USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=39 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 91:sc= -1.72 USER MOD Set 1.2: A 102 CYS SG : rot -125:sc= 0.577! USER MOD Set 1.3: A 104 LYS NZ :NH3+ -144:sc= 1.32 (180deg=-0.0168) USER MOD Set 1.4: A 115 HIS : no HD1:sc= -0.781 K(o=-1.2,f=-3.4) USER MOD Set 1.5: A 116 HIS : no HD1:sc= -0.491 X(o=-1.2,f=-0.73) USER MOD Set 1.6: A 119 HIS : no HE2:sc= -0.0989 K(o=-1.2,f=-2.8) USER MOD Set 2.1: A 96 SER OG : rot -123:sc= 0.899 USER MOD Set 2.2: A 103 GLN : amide:sc= 1.6 K(o=2.5,f=-8.8!) USER MOD Set 3.1: A 68 GLN : amide:sc= -0.306 K(o=1.5,f=-1.8!) USER MOD Set 3.2: A 73 GLN : amide:sc= 1.85 K(o=1.5,f=-1.8) USER MOD Set 4.1: A 69 CYS SG : rot 120:sc= 2.54 USER MOD Set 4.2: A 71 THR OG1 : rot 83:sc= 0.815 USER MOD Set 4.3: A 72 CYS SG : rot -57:sc= 0.0198 USER MOD Set 4.4: A 85 HIS : no HD1:sc= -0.682 K(o=2.7,f=1.1) USER MOD Set 4.5: A 89 HIS : no HD1:sc= -0.0414 K(o=2.7,f=0.28) USER MOD Set 5.1: A 39 CYS SG : rot -88:sc= -0.941 USER MOD Set 5.2: A 55 LYS NZ :NH3+ -164:sc= 0.568 (180deg=-0.247) USER MOD Set 5.3: A 57 HIS : no HD1:sc= -2.37 X(o=-4.5,f=-4.5) USER MOD Set 5.4: A 58 GLN : amide:sc= 0.898 K(o=-4.5,f=-5.3) USER MOD Set 5.5: A 61 HIS : no HE2:sc= -2.66! C(o=-4.5!,f=-6.3!) USER MOD Set 6.1: A 37 TYR OH : rot 180:sc= 0.616 USER MOD Set 6.2: A 51 SER OG : rot -76:sc= 2.49 USER MOD Set 7.1: A 9 CYS SG : rot 70:sc= -1.62! USER MOD Set 7.2: A 14 CYS SG : rot -167:sc= -1.04 USER MOD Set 7.3: A 18 TYR OH : rot 170:sc= -0.436 USER MOD Set 7.4: A 27 HIS : no HE2:sc= -2.24 K(o=-9.2,f=-10) USER MOD Set 7.5: A 31 HIS : no HE2:sc= -3.91 K(o=-9.2,f=-12!) 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= 0.893 K(o=0.89,f=-0.0091) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.0804 (180deg=-0.231) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 23 HIS : no HE2:sc= 0.101 K(o=0.1,f=-6.1!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 80:sc= 1.24 USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= -0.0667 (180deg=-0.356) USER MOD Single : A 32 THR OG1 : rot -39:sc= 1.69 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 53 GLN : amide:sc= -0.343 K(o=-0.34,f=-0.93) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.771 USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 0.674 (180deg=0.505) USER MOD Single : A 70 LYS NZ :NH3+ -142:sc= 0.26 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -58:sc= 1.05 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00563 USER MOD Single : A 81 HIS : no HD1:sc= -0.5 K(o=-0.5,f=-1.4) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 98:sc= 1.33 USER MOD Single : A 86 THR OG1 : rot 53:sc= 1.14 USER MOD Single : A 88 THR OG1 : rot 103:sc= 1.1 USER MOD Single : A 90 THR OG1 : rot -24:sc= 0.442 USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0413) USER MOD Single : A 101 SER OG : rot -3:sc= 1.11 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 117 ASN : amide:sc= 1.05 K(o=1,f=-0.034) USER MOD Single : A 118 MET CE :methyl -175:sc= 0 (180deg=-0.0188) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 13.727 -6.249 -11.143 1.00 0.00 N ATOM 98 CA PHE A 7 14.319 -5.023 -10.591 1.00 0.00 C ATOM 99 C PHE A 7 14.665 -5.231 -9.099 1.00 0.00 C ATOM 100 O PHE A 7 14.345 -6.269 -8.527 1.00 0.00 O ATOM 101 CB PHE A 7 13.314 -3.855 -10.737 1.00 0.00 C ATOM 102 CG PHE A 7 13.084 -3.434 -12.182 1.00 0.00 C ATOM 103 CD1 PHE A 7 12.257 -4.199 -13.031 1.00 0.00 C ATOM 104 CD2 PHE A 7 13.751 -2.308 -12.703 1.00 0.00 C ATOM 105 CE1 PHE A 7 12.148 -3.886 -14.395 1.00 0.00 C ATOM 106 CE2 PHE A 7 13.635 -1.989 -14.067 1.00 0.00 C ATOM 107 CZ PHE A 7 12.874 -2.806 -14.922 1.00 0.00 C ATOM 0 HA PHE A 7 15.232 -4.787 -11.137 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.361 -4.147 -10.295 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.679 -2.998 -10.170 1.00 0.00 H new ATOM 0 HD1 PHE A 7 11.702 -5.033 -12.628 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.352 -1.689 -12.054 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.508 -4.474 -15.037 1.00 0.00 H new ATOM 0 HE2 PHE A 7 14.132 -1.114 -14.460 1.00 0.00 H new ATOM 0 HZ PHE A 7 12.848 -2.603 -15.982 1.00 0.00 H new ATOM 117 N MET A 8 15.327 -4.241 -8.482 1.00 0.00 N ATOM 118 CA MET A 8 15.513 -4.228 -7.011 1.00 0.00 C ATOM 119 C MET A 8 15.255 -2.835 -6.452 1.00 0.00 C ATOM 120 O MET A 8 15.462 -1.832 -7.139 1.00 0.00 O ATOM 121 CB MET A 8 16.938 -4.683 -6.629 1.00 0.00 C ATOM 122 CG MET A 8 17.617 -5.672 -7.584 1.00 0.00 C ATOM 123 SD MET A 8 19.154 -6.374 -6.934 1.00 0.00 S ATOM 124 CE MET A 8 19.590 -7.466 -8.311 1.00 0.00 C ATOM 0 H MET A 8 15.741 -3.444 -8.966 1.00 0.00 H new ATOM 0 HA MET A 8 14.796 -4.926 -6.580 1.00 0.00 H new ATOM 0 HB2 MET A 8 17.569 -3.798 -6.548 1.00 0.00 H new ATOM 0 HB3 MET A 8 16.898 -5.137 -5.639 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.923 -6.483 -7.806 1.00 0.00 H new ATOM 0 HG3 MET A 8 17.829 -5.166 -8.526 1.00 0.00 H new ATOM 0 HE1 MET A 8 20.521 -7.986 -8.083 1.00 0.00 H new ATOM 0 HE2 MET A 8 18.795 -8.196 -8.463 1.00 0.00 H new ATOM 0 HE3 MET A 8 19.718 -6.875 -9.218 1.00 0.00 H new ATOM 134 N CYS A 9 14.859 -2.784 -5.187 1.00 0.00 N ATOM 135 CA CYS A 9 14.721 -1.510 -4.461 1.00 0.00 C ATOM 136 C CYS A 9 16.122 -0.844 -4.234 1.00 0.00 C ATOM 137 O CYS A 9 17.167 -1.503 -4.340 1.00 0.00 O ATOM 138 CB CYS A 9 14.019 -1.759 -3.114 1.00 0.00 C ATOM 139 SG CYS A 9 14.047 -0.321 -2.018 1.00 0.00 S ATOM 0 H CYS A 9 14.625 -3.608 -4.633 1.00 0.00 H new ATOM 0 HA CYS A 9 14.118 -0.827 -5.059 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.984 -2.046 -3.299 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.498 -2.599 -2.612 1.00 0.00 H new ATOM 0 HG CYS A 9 13.271 0.605 -2.498 1.00 0.00 H new ATOM 144 N ALA A 10 16.119 0.466 -3.939 1.00 0.00 N ATOM 145 CA ALA A 10 17.360 1.239 -3.769 1.00 0.00 C ATOM 146 C ALA A 10 17.619 1.577 -2.276 1.00 0.00 C ATOM 147 O ALA A 10 18.772 1.648 -1.845 1.00 0.00 O ATOM 148 CB ALA A 10 17.271 2.532 -4.588 1.00 0.00 C ATOM 0 H ALA A 10 15.268 1.014 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 10 18.193 0.631 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 10 18.189 3.106 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.137 2.287 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.424 3.124 -4.242 1.00 0.00 H new ATOM 154 N TYR A 11 16.540 1.842 -1.520 1.00 0.00 N ATOM 155 CA TYR A 11 16.651 2.330 -0.129 1.00 0.00 C ATOM 156 C TYR A 11 17.549 1.397 0.729 1.00 0.00 C ATOM 157 O TYR A 11 17.398 0.171 0.690 1.00 0.00 O ATOM 158 CB TYR A 11 15.260 2.416 0.488 1.00 0.00 C ATOM 159 CG TYR A 11 15.135 2.957 1.904 1.00 0.00 C ATOM 160 CD1 TYR A 11 15.121 2.053 2.980 1.00 0.00 C ATOM 161 CD2 TYR A 11 14.852 4.320 2.139 1.00 0.00 C ATOM 162 CE1 TYR A 11 14.816 2.499 4.275 1.00 0.00 C ATOM 163 CE2 TYR A 11 14.517 4.768 3.433 1.00 0.00 C ATOM 164 CZ TYR A 11 14.539 3.863 4.513 1.00 0.00 C ATOM 165 OH TYR A 11 14.294 4.306 5.773 1.00 0.00 O ATOM 0 H TYR A 11 15.580 1.727 -1.846 1.00 0.00 H new ATOM 0 HA TYR A 11 17.113 3.317 -0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.645 3.039 -0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 11 14.827 1.416 0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.346 1.011 2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 11 14.892 5.025 1.322 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.793 1.795 5.094 1.00 0.00 H new ATOM 0 HE2 TYR A 11 14.245 5.800 3.596 1.00 0.00 H new ATOM 0 HH TYR A 11 14.124 5.271 5.753 1.00 0.00 H new ATOM 175 N PRO A 12 18.478 1.988 1.538 1.00 0.00 N ATOM 176 CA PRO A 12 19.432 1.225 2.360 1.00 0.00 C ATOM 177 C PRO A 12 18.757 0.552 3.578 1.00 0.00 C ATOM 178 O PRO A 12 19.026 0.896 4.730 1.00 0.00 O ATOM 179 CB PRO A 12 20.457 2.286 2.803 1.00 0.00 C ATOM 180 CG PRO A 12 19.644 3.579 2.855 1.00 0.00 C ATOM 181 CD PRO A 12 18.686 3.423 1.673 1.00 0.00 C ATOM 0 HA PRO A 12 19.880 0.399 1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.888 2.045 3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 12 21.285 2.362 2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.109 3.683 3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.277 4.460 2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 12 17.745 3.942 1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.111 3.847 0.763 1.00 0.00 H new ATOM 189 N GLY A 13 17.869 -0.390 3.292 1.00 0.00 N ATOM 190 CA GLY A 13 17.122 -1.098 4.339 1.00 0.00 C ATOM 191 C GLY A 13 16.146 -2.134 3.758 1.00 0.00 C ATOM 192 O GLY A 13 15.606 -2.962 4.490 1.00 0.00 O ATOM 0 H GLY A 13 17.643 -0.687 2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 13 17.823 -1.597 5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 13 16.568 -0.376 4.939 1.00 0.00 H new ATOM 196 N CYS A 14 15.953 -2.091 2.429 1.00 0.00 N ATOM 197 CA CYS A 14 15.105 -3.041 1.729 1.00 0.00 C ATOM 198 C CYS A 14 15.892 -3.712 0.593 1.00 0.00 C ATOM 199 O CYS A 14 16.409 -4.821 0.755 1.00 0.00 O ATOM 200 CB CYS A 14 13.881 -2.314 1.165 1.00 0.00 C ATOM 201 SG CYS A 14 12.934 -3.324 -0.007 1.00 0.00 S ATOM 0 H CYS A 14 16.384 -1.395 1.821 1.00 0.00 H new ATOM 0 HA CYS A 14 14.775 -3.811 2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 14 13.231 -2.017 1.988 1.00 0.00 H new ATOM 0 HB3 CYS A 14 14.205 -1.399 0.669 1.00 0.00 H new ATOM 0 HG CYS A 14 12.092 -2.569 -0.649 1.00 0.00 H new ATOM 206 N ASN A 15 16.022 -2.996 -0.538 1.00 0.00 N ATOM 207 CA ASN A 15 16.803 -3.462 -1.695 1.00 0.00 C ATOM 208 C ASN A 15 16.316 -4.843 -2.207 1.00 0.00 C ATOM 209 O ASN A 15 17.050 -5.541 -2.914 1.00 0.00 O ATOM 210 CB ASN A 15 18.307 -3.531 -1.330 1.00 0.00 C ATOM 211 CG ASN A 15 18.899 -2.162 -1.037 1.00 0.00 C ATOM 212 OD1 ASN A 15 19.488 -1.928 0.008 1.00 0.00 O ATOM 213 ND2 ASN A 15 18.796 -1.244 -1.979 1.00 0.00 N ATOM 0 H ASN A 15 15.590 -2.082 -0.674 1.00 0.00 H new ATOM 0 HA ASN A 15 16.656 -2.742 -2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.437 -4.173 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.856 -3.992 -2.151 1.00 0.00 H new ATOM 0 HD21 ASN A 15 19.211 -0.323 -1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.301 -1.456 -2.845 1.00 0.00 H new ATOM 220 N LYS A 16 15.064 -5.214 -1.880 1.00 0.00 N ATOM 221 CA LYS A 16 14.486 -6.480 -2.334 1.00 0.00 C ATOM 222 C LYS A 16 14.121 -6.394 -3.791 1.00 