ATOM 739 CZ ARG A 46 4.920 -15.521 12.882 1.00 0.00 C ATOM 740 NH1 ARG A 46 4.704 -16.688 12.314 1.00 0.00 N ATOM 741 NH2 ARG A 46 4.802 -15.433 14.182 1.00 0.00 N ATOM 0 HA ARG A 46 8.817 -11.687 10.447 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.088 -11.826 11.779 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.226 -11.587 10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.460 -13.671 9.767 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.671 -13.854 11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.910 -13.842 10.208 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.850 -15.311 10.376 1.00 0.00 H new ATOM 0 HE ARG A 46 5.194 -13.563 12.713 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.790 -16.787 11.302 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.450 -17.494 12.885 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.965 -14.541 14.650 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.547 -16.256 14.728 1.00 0.00 H new ATOM 755 N ARG A 47 8.434 -9.370 9.675 1.00 0.00 N ATOM 756 CA ARG A 47 8.381 -7.972 9.267 1.00 0.00 C ATOM 757 C ARG A 47 7.388 -7.789 8.122 1.00 0.00 C ATOM 758 O ARG A 47 7.132 -8.714 7.356 1.00 0.00 O ATOM 759 CB ARG A 47 9.783 -7.497 8.829 1.00 0.00 C ATOM 760 CG ARG A 47 10.733 -7.133 9.987 1.00 0.00 C ATOM 761 CD ARG A 47 11.094 -8.298 10.916 1.00 0.00 C ATOM 762 NE ARG A 47 12.000 -7.873 11.991 1.00 0.00 N ATOM 763 CZ ARG A 47 13.219 -8.313 12.271 1.00 0.00 C ATOM 764 NH1 ARG A 47 13.877 -9.162 11.509 1.00 0.00 N ATOM 765 NH2 ARG A 47 13.796 -7.883 13.365 1.00 0.00 N ATOM 0 H ARG A 47 8.900 -9.983 9.006 1.00 0.00 H new ATOM 0 HA ARG A 47 8.050 -7.373 10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.246 -8.281 8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.671 -6.627 8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.652 -6.723 9.568 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.273 -6.343 10.581 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.184 -8.714 11.349 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.563 -9.093 10.337 1.00 0.00 H new ATOM 0 HE ARG A 47 11.643 -7.141 12.605 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.450 -9.516 10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.814 -9.466 11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.308 -7.227 13.975 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.734 -8.204 13.607 1.00 0.00 H new ATOM 779 N PHE A 48 6.835 -6.586 8.024 1.00 0.00 N ATOM 780 CA PHE A 48 5.809 -6.263 7.034 1.00 0.00 C ATOM 781 C PHE A 48 6.147 -4.950 6.337 1.00 0.00 C ATOM 782 O PHE A 48 7.020 -4.214 6.788 1.00 0.00 O ATOM 783 CB PHE A 48 4.442 -6.154 7.726 1.00 0.00 C ATOM 784 CG PHE A 48 4.087 -7.438 8.441 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.606 -8.524 7.690 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.410 -7.613 9.803 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.515 -9.793 8.276 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.321 -8.888 10.390 1.00 0.00 C ATOM 789 CZ PHE A 48 3.920 -9.983 9.606 1.00 0.00 C ATOM 0 H PHE A 48 7.084 -5.804 8.629 1.00 0.00 H new ATOM 0 HA PHE A 48 5.772 -7.056 6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.457 -5.330 8.439 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.675 -5.922 6.987 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.307 -8.380 6.662 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.726 -6.767 10.396 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.133 -10.626 7.704 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.559 -9.024 11.435 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.924 -10.977 10.029 1.00 0.00 H new ATOM 799 N SER A 49 5.488 -4.682 5.209 1.00 0.00 N ATOM 800 CA SER A 49 5.801 -3.500 4.397 1.00 0.00 C ATOM 801 C SER A 49 4.690 -2.428 4.504 1.00 0.00 C ATOM 802 O SER A 49 4.727 -1.418 3.802 1.00 0.00 O ATOM 803 CB SER A 49 5.993 -3.918 2.927 1.00 0.00 C ATOM 804 OG SER A 49 4.817 -3.872 2.134 1.00 0.00 O ATOM 0 H SER A 49 4.737 -5.263 4.836 1.00 0.00 H new ATOM 0 HA SER A 49 6.723 -3.061 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.744 -3.270 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.391 -4.932 2.902 1.00 0.00 H new ATOM 0 HG SER A 49 4.740 -4.700 1.615 1.00 0.00 H new ATOM 810 N ARG A 50 3.722 -2.644 5.411 1.00 0.00 N ATOM 811 CA ARG A 50 2.655 -1.663 5.658 1.00 0.00 C ATOM 812 C ARG A 50 1.956 -1.941 6.993 1.00 0.00 C ATOM 813 O ARG A 50 1.912 -3.086 7.460 1.00 0.00 O ATOM 814 CB ARG A 50 1.630 -1.714 4.511 1.00 0.00 C ATOM 815 CG ARG A 50 0.671 -0.512 4.458 1.00 0.00 C ATOM 816 CD ARG A 50 0.074 -0.346 3.055 1.00 0.00 C ATOM 817 NE ARG A 50 -0.456 -1.622 2.528 1.00 0.00 N ATOM 818 CZ ARG A 50 -0.079 -2.246 1.416 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.772 -1.728 0.574 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.522 -3.445 1.166 1.00 0.00 N ATOM 0 H ARG A 50 3.658 -3.486 5.983 1.00 0.00 H new ATOM 0 HA ARG A 50 3.102 -0.670 5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.166 -1.777 3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.043 -2.627 4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.130 -0.649 5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.204 0.396 4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.725 0.394 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.838 0.037 2.378 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.189 -2.072 3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.176 -0.809 0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.034 -2.242 -0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.156 -3.902 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.235 -3.927 0.314 1.00 0.00 H new ATOM 834 N SER A 51 1.360 -0.892 7.576 1.00 0.00 N ATOM 835 CA SER A 51 0.620 -1.017 8.837 1.00 0.00 C ATOM 836 C SER A 51 -0.564 -1.978 8.683 1.00 0.00 C ATOM 837 O SER A 51 -0.921 -2.681 9.619 1.00 0.00 O ATOM 838 CB SER A 51 0.109 0.358 9.285 1.00 0.00 C ATOM 839 OG SER A 51 -0.776 0.911 8.331 1.00 0.00 O ATOM 0 H SER A 51 1.377 0.053 7.193 1.00 0.00 H new ATOM 0 HA SER A 51 1.299 -1.417 9.590 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.399 0.265 10.245 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.953 1.031 9.435 1.00 0.00 H new ATOM 0 HG SER A 51 -1.088 1.786 8.643 1.00 0.00 H new ATOM 845 N ASP A 52 -1.152 -2.021 7.478 1.00 0.00 N ATOM 846 CA ASP A 52 -2.283 -2.902 7.195 1.00 0.00 C ATOM 847 C ASP A 52 -1.863 -4.376 7.260 1.00 0.00 C ATOM 848 O ASP A 52 -2.550 -5.195 7.859 1.00 0.00 O ATOM 849 CB ASP A 52 -2.831 -2.588 5.799 1.00 0.00 C ATOM 850 CG ASP A 52 -4.063 -3.417 5.425 1.00 0.00 C ATOM 851 OD1 ASP A 52 -4.917 -3.635 6.315 1.00 0.00 O ATOM 852 OD2 ASP A 52 -4.116 -3.853 4.253 1.00 0.00 O ATOM 0 H ASP A 52 -0.858 -1.452 6.685 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.053 -2.731 7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.086 -1.529 5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.047 -2.764 5.062 1.00 0.00 H new ATOM 857 N GLN A 53 -0.692 -4.687 6.690 1.00 0.00 N ATOM 858 CA GLN A 53 -0.146 -6.045 6.720 1.00 0.00 C ATOM 859 C GLN A 53 0.201 -6.452 8.149 1.00 0.00 C ATOM 860 O GLN A 53 -0.086 -7.566 8.571 1.00 0.00 O ATOM 861 CB GLN A 53 1.108 -6.117 5.857 1.00 0.00 C ATOM 862 CG GLN A 53 0.902 -5.911 4.358 1.00 0.00 C ATOM 863 CD GLN A 53 2.233 -5.504 3.737 1.00 0.00 C ATOM 864 OE1 GLN A 53 3.289 -6.026 4.071 1.00 0.00 O ATOM 865 NE2 GLN A 53 2.226 -4.564 2.817 1.00 0.00 N ATOM 0 H GLN A 53 -0.104 -4.012 6.201 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.900 -6.728 6.330 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.814 -5.366 6.213 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.574 -7.090 6.009 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.534 -6.828 3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.151 -5.141 4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.346 -4.129 2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.100 -4.270 2.382 1.00 0.00 H new ATOM 874 N LEU A 54 0.819 -5.529 8.891 1.00 0.00 N ATOM 875 CA LEU A 54 1.186 -5.769 10.285 1.00 0.00 C ATOM 876 C LEU A 54 -0.079 -5.984 11.161 1.00 0.00 C ATOM 877 O LEU A 54 -0.158 -6.951 11.917 1.00 0.00 O ATOM 878 CB LEU A 54 2.001 -4.567 10.808 1.00 0.00 C ATOM 879 CG LEU A 54 2.260 -4.482 12.318 1.00 0.00 C ATOM 880 CD1 LEU A 54 2.868 -5.771 12.848 1.00 0.00 C ATOM 881 CD2 LEU A 54 3.224 -3.328 12.631 1.00 0.00 C ATOM 0 H LEU A 54 1.076 -4.604 8.545 1.00 0.00 H new ATOM 0 HA LEU A 54 1.791 -6.674 10.343 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.966 -4.571 10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.486 -3.655 10.504 1.00 0.00 H new ATOM 0 HG LEU A 54 1.298 -4.312 12.802 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.039 -5.678 13.920 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.185 -6.600 12.660 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.816 -5.960 12.344 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.398 -3.281 13.706 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.171 -3.495 12.117 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.788 -2.388 12.292 1.00 0.00 H new ATOM 893 N LYS A 55 -1.074 -5.091 11.022 1.00 0.00 N ATOM 894 CA LYS A 55 -2.345 -5.210 11.769 1.00 0.00 C ATOM 895 C LYS A 55 -3.098 -6.484 11.369 1.00 0.00 C ATOM 896 O LYS A 55 -3.620 -7.195 12.225 1.00 0.00 O ATOM 897 CB LYS A 55 -3.229 -3.978 11.503 1.00 0.00 C ATOM 898 CG LYS A 55 -2.713 -2.754 12.282 1.00 0.00 C ATOM 899 CD LYS A 55 -3.447 -1.459 11.912 1.00 0.00 C ATOM 900 CE LYS A 55 -4.903 -1.481 12.385 1.00 0.00 C ATOM 901 NZ LYS A 55 -5.593 -0.221 12.054 1.00 0.00 N ATOM 0 H LYS A 55 -1.026 -4.282 10.403 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.112 -5.266 12.832 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.240 -3.757 10.436 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.257 -4.193 11.795 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.824 -2.936 13.351 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.647 -2.630 12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.932 -0.608 12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.417 -1.319 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.426 -2.317 11.921 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.935 -1.644 13.