0.00 C ATOM 223 O LYS A 16 14.363 -5.383 -4.434 1.00 0.00 O ATOM 224 CB LYS A 16 13.225 -6.815 -1.493 1.00 0.00 C ATOM 225 CG LYS A 16 13.461 -7.942 -0.474 1.00 0.00 C ATOM 226 CD LYS A 16 14.431 -7.589 0.663 1.00 0.00 C ATOM 227 CE LYS A 16 13.851 -6.531 1.609 1.00 0.00 C ATOM 228 NZ LYS A 16 14.762 -6.301 2.749 1.00 0.00 N ATOM 0 H LYS A 16 14.439 -4.651 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 16 15.225 -7.271 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.899 -5.919 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.415 -7.103 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.503 -8.227 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.844 -8.815 -1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.668 -8.490 1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.366 -7.223 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.693 -5.598 1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.877 -6.856 1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.273 -5.743 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.053 -7.215 3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.603 -5.783 2.423 1.00 0.00 H new ATOM 242 N ARG A 17 13.571 -7.477 -4.334 1.00 0.00 N ATOM 243 CA ARG A 17 13.382 -7.582 -5.765 1.00 0.00 C ATOM 244 C ARG A 17 11.950 -7.230 -6.168 1.00 0.00 C ATOM 245 O ARG A 17 11.025 -7.300 -5.364 1.00 0.00 O ATOM 246 CB ARG A 17 13.716 -9.012 -6.240 1.00 0.00 C ATOM 247 CG ARG A 17 15.052 -9.603 -5.757 1.00 0.00 C ATOM 248 CD ARG A 17 16.266 -8.733 -6.110 1.00 0.00 C ATOM 249 NE ARG A 17 16.890 -8.128 -4.918 1.00 0.00 N ATOM 250 CZ ARG A 17 17.740 -8.719 -4.084 1.00 0.00 C ATOM 251 NH1 ARG A 17 18.107 -9.975 -4.218 1.00 0.00 N ATOM 252 NH2 ARG A 17 18.235 -8.048 -3.074 1.00 0.00 N ATOM 0 H ARG A 17 13.252 -8.287 -3.802 1.00 0.00 H new ATOM 0 HA ARG A 17 14.055 -6.870 -6.242 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.913 -9.675 -5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.715 -9.018 -7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.012 -9.737 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.183 -10.592 -6.196 1.00 0.00 H new ATOM 0 HD2 ARG A 17 17.004 -9.340 -6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.957 -7.944 -6.795 1.00 0.00 H new ATOM 0 HE ARG A 17 16.645 -7.159 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.736 -10.535 -4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.762 -10.388 -3.554 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.968 -7.074 -2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.887 -8.499 -2.433 1.00 0.00 H new ATOM 266 N TYR A 18 11.801 -6.848 -7.430 1.00 0.00 N ATOM 267 CA TYR A 18 10.536 -6.389 -7.982 1.00 0.00 C ATOM 268 C TYR A 18 10.400 -6.831 -9.436 1.00 0.00 C ATOM 269 O TYR A 18 11.359 -7.304 -10.041 1.00 0.00 O ATOM 270 CB TYR A 18 10.466 -4.859 -7.909 1.00 0.00 C ATOM 271 CG TYR A 18 9.986 -4.360 -6.568 1.00 0.00 C ATOM 272 CD1 TYR A 18 8.605 -4.252 -6.329 1.00 0.00 C ATOM 273 CD2 TYR A 18 10.899 -4.075 -5.538 1.00 0.00 C ATOM 274 CE1 TYR A 18 8.123 -3.980 -5.041 1.00 0.00 C ATOM 275 CE2 TYR A 18 10.417 -3.685 -4.278 1.00 0.00 C ATOM 276 CZ TYR A 18 9.035 -3.724 -4.004 1.00 0.00 C ATOM 277 OH TYR A 18 8.578 -3.531 -2.743 1.00 0.00 O ATOM 0 H TYR A 18 12.565 -6.849 -8.106 1.00 0.00 H new ATOM 0 HA TYR A 18 9.723 -6.823 -7.400 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.453 -4.444 -8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 18 9.798 -4.493 -8.689 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.909 -4.380 -7.145 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.962 -4.155 -5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.060 -3.967 -4.848 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.108 -3.354 -3.516 1.00 0.00 H new ATOM 0 HH TYR A 18 9.333 -3.523 -2.119 1.00 0.00 H new ATOM 287 N PHE A 19 9.210 -6.647 -9.995 1.00 0.00 N ATOM 288 CA PHE A 19 9.000 -6.802 -11.423 1.00 0.00 C ATOM 289 C PHE A 19 8.768 -5.400 -12.058 1.00 0.00 C ATOM 290 O PHE A 19 9.558 -4.492 -11.830 1.00 0.00 O ATOM 291 CB PHE A 19 7.792 -7.742 -11.676 1.00 0.00 C ATOM 292 CG PHE A 19 7.465 -8.117 -13.115 1.00 0.00 C ATOM 293 CD1 PHE A 19 8.481 -8.333 -14.067 1.00 0.00 C ATOM 294 CD2 PHE A 19 6.115 -8.215 -13.508 1.00 0.00 C ATOM 295 CE1 PHE A 19 8.144 -8.614 -15.401 1.00 0.00 C ATOM 296 CE2 PHE A 19 5.781 -8.493 -14.845 1.00 0.00 C ATOM 297 CZ PHE A 19 6.797 -8.684 -15.795 1.00 0.00 C ATOM 0 H PHE A 19 8.372 -6.388 -9.474 1.00 0.00 H new ATOM 0 HA PHE A 19 9.878 -7.252 -11.886 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.966 -8.665 -11.122 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.908 -7.273 -11.244 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.518 -8.282 -13.771 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.332 -8.076 -12.777 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.925 -8.777 -16.129 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.744 -8.560 -15.141 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.544 -8.884 -16.826 1.00 0.00 H new ATOM 307 N LYS A 20 7.651 -5.245 -12.811 1.00 0.00 N ATOM 308 CA LYS A 20 7.204 -3.939 -13.409 1.00 0.00 C ATOM 309 C LYS A 20 7.991 -2.729 -12.852 1.00 0.00 C ATOM 310 O LYS A 20 7.748 -2.285 -11.733 1.00 0.00 O ATOM 311 CB LYS A 20 5.700 -3.740 -13.122 1.00 0.00 C ATOM 312 CG LYS A 20 4.850 -4.591 -14.078 1.00 0.00 C ATOM 313 CD LYS A 20 3.360 -4.527 -13.723 1.00 0.00 C ATOM 314 CE LYS A 20 2.564 -5.421 -14.679 1.00 0.00 C ATOM 315 NZ LYS A 20 1.127 -5.433 -14.340 1.00 0.00 N ATOM 0 H LYS A 20 7.024 -6.020 -13.028 1.00 0.00 H new ATOM 0 HA LYS A 20 7.395 -3.988 -14.481 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.482 -4.015 -12.090 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.439 -2.688 -13.234 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.995 -4.244 -15.101 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.188 -5.626 -14.042 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.207 -4.851 -12.694 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.004 -3.499 -13.789 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.694 -5.068 -15.702 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.956 -6.437 -14.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.618 -6.048 -15.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.002 -5.793 -13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.748 -4.467 -14.402 1.00 0.00 H new ATOM 329 N LEU A 21 8.893 -2.175 -13.680 1.00 0.00 N ATOM 330 CA LEU A 21 9.761 -1.048 -13.266 1.00 0.00 C ATOM 331 C LEU A 21 8.949 0.065 -12.561 1.00 0.00 C ATOM 332 O LEU A 21 9.372 0.595 -11.541 1.00 0.00 O ATOM 333 CB LEU A 21 10.489 -0.463 -14.503 1.00 0.00 C ATOM 334 CG LEU A 21 9.741 0.403 -15.543 1.00 0.00 C ATOM 335 CD1 LEU A 21 10.755 0.952 -16.553 1.00 0.00 C ATOM 336 CD2 LEU A 21 8.681 -0.376 -16.334 1.00 0.00 C ATOM 0 H LEU A 21 9.044 -2.486 -14.640 1.00 0.00 H new ATOM 0 HA LEU A 21 10.493 -1.432 -12.555 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.319 0.137 -14.129 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.922 -1.305 -15.044 1.00 0.00 H new ATOM 0 HG LEU A 21 9.236 1.192 -14.985 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.238 1.565 -17.291 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.495 1.559 -16.032 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.254 0.123 -17.055 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.195 0.291 -17.046 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.158 -1.195 -16.872 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.937 -0.778 -15.647 1.00 0.00 H new ATOM 348 N SER A 22 7.784 0.401 -13.126 1.00 0.00 N ATOM 349 CA SER A 22 6.923 1.459 -12.580 1.00 0.00 C ATOM 350 C SER A 22 6.325 1.061 -11.234 1.00 0.00 C ATOM 351 O SER A 22 6.166 1.896 -10.348 1.00 0.00 O ATOM 352 CB SER A 22 5.793 1.763 -13.571 1.00 0.00 C ATOM 353 OG SER A 22 5.176 0.564 -14.020 1.00 0.00 O ATOM 0 H SER A 22 7.414 -0.046 -13.965 1.00 0.00 H new ATOM 0 HA SER A 22 7.538 2.346 -12.426 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.050 2.403 -13.096 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.190 2.314 -14.424 1.00 0.00 H new ATOM 0 HG SER A 22 4.457 0.782 -14.650 1.00 0.00 H new ATOM 359 N HIS A 23 5.996 -0.218 -11.081 1.00 0.00 N ATOM 360 CA HIS A 23 5.475 -0.723 -9.826 1.00 0.00 C ATOM 361 C HIS A 23 6.555 -0.627 -8.728 1.00 0.00 C ATOM 362 O HIS A 23 6.292 -0.126 -7.636 1.00 0.00 O ATOM 363 CB HIS A 23 4.975 -2.183 -10.014 1.00 0.00 C ATOM 364 CG HIS A 23 5.565 -3.452 -9.424 1.00 0.00 C ATOM 365 ND1 HIS A 23 4.768 -4.516 -9.060 1.00 0.00 N ATOM 366 CD2 HIS A 23 6.855 -3.923 -9.449 1.00 0.00 C ATOM 367 CE1 HIS A 23 5.546 -5.595 -8.900 1.00 0.00 C ATOM 368 NE2 HIS A 23 6.825 -5.280 -9.120 1.00 0.00 N ATOM 0 H HIS A 23 6.083 -0.921 -11.815 1.00 0.00 H new ATOM 0 HA HIS A 23 4.627 -0.115 -9.510 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.935 -2.173 -9.687 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.968 -2.346 -11.092 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.756 -4.487 -8.934 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.737 -3.346 -9.682 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.190 -6.579 -8.632 1.00 0.00 H new ATOM 376 N LEU A 24 7.805 -0.941 -9.094 1.00 0.00 N ATOM 377 CA LEU A 24 8.946 -0.725 -8.201 1.00 0.00 C ATOM 378 C LEU A 24 9.201 0.792 -7.974 1.00 0.00 C ATOM 379 O LEU A 24 9.604 1.203 -6.887 1.00 0.00 O ATOM 380 CB LEU A 24 10.203 -1.393 -8.784 1.00 0.00 C ATOM 381 CG LEU A 24 11.530 -1.311 -7.983 1.00 0.00 C ATOM 382 CD1 LEU A 24 12.445 -0.200 -8.507 1.00 0.00 C ATOM 383 CD2 LEU A 24 11.403 -1.165 -6.459 1.00 0.00 C ATOM 0 H LEU A 24 8.049 -1.344 -9.999 1.00 0.00 H new ATOM 0 HA LEU A 24 8.714 -1.176 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.975 -2.448 -8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.383 -0.958 -9.767 1.00 0.00 H new ATOM 0 HG LEU A 24 11.966 -2.295 -8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.363 -0.177 -7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.688 -0.392 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.936 0.760 -8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.397 -1.118 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.858 -0.251 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.864 -2.022 -6.055 1.00 0.00 H new ATOM 395 N GLN A 25 8.917 1.615 -8.990 1.00 0.00 N ATOM 396 CA GLN A 25 9.006 3.076 -8.847 1.00 0.00 C ATOM 397 C GLN A 25 8.006 3.577 -7.778 1.00 0.00 C ATOM 398 O GLN A 25 8.346 4.430 -6.956 1.00 0.00 O ATOM 399 CB GLN A 25 8.719 3.758 -10.197 1.00 0.00 C ATOM 400 CG GLN A 25 9.261 5.191 -10.264 1.00 0.00 C ATOM 401 CD GLN A 25 8.936 5.856 -11.604 1.00 0.00 C ATOM 402 OE1 GLN A 25 8.925 5.238 -12.657 1.00 0.00 O ATOM 403 NE2 GLN A 25 8.654 7.145 -11.614 1.00 0.00 N ATOM 0 H GLN A 25 8.625 1.299 -9.915 1.00 0.00 H new ATOM 0 HA GLN A 25 10.016 3.332 -8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.163 3.168 -10.999 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.643 3.773 -10.370 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.834 5.780 -9.452 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.341 5.179 -10.116 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.659 7.675 -10.742 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.431 7.611 -12.493 1.00 0.00 H new ATOM 412 N MET A 26 6.801 2.974 -7.748 1.00 0.00 N ATOM 413 CA MET A 26 5.814 3.263 -6.698 1.00 0.00 C ATOM 414 C MET A 26 6.336 2.816 -5.324 1.00 0.00 C ATOM 415 O MET A 26 6.327 3.592 -4.374 1.00 0.00 O ATOM 416 CB MET A 26 4.482 2.555 -7.002 1.00 0.00 C ATOM 417 CG MET A 26 3.454 2.814 -5.889 1.00 0.00 C ATOM 418 SD MET A 26 2.945 4.546 -5.701 1.00 0.00 S ATOM 419 CE MET A 26 1.578 4.324 -4.534 1.00 0.00 C ATOM 0 H MET A 26 6.492 2.288 -8.437 1.00 0.00 H new ATOM 0 HA MET A 26 5.648 4.340 -6.678 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.088 2.908 -7.955 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.651 1.483 -7.104 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.568 2.210 -6.086 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.871 2.469 -4.943 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.138 5.294 -4.300 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.820 3.680 -4.980 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.952 3.865 -3.619 1.00 0.00 H new ATOM 429 N HIS A 27 6.892 1.596 -5.252 1.00 0.00 N ATOM 430 CA HIS A 27 7.459 1.091 -3.996 1.00 0.00 C ATOM 431 C HIS A 27 8.549 2.042 -3.500 1.00 0.00 C ATOM 432 O HIS A 27 8.563 2.438 -2.337 1.00 0.00 O ATOM 433 CB HIS A 27 8.059 -0.312 -4.208 1.00 0.00 C ATOM 434 CG HIS A 27 8.900 -0.673 -3.022 1.00 0.00 C ATOM 435 ND1 HIS A 27 8.458 -0.789 -1.720 1.00 0.00 N ATOM 436 CD2 HIS A 27 10.260 -0.792 -3.023 1.00 0.00 C ATOM 437 CE1 HIS A 27 9.541 -0.990 -0.950 1.00 0.00 C ATOM 438 NE2 HIS A 27 10.635 -1.041 -1.713 1.00 0.00 N ATOM 0 H HIS A 27 6.960 0.950 -6.039 1.00 0.00 H new ATOM 0 HA HIS A 27 6.664 1.030 -3.253 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.263 -1.045 -4.341 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.663 -0.329 -5.115 1.00 0.00 H new ATOM 0 HD1 HIS A 27 7.491 -0.733 -1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.915 -0.708 -3.878 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.528 -1.095 0.125 1.00 0.00 H new ATOM 446 N SER A 28 9.396 2.473 -4.425 1.00 0.00 N ATOM 447 CA SER A 28 10.487 3.378 -4.094 1.00 0.00 C ATOM 448 C SER A 28 9.943 4.684 -3.480 1.00 0.00 C ATOM 449 O SER A 28 10.506 5.196 -2.511 1.00 0.00 O ATOM 450 CB SER A 28 11.296 3.703 -5.357 1.00 0.00 C ATOM 451 OG SER A 28 11.708 2.534 -6.042 1.00 0.00 O ATOM 0 H SER A 28 9.348 2.211 -5.409 1.00 0.00 H new ATOM 0 HA SER A 28 11.131 2.889 -3.363 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.694 4.320 -6.024 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.173 4.291 -5.084 1.00 0.00 H new ATOM 0 HG SER A 28 10.964 2.190 -6.578 1.00 0.00 H new ATOM 457 N ARG A 29 8.766 5.142 -3.962 1.00 0.00 N ATOM 458 CA ARG A 29 8.105 6.325 -3.384 1.00 0.00 C ATOM 459 C ARG A 29 7.810 6.109 -1.892 1.00 0.00 C ATOM 460 O ARG A 29 7.982 7.022 -1.089 1.00 0.00 O ATOM 461 CB ARG A 29 6.798 6.635 -4.139 1.00 0.00 C ATOM 462 CG ARG A 29 6.176 7.994 -3.763 1.00 0.00 C ATOM 463 CD ARG A 29 7.111 9.197 -3.962 1.00 0.00 C ATOM 464 NE ARG A 29 6.356 10.460 -3.922 1.00 0.00 N ATOM 465 CZ ARG A 29 6.184 11.295 -2.901 1.00 0.00 C ATOM 466 NH1 ARG A 29 6.776 11.169 -1.731 1.00 0.00 N ATOM 467 NH2 ARG A 29 5.363 12.305 -3.060 1.00 0.00 N ATOM 0 H ARG A 29 8.263 4.715 -4.739 1.00 0.00 H new ATOM 0 HA ARG A 29 8.781 7.174 -3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.995 6.619 -5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.075 5.845 -3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.277 8.146 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.864 7.961 -2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.876 9.201 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.628 9.107 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 29 5.904 10.731 -4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.414 10.391 -1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.596 11.849 -0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.878 12.433 -3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.210 12.963 -2.296 1.00 0.00 H new ATOM 481 N LYS A 30 7.409 4.882 -1.522 1.00 0.00 N ATOM 482 CA LYS A 30 7.136 4.546 -0.110 1.00 0.00 C ATOM 483 C LYS A 30 8.381 4.782 0.763 1.00 0.00 C ATOM 484 O LYS A 30 8.266 5.211 1.909 1.00 0.00 O ATOM 485 CB LYS A 30 6.685 3.068 0.011 1.00 0.00 C ATOM 486 CG LYS A 30 5.969 2.773 1.346 1.00 0.00 C ATOM 487 CD LYS A 30 6.894 2.311 2.493 1.00 0.00 C ATOM 488 CE LYS A 30 6.264 2.488 3.882 1.00 0.00 C ATOM 489 NZ LYS A 30 6.003 3.909 4.207 1.00 0.00 N ATOM 0 H LYS A 30 7.267 4.110 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 30 6.337 5.197 0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.017 2.827 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.555 2.418 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.441 3.672 1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.215 2.004 1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.148 1.261 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.827 2.874 2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.329 1.930 3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.926 2.062 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.906 4.017 5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.795 4.493 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.125 4.216 3.742 1.00 0.00 H new ATOM 503 N HIS A 31 9.572 4.525 0.202 1.00 0.00 N ATOM 504 CA HIS A 31 10.825 4.645 0.958 1.00 0.00 C ATOM 505 C HIS A 31 11.225 6.129 1.151 1.00 0.00 C ATOM 506 O HIS A 31 11.915 6.466 2.111 1.00 0.00 O ATOM 507 CB HIS A 31 11.946 3.883 0.241 1.00 0.00 C ATOM 508 CG HIS A 31 12.024 2.450 0.704 1.00 0.00 C ATOM 509 ND1 HIS A 31 12.199 2.056 2.007 1.00 0.00 N ATOM 510 CD2 HIS A 31 12.063 1.319 -0.068 1.00 0.00 C ATOM 511 CE1 HIS A 31 12.353 0.725 2.032 1.00 0.00 C ATOM 512 NE2 HIS A 31 12.292 0.237 0.794 1.00 0.00 N ATOM 0 H HIS A 31 9.693 4.234 -0.768 1.00 0.00 H new ATOM 0 HA HIS A 31 10.669 4.209 1.945 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.775 3.910 -0.835 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.899 4.378 0.425 1.00 0.00 H new ATOM 0 HD1 HIS A 31 12.210 2.672 2.820 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.940 1.270 -1.140 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.504 0.135 2.924 1.00 0.00 H new ATOM 520 N THR A 32 10.695 7.016 0.285 1.00 0.00 N ATOM 521 CA THR A 32 10.849 8.487 0.480 1.00 0.00 C ATOM 522 C THR A 32 10.179 8.936 1.800 1.00 0.00 C ATOM 523 O THR A 32 10.477 10.010 2.319 1.00 0.00 O ATOM 524 CB THR A 32 10.233 9.288 -0.688 1.00 0.00 C ATOM 525 OG1 THR A 32 8.822 9.299 -0.718 1.00 0.00 O ATOM 526 CG2 THR A 32 10.765 8.857 -2.056 1.00 0.00 C ATOM 0 H THR A 32 10.164 6.754 -0.545 1.00 0.00 H new ATOM 0 HA THR A 32 11.919 8.690 0.519 1.00 0.00 H new ATOM 0 HB THR A 32 10.559 10.308 -0.483 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.483 8.414 -0.468 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.294 9.457 -2.835 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.845 9.003 -2.089 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.536 7.804 -2.220 1.00 0.00 H new ATOM 592 N TYR A 37 6.779 -0.885 10.975 1.00 0.00 N ATOM 593 CA TYR A 37 6.237 -1.348 12.259 1.00 0.00 C ATOM 594 C TYR A 37 6.879 -2.682 12.665 1.00 0.00 C ATOM 595 O TYR A 37 7.411 -3.397 11.826 1.00 0.00 O ATOM 596 CB TYR A 37 4.722 -1.535 12.144 1.00 0.00 C ATOM 597 CG TYR A 37 3.914 -0.294 11.839 1.00 0.00 C ATOM 598 CD1 TYR A 37 3.868 0.214 10.526 1.00 0.00 C ATOM 599 CD2 TYR A 37 3.186 0.334 12.869 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.126 1.374 10.250 1.00 0.00 C ATOM 601 CE2 TYR A 37 2.404 1.468 12.588 1.00 0.00 C ATOM 602 CZ TYR A 37 2.382 1.989 11.280 1.00 0.00 C ATOM 603 OH TYR A 37 1.577 3.042 10.990 1.00 0.00 O ATOM 0 HA TYR A 37 6.461 -0.599 13.018 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.527 -2.271 11.364 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.358 -1.959 13.080 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.402 -0.288 9.733 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.229 -0.056 13.875 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.125 1.793 9.255 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.824 1.936 13.370 1.00 0.00 H new ATOM 0 HH TYR A 37 1.134 3.350 11.808 1.00 0.00 H new ATOM 613 N GLN A 38 6.791 -3.021 13.958 1.00 0.00 N ATOM 614 CA GLN A 38 7.209 -4.346 14.450 1.00 0.00 C ATOM 615 C GLN A 38 6.138 -4.942 15.381 1.00 0.00 C ATOM 616 O GLN A 38 5.438 -4.208 16.082 1.00 0.00 O ATOM 617 CB GLN A 38 8.549 -4.221 15.199 1.00 0.00 C ATOM 618 CG GLN A 38 9.353 -5.529 15.237 1.00 0.00 C ATOM 619 CD GLN A 38 10.730 -5.372 15.879 1.00 0.00 C ATOM 620 OE1 GLN A 38 11.133 -4.313 16.339 1.00 0.00 O ATOM 621 NE2 GLN A 38 11.503 -6.438 15.915 1.00 0.00 N ATOM 0 H GLN A 38 6.435 -2.399 14.684 1.00 0.00 H new ATOM 0 HA GLN A 38 7.332 -5.014 13.597 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.151 -3.447 14.723 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.356 -3.892 16.220 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.786 -6.280 15.787 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.474 -5.903 14.220 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.170 -7.323 15.532 