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.577 -0.266 12.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.107 0.573 12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.582 -0.080 11.024 1.00 0.00 H new ATOM 915 N ARG A 56 -3.086 -6.806 10.066 1.00 0.00 N ATOM 916 CA ARG A 56 -3.600 -8.093 9.581 1.00 0.00 C ATOM 917 C ARG A 56 -2.863 -9.250 10.267 1.00 0.00 C ATOM 918 O ARG A 56 -3.488 -10.164 10.795 1.00 0.00 O ATOM 919 CB ARG A 56 -3.424 -8.186 8.048 1.00 0.00 C ATOM 920 CG ARG A 56 -3.745 -9.550 7.402 1.00 0.00 C ATOM 921 CD ARG A 56 -2.796 -9.860 6.233 1.00 0.00 C ATOM 922 NE ARG A 56 -3.199 -9.221 4.966 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.509 -9.269 3.829 1.00 0.00 C ATOM 924 NH1 ARG A 56 -1.285 -9.748 3.789 1.00 0.00 N ATOM 925 NH2 ARG A 56 -3.032 -8.848 2.703 1.00 0.00 N ATOM 0 H ARG A 56 -2.727 -6.194 9.333 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.661 -8.163 9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.059 -7.431 7.585 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.393 -7.928 7.806 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.667 -10.336 8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.775 -9.551 7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.790 -9.530 6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.750 -10.939 6.088 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.076 -8.701 4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.844 -10.093 4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.776 -9.774 2.905 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.982 -8.476 2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.489 -8.892 1.841 1.00 0.00 H new ATOM 939 N HIS A 57 -1.530 -9.164 10.307 1.00 0.00 N ATOM 940 CA HIS A 57 -0.702 -10.223 10.878 1.00 0.00 C ATOM 941 C HIS A 57 -1.034 -10.447 12.365 1.00 0.00 C ATOM 942 O HIS A 57 -1.111 -11.584 12.818 1.00 0.00 O ATOM 943 CB HIS A 57 0.784 -9.865 10.727 1.00 0.00 C ATOM 944 CG HIS A 57 1.646 -10.921 11.365 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.442 -10.763 12.466 1.00 0.00 N flip ATOM 946 CD2 HIS A 57 1.684 -12.250 11.005 1.00 0.00 C flip ATOM 947 CE1 HIS A 57 2.944 -12.024 12.795 1.00 0.00 C flip ATOM 948 NE2 HIS A 57 2.472 -12.884 11.889 1.00 0.00 N flip ATOM 0 H HIS A 57 -1.003 -8.368 9.949 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.912 -11.146 10.337 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.036 -9.770 9.671 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.980 -8.898 11.190 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.633 -9.888 12.955 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.174 -12.700 10.166 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.592 -12.259 13.626 1.00 0.00 H new ATOM 956 N GLN A 58 -1.309 -9.359 13.096 1.00 0.00 N ATOM 957 CA GLN A 58 -1.714 -9.456 14.507 1.00 0.00 C ATOM 958 C GLN A 58 -2.916 -10.415 14.676 1.00 0.00 C ATOM 959 O GLN A 58 -2.983 -11.165 15.651 1.00 0.00 O ATOM 960 CB GLN A 58 -2.062 -8.063 15.073 1.00 0.00 C ATOM 961 CG GLN A 58 -0.840 -7.134 15.253 1.00 0.00 C ATOM 962 CD GLN A 58 0.394 -7.881 15.761 1.00 0.00 C ATOM 963 OE1 GLN A 58 1.364 -8.118 14.901 1.00 0.00 O flip ATOM 964 NE2 GLN A 58 0.465 -8.285 16.912 1.00 0.00 N flip ATOM 0 H GLN A 58 -1.259 -8.405 12.737 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.871 -9.860 15.067 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.778 -7.580 14.407 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.556 -8.187 16.037 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.606 -6.658 14.301 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.093 -6.338 15.953 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.293 -8.094 17.567 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.282 -8.813 17.218 1.00 0.00 H new ATOM 973 N ARG A 59 -3.867 -10.383 13.720 1.00 0.00 N ATOM 974 CA ARG A 59 -5.055 -11.264 13.778 1.00 0.00 C ATOM 975 C ARG A 59 -4.640 -12.755 13.887 1.00 0.00 C ATOM 976 O ARG A 59 -5.297 -13.532 14.578 1.00 0.00 O ATOM 977 CB ARG A 59 -5.945 -11.050 12.541 1.00 0.00 C ATOM 978 CG ARG A 59 -6.445 -9.589 12.536 1.00 0.00 C ATOM 979 CD ARG A 59 -7.760 -9.379 11.779 1.00 0.00 C ATOM 980 NE ARG A 59 -7.585 -9.447 10.325 1.00 0.00 N ATOM 981 CZ ARG A 59 -7.318 -8.456 9.487 1.00 0.00 C ATOM 982 NH1 ARG A 59 -7.090 -7.222 9.881 1.00 0.00 N ATOM 983 NH2 ARG A 59 -7.286 -8.718 8.203 1.00 0.00 N ATOM 0 H ARG A 59 -3.839 -9.766 12.908 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.623 -11.002 14.671 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.383 -11.260 11.631 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.790 -11.738 12.560 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.575 -9.257 13.566 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.677 -8.955 12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.480 -10.135 12.091 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.179 -8.409 12.047 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.681 -10.372 9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.114 -6.991 10.874 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.889 -6.496 9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.464 -9.666 7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.083 -7.974 7.536 1.00 0.00 H new ATOM 997 N ARG A 60 -3.504 -13.119 13.257 1.00 0.00 N ATOM 998 CA ARG A 60 -2.951 -14.494 13.358 1.00 0.00 C ATOM 999 C ARG A 60 -2.520 -14.817 14.805 1.00 0.00 C ATOM 1000 O ARG A 60 -2.691 -15.941 15.267 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.735 -14.645 12.412 1.00 0.00 C ATOM 1002 CG ARG A 60 -1.076 -16.035 12.428 1.00 0.00 C ATOM 1003 CD ARG A 60 0.252 -16.020 11.655 1.00 0.00 C ATOM 1004 NE ARG A 60 0.879 -17.353 11.643 1.00 0.00 N ATOM 1005 CZ ARG A 60 1.866 -17.782 10.860 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.405 -17.052 9.906 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.334 -18.999 11.017 1.00 0.00 N ATOM 0 H ARG A 60 -2.952 -12.488 12.676 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.734 -15.194 13.066 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.054 -14.421 11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.987 -13.900 12.683 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.899 -16.346 13.457 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.751 -16.767 11.985 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.076 -15.689 10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.932 -15.300 12.110 1.00 0.00 H new ATOM 0 HE ARG A 60 0.513 -18.028 12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.068 -16.104 9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.160 -17.434 9.336 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.941 -19.608 11.735 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.090 -19.335 10.421 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.936 -13.825 15.498 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.414 -14.031 16.863 1.00 0.00 C ATOM 1023 C HIS A 61 -2.531 -13.918 17.904 1.00 0.00 C ATOM 1024 O HIS A 61 -2.472 -14.552 18.955 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.325 -12.990 17.171 1.00 0.00 C ATOM 1026 CG HIS A 61 1.042 -13.404 16.713 1.00 0.00 C ATOM 1027 ND1 HIS A 61 1.737 -14.495 17.185 1.00 0.00 N ATOM 1028 CD2 HIS A 61 1.865 -12.707 15.871 1.00 0.00 C ATOM 1029 CE1 HIS A 61 2.964 -14.452 16.642 1.00 0.00 C ATOM 1030 NE2 HIS A 61 3.086 -13.384 15.845 1.00 0.00 N ATOM 0 H HIS A 61 -1.813 -12.878 15.140 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.991 -15.034 16.913 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.590 -12.046 16.694 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.300 -12.808 18.245 1.00 0.00 H new ATOM 0 HD1 HIS A 61 1.385 -15.204 17.828 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.618 -11.806 15.330 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.743 -15.178 16.823 1.00 0.00 H new ATOM 1038 N THR A 62 -3.530 -13.083 17.614 1.00 0.00 N ATOM 1039 CA THR A 62 -4.641 -12.844 18.541 1.00 0.00 C ATOM 1040 C THR A 62 -5.705 -13.944 18.417 1.00 0.00 C ATOM 1041 O THR A 62 -6.271 -14.373 19.420 1.00 0.00 O ATOM 1042 CB THR A 62 -5.297 -11.483 18.276 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.533 -11.312 16.911 1.00 0.00 O ATOM 1044 CG2 THR A 62 -4.387 -10.323 18.682 1.00 0.00 C ATOM 0 H THR A 62 -3.594 -12.558 16.742 1.00 0.00 H new ATOM 0 HA THR A 62 -4.228 -12.853 19.549 1.00 0.00 H new ATOM 0 HB THR A 62 -6.218 -11.476 18.858 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.689 -11.111 16.456 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.890 -9.378 18.478 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.162 -10.392 19.746 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.459 -10.371 18.112 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.971 -14.405 17.175 1.00 0.00 N ATOM 1053 CA GLY A 63 -6.924 -15.504 16.952 1.00 0.00 C ATOM 1054 C GLY A 63 -8.277 -15.013 16.398 1.00 0.00 C ATOM 1055 O GLY A 63 -9.177 -15.815 16.150 1.00 0.00 O ATOM 0 H GLY A 63 -5.544 -14.036 16.325 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.489 -16.221 16.256 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.090 -16.032 17.891 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.419 -13.687 16.236 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.702 -13.084 15.828 1.00 0.00 C ATOM 1061 C VAL A 64 -9.984 -13.328 14.333 1.00 0.00 C ATOM 1062 O VAL A 64 -9.080 -13.272 13.497 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.694 -11.564 16.115 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -9.501 -11.289 17.613 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -8.661 -10.754 15.324 1.00 0.00 C ATOM 0 H VAL A 64 -7.666 -13.014 16.380 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.493 -13.559 16.409 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.673 -11.225 15.777 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.499 -10.213 17.788 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.315 -11.747 18.175 