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.435 -6.379 16.326 1.00 0.00 H new ATOM 630 N CYS A 39 6.073 -6.277 15.429 1.00 0.00 N ATOM 631 CA CYS A 39 5.240 -6.983 16.417 1.00 0.00 C ATOM 632 C CYS A 39 5.905 -6.958 17.807 1.00 0.00 C ATOM 633 O CYS A 39 7.115 -6.739 17.929 1.00 0.00 O ATOM 634 CB CYS A 39 5.022 -8.447 15.977 1.00 0.00 C ATOM 635 SG CYS A 39 3.340 -8.621 15.325 1.00 0.00 S ATOM 0 H CYS A 39 6.585 -6.892 14.797 1.00 0.00 H new ATOM 0 HA CYS A 39 4.278 -6.474 16.478 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.752 -8.724 15.216 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.170 -9.120 16.821 1.00 0.00 H new ATOM 0 HG CYS A 39 2.524 -8.899 16.298 1.00 0.00 H new ATOM 731 N ARG A 46 8.370 -9.695 14.498 1.00 0.00 N ATOM 732 CA ARG A 46 8.591 -9.492 13.064 1.00 0.00 C ATOM 733 C ARG A 46 8.248 -8.070 12.673 1.00 0.00 C ATOM 734 O ARG A 46 7.484 -7.400 13.358 1.00 0.00 O ATOM 735 CB ARG A 46 7.716 -10.476 12.260 1.00 0.00 C ATOM 736 CG ARG A 46 8.070 -11.955 12.510 1.00 0.00 C ATOM 737 CD ARG A 46 6.944 -12.881 12.026 1.00 0.00 C ATOM 738 NE ARG A 46 7.241 -14.298 12.308 1.00 0.00 N ATOM 739 CZ ARG A 46 6.932 -14.984 13.410 1.00 0.00 C ATOM 740 NH1 ARG A 46 6.289 -14.475 14.434 1.00 0.00 N ATOM 741 NH2 ARG A 46 7.286 -16.245 13.512 1.00 0.00 N ATOM 0 HA ARG A 46 9.643 -9.673 12.842 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.669 -10.312 12.516 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.822 -10.259 11.197 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.997 -12.203 11.993 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.246 -12.116 13.574 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.009 -12.602 12.512 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.798 -12.746 10.954 1.00 0.00 H new ATOM 0 HE ARG A 46 7.738 -14.811 11.579 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.994 -13.499 14.417 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.084 -15.056 15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.795 -16.695 12.751 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.052 -16.774 14.352 1.00 0.00 H new ATOM 755 N ARG A 47 8.808 -7.610 11.555 1.00 0.00 N ATOM 756 CA ARG A 47 8.600 -6.237 11.097 1.00 0.00 C ATOM 757 C ARG A 47 7.796 -6.205 9.791 1.00 0.00 C ATOM 758 O ARG A 47 7.852 -7.135 8.984 1.00 0.00 O ATOM 759 CB ARG A 47 9.966 -5.528 10.900 1.00 0.00 C ATOM 760 CG ARG A 47 11.235 -6.346 10.562 1.00 0.00 C ATOM 761 CD ARG A 47 11.318 -6.940 9.147 1.00 0.00 C ATOM 762 NE ARG A 47 10.423 -8.093 8.967 1.00 0.00 N ATOM 763 CZ ARG A 47 10.678 -9.386 9.111 1.00 0.00 C ATOM 764 NH1 ARG A 47 11.873 -9.850 9.403 1.00 0.00 N ATOM 765 NH2 ARG A 47 9.689 -10.242 8.991 1.00 0.00 N ATOM 0 H ARG A 47 9.410 -8.168 10.949 1.00 0.00 H new ATOM 0 HA ARG A 47 8.028 -5.708 11.860 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.835 -4.794 10.105 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.175 -4.973 11.815 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.103 -5.705 10.713 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.314 -7.163 11.279 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.065 -6.170 8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.344 -7.246 8.944 1.00 0.00 H new ATOM 0 HE ARG A 47 9.468 -7.865 8.691 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.654 -9.206 9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.020 -10.854 9.504 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.746 -9.907 8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.864 -11.241 9.098 1.00 0.00 H new ATOM 779 N PHE A 48 7.060 -5.113 9.595 1.00 0.00 N ATOM 780 CA PHE A 48 6.242 -4.912 8.399 1.00 0.00 C ATOM 781 C PHE A 48 6.330 -3.459 7.943 1.00 0.00 C ATOM 782 O PHE A 48 6.339 -2.551 8.761 1.00 0.00 O ATOM 783 CB PHE A 48 4.780 -5.267 8.706 1.00 0.00 C ATOM 784 CG PHE A 48 4.605 -6.700 9.166 1.00 0.00 C ATOM 785 CD1 PHE A 48 4.382 -7.720 8.227 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.787 -7.029 10.523 1.00 0.00 C ATOM 787 CE1 PHE A 48 4.369 -9.061 8.643 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.781 -8.369 10.942 1.00 0.00 C ATOM 789 CZ PHE A 48 4.611 -9.384 9.989 1.00 0.00 C ATOM 0 H PHE A 48 7.013 -4.342 10.261 1.00 0.00 H new ATOM 0 HA PHE A 48 6.613 -5.558 7.604 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.402 -4.595 9.476 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.176 -5.101 7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.221 -7.474 7.188 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.933 -6.243 11.249 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.173 -9.846 7.927 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.906 -8.615 11.986 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.666 -10.419 10.291 1.00 0.00 H new ATOM 799 N SER A 49 6.415 -3.246 6.634 1.00 0.00 N ATOM 800 CA SER A 49 6.636 -1.899 6.085 1.00 0.00 C ATOM 801 C SER A 49 5.306 -1.132 5.897 1.00 0.00 C ATOM 802 O SER A 49 5.304 -0.002 5.406 1.00 0.00 O ATOM 803 CB SER A 49 7.361 -2.006 4.737 1.00 0.00 C ATOM 804 OG SER A 49 6.685 -2.926 3.897 1.00 0.00 O ATOM 0 H SER A 49 6.336 -3.980 5.931 1.00 0.00 H new ATOM 0 HA SER A 49 7.246 -1.343 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.404 -1.027 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.390 -2.330 4.892 1.00 0.00 H new ATOM 0 HG SER A 49 7.152 -2.988 3.038 1.00 0.00 H new ATOM 810 N ARG A 50 4.184 -1.739 6.324 1.00 0.00 N ATOM 811 CA ARG A 50 2.870 -1.082 6.261 1.00 0.00 C ATOM 812 C ARG A 50 2.011 -1.461 7.474 1.00 0.00 C ATOM 813 O ARG A 50 2.006 -2.620 7.914 1.00 0.00 O ATOM 814 CB ARG A 50 2.142 -1.480 4.954 1.00 0.00 C ATOM 815 CG ARG A 50 0.885 -0.624 4.693 1.00 0.00 C ATOM 816 CD ARG A 50 0.496 -0.523 3.209 1.00 0.00 C ATOM 817 NE ARG A 50 -0.013 -1.787 2.643 1.00 0.00 N ATOM 818 CZ ARG A 50 0.066 -2.162 1.365 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.717 -1.466 0.468 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.464 -3.287 0.991 1.00 0.00 N ATOM 0 H ARG A 50 4.163 -2.681 6.715 1.00 0.00 H new ATOM 0 HA ARG A 50 3.025 -0.003 6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.829 -1.377 4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.857 -2.531 5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.048 -1.046 5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.054 0.380 5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.265 0.249 3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.366 -0.202 2.635 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.467 -2.434 3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.188 -0.602 0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.753 -1.788 -0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.938 -3.879 1.673 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.406 -3.578 0.015 1.00 0.00 H new ATOM 834 N SER A 51 1.268 -0.476 7.996 1.00 0.00 N ATOM 835 CA SER A 51 0.388 -0.682 9.152 1.00 0.00 C ATOM 836 C SER A 51 -0.605 -1.811 8.880 1.00 0.00 C ATOM 837 O SER A 51 -0.822 -2.668 9.726 1.00 0.00 O ATOM 838 CB SER A 51 -0.383 0.616 9.461 1.00 0.00 C ATOM 839 OG SER A 51 0.300 1.771 9.005 1.00 0.00 O ATOM 0 H SER A 51 1.260 0.477 7.632 1.00 0.00 H new ATOM 0 HA SER A 51 1.004 -0.955 10.009 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.367 0.571 8.994 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.544 0.693 10.536 1.00 0.00 H new ATOM 0 HG SER A 51 1.040 1.975 9.614 1.00 0.00 H new ATOM 845 N ASP A 52 -1.199 -1.802 7.678 1.00 0.00 N ATOM 846 CA ASP A 52 -2.178 -2.819 7.284 1.00 0.00 C ATOM 847 C ASP A 52 -1.568 -4.233 7.360 1.00 0.00 C ATOM 848 O ASP A 52 -2.196 -5.155 7.874 1.00 0.00 O ATOM 849 CB ASP A 52 -2.666 -2.541 5.851 1.00 0.00 C ATOM 850 CG ASP A 52 -3.820 -3.460 5.406 1.00 0.00 C ATOM 851 OD1 ASP A 52 -4.613 -3.870 6.284 1.00 0.00 O ATOM 852 OD2 ASP A 52 -3.894 -3.737 4.186 1.00 0.00 O ATOM 0 H ASP A 52 -1.016 -1.099 6.962 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.020 -2.771 7.975 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.991 -1.503 5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.830 -2.660 5.161 1.00 0.00 H new ATOM 857 N GLN A 53 -0.318 -4.379 6.890 1.00 0.00 N ATOM 858 CA GLN A 53 0.374 -5.671 6.922 1.00 0.00 C ATOM 859 C GLN A 53 0.588 -6.138 8.361 1.00 0.00 C ATOM 860 O GLN A 53 0.249 -7.268 8.701 1.00 0.00 O ATOM 861 CB GLN A 53 1.731 -5.570 6.202 1.00 0.00 C ATOM 862 CG GLN A 53 1.608 -5.677 4.678 1.00 0.00 C ATOM 863 CD GLN A 53 0.945 -6.980 4.236 1.00 0.00 C ATOM 864 OE1 GLN A 53 -0.190 -6.989 3.790 1.00 0.00 O ATOM 865 NE2 GLN A 53 1.595 -8.123 4.338 1.00 0.00 N ATOM 0 H GLN A 53 0.229 -3.619 6.486 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.251 -6.401 6.407 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.202 -4.621 6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.389 -6.360 6.565 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.029 -4.833 4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.600 -5.607 4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.545 -8.138 4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.147 -8.992 4.046 1.00 0.00 H new ATOM 874 N LEU A 54 1.110 -5.245 9.217 1.00 0.00 N ATOM 875 CA LEU A 54 1.291 -5.557 10.644 1.00 0.00 C ATOM 876 C LEU A 54 -0.062 -5.927 11.299 1.00 0.00 C ATOM 877 O LEU A 54 -0.162 -6.924 12.005 1.00 0.00 O ATOM 878 CB LEU A 54 1.908 -4.338 11.378 1.00 0.00 C ATOM 879 CG LEU A 54 2.122 -4.574 12.895 1.00 0.00 C ATOM 880 CD1 LEU A 54 3.326 -5.471 13.178 1.00 0.00 C ATOM 881 CD2 LEU A 54 2.294 -3.283 13.704 1.00 0.00 C ATOM 0 H LEU A 54 1.412 -4.308 8.949 1.00 0.00 H new ATOM 0 HA LEU A 54 1.964 -6.410 10.726 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.865 -4.093 10.918 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.258 -3.474 11.241 1.00 0.00 H new ATOM 0 HG LEU A 54 1.203 -5.065 13.215 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.434 -5.606 14.254 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.177 -6.441 12.704 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.228 -5.007 12.778 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.439 -3.529 14.756 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.162 -2.736 13.336 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.403 -2.664 13.596 1.00 0.00 H new ATOM 893 N LYS A 55 -1.089 -5.087 11.078 1.00 0.00 N ATOM 894 CA LYS A 55 -2.408 -5.274 11.716 1.00 0.00 C ATOM 895 C LYS A 55 -3.066 -6.579 11.254 1.00 0.00 C ATOM 896 O LYS A 55 -3.613 -7.320 12.068 1.00 0.00 O ATOM 897 CB LYS A 55 -3.326 -4.081 11.387 1.00 0.00 C ATOM 898 CG LYS A 55 -2.928 -2.828 12.187 1.00 0.00 C ATOM 899 CD LYS A 55 -3.367 -2.904 13.663 1.00 0.00 C ATOM 900 CE LYS A 55 -2.550 -1.964 14.556 1.00 0.00 C ATOM 901 NZ LYS A 55 -1.156 -2.435 14.698 1.00 0.00 N ATOM 0 H LYS A 55 -1.033 -4.274 10.465 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.258 -5.330 12.794 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.275 -3.864 10.320 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.360 -4.344 11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.847 -2.699 12.139 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.375 -1.948 11.724 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.424 -2.649 13.740 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.259 -3.928 14.021 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.555 -0.960 14.132 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.016 -1.897 15.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.707 -1.953 15.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.152 -3.462 14.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.627 -2.222 13.828 1.00 0.00 H new ATOM 915 N ARG A 56 -2.965 -6.880 9.949 1.00 0.00 N ATOM 916 CA ARG A 56 -3.418 -8.173 9.416 1.00 0.00 C ATOM 917 C ARG A 56 -2.613 -9.317 10.046 1.00 0.00 C ATOM 918 O ARG A 56 -3.182 -10.274 10.567 1.00 0.00 O ATOM 919 CB ARG A 56 -3.252 -8.198 7.883 1.00 0.00 C ATOM 920 CG ARG A 56 -3.809 -9.487 7.244 1.00 0.00 C ATOM 921 CD ARG A 56 -3.003 -9.932 6.019 1.00 0.00 C ATOM 922 NE ARG A 56 -3.324 -9.171 4.803 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.678 -9.288 3.647 1.00 0.00 C ATOM 924 NH1 ARG A 56 -1.593 -10.024 3.524 1.00 0.00 N ATOM 925 NH2 ARG A 56 -3.113 -8.685 2.570 1.00 0.00 N ATOM 0 H ARG A 56 -2.576 -6.249 9.248 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.471 -8.305 9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.760 -7.335 7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.195 -8.102 7.635 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.807 -10.286 7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.847 -9.325 6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.940 -9.827 6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.188 -10.990 5.836 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.097 -8.507 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.223 -10.527 4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.122 -10.092 2.622 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.958 -8.116 2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.607 -8.784 1.690 1.00 0.00 H new ATOM 939 N HIS A 57 -1.288 -9.156 10.072 1.00 0.00 N ATOM 940 CA HIS A 57 -0.386 -10.171 10.611 1.00 0.00 C ATOM 941 C HIS A 57 -0.683 -10.441 12.105 1.00 0.00 C ATOM 942 O HIS A 57 -0.686 -11.590 12.545 1.00 0.00 O ATOM 943 CB HIS A 57 1.068 -9.698 10.443 1.00 0.00 C ATOM 944 CG HIS A 57 2.024 -10.536 11.227 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.506 -11.780 10.889 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.460 -10.236 12.483 1.00 0.00 C ATOM 947 CE1 HIS A 57 3.204 -12.237 11.937 1.00 0.00 C ATOM 948 NE2 HIS A 57 3.184 -11.334 12.919 1.00 0.00 N ATOM 0 H HIS A 57 -0.814 -8.323 9.722 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.539 -11.101 10.063 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.340 -9.729 9.388 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.150 -8.659 10.763 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.277 -9.323 13.030 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.707 -13.192 11.980 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.625 -11.435 13.833 1.00 0.00 H new ATOM 956 N GLN A 58 -1.037 -9.381 12.843 1.00 0.00 N ATOM 957 CA GLN A 58 -1.394 -9.490 14.262 1.00 0.00 C ATOM 958 C GLN A 58 -2.491 -10.547 14.477 1.00 0.00 C ATOM 959 O GLN A 58 -2.474 -11.279 15.472 1.00 0.00 O ATOM 960 CB GLN A 58 -1.881 -8.120 14.790 1.00 0.00 C ATOM 961 CG GLN A 58 -1.028 -7.575 15.947 1.00 0.00 C ATOM 962 CD GLN A 58 -0.146 -6.394 15.546 1.00 0.00 C ATOM 963 OE1 GLN A 58 -0.627 -5.279 15.371 1.00 0.00 O ATOM 964 NE2 GLN A 58 1.154 -6.563 15.405 1.00 0.00 N ATOM 0 H GLN A 58 -1.084 -8.430 12.476 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.505 -9.799 14.812 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.873 -7.400 13.972 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.915 -8.213 15.123 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.686 -7.268 16.760 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.397 -8.376 16.332 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.567 -7.485 15.548 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.747 -5.772 15.153 1.00 0.00 H new ATOM 973 N ARG A 59 -3.456 -10.609 13.540 1.00 0.00 N ATOM 974 CA ARG A 59 -4.601 -11.531 13.647 1.00 0.00 C ATOM 975 C ARG A 59 -4.126 -12.983 13.821 1.00 0.00 C ATOM 976 O ARG A 59 -4.780 -13.775 14.494 1.00 0.00 O ATOM 977 CB ARG A 59 -5.496 -11.416 12.398 1.00 0.00 C ATOM 978 CG ARG A 59 -5.963 -9.961 12.207 1.00 0.00 C ATOM 979 CD ARG A 59 -6.822 -9.725 10.968 1.00 0.00 C ATOM 980 NE ARG A 59 -6.929 -8.278 10.714 1.00 0.00 N ATOM 981 CZ ARG A 59 -7.271 -7.686 9.576 1.00 0.00 C ATOM 982 NH1 ARG A 59 -7.724 -8.352 8.540 1.00 0.00 N ATOM 983 NH2 ARG A 59 -7.155 -6.384 9.457 1.00 0.00 N ATOM 0 H ARG A 59 -3.465 -10.031 12.700 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.179 -11.252 14.528 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.947 -11.747 11.517 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.360 -12.072 12.500 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.528 -9.656 13.088 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.086 -9.316 12.153 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.381 -10.225 10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.813 -10.154 11.112 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.717 -7.663 11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.825 -9.366 8.590 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.975 -7.856 7.685 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.803 -5.830 10.238 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.417 -5.926 8.584 1.00 0.00 H new ATOM 997 N ARG A 60 -2.977 -13.320 13.204 1.00 0.00 N ATOM 998 CA ARG A 60 -2.411 -14.681 13.285 1.00 0.00 C ATOM 999 C ARG A 60 -2.198 -15.123 14.756 1.00 0.00 C ATOM 1000 O ARG A 60 -2.352 -16.297 15.076 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.069 -14.731 12.527 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.485 -16.147 12.441 1.00 0.00 C ATOM 1003 CD ARG A 60 0.751 -16.174 11.534 1.00 0.00 C ATOM 1004 NE ARG A 60 1.273 -17.543 11.401 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.183 -17.975 10.534 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.716 -17.203 9.611 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.580 -19.227 10.576 1.00 0.00 N ATOM 0 H ARG A 60 -2.424 -12.670 12.645 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.122 -15.369 12.827 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.212 -14.340 11.519 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.352 -14.077 13.024 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.217 -16.496 13.438 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.239 -16.833 12.056 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.494 -15.781 10.550 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.523 -15.524 11.945 1.00 0.00 H new ATOM 0 HE ARG A 60 0.895 -18.237 12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.434 -16.226 9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.411 -17.582 8.968 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.190 -19.863 11.272 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.278 -19.563 9.913 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.860 -14.166 15.643 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.636 -14.474 17.075 1.00 0.00 C ATOM 1023 C HIS A 61 -2.929 -14.301 17.885 1.00 0.00 C ATOM 1024 O HIS A 61 -3.193 -15.064 18.810 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.545 -13.559 17.665 1.00 0.00 C ATOM 1026 CG HIS A 61 0.396 -12.844 16.745 1.00 0.00 C ATOM 1027 ND1 HIS A 61 0.158 -11.632 16.174 1.00 0.00 N ATOM 1028 CD2 HIS A 61 1.712 -13.124 16.542 1.00 0.00 C ATOM 1029 CE1 HIS A 61 1.312 -11.194 15.643 1.00 0.00 C ATOM 1030 NE2 HIS A 61 2.290 -12.076 15.845 1.00 0.00 N ATOM 0 H HIS A 61 -1.737 -13.183 15.400 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.312 -15.513 17.139 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.045 -12.804 18.272 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.058 -14.164 18.342 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -0.737 -11.143 16.153 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.222 -14.017 16.871 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.431 -10.255 15.123 1.00 0.00 H new ATOM 1038 N THR A 62 -3.693 -13.242 17.576 1.00 0.00 N ATOM 1039 CA THR A 62 -4.880 -12.874 18.379 1.00 0.00 C ATOM 1040 C THR A 62 -6.096 -13.761 18.027 1.00 0.00 C ATOM 1041 O THR A 62 -7.090 -13.768 18.750 1.00 0.00 O ATOM 1042 CB THR A 62 -5.260 -11.402 18.155 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.665 -11.178 16.833 1.00 0.00 O ATOM 1044 CG2 THR A 62 -4.114 -10.426 18.443 1.00 0.00 C ATOM 0 H THR A 62 -3.516 -12.626 16.782 1.00 0.00 H new ATOM 0 HA THR A 62 -4.615 -13.029 19.425 1.00 0.00 H new ATOM 0 HB THR A 62 -6.073 -11.216 18.857 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.903 -10.234 16.719 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.452 -9.405 18.264 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.802 -10.528 19.482 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.272 -10.649 17.787 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.979 -14.545 16.941 1.00 0.00 N ATOM 1053 CA GLY A 63 -7.003 -15.550 16.601 1.00 0.00 C ATOM 1054 C GLY A 63 -8.335 -14.926 16.130 1.00 0.00 C ATOM 1055 O GLY A 63 -9.313 -15.641 15.911 1.00 0.00 O ATOM 0 H GLY A 63 -5.195 -14.504 16.290 