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.551 -11.712 17.941 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.737 -9.702 15.597 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.660 -11.117 15.555 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.851 -10.866 14.257 1.00 0.00 H new ATOM 1075 N LYS A 65 -11.271 -13.527 14.008 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.726 -13.671 12.613 1.00 0.00 C ATOM 1077 C LYS A 65 -12.983 -12.803 12.378 1.00 0.00 C ATOM 1078 O LYS A 65 -14.108 -13.271 12.546 1.00 0.00 O ATOM 1079 CB LYS A 65 -12.041 -15.152 12.312 1.00 0.00 C ATOM 1080 CG LYS A 65 -10.797 -16.047 12.384 1.00 0.00 C ATOM 1081 CD LYS A 65 -11.133 -17.512 12.067 1.00 0.00 C ATOM 1082 CE LYS A 65 -9.901 -18.411 12.231 1.00 0.00 C ATOM 1083 NZ LYS A 65 -9.474 -18.510 13.644 1.00 0.00 N ATOM 0 H LYS A 65 -12.021 -13.592 14.697 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.934 -13.336 11.943 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.785 -15.513 13.022 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.484 -15.231 11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.047 -15.685 11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.358 -15.981 13.380 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.929 -17.857 12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.510 -17.589 11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.125 -19.407 11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.081 -18.016 11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.776 -19.275 13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.046 -17.610 13.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.299 -18.715 14.243 1.00 0.00 H new ATOM 1097 N PRO A 66 -12.789 -11.494 12.093 1.00 0.00 N ATOM 1098 CA PRO A 66 -13.886 -10.519 12.069 1.00 0.00 C ATOM 1099 C PRO A 66 -14.767 -10.604 10.801 1.00 0.00 C ATOM 1100 O PRO A 66 -15.863 -10.049 10.775 1.00 0.00 O ATOM 1101 CB PRO A 66 -13.167 -9.164 12.136 1.00 0.00 C ATOM 1102 CG PRO A 66 -11.797 -9.417 11.513 1.00 0.00 C ATOM 1103 CD PRO A 66 -11.491 -10.850 11.935 1.00 0.00 C ATOM 0 HA PRO A 66 -14.583 -10.695 12.889 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.715 -8.398 11.588 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.075 -8.816 13.165 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.821 -9.311 10.428 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.048 -8.718 11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.888 -11.360 11.184 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.925 -10.873 12.867 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.283 -11.291 9.755 1.00 0.00 N ATOM 1112 CA PHE A 67 -15.040 -11.398 8.492 1.00 0.00 C ATOM 1113 C PHE A 67 -15.918 -12.662 8.495 1.00 0.00 C ATOM 1114 O PHE A 67 -15.434 -13.746 8.250 1.00 0.00 O ATOM 1115 CB PHE A 67 -14.063 -11.431 7.300 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.174 -10.202 7.246 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.666 -8.996 6.714 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -11.875 -10.245 7.783 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -12.862 -7.843 6.718 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -11.062 -9.098 7.770 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.556 -7.895 7.238 1.00 0.00 C ATOM 0 H PHE A 67 -13.385 -11.775 9.754 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.690 -10.528 8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.441 -12.323 7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.629 -11.508 6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.663 -8.956 6.302 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.500 -11.164 8.208 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.248 -6.916 6.321 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.059 -9.142 8.168 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.934 -7.012 7.228 1.00 0.00 H new ATOM 1131 N GLN A 68 -17.218 -12.501 8.761 1.00 0.00 N ATOM 1132 CA GLN A 68 -18.148 -13.653 8.850 1.00 0.00 C ATOM 1133 C GLN A 68 -19.044 -13.730 7.617 1.00 0.00 C ATOM 1134 O GLN A 68 -19.606 -12.719 7.179 1.00 0.00 O ATOM 1135 CB GLN A 68 -19.010 -13.523 10.115 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.782 -14.812 10.428 1.00 0.00 C ATOM 1137 CD GLN A 68 -20.308 -14.869 11.861 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -20.400 -13.884 12.576 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -20.626 -16.048 12.355 1.00 0.00 N ATOM 0 H GLN A 68 -17.657 -11.594 8.919 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.559 -14.569 8.900 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.373 -13.269 10.962 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.715 -12.701 9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.620 -14.902 9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.131 -15.669 10.253 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.555 -16.882 11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -20.943 -16.127 13.321 1.00 0.00 H new ATOM 1148 N CYS A 69 -19.197 -14.948 7.077 1.00 0.00 N ATOM 1149 CA CYS A 69 -20.075 -15.186 5.942 1.00 0.00 C ATOM 1150 C CYS A 69 -21.537 -14.913 6.325 1.00 0.00 C ATOM 1151 O CYS A 69 -21.939 -15.110 7.471 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.928 -16.635 5.451 1.00 0.00 C ATOM 1153 SG CYS A 69 -21.014 -16.930 4.013 1.00 0.00 S ATOM 0 H CYS A 69 -18.718 -15.782 7.416 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.789 -14.506 5.139 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.891 -16.830 5.178 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -20.182 -17.326 6.255 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.315 -16.859 2.919 1.00 0.00 H new ATOM 1158 N LYS A 70 -22.321 -14.452 5.352 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.757 -14.201 5.556 1.00 0.00 C ATOM 1160 C LYS A 70 -24.591 -15.422 5.126 1.00 0.00 C ATOM 1161 O LYS A 70 -25.809 -15.440 5.299 1.00 0.00 O ATOM 1162 CB LYS A 70 -24.190 -12.959 4.754 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.262 -11.739 4.953 1.00 0.00 C ATOM 1164 CD LYS A 70 -23.065 -11.312 6.422 1.00 0.00 C ATOM 1165 CE LYS A 70 -21.887 -10.348 6.589 1.00 0.00 C ATOM 1166 NZ LYS A 70 -22.104 -9.071 5.880 1.00 0.00 N ATOM 0 H LYS A 70 -21.990 -14.243 4.410 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.930 -14.023 6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.220 -13.213 3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -25.204 -12.685 5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -22.287 -11.967 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -23.669 -10.896 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -23.976 -10.837 6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -22.899 -12.197 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.730 -10.150 7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.978 -10.819 6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.289 -8.445 6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -22.211 -9.253 4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -22.965 -8.615 6.243 1.00 0.00 H new ATOM 1180 N THR A 71 -23.911 -16.450 4.602 1.00 0.00 N ATOM 1181 CA THR A 71 -24.569 -17.661 4.095 1.00 0.00 C ATOM 1182 C THR A 71 -24.338 -18.845 5.049 1.00 0.00 C ATOM 1183 O THR A 71 -25.263 -19.274 5.741 1.00 0.00 O ATOM 1184 CB THR A 71 -24.035 -18.035 2.685 1.00 0.00 C ATOM 1185 OG1 THR A 71 -23.170 -17.054 2.145 1.00 0.00 O ATOM 1186 CG2 THR A 71 -25.180 -18.210 1.692 1.00 0.00 C ATOM 0 H THR A 71 -22.895 -16.466 4.518 1.00 0.00 H new ATOM 0 HA THR A 71 -25.636 -17.450 4.029 1.00 0.00 H new ATOM 0 HB THR A 71 -23.486 -18.966 2.827 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.342 -17.023 2.669 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.776 -18.471 0.714 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.842 -19.005 2.036 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.741 -17.279 1.616 1.00 0.00 H new ATOM 1194 N CYS A 72 -23.087 -19.341 5.111 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.741 -20.462 5.995 1.00 0.00 C ATOM 1196 C CYS A 72 -22.448 -19.971 7.430 1.00 0.00 C ATOM 1197 O CYS A 72 -22.428 -20.768 8.367 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.520 -21.199 5.444 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.072 -20.132 5.505 1.00 0.00 S ATOM 0 H CYS A 72 -22.306 -18.983 4.561 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.593 -21.140 6.033 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -21.339 -22.104 6.025 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -21.708 -21.512 4.417 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.299 -19.053 4.816 1.00 0.00 H new ATOM 1204 N GLN A 73 -22.217 -18.643 7.578 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.952 -18.009 8.898 1.00 0.00 C ATOM 1206 C GLN A 73 -20.501 -18.289 9.381 1.00 0.00 C ATOM 1207 O GLN A 73 -20.175 -18.056 10.549 1.00 0.00 O ATOM 1208 CB GLN A 73 -22.973 -18.495 9.965 1.00 0.00 C ATOM 1209 CG GLN A 73 -24.458 -18.511 9.537 1.00 0.00 C ATOM 1210 CD GLN A 73 -24.941 -17.212 8.890 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -24.899 -16.144 9.483 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -25.438 -17.267 7.667 1.00 0.00 N ATOM 0 H GLN A 73 -22.209 -17.986 6.797 1.00 0.00 H new ATOM 0 HA GLN A 73 -22.067 -16.933 8.769 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.694 -19.504 10.270 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -22.878 -17.858 10.844 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -24.613 -19.332 8.837 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -25.074 -18.718 10.412 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -25.474 -18.157 7.171 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.786 -16.419 7.219 1.00 0.00 H new ATOM 1221 N ARG A 74 -19.638 -18.781 8.470 1.00 0.00 N ATOM 1222 CA ARG A 74 -18.252 -19.120 8.816 1.00 0.00 C ATOM 1223 C ARG A 74 -17.387 -17.872 8.877 1.00 0.00 C ATOM 1224 O ARG A 74 -17.555 -16.952 8.081 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.677 -20.098 7.775 1.00 0.00 C ATOM 1226 CG ARG A 74 -16.338 -20.712 8.210 1.00 0.00 C ATOM 1227 CD ARG A 74 -15.819 -21.701 7.159 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.641 -22.453 7.634 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.406 -21.999 7.815 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.079 -20.739 7.638 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.454 -22.832 8.172 1.00 0.00 N ATOM 0 H ARG A 74 -19.880 -18.950 7.494 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.250 -19.590 9.799 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.397 -20.897 7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.541 -19.575 6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.604 -19.921 8.364 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.461 -21.222 9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.613 -22.400 6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.559 -21.159 6.250 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.794 -23.438 7.849 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.787 -20.064 7.350 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.117 -20.436 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.666 -23.820 8.308 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.503 -22.490 8.313 1.00 0.00 H new ATOM 1245 N LYS A 75 -16.461 -17.837 9.844 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.622 -16.663 10.065 1.00 0.00 C ATOM 1247 C LYS A 75 -14.247 -16.819 9.389 1.00 0.00 C ATOM 1248 O LYS A 75 -13.684 -17.913 9.332 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.435 -16.433 11.573 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.743 -15.971 12.234 1.00 0.00 C ATOM 1251 CD LYS A 75 -16.548 -15.616 13.712 1.00 0.00 C ATOM 1252 CE LYS A 75 -17.852 -15.047 14.281 1.00 0.00 C ATOM 1253 NZ LYS A 75 -17.702 -14.672 15.702 1.00 0.00 N ATOM 0 H LYS A 75 -16.278 -18.611 10.483 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.122 -15.803 9.620 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.093 -17.355 12.044 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.659 -15.685 11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.131 -15.103 11.701 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.491 -16.759 12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.251 -16.502 14.273 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.745 -14.887 13.818 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.153 -14.173 13.702 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.647 -15.785 14.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.602 -14.290 16.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.439 -15.511 16.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.959 -13.950 15.794 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.712 -15.691 8.932 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.408 -15.610 8.291 1.00 0.00 C ATOM 1269 C PHE A 76 -11.648 -14.380 8.808 1.00 0.00 C ATOM 1270 O PHE A 76 -12.246 -13.464 9.390 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.585 -15.493 6.759 1.00 0.00 C ATOM 1272 CG PHE A 76 -13.399 -16.590 6.107 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.788 -17.812 5.767 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.774 -16.395 5.870 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -13.557 -18.853 5.218 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -15.548 -17.451 5.360 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.940 -18.678 5.042 1.00 0.00 C ATOM 0 H PHE A 76 -14.185 -14.790 8.999 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.842 -16.512 8.525 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.057 -14.536 6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.598 -15.476 6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.729 -17.950 5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -15.231 -15.439 6.079 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.087 -19.783 4.933 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.610 -17.320 5.212 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.540 -19.491 4.660 1.00 0.00 H new ATOM 1287 N SER A 77 -10.331 -14.368 8.606 1.00 0.00 N ATOM 1288 CA SER A 77 -9.477 -13.315 9.160 1.00 0.00 C ATOM 1289 C SER A 77 -9.077 -12.281 8.092 1.00 0.00 C ATOM 1290 O SER A 77 -8.416 -11.294 8.409 1.00 0.00 O ATOM 1291 CB SER A 77 -8.209 -13.941 9.762 1.00 0.00 C ATOM 1292 OG SER A 77 -7.569 -14.736 8.775 1.00 0.00 O ATOM 0 H SER A 77 -9.832 -15.073 8.064 1.00 0.00 H new ATOM 0 HA SER A 77 -10.047 -12.799 9.933 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.534 -13.160 10.111 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.466 -14.551 10.628 1.00 0.00 H new ATOM 0 HG SER A 77 -6.758 -15.137 9.153 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.491 -12.502 6.828 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.137 -11.584 5.727 1.00 0.00 C ATOM 1300 C ARG A 78 -10.324 -11.349 4.786 1.00 0.00 C ATOM 1301 O ARG A 78 -10.936 -12.295 4.287 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.950 -12.147 4.927 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.710 -12.468 5.778 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.395 -12.148 5.070 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.209 -12.878 3.809 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.052 -13.004 3.172 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.953 -12.496 3.669 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -3.985 -13.626 2.020 1.00 0.00 N ATOM 0 H ARG A 78 -10.064 -13.298 6.546 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.859 -10.628 6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.270 -13.054 4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.672 -11.427 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.760 -11.904 6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.724 -13.525 6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.352 -11.078 4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.567 -12.380 5.739 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.029 -13.320 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.979 -11.995 4.557 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.071 -12.601 3.168 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.829 -14.020 1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.089 -13.716 1.540 1.00 0.00 H new ATOM 1322 N SER A 79 -10.612 -10.069 4.530 1.00 0.00 N ATOM 1323 CA SER A 79 -11.675 -9.662 3.588 1.00 0.00 C ATOM 1324 C SER A 79 -11.518 -10.376 2.230 1.00 0.00 C ATOM 1325 O SER A 79 -12.491 -10.851 1.658 1.00 0.00 O ATOM 1326 CB SER A 79 -11.633 -8.141 3.377 1.00 0.00 C ATOM 1327 OG SER A 79 -10.325 -7.704 3.055 1.00 0.00 O ATOM 0 H SER A 79 -10.122 -9.286 4.963 1.00 0.00 H new ATOM 0 HA SER A 79 -12.635 -9.947 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.319 -7.863 2.577 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.976 -7.636 4.280 1.00 0.00 H new ATOM 0 HG SER A 79 -10.327 -6.733 2.924 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.276 -10.440 1.727 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.983 -11.082 0.428 1.00 0.00 C ATOM 1335 C ASP A 80 -10.343 -12.606 0.447 1.00 0.00 C ATOM 1336 O ASP A 80 -10.827 -13.149 -0.550 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.494 -10.890 0.080 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.468 -11.153 1.189 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.510 -12.243 1.798 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.644 -10.237 1.413 1.00 0.00 O ATOM 0 H ASP A 80 -9.456 -10.056 2.197 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.600 -10.607 -0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.258 -11.544 -0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.359 -9.866 -0.267 1.00 0.00 H new ATOM 1345 N HIS A 81 -10.147 -13.256 1.604 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.489 -14.686 1.768 1.00 0.00 C ATOM 1347 C HIS A 81 -11.995 -14.877 1.935 1.00 0.00 C ATOM 1348 O HIS A 81 -12.550 -15.846 1.437 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.767 -15.274 2.980 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.294 -15.451 2.799 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.440 -15.698 3.833 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.558 -15.361 1.646 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.207 -15.742 3.320 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.218 -15.499 2.003 1.00 0.00 N ATOM 0 H HIS A 81 -9.755 -12.821 2.439 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.167 -15.207 0.866 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.939 -14.626 3.839 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.210 -16.241 3.217 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.694 -15.825 4.813 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.944 -15.211 0.649 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.316 -15.947 3.894 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.661 -13.928 2.608 1.00 0.00 N ATOM 1363 CA LEU A 82 -14.122 -13.958 2.726 1.00 0.00 C ATOM 1364 C LEU A 82 -14.776 -13.699 1.359 1.00 0.00 C ATOM 1365 O LEU A 82 -15.690 -14.412 0.961 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.598 -12.909 3.743 1.00 0.00 C ATOM 1367 CG LEU A 82 -16.144 -12.938 3.866 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.591 -12.725 5.303 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.858 -11.876 3.016 1.00 0.00 C ATOM 0 H LEU A 82 -12.215 -13.138 3.074 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.419 -14.947 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -14.146 -13.104 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.270 -11.917 3.432 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.421 -13.927 3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.680 -12.751 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.180 -13.514 5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.235 -11.757 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.935 -11.961 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.530 -10.883 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.616 -12.029 1.964 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.263 -12.698 0.629 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.722 -12.406 -0.743 1.00 0.00 C ATOM 1383 C LYS A 83 -14.433 -13.593 -1.675 1.00 0.00 C ATOM 1384 O LYS A 83 -15.214 -13.887 -2.571 1.00 0.00 O ATOM 1385 CB LYS A 83 -14.008 -11.146 -1.268 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.451 -10.690 -2.667 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.684 -9.423 -3.081 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.059 -8.959 -4.493 1.00 0.00 C ATOM 1389 NZ LYS A 83 -15.439 -8.437 -4.554 1.00 0.00 N ATOM 0 H LYS A 83 -13.529 -12.074 0.964 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.798 -12.236 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.177 -10.330 -0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.935 -11.335 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.271 -11.485 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.523 -10.492 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.893 -8.624 -2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.612 -9.617 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.364 -8.185 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.955 -9.792 -5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.641 -8.103 -5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.108 -9.193 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.541 -7.647 -3.885 1.00 0.00 H new ATOM 1403 N THR A 84 -13.320 -14.287 -1.426 1.00 0.00 N ATOM 1404 CA THR A 84 -12.974 -15.496 -2.182 1.00 0.00 C ATOM 1405 C THR A 84 -13.937 -16.647 -1.835 1.00 0.00 C ATOM 1406 O THR A 84 -14.589 -17.207 -2.718 1.00 0.00 O ATOM 1407 CB THR A 84 -11.538 -15.935 -1.849 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.645 -14.962 -2.336 1.00 0.00 O ATOM 1409 CG2 THR A 84 -11.080 -17.289 -2.360 1.00 0.00 C ATOM 0 H THR A 84 -12.642 -14.034 -0.707 1.00 0.00 H new ATOM 0 HA THR A 84 -13.055 -15.264 -3.244 1.00 0.00 H new ATOM 0 HB THR A 84 -11.541 -16.037 -0.764 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.381 -14.365 -1.605 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.050 -17.465 -2.051 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.721 -18.069 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.140 -17.307 -3.448 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.132 -16.883 -0.529 1.00 0.00 N ATOM 1418 CA HIS A 85 -15.058 -17.913 -0.043 1.00 0.00 C ATOM 1419 C HIS A 85 -16.502 -17.599 -0.472 1.00 0.00 C ATOM 1420 O HIS A 85 -17.269 -18.503 -0.780 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.977 -17.994 1.489 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.203 -18.592 2.110 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.528 -19.931 2.193 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.273 -17.861 2.547 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.787 -19.999 2.661 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.264 -18.767 2.885 1.00 0.00 N ATOM 0 H HIS A 85 -13.656 -16.370 0.213 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.772 -18.871 -0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.107 -18.588 1.770 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.823 -16.993 1.893 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.333 -16.785 2.615 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.334 -20.914 2.832 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.192 -18.537 3.241 1.00 0.00 H new ATOM 1434 N THR A 86 -16.815 -16.310 -0.587 1.00 0.00 N ATOM 1435 CA THR A 86 -18.130 -15.846 -1.052 1.00 0.00 C ATOM 1436 C THR A 86 -18.477 -16.480 -2.406 1.00 0.00 C ATOM 1437 O THR A 86 -19.626 -16.877 -2.641 1.00 0.00 O ATOM 1438 CB THR A 86 -18.149 -14.312 -1.186 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.993 -13.744 0.093 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.389 -13.652 -1.764 1.00 0.00 C ATOM 0 H THR A 86 -16.168 -15.554 -0.362 1.00 0.00 H new ATOM 0 HA THR A 86 -18.872 -16.149 -0.313 1.00 0.00 H new ATOM 0 HB THR A 86 -17.345 -14.128 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.049 -13.777 0.353 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.246 -12.572 -1.792 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.561 -14.022 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.251 -13.888 -1.140 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.476 -16.577 -3.301 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.687 -17.135 -4.648 1.00 0.00 C ATOM 1450 C ARG A 87 -18.145 -18.611 -4.575 1.00 0.00 C ATOM 1451 O ARG A 87 -18.831 -19.091 -5.473 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.389 -17.042 -5.457 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.844 -15.609 -5.569 1.00 0.00 C ATOM 1454 CD ARG A 87 -14.608 -15.527 -6.466 1.00 0.00 C ATOM 1455 NE ARG A 87 -14.280 -14.127 -6.760 1.00 0.00 N ATOM 1456 CZ ARG A 87 -13.083 -13.564 -6.796 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -11.964 -14.247 -6.676 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -13.000 -12.267 -6.979 1.00 0.00 N ATOM 0 H ARG A 87 -16.519 -16.278 -3.116 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.470 -16.555 -5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.633 -17.675 -4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.564 -17.436 -6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -16.622 -14.957 -5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.594 -15.239 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -13.763 -16.010 -5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.789 -16.067 -7.395 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.070 -13.514 -6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.995 -15.259 -6.548 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.066 -13.765 -6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.849 -11.712 -7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.087 -11.814 -7.010 1.00 0.00 H new ATOM 1472 N THR A 88 -17.834 -19.285 -3.453 1.00 0.00 N ATOM 1473 CA THR A 88 -18.342 -20.656 -3.187 1.00 0.00 C ATOM 1474 C THR A 88 -19.871 -20.687 -3.218 1.00 0.00 C ATOM 1475 O THR A 88 -20.468 -21.609 -3.765 1.00 0.00 O ATOM 1476 CB THR A 88 -17.881 -21.162 -1.802 1.00 0.00 C ATOM 1477 OG1 THR A 88 -16.532 -20.869 -1.560 1.00 0.00 O ATOM 1478 CG2 THR A 88 -18.112 -22.656 -1.605 1.00 0.00 C ATOM 0 H THR A 88 -17.237 -18.911 -2.716 1.00 0.00 H new ATOM 0 HA THR A 88 -17.939 -21.300 -3.969 1.00 0.00 H new ATOM 0 HB THR A 88 -18.501 -20.626 -1.083 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.461 -19.997 -1.119 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.768 -22.950 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 88 -19.176 -22.875 -1.700 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.558 -23.213 -2.361 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.499 -19.665 -2.619 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.960 -19.581 -2.550 1.00 0.00 C ATOM 1488 C HIS A 89 -22.524 -18.808 -3.755 1.00 0.00 C ATOM 1489 O HIS A 89 -23.718 -18.877 -4.039 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.376 -18.879 -1.249 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.980 -19.604 0.016 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.349 -20.886 0.366 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -21.277 -19.077 1.067 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -21.886 -21.114 1.609 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.243 -20.037 2.081 1.00 0.00 N ATOM 0 H HIS A 89 -20.014 -18.885 -2.175 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.364 -20.593 -2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.935 -17.882 -1.233 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.458 -18.749 -1.253 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.829 -18.095 1.105 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -22.015 -22.039 2.152 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.813 -19.938 3.001 1.00 0.00 H new ATOM 1503 N THR A 90 -21.661 -18.030 -4.421 1.00 0.00 N ATOM 1504 CA THR A 90 -22.097 -17.090 -5.468 1.00 0.00 C ATOM 1505 C THR A 90 -21.901 -17.683 -6.883 1.00 0.00 C ATOM 1506 O THR A 90 -22.276 -17.063 -7.874 1.00 0.00 O ATOM 1507 CB THR A 90 -21.288 -15.776 -5.369 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.258 -15.343 -4.027 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.817 -14.583 -6.157 1.00 0.00 C ATOM 0 H THR A 90 -20.655 -18.031 -4.255 1.00 0.00 H new ATOM 0 HA THR A 90 -23.158 -16.897 -5.311 1.00 0.00 H new ATOM 0 HB THR A 90 -20.321 -16.049 -5.791 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.616 -15.885 -3.523 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.161 -13.726 -6.003 1.00 0.00 H new ATOM 0 HG22 THR A 90 -21.847 -14.832 -7.218 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.822 -14.337 -5.814 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.317 -18.894 -6.963 1.00 0.00 N ATOM 1518 CA GLY A 91 -21.043 -19.530 -8.272 1.00 0.00 C ATOM 1519 C GLY A 91 -20.098 -18.684 -9.158 1.00 0.00 C ATOM 1520 O GLY A 91 -20.017 -18.896 -10.368 1.00 0.00 O ATOM 0 H GLY A 91 -21.029 -19.445 -6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.600 -20.512 -8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.984 -19.689 -8.799 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.420 -17.706 -8.547 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.614 -16.734 -9.287 1.00 0.00 C ATOM 1526 C GLU A 92 -17.237 -17.325 -9.650 1.00 0.00 C ATOM 1527 O GLU A 92 -16.271 -17.181 -8.903 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.440 -15.459 -8.443 1.00 0.00 C ATOM 1529 CG GLU A 92 -17.729 -14.298 -9.154 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.647 -13.066 -8.245 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -18.721 -12.496 -7.950 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.513 -12.716 -7.841 1.00 0.00 O ATOM 0 H GLU A 92 -19.415 -17.568 -7.536 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.130 -16.486 -10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.424 -15.119 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.879 -15.712 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.725 -14.606 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.264 -14.044 -10.069 1.00 0.00 H new ATOM 1539 N LYS A 93 -17.169 -17.991 -10.811 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.911 -18.581 -11.305 1.00 0.00 C ATOM 1541 C LYS A 93 -15.481 -17.910 -12.629 1.00 0.00 C ATOM 1542 O LYS A 93 -15.806 -18.395 -13.711 1.00 0.00 O ATOM 1543 CB LYS A 93 -16.092 -20.097 -11.518 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.331 -20.851 -10.201 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.593 -22.340 -10.451 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.810 -23.068 -9.123 1.00 0.00 C ATOM 1547 NZ LYS A 93 -17.021 -24.514 -9.341 1.00 0.00 N ATOM 0 H LYS A 93 -17.969 -18.136 -11.427 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.132 -18.413 -10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.934 -20.269 -12.189 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -15.206 -20.500 -12.008 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.463 -20.736 -9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -17.181 -20.413 -9.678 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.469 -22.461 -11.088 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.750 -22.781 -10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -15.946 -22.916 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.672 -22.644 -8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -17.166 -24.986 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -17.859 -24.656 -9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -16.187 -24.920 -9.811 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.785 -16.750 -12.548 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.396 -15.985 -13.726 1.00 0.00 C ATOM 1563 C PRO A 94 -13.096 -16.500 -14.379 1.00 0.00 C ATOM 1564 O PRO A 94 -12.875 -16.293 -15.576 1.00 0.00 O ATOM 1565 CB PRO A 94 -14.197 -14.565 -13.180 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.695 -14.791 -11.751 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.437 -16.054 -11.316 1.00 0.00 C ATOM 0 HA PRO A 94 -15.146 -16.056 -14.514 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.475 -14.005 -13.774 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.128 -13.997 -13.192 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.614 -14.928 -11.721 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.927 -13.945 -11.104 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.810 -16.677 -10.678 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.329 -15.806 -10.741 1.00 0.00 H new ATOM 1575 N PHE A 95 -12.226 -17.155 -13.581 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.899 -17.587 -14.072 1.00 0.00 C ATOM 1577 C PHE A 95 -11.028 -18.814 -14.991 1.00 0.00 C ATOM 1578 O PHE A 95 -10.781 -19.943 -14.578 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.976 -17.910 -12.890 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.669 -16.720 -12.014 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.712 -15.768 -12.414 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.358 -16.557 -10.804 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.443 -14.652 -11.599 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.100 -15.434 -9.995 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.144 -14.483 -10.392 1.00 0.00 C ATOM 0 H PHE A 95 -12.414 -17.394 -12.607 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.466 -16.769 -14.649 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.438 -18.687 -12.282 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.041 -18.319 -13.273 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.183 -15.894 -13.347 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.086 -17.292 -10.493 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.700 -13.928 -11.900 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.638 -15.303 -9.068 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.948 -13.622 -9.770 1.00 0.00 H new ATOM 1595 N SER A 96 -11.425 -18.569 -16.240 1.00 0.00 N ATOM 1596 CA SER A 96 -11.608 -19.636 -17.234 1.00 0.00 C ATOM 1597 C SER A 96 -10.265 -20.046 -17.847 1.00 0.00 C ATOM 1598 O SER A 96 -9.383 -19.205 -18.045 1.00 0.00 O ATOM 1599 CB SER A 96 -12.548 -19.151 -18.346 1.00 0.00 C ATOM 1600 OG SER A 96 -13.720 -18.550 -17.815 1.00 0.00 O ATOM 0 H SER A 96 -11.628 -17.634 -16.593 1.00 0.00 H new ATOM 0 HA SER A 96 -12.042 -20.501 -16.733 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.025 -18.433 -18.978 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.826 -19.992 -18.981 1.00 0.00 H new ATOM 0 HG SER A 96 -14.133 -17.980 -18.497 1.00 0.00 H new ATOM 1606 N CYS A 97 -10.131 -21.337 -18.174 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.926 -21.855 -18.829 1.00 0.00 C ATOM 1608 C CYS A 97 -8.834 -21.362 -20.282 1.00 0.00 C ATOM 1609 O CYS A 97 -9.820 -20.888 -20.860 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.931 -23.392 -18.797 1.00 0.00 C ATOM 1611 SG CYS A 97 -7.345 -24.110 -19.283 1.00 0.00 S ATOM 0 H CYS A 97 -10.845 -22.043 -17.995 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.056 -21.485 -18.286 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -9.184 -23.729 -17.792 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.711 -23.762 -19.463 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.410 -23.214 -19.168 1.00 0.00 H new ATOM 1616 N ARG A 98 -7.622 -21.439 -20.844 1.00 0.00 N ATOM 1617 CA ARG A 98 -7.346 -20.950 -22.204 1.00 0.00 C ATOM 1618 C ARG A 98 -6.725 -22.055 -23.070 1.00 0.00 C ATOM 1619 O ARG A 98 -6.303 -21.802 -24.197 1.00 0.00 O ATOM 1620 CB ARG A 98 -6.388 -19.738 -22.142 1.00 0.00 C ATOM 1621 CG ARG A 98 -6.797 -18.625 -21.163 1.00 0.00 C ATOM 1622 CD ARG A 98 -8.137 -17.954 -21.501 1.00 0.00 C ATOM 1623 NE ARG A 98 -8.835 -17.589 -20.263 1.00 0.00 N ATOM 1624 CZ ARG A 98 -9.491 -16.486 -19.941 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -9.637 -15.466 -20.759 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -10.018 -16.416 -18.741 1.00 0.00 N ATOM 0 H ARG A 98 -6.809 -21.838 -20.375 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.291 -20.647 -22.656 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.395 -20.094 -21.867 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.307 -19.309 -23.141 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.856 -19.043 -20.158 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.016 -17.865 -21.147 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.966 -17.065 -22.109 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.754 -18.631 -22.092 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.811 -18.301 -19.533 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.234 -15.501 -21.695 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.153 -14.640 -20.457 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.915 -17.196 -18.092 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.531 -15.581 -18.457 1.00 0.00 H new ATOM 1640 N TRP A 99 -6.668 -23.281 -22.531 1.00 0.00 N ATOM 1641 CA TRP A 99 -6.130 -24.420 -23.267 1.00 0.00 C ATOM 1642 C TRP A 99 -7.021 -24.743 -24.491 1.00 0.00 C ATOM 1643 O TRP A 99 -8.232 -24.511 -24.468 1.00 0.00 O ATOM 1644 CB TRP A 99 -6.039 -25.644 -22.340 1.00 0.00 C ATOM 1645 CG TRP A 99 -4.775 -25.664 -21.523 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -4.412 -24.716 -20.628 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -3.673 -26.625 -21.543 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -3.181 -25.022 -20.088 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -2.668 -26.179 -20.631 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -3.409 -27.822 -22.246 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -1.460 -26.869 -20.439 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -2.206 -28.530 -22.052 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -1.231 -28.054 -21.158 1.00 0.00 C ATOM 0 H TRP A 99 -6.989 -23.503 -21.589 1.00 0.00 H new ATOM 0 HA TRP A 99 -5.132 -24.168 -23.624 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -6.899 -25.652 -21.671 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -6.093 -26.553 -22.939 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -5.001 -23.847 -20.374 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.710 -24.463 -19.377 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -4.141 -28.201 -22.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.718 -26.494 -19.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -2.031 -29.447 -22.595 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.308 -28.598 -21.024 1.00 0.00 H new ATOM 1664 N PRO A 100 -6.417 -25.273 -25.581 1.00 0.00 N ATOM 1665 CA PRO A 100 -7.115 -25.476 -26.865 1.00 0.00 C ATOM 1666 C PRO A 100 -8.152 -26.626 -26.824 1.00 0.00 C ATOM 1667 O PRO A 100 -8.652 -27.052 -27.863 1.00 0.00 O ATOM 1668 CB PRO A 100 -5.977 -25.801 -27.846 1.00 0.00 C ATOM 1669 CG PRO A 100 -4.880 -26.407 -26.971 1.00 0.00 C ATOM 1670 CD PRO A 100 -5.003 -25.604 -25.680 1.00 0.00 C ATOM 0 HA PRO A 100 -7.699 -24.599 -27.143 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.304 -26.501 -28.615 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.627 -24.905 -28.359 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -5.038 -27.472 -26.802 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.894 -26.299 -27.424 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.672 -26.185 -24.820 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.388 -24.705 -25.713 1.00 0.00 H new ATOM 1678 N SER A 101 -8.475 -27.103 -25.616 1.00 0.00 N ATOM 1679 CA SER A 101 -9.462 -28.172 -25.437 1.00 0.00 C ATOM 1680 C SER A 101 -10.184 -28.042 -24.073 1.00 0.00 C ATOM 1681 O SER A 101 -10.685 -29.035 -23.535 1.00 0.00 O ATOM 1682 CB SER A 101 -8.763 -29.540 -25.526 1.00 0.00 C ATOM 1683 OG SER A 101 -9.697 -30.581 -25.352 1.00 0.00 O ATOM 0 H SER A 101 -8.065 -26.764 -24.746 1.00 0.00 H new ATOM 0 HA SER A 101 -10.208 -28.086 -26.227 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.271 -29.642 -26.493 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.986 -29.609 -24.765 1.00 0.00 H new ATOM 0 HG SER A 101 -10.174 -30.454 -24.505 1.00 0.00 H new ATOM 1689 N CYS A 102 -10.217 -26.816 -23.516 1.00 0.00 N ATOM 1690 CA CYS A 102 -10.804 -26.583 -22.194 1.00 0.00 C ATOM 1691 C CYS A 102 -11.635 -25.291 -22.164 1.00 0.00 C ATOM 1692 O CYS A 102 -11.323 -24.315 -22.853 1.00 0.00 O ATOM 1693 CB CYS A 102 -9.697 -26.498 -21.148 1.00 0.00 C ATOM 1694 SG CYS A 102 -10.449 -26.412 -19.505 1.00 0.00 S ATOM 0 H CYS A 102 -9.844 -25.979 -23.963 1.00 0.00 H new ATOM 0 HA CYS A 102 -11.467 -27.419 -21.971 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -9.044 -27.368 -21.219 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -9.077 -25.619 -21.325 1.00 0.00 H new ATOM 0 HG CYS A 102 -9.522 -26.499 -18.598 1.00 0.00 H new ATOM 1699 N GLN A 103 -12.646 -25.280 -21.288 1.00 0.00 N ATOM 1700 CA GLN A 103 -13.411 -24.067 -20.966 1.00 0.00 C ATOM 1701 C GLN A 103 -13.812 -24.075 -19.466 1.00 0.00 C ATOM 1702 O GLN A 103 -14.809 -23.462 -19.073 1.00 0.00 O ATOM 1703 CB GLN A 103 -14.680 -23.988 -21.851 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.439 -23.635 -23.329 1.00 0.00 C ATOM 1705 CD GLN A 103 -13.918 -22.210 -23.513 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -14.679 -21.265 -23.655 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -12.616 -22.006 -23.504 1.00 0.00 N ATOM 0 H GLN A 103 -12.958 -26.109 -20.782 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.788 -23.195 -21.163 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -15.194 -24.948 -21.805 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -15.353 -23.245 -21.424 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.723 -24.338 -23.755 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.370 -23.753 -23.884 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.977 -22.792 -23.386 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -12.247 -21.062 -23.615 1.00 0.00 H new ATOM 1716 N LYS A 104 -13.022 -24.793 -18.642 1.00 0.00 N ATOM 1717 CA LYS A 104 -13.296 -24.913 -17.206 1.00 0.00 C ATOM 1718 C LYS A 104 -12.942 -23.623 -16.501 1.00 0.00 C ATOM 1719 O LYS A 104 -12.060 -22.890 -16.943 1.00 0.00 O ATOM 1720 CB LYS A 104 -12.480 -26.071 -16.609 1.00 0.00 C ATOM 1721 CG LYS A 104 -12.872 -27.434 -17.205 1.00 0.00 C ATOM 1722 CD LYS A 104 -12.000 -28.562 -16.632 1.00 0.00 C ATOM 1723 CE LYS A 104 -11.834 -29.716 -17.629 1.00 0.00 C ATOM 1724 NZ LYS A 104 -10.840 -29.390 -18.675 1.00 0.00 N ATOM 0 H LYS A 104 -12.191 -25.296 -18.952 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.358 -25.116 -17.067 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.419 -25.892 -16.785 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.625 -26.095 -15.529 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.921 -27.638 -16.993 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.766 -27.404 -18.289 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.020 -28.165 -16.369 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.449 -28.938 -15.713 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.523 -30.615 -17.098 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.794 -29.937 -18.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.167 -29.757 -19.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.726 -28.358 -18.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.927 -29.826 -18.434 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.675 -23.313 -15.431 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.556 -22.016 -14.773 1.00 0.00 C ATOM 1740 C LYS A 105 -13.333 -22.176 -13.281 1.00 0.00 C ATOM 1741 O LYS A 105 -13.884 -23.078 -12.651 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.822 -21.183 -15.027 1.00 0.00 C ATOM 1743 CG LYS A 105 -15.262 -21.213 -16.501 1.00 0.00 C ATOM 1744 CD LYS A 105 -16.362 -20.193 -16.822 1.00 0.00 C ATOM 1745 CE LYS A 105 -16.535 -20.041 -18.339 1.00 0.00 C ATOM 1746 NZ LYS A 105 -16.894 -21.315 -19.000 1.00 0.00 N ATOM 0 H LYS A 105 -14.355 -23.942 -15.004 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.692 -21.501 -15.192 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.632 -21.559 -14.402 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.640 -20.151 -14.726 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.398 -21.018 -17.136 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.619 -22.213 -16.747 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -17.303 -20.512 -16.374 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.110 -19.228 -16.381 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.309 -19.300 -18.541 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.609 -19.660 -18.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.148 -21.132 -19.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.083 -21.965 -18.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.704 -21.745 -18.509 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.538 -21.267 -12.716 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.220 -21.281 -11.285 1.00 0.00 C ATOM 1762 C PHE A 106 -12.556 -19.944 -10.644 1.00 0.00 C ATOM 1763 O PHE A 106 -12.740 -18.940 -11.334 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.728 -21.592 -11.086 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.383 -22.942 -11.673 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.626 -24.115 -10.933 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.994 -23.030 -13.020 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.512 -25.371 -11.554 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.914 -24.282 -13.653 1.00 0.00 C ATOM 1770 CZ PHE A 106 -10.187 -25.450 -12.921 1.00 0.00 C ATOM 0 H PHE A 106 -12.098 -20.505 -13.232 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.820 -22.055 -10.806 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.123 -20.818 -11.559 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.487 -21.579 -10.023 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.899 -24.050 -9.890 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.756 -22.132 -13.571 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.674 -26.273 -10.983 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.644 -24.346 -14.697 1.00 0.00 H new ATOM 0 HZ PHE A 106 -10.147 -26.412 -13.410 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.651 -19.938 -9.317 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.988 -18.730 -8.575 1.00 0.00 C ATOM 1782 C ALA A 107 -11.724 -18.048 -8.021 1.00 0.00 C ATOM 1783 O ALA A 107 -11.807 -16.981 -7.406 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.939 -19.086 -7.425 1.00 0.00 C ATOM 0 H ALA A 107 -12.498 -20.760 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.477 -18.031 -9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.192 -18.183 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.849 -19.530 -7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.453 -19.798 -6.758 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.551 -18.651 -8.280 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.275 -18.076 -7.862 1.00 0.00 C ATOM 1792 C ARG A 108 -8.242 -18.160 -8.991 1.00 0.00 C ATOM 1793 O ARG A 108 -8.158 -19.166 -9.712 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.750 -18.808 -6.629 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.589 -18.613 -5.361 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.360 -19.738 -4.349 1.00 0.00 C ATOM 1797 NE ARG A 108 -7.935 -19.980 -4.060 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.453 -20.526 -2.950 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.219 -20.701 -1.904 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.202 -20.910 -2.912 1.00 0.00 N ATOM 0 H ARG A 108 -10.467 -19.537 -8.778 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.438 -17.026 -7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.696 -19.874 -6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.732 -18.472 -6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.339 -17.656 -4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.645 -18.573 -5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.875 -19.493 -3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.808 -20.656 -4.729 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.261 -19.704 -4.774 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.198 -20.417 -1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.837 -21.122 -1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.606 -20.789 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.823 -21.330 -2.063 1.00 0.00 H new ATOM 1814 N SER A 109 -7.432 -17.111 -9.106 1.00 0.00 N ATOM 1815 CA SER A 109 -6.389 -17.039 -10.119 1.00 0.00 C ATOM 1816 C SER A 109 -5.400 -18.206 -9.971 1.00 0.00 C ATOM 1817 O SER A 109 -5.063 -18.867 -10.948 1.00 0.00 O ATOM 1818 CB SER A 109 -5.636 -15.700 -9.993 1.00 0.00 C ATOM 1819 OG SER A 109 -5.333 -15.415 -8.638 1.00 0.00 O ATOM 0 H SER A 109 -7.482 -16.291 -8.501 1.00 0.00 H new ATOM 0 HA SER A 109 -6.856 -17.106 -11.101 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.715 -15.740 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.243 -14.896 -10.411 1.00 0.00 H new ATOM 0 HG SER A 109 -4.854 -14.562 -8.582 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.975 -18.482 -8.730 1.00 0.00 N ATOM 1826 CA ASP A 110 -4.037 -19.576 -8.454 1.00 0.00 C ATOM 1827 C ASP A 110 -4.685 -20.959 -8.724 1.00 0.00 C ATOM 1828 O ASP A 110 -4.002 -21.889 -9.128 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.541 -19.501 -7.007 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.539 -19.895 -5.913 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.724 -19.519 -6.021 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.100 -20.526 -4.927 1.00 0.00 O ATOM 0 H ASP A 110 -5.267 -17.962 -7.902 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.188 -19.464 -9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.665 -20.143 -6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.210 -18.480 -6.814 1.00 0.00 H new ATOM 1837 N GLU A 111 -6.006 -21.087 -8.473 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.735 -22.332 -8.804 1.00 0.00 C ATOM 1839 C GLU A 111 -6.661 -22.606 -10.304 1.00 0.00 C ATOM 1840 O GLU A 111 -6.420 -23.739 -10.719 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.214 -22.241 -8.370 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.457 -22.688 -6.917 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.953 -22.763 -6.546 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.766 -22.103 -7.240 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.260 -23.442 -5.542 1.00 0.00 O ATOM 0 H GLU A 111 -6.581 -20.358 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.262 -23.150 -8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.556 -21.213 -8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.818 -22.856 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.002 -23.667 -6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.956 -21.994 -6.242 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.802 -21.547 -11.118 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.628 -21.671 -12.567 1.00 0.00 C ATOM 1854 C LEU A 112 -5.170 -22.075 -12.913 1.00 0.00 C ATOM 1855 O LEU A 112 -4.950 -22.973 -13.725 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.996 -20.355 -13.265 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.788 -20.424 -14.790 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.617 -21.529 -15.452 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -7.138 -19.090 -15.453 1.00 0.00 C ATOM 0 H LEU A 112 -7.034 -20.607 -10.798 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.296 -22.455 -12.925 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.037 -20.113 -13.053 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.391 -19.547 -12.854 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.732 -20.652 -14.935 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.430 -21.530 -16.526 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.335 -22.495 -15.034 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.676 -21.349 -15.268 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.982 -19.167 -16.529 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.182 -18.848 -15.254 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.500 -18.304 -15.049 1.00 0.00 H new ATOM 1871 N VAL A 113 -4.182 -21.438 -12.253 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.758 -21.806 -12.458 1.00 0.00 C ATOM 1873 C VAL A 113 -2.542 -23.292 -12.125 1.00 0.00 C ATOM 1874 O VAL A 113 -1.945 -24.034 -12.904 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.844 -20.933 -11.550 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.367 -21.344 -11.670 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.901 -19.433 -11.856 1.00 0.00 C ATOM 0 H VAL A 113 -4.334 -20.681 -11.586 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.501 -21.631 -13.503 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.235 -21.109 -10.548 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.240 -20.712 -11.022 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.254 -22.386 -11.371 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.039 -21.225 -12.703 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.235 -18.898 -11.179 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.587 -19.259 -12.885 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.921 -19.073 -11.722 1.00 0.00 H new ATOM 1887 N ARG A 114 -3.073 -23.715 -10.976 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.998 -25.115 -10.553 1.00 0.00 C ATOM 1889 C ARG A 114 -3.644 -26.032 -11.603 1.00 0.00 C ATOM 1890 O ARG A 114 -3.033 -27.004 -12.037 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.699 -25.296 -9.197 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.642 -26.772 -8.760 1.00 0.00 C ATOM 1893 CD ARG A 114 -4.092 -26.970 -7.315 1.00 0.00 C ATOM 1894 NE ARG A 114 -3.122 -26.396 -6.370 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.144 -26.556 -5.055 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.052 -27.300 -4.470 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.264 -25.950 -4.297 1.00 0.00 N ATOM 0 H ARG A 114 -3.561 -23.106 -10.320 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.948 -25.388 -10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -3.220 -24.668 -8.446 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.737 -24.971 -9.270 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.274 -27.368 -9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.623 -27.143 -8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -5.066 -26.503 -7.168 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.214 -28.034 -7.112 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.370 -25.828 -6.759 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.763 -27.771 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.047 -27.407 -3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.555 -25.350 -4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.288 -26.078 -3.285 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.841 -25.652 -12.079 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.543 -26.417 -13.122 1.00 0.00 C ATOM 1913 C HIS A 115 -4.649 -26.609 -14.350 1.00 0.00 C ATOM 1914 O HIS A 115 -4.453 -27.732 -14.809 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.836 -25.700 -13.529 1.00 0.00 C ATOM 1916 CG HIS A 115 -7.467 -26.313 -14.759 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -8.002 -27.581 -14.839 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.525 -25.759 -16.015 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -8.380 -27.773 -16.114 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -8.143 -26.678 -16.843 1.00 0.00 N ATOM 0 H HIS A 115 -5.341 -24.823 -11.759 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.791 -27.397 -12.714 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.545 -25.737 -12.702 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.622 -24.648 -13.719 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -8.094 -28.249 -14.073 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.156 -24.786 -16.302 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.815 -28.685 -16.496 1.00 0.00 H new ATOM 1928 N HIS A 116 -4.054 -25.511 -14.836 1.00 0.00 N ATOM 1929 CA HIS A 116 -3.117 -25.574 -15.959 1.00 0.00 C ATOM 1930 C HIS A 116 -1.939 -26.531 -15.642 1.00 0.00 C ATOM 1931 O HIS A 116 -1.511 -27.303 -16.501 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.573 -24.173 -16.274 1.00 0.00 C ATOM 1933 CG HIS A 116 -3.555 -23.147 -16.796 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -3.370 -21.793 -16.699 1.00 0.00 N flip ATOM 1935 CD2 HIS A 116 -4.692 -23.349 -17.558 1.00 0.00 C flip ATOM 1936 CE1 HIS A 116 -4.391 -21.160 -17.409 1.00 0.00 C flip ATOM 1937 NE2 HIS A 116 -5.162 -22.139 -17.905 1.00 0.00 N flip ATOM 0 H HIS A 116 -4.206 -24.572 -14.468 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.654 -25.957 -16.827 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.121 -23.775 -15.366 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.774 -24.279 -17.008 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -2.616 -21.328 -16.194 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.122 -24.303 -17.825 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -4.532 -20.097 -17.534 1.00 0.00 H new ATOM 1945 N ASN A 117 -1.475 -26.521 -14.377 1.00 0.00 N ATOM 1946 CA ASN A 117 -0.343 -27.362 -13.954 1.00 0.00 C ATOM 1947 C ASN A 117 -0.734 -28.862 -13.953 1.00 0.00 C ATOM 1948 O ASN A 117 0.135 -29.734 -13.924 1.00 0.00 O ATOM 1949 CB ASN A 117 0.118 -26.941 -12.541 1.00 0.00 C ATOM 1950 CG ASN A 117 1.578 -27.247 -12.221 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.287 -26.424 -11.669 1.00 0.00 O ATOM 1952 ND2 ASN A 117 2.078 -28.423 -12.539 1.00 0.00 N ATOM 0 H ASN A 117 -1.866 -25.941 -13.634 1.00 0.00 H new ATOM 0 HA ASN A 117 0.473 -27.222 -14.663 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -0.047 -25.870 -12.426 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -0.512 -27.441 -11.806 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.051 -28.639 -12.323 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.492 -29.118 -13.001 1.00 0.00 H new ATOM 1959 N MET A 118 -2.043 -29.138 -13.998 1.00 0.00 N ATOM 1960 CA MET A 118 -2.556 -30.512 -14.025 1.00 0.00 C ATOM 1961 C MET A 118 -3.243 -30.819 -15.375 1.00 0.00 C ATOM 1962 O MET A 118 -3.883 -31.857 -15.529 1.00 0.00 O ATOM 1963 CB MET A 118 -3.563 -30.711 -12.874 1.00 0.00 C ATOM 1964 CG MET A 118 -2.919 -30.524 -11.493 1.00 0.00 C ATOM 1965 SD MET A 118 -4.075 -30.680 -10.103 1.00 0.00 S ATOM 1966 CE MET A 118 -2.899 -30.546 -8.731 1.00 0.00 C ATOM 0 H MET A 118 -2.770 -28.423 -14.017 1.00 0.00 H new ATOM 0 HA MET A 118 -1.716 -31.196 -13.903 1.00 0.00 H new ATOM 0 HB2 MET A 118 -4.384 -30.004 -12.987 1.00 0.00 H new ATOM 0 HB3 MET A 118 -3.992 -31.711 -12.939 1.00 0.00 H new ATOM 0 HG2 MET A 118 -2.124 -31.260 -11.373 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.452 -29.540 -11.453 1.00 0.00 H new ATOM 0 HE1 MET A 118 -3.434 -30.621 -7.784 1.00 0.00 H new ATOM 0 HE2 MET A 118 -2.167 -31.351 -8.799 1.00 0.00 H new ATOM 0 HE3 MET A 118 -2.387 -29.585 -8.783 1.00 0.00 H new ATOM 1976 N HIS A 119 -3.129 -29.888 -16.340 1.00 0.00 N ATOM 1977 CA HIS A 119 -3.849 -30.000 -17.606 1.00 0.00 C ATOM 1978 C HIS A 119 -3.250 -31.107 -18.482 1.00 0.00 C ATOM 1979 O HIS A 119 -3.781 -31.419 -19.554 1.00 0.00 O ATOM 1980 CB HIS A 119 -3.801 -28.666 -18.353 1.00 0.00 C ATOM 1981 CG HIS A 119 -5.079 -28.421 -19.094 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -5.666 -29.294 -19.976 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -5.972 -27.421 -18.830 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -6.906 -28.833 -20.216 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -7.133 -27.710 -19.542 1.00 0.00 N ATOM 0 H HIS A 119 -2.545 -29.055 -16.261 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.885 -30.257 -17.387 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.625 -27.855 -17.646 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.965 -28.666 -19.052 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -5.242 -30.132 -20.373 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.808 -26.567 -18.189 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -7.622 -29.311 -20.869 1.00 0.00 H new