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.617 -16.202 15.817 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.191 -16.177 17.473 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.369 -13.593 15.994 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.604 -12.885 15.634 1.00 0.00 C ATOM 1061 C VAL A 64 -10.023 -13.218 14.195 1.00 0.00 C ATOM 1062 O VAL A 64 -9.290 -12.948 13.239 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.416 -11.354 15.789 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -9.182 -11.006 17.265 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -8.325 -10.700 14.930 1.00 0.00 C ATOM 0 H VAL A 64 -7.560 -12.987 16.127 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.392 -13.215 16.311 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.347 -10.934 15.410 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.050 -9.929 17.368 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.041 -11.325 17.855 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.288 -11.517 17.622 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.296 -9.629 15.132 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.358 -11.141 15.172 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.545 -10.864 13.875 1.00 0.00 H new ATOM 1075 N LYS A 65 -11.227 -13.787 14.051 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.816 -14.063 12.730 1.00 0.00 C ATOM 1077 C LYS A 65 -13.193 -13.373 12.608 1.00 0.00 C ATOM 1078 O LYS A 65 -14.233 -14.027 12.685 1.00 0.00 O ATOM 1079 CB LYS A 65 -11.966 -15.585 12.525 1.00 0.00 C ATOM 1080 CG LYS A 65 -10.636 -16.335 12.355 1.00 0.00 C ATOM 1081 CD LYS A 65 -10.797 -17.863 12.383 1.00 0.00 C ATOM 1082 CE LYS A 65 -11.149 -18.420 13.769 1.00 0.00 C ATOM 1083 NZ LYS A 65 -10.052 -18.229 14.740 1.00 0.00 N ATOM 0 H LYS A 65 -11.816 -14.067 14.835 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.154 -13.667 11.960 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.499 -16.004 13.379 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.584 -15.762 11.645 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.178 -16.041 11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.952 -16.033 13.148 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.576 -18.151 11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.870 -18.324 12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.049 -17.929 14.139 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.377 -19.483 13.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.243 -18.791 15.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.155 -18.538 14.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.986 -17.223 14.995 1.00 0.00 H new ATOM 1097 N PRO A 66 -13.203 -12.026 12.489 1.00 0.00 N ATOM 1098 CA PRO A 66 -14.435 -11.243 12.495 1.00 0.00 C ATOM 1099 C PRO A 66 -15.195 -11.313 11.162 1.00 0.00 C ATOM 1100 O PRO A 66 -16.400 -11.066 11.118 1.00 0.00 O ATOM 1101 CB PRO A 66 -13.952 -9.811 12.767 1.00 0.00 C ATOM 1102 CG PRO A 66 -12.555 -9.769 12.144 1.00 0.00 C ATOM 1103 CD PRO A 66 -12.022 -11.172 12.424 1.00 0.00 C ATOM 0 HA PRO A 66 -15.142 -11.617 13.235 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.614 -9.073 12.314 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.920 -9.596 13.835 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.594 -9.556 11.076 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.931 -9.000 12.600 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.343 -11.499 11.637 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.463 -11.201 13.360 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.488 -11.666 10.078 1.00 0.00 N ATOM 1112 CA PHE A 67 -15.103 -11.743 8.755 1.00 0.00 C ATOM 1113 C PHE A 67 -15.844 -13.074 8.580 1.00 0.00 C ATOM 1114 O PHE A 67 -15.325 -13.998 7.973 1.00 0.00 O ATOM 1115 CB PHE A 67 -14.019 -11.598 7.655 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.284 -10.272 7.611 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.823 -9.174 6.911 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -12.035 -10.145 8.242 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -13.130 -7.951 6.880 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -11.330 -8.932 8.190 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.880 -7.831 7.513 1.00 0.00 C ATOM 0 H PHE A 67 -13.495 -11.901 10.096 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.821 -10.928 8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.285 -12.392 7.790 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.490 -11.761 6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.768 -9.272 6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.614 -10.987 8.771 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.559 -7.102 6.369 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.366 -8.846 8.670 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.344 -6.894 7.479 1.00 0.00 H new ATOM 1131 N GLN A 68 -17.029 -13.194 9.192 1.00 0.00 N ATOM 1132 CA GLN A 68 -17.799 -14.444 9.110 1.00 0.00 C ATOM 1133 C GLN A 68 -18.757 -14.425 7.920 1.00 0.00 C ATOM 1134 O GLN A 68 -19.477 -13.447 7.705 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.602 -14.632 10.411 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.468 -15.899 10.470 1.00 0.00 C ATOM 1137 CD GLN A 68 -20.181 -16.041 11.815 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -19.587 -15.920 12.874 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -21.473 -16.307 11.856 1.00 0.00 N ATOM 0 H GLN A 68 -17.470 -12.456 9.740 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.102 -15.271 8.974 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -17.906 -14.648 11.249 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.247 -13.764 10.549 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.207 -15.871 9.669 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.842 -16.775 10.297 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -21.999 -16.414 10.989 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -21.945 -16.405 12.755 1.00 0.00 H new ATOM 1148 N CYS A 69 -18.807 -15.550 7.185 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.785 -15.729 6.113 1.00 0.00 C ATOM 1150 C CYS A 69 -21.204 -15.791 6.687 1.00 0.00 C ATOM 1151 O CYS A 69 -21.496 -16.609 7.552 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.494 -17.019 5.336 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.824 -17.203 4.102 1.00 0.00 S ATOM 0 H CYS A 69 -18.180 -16.344 7.318 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.709 -14.877 5.438 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.520 -16.966 4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -19.468 -17.877 6.008 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.310 -17.213 2.908 1.00 0.00 H new ATOM 1158 N LYS A 70 -22.084 -14.915 6.197 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.477 -14.865 6.676 1.00 0.00 C ATOM 1160 C LYS A 70 -24.268 -16.114 6.224 1.00 0.00 C ATOM 1161 O LYS A 70 -25.377 -16.354 6.701 1.00 0.00 O ATOM 1162 CB LYS A 70 -24.167 -13.588 6.147 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.869 -12.327 6.986 1.00 0.00 C ATOM 1164 CD LYS A 70 -22.374 -12.028 7.157 1.00 0.00 C ATOM 1165 CE LYS A 70 -22.106 -10.740 7.932 1.00 0.00 C ATOM 1166 NZ LYS A 70 -20.650 -10.543 8.094 1.00 0.00 N ATOM 0 H LYS A 70 -21.863 -14.232 5.472 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.462 -14.848 7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -23.849 -13.413 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -25.244 -13.751 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -24.349 -11.469 6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -24.320 -12.444 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -21.900 -12.862 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.909 -11.957 6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.540 -9.891 7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.586 -10.787 8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.456 -10.150 9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.163 -11.456 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.306 -9.884 7.366 1.00 0.00 H new ATOM 1180 N THR A 71 -23.669 -16.917 5.330 1.00 0.00 N ATOM 1181 CA THR A 71 -24.320 -18.124 4.795 1.00 0.00 C ATOM 1182 C THR A 71 -23.982 -19.358 5.657 1.00 0.00 C ATOM 1183 O THR A 71 -24.846 -19.883 6.364 1.00 0.00 O ATOM 1184 CB THR A 71 -23.876 -18.395 3.329 1.00 0.00 C ATOM 1185 OG1 THR A 71 -23.271 -17.273 2.721 1.00 0.00 O ATOM 1186 CG2 THR A 71 -25.060 -18.805 2.457 1.00 0.00 C ATOM 0 H THR A 71 -22.732 -16.752 4.962 1.00 0.00 H new ATOM 0 HA THR A 71 -25.396 -17.949 4.818 1.00 0.00 H new ATOM 0 HB THR A 71 -23.147 -19.202 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.324 -17.236 2.972 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.716 -18.987 1.439 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.509 -19.715 2.857 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.802 -18.007 2.452 1.00 0.00 H new ATOM 1194 N CYS A 72 -22.720 -19.815 5.587 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.292 -21.046 6.268 1.00 0.00 C ATOM 1196 C CYS A 72 -21.709 -20.745 7.668 1.00 0.00 C ATOM 1197 O CYS A 72 -21.395 -21.665 8.426 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.239 -21.754 5.420 1.00 0.00 C ATOM 1199 SG CYS A 72 -19.849 -20.630 5.210 1.00 0.00 S ATOM 0 H CYS A 72 -21.979 -19.349 5.064 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.166 -21.685 6.396 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -20.915 -22.675 5.905 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -21.654 -22.033 4.451 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.263 -19.525 4.664 1.00 0.00 H new ATOM 1204 N GLN A 73 -21.569 -19.446 7.994 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.023 -18.998 9.294 1.00 0.00 C ATOM 1206 C GLN A 73 -19.518 -19.335 9.416 1.00 0.00 C ATOM 1207 O GLN A 73 -18.963 -19.340 10.519 1.00 0.00 O ATOM 1208 CB GLN A 73 -21.815 -19.634 10.466 1.00 0.00 C ATOM 1209 CG GLN A 73 -23.348 -19.561 10.296 1.00 0.00 C ATOM 1210 CD GLN A 73 -23.856 -18.226 9.739 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -23.560 -17.157 10.263 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -24.607 -18.248 8.652 1.00 0.00 N ATOM 0 H GLN A 73 -21.828 -18.681 7.371 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.131 -17.915 9.345 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.520 -20.678 10.567 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.538 -19.133 11.393 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -23.667 -20.364 9.632 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -23.818 -19.741 11.263 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -24.851 -19.139 8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -24.942 -17.374 8.246 1.00 0.00 H new ATOM 1221 N ARG A 74 -18.848 -19.541 8.265 1.00 0.00 N ATOM 1222 CA ARG A 74 -17.402 -19.767 8.239 1.00 0.00 C ATOM 1223 C ARG A 74 -16.650 -18.471 8.541 1.00 0.00 C ATOM 1224 O ARG A 74 -16.792 -17.479 7.825 1.00 0.00 O ATOM 1225 CB ARG A 74 -16.972 -20.311 6.862 1.00 0.00 C ATOM 1226 CG ARG A 74 -15.479 -20.689 6.783 1.00 0.00 C ATOM 1227 CD ARG A 74 -15.140 -21.900 7.661 1.00 0.00 C ATOM 1228 NE ARG A 74 -13.695 -22.194 7.673 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.136 -23.269 8.222 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.853 -24.226 8.771 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -11.831 -23.420 8.236 1.00 0.00 N ATOM 0 H ARG A 74 -19.290 -19.554 7.346 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.157 -20.502 9.006 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.573 -21.189 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.188 -19.561 6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.216 -20.908 5.748 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.874 -19.837 7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.479 -21.714 8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.683 -22.773 7.298 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.075 -21.520 7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.871 -24.157 8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.391 -25.037 9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.231 -22.707 7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.418 -24.250 8.661 1.00 0.00 H new ATOM 1245 N LYS A 75 -15.901 -18.467 9.651 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.218 -17.256 10.117 1.00 0.00 C ATOM 1247 C LYS A 75 -13.828 -17.122 9.474 1.00 0.00 C ATOM 1248 O LYS A 75 -13.074 -18.090 9.393 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.073 -17.302 11.646 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.405 -17.383 12.400 1.00 0.00 C ATOM 1251 CD LYS A 75 -16.167 -17.322 13.914 1.00 0.00 C ATOM 1252 CE LYS A 75 -17.505 -17.296 14.656 1.00 0.00 C ATOM 1253 NZ LYS A 75 -17.309 -17.320 16.120 1.00 0.00 N ATOM 0 H LYS A 75 -15.754 -19.286 10.240 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.816 -16.393 9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.462 -18.163 11.916 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.535 -16.413 11.976 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.054 -16.562 12.094 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.920 -18.309 12.143 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.582 -18.185 14.233 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.587 -16.434 14.163 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.061 -16.401 14.376 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.107 -18.153 14.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.234 -17.302 16.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.800 -18.186 16.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.755 -16.489 16.410 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.489 -15.891 9.067 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.191 -15.586 8.455 1.00 0.00 C ATOM 1269 C PHE A 76 -11.550 -14.358 9.128 1.00 0.00 C ATOM 1270 O PHE A 76 -12.243 -13.528 9.720 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.379 -15.301 6.946 1.00 0.00 C ATOM 1272 CG PHE A 76 -12.981 -16.427 6.132 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.164 -17.481 5.684 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.353 -16.421 5.817 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -12.720 -18.527 4.929 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -14.916 -17.477 5.082 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.094 -18.529 4.638 1.00 0.00 C ATOM 0 H PHE A 76 -14.105 -15.082 9.153 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.535 -16.446 8.590 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.013 -14.421 6.838 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.408 -15.049 6.520 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.110 -17.486 5.920 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.976 -15.601 6.142 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.091 -19.329 4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.973 -17.482 4.859 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.522 -19.342 4.071 1.00 0.00 H new ATOM 1287 N SER A 77 -10.222 -14.231 8.990 1.00 0.00 N ATOM 1288 CA SER A 77 -9.484 -13.077 9.546 1.00 0.00 C ATOM 1289 C SER A 77 -9.131 -12.058 8.449 1.00 0.00 C ATOM 1290 O SER A 77 -8.546 -11.014 8.736 1.00 0.00 O ATOM 1291 CB SER A 77 -8.187 -13.554 10.220 1.00 0.00 C ATOM 1292 OG SER A 77 -8.414 -14.355 11.351 1.00 0.00 O ATOM 0 H SER A 77 -9.635 -14.907 8.501 1.00 0.00 H new ATOM 0 HA SER A 77 -10.130 -12.594 10.279 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.595 -14.116 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.595 -12.686 10.510 1.00 0.00 H new ATOM 0 HG SER A 77 -8.955 -13.859 12.000 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.468 -12.380 7.188 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.125 -11.522 6.045 1.00 0.00 C ATOM 1300 C ARG A 78 -10.329 -11.338 5.122 1.00 0.00 C ATOM 1301 O ARG A 78 -11.041 -12.298 4.805 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.955 -12.140 5.258 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.612 -11.983 5.992 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.485 -12.849 5.418 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.176 -12.551 4.006 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.020 -12.774 3.386 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.980 -13.253 4.025 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -3.899 -12.495 2.111 1.00 0.00 N ATOM 0 H ARG A 78 -9.977 -13.228 6.937 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.830 -10.545 6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.153 -13.198 5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.889 -11.667 4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.308 -10.937 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.752 -12.236 7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.586 -12.705 6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.763 -13.899 5.507 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.922 -12.133 3.451 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.046 -13.464 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.105 -13.415 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.690 -12.108 1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.014 -12.665 1.633 1.00 0.00 H new ATOM 1322 N SER A 79 -10.517 -10.102 4.651 1.00 0.00 N ATOM 1323 CA SER A 79 -11.616 -9.769 3.746 1.00 0.00 C ATOM 1324 C SER A 79 -11.420 -10.428 2.371 1.00 0.00 C ATOM 1325 O SER A 79 -12.382 -10.835 1.736 1.00 0.00 O ATOM 1326 CB SER A 79 -11.708 -8.251 3.583 1.00 0.00 C ATOM 1327 OG SER A 79 -10.437 -7.707 3.273 1.00 0.00 O ATOM 0 H SER A 79 -9.916 -9.311 4.885 1.00 0.00 H new ATOM 0 HA SER A 79 -12.542 -10.149 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.417 -8.007 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.088 -7.803 4.501 1.00 0.00 H new ATOM 0 HG SER A 79 -10.513 -6.735 3.170 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.158 -10.520 1.919 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.842 -11.135 0.617 1.00 0.00 C ATOM 1335 C ASP A 80 -10.231 -12.654 0.605 1.00 0.00 C ATOM 1336 O ASP A 80 -10.852 -13.132 -0.354 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.343 -10.950 0.293 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.295 -11.305 1.353 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.399 -12.376 1.984 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.345 -10.506 1.497 1.00 0.00 O ATOM 0 H ASP A 80 -9.345 -10.179 2.431 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.430 -10.635 -0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.125 -11.544 -0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.193 -9.905 0.022 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.943 -13.370 1.716 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.407 -14.760 1.894 1.00 0.00 C ATOM 1347 C HIS A 81 -11.933 -14.815 1.942 1.00 0.00 C ATOM 1348 O HIS A 81 -12.542 -15.657 1.298 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.847 -15.356 3.205 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.377 -15.590 3.390 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.370 -15.447 2.476 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.808 -15.985 4.568 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.216 -15.738 3.103 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.434 -16.017 4.393 1.00 0.00 N ATOM 0 H HIS A 81 -9.395 -13.009 2.497 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.047 -15.341 1.045 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.169 -14.701 4.015 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.343 -16.315 3.355 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.337 -16.230 5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.245 -15.745 2.629 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.730 -16.214 5.105 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.547 -13.926 2.746 1.00 0.00 N ATOM 1363 CA LEU A 82 -14.006 -13.916 2.909 1.00 0.00 C ATOM 1364 C LEU A 82 -14.706 -13.661 1.569 1.00 0.00 C ATOM 1365 O LEU A 82 -15.640 -14.365 1.217 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.422 -12.840 3.930 1.00 0.00 C ATOM 1367 CG LEU A 82 -15.968 -12.683 3.989 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.514 -12.723 5.405 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.455 -11.394 3.317 1.00 0.00 C ATOM 0 H LEU A 82 -12.057 -13.213 3.287 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.311 -14.896 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -14.044 -13.107 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.968 -11.886 3.662 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.350 -13.543 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.598 -12.608 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.260 -13.678 5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.076 -11.912 5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.541 -11.335 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.012 -10.533 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.159 -11.396 2.268 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.245 -12.646 0.826 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.823 -12.315 -0.490 1.00 0.00 C ATOM 1383 C LYS A 83 -14.609 -13.466 -1.477 1.00 0.00 C ATOM 1384 O LYS A 83 -15.489 -13.775 -2.279 1.00 0.00 O ATOM 1385 CB LYS A 83 -14.172 -11.030 -1.038 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.799 -10.571 -2.366 1.00 0.00 C ATOM 1387 CD LYS A 83 -14.139 -9.292 -2.894 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.788 -8.897 -4.224 1.00 0.00 C ATOM 1389 NZ LYS A 83 -14.107 -7.739 -4.836 1.00 0.00 N ATOM 0 H LYS A 83 -13.476 -12.039 1.110 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.894 -12.155 -0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.270 -10.234 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.105 -11.201 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.701 -11.364 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.866 -10.398 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.250 -8.486 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.070 -9.451 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.757 -9.743 -4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.839 -8.658 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.572 -7.498 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.158 -6.925 -4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.110 -7.977 -5.014 1.00 0.00 H new ATOM 1403 N THR A 84 -13.448 -14.124 -1.383 1.00 0.00 N ATOM 1404 CA THR A 84 -13.151 -15.290 -2.221 1.00 0.00 C ATOM 1405 C THR A 84 -14.098 -16.447 -1.887 1.00 0.00 C ATOM 1406 O THR A 84 -14.863 -16.901 -2.745 1.00 0.00 O ATOM 1407 CB THR A 84 -11.700 -15.757 -1.972 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.808 -14.766 -2.423 1.00 0.00 O ATOM 1409 CG2 THR A 84 -11.238 -17.130 -2.459 1.00 0.00 C ATOM 0 H THR A 84 -12.701 -13.869 -0.737 1.00 0.00 H new ATOM 0 HA THR A 84 -13.281 -15.002 -3.264 1.00 0.00 H new ATOM 0 HB THR A 84 -11.695 -15.903 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.522 -14.214 -1.666 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.192 -17.278 -2.192 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.845 -17.905 -1.991 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.348 -17.188 -3.542 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.208 -16.753 -0.591 1.00 0.00 N ATOM 1418 CA HIS A 85 -15.083 -17.812 -0.116 1.00 0.00 C ATOM 1419 C HIS A 85 -16.543 -17.484 -0.421 1.00 0.00 C ATOM 1420 O HIS A 85 -17.304 -18.350 -0.836 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.898 -17.997 1.396 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.070 -18.708 2.004 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.421 -20.027 1.808 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.119 -18.069 2.596 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.681 -20.174 2.255 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.123 -19.010 2.750 1.00 0.00 N ATOM 0 H HIS A 85 -13.694 -16.274 0.148 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.821 -18.736 -0.631 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.987 -18.564 1.587 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.773 -17.024 1.871 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.159 -17.030 2.888 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.250 -21.091 2.220 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.039 -18.846 3.167 1.00 0.00 H new ATOM 1434 N THR A 86 -16.899 -16.211 -0.279 1.00 0.00 N ATOM 1435 CA THR A 86 -18.256 -15.740 -0.533 1.00 0.00 C ATOM 1436 C THR A 86 -18.714 -16.141 -1.931 1.00 0.00 C ATOM 1437 O THR A 86 -19.846 -16.603 -2.113 1.00 0.00 O ATOM 1438 CB THR A 86 -18.327 -14.203 -0.406 1.00 0.00 C ATOM 1439 OG1 THR A 86 -18.093 -13.819 0.925 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.623 -13.521 -0.812 1.00 0.00 C ATOM 0 H THR A 86 -16.255 -15.477 0.015 1.00 0.00 H new ATOM 0 HA THR A 86 -18.911 -16.199 0.208 1.00 0.00 H new ATOM 0 HB THR A 86 -17.567 -13.878 -1.116 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.252 -14.214 1.236 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.528 -12.445 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.832 -13.732 -1.861 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.440 -13.897 -0.197 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.810 -16.016 -2.924 1.00 0.00 N ATOM 1449 CA ARG A 87 -18.164 -16.305 -4.316 1.00 0.00 C ATOM 1450 C ARG A 87 -18.522 -17.787 -4.499 1.00 0.00 C ATOM 1451 O ARG A 87 -19.298 -18.128 -5.388 1.00 0.00 O ATOM 1452 CB ARG A 87 -17.015 -15.911 -5.257 1.00 0.00 C ATOM 1453 CG ARG A 87 -17.135 -14.390 -5.498 1.00 0.00 C ATOM 1454 CD ARG A 87 -16.235 -13.852 -6.611 1.00 0.00 C ATOM 1455 NE ARG A 87 -14.817 -13.923 -6.240 1.00 0.00 N ATOM 1456 CZ ARG A 87 -13.936 -14.800 -6.694 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -14.230 -15.742 -7.565 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -12.701 -14.769 -6.253 1.00 0.00 N ATOM 0 H ARG A 87 -16.844 -15.721 -2.784 1.00 0.00 H new ATOM 0 HA ARG A 87 -19.042 -15.711 -4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -16.050 -16.157 -4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -17.081 -16.458 -6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -18.171 -14.154 -5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -16.897 -13.868 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -16.402 -14.424 -7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -16.503 -12.818 -6.829 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.479 -13.232 -5.570 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -15.180 -15.824 -7.926 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.508 -16.390 -7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.423 -14.071 -5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.018 -15.443 -6.600 1.00 0.00 H new ATOM 1472 N THR A 88 -18.028 -18.647 -3.589 1.00 0.00 N ATOM 1473 CA THR A 88 -18.391 -20.083 -3.578 1.00 0.00 C ATOM 1474 C THR A 88 -19.913 -20.264 -3.531 1.00 0.00 C ATOM 1475 O THR A 88 -20.462 -21.110 -4.232 1.00 0.00 O ATOM 1476 CB THR A 88 -17.786 -20.795 -2.347 1.00 0.00 C ATOM 1477 OG1 THR A 88 -16.457 -20.407 -2.125 1.00 0.00 O ATOM 1478 CG2 THR A 88 -17.824 -22.314 -2.393 1.00 0.00 C ATOM 0 H THR A 88 -17.377 -18.376 -2.852 1.00 0.00 H new ATOM 0 HA THR A 88 -17.993 -20.520 -4.494 1.00 0.00 H new ATOM 0 HB THR A 88 -18.434 -20.476 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.422 -19.772 -1.379 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.376 -22.717 -1.485 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.858 -22.650 -2.468 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.265 -22.666 -3.260 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.594 -19.437 -2.719 1.00 0.00 N ATOM 1487 CA HIS A 89 -22.055 -19.516 -2.583 1.00 0.00 C ATOM 1488 C HIS A 89 -22.760 -18.894 -3.806 1.00 0.00 C ATOM 1489 O HIS A 89 -23.934 -19.156 -4.051 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.497 -18.793 -1.301 1.00 0.00 C ATOM 1491 CG HIS A 89 -22.084 -19.532 -0.049 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.427 -20.831 0.265 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -21.320 -19.050 0.981 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -21.875 -21.123 1.456 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.199 -20.070 1.927 1.00 0.00 N ATOM 0 H HIS A 89 -20.157 -18.711 -2.151 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.338 -20.567 -2.525 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -22.068 -17.791 -1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.581 -18.675 -1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.890 -18.062 1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -21.965 -22.074 1.961 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.691 -20.021 2.810 1.00 0.00 H new ATOM 1503 N THR A 90 -22.023 -18.070 -4.565 1.00 0.00 N ATOM 1504 CA THR A 90 -22.577 -17.385 -5.750 1.00 0.00 C ATOM 1505 C THR A 90 -22.265 -18.160 -7.052 1.00 0.00 C ATOM 1506 O THR A 90 -22.742 -17.794 -8.123 1.00 0.00 O ATOM 1507 CB THR A 90 -21.982 -15.973 -5.880 1.00 0.00 C ATOM 1508 OG1 THR A 90 -20.624 -16.048 -6.243 1.00 0.00 O ATOM 1509 CG2 THR A 90 -22.111 -15.124 -4.613 1.00 0.00 C ATOM 0 H THR A 90 -21.042 -17.860 -4.382 1.00 0.00 H new ATOM 0 HA THR A 90 -23.657 -17.333 -5.611 1.00 0.00 H new ATOM 0 HB THR A 90 -22.567 -15.479 -6.656 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.259 -16.914 -5.965 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.668 -14.143 -4.786 1.00 0.00 H new ATOM 0 HG22 THR A 90 -23.165 -15.007 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 90 -21.592 -15.617 -3.791 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.455 -19.228 -6.941 1.00 0.00 N ATOM 1518 CA GLY A 91 -21.037 -20.008 -8.123 1.00 0.00 C ATOM 1519 C GLY A 91 -20.147 -19.189 -9.103 1.00 0.00 C ATOM 1520 O GLY A 91 -19.861 -19.642 -10.211 1.00 0.00 O ATOM 0 H GLY A 91 -21.080 -19.569 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.490 -20.891 -7.794 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.923 -20.360 -8.652 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.748 -17.974 -8.692 1.00 0.00 N ATOM 1525 CA GLU A 92 -19.002 -17.059 -9.569 1.00 0.00 C ATOM 1526 C GLU A 92 -17.535 -17.525 -9.733 1.00 0.00 C ATOM 1527 O GLU A 92 -16.699 -17.323 -8.845 1.00 0.00 O ATOM 1528 CB GLU A 92 -19.046 -15.627 -8.990 1.00 0.00 C ATOM 1529 CG GLU A 92 -18.855 -14.502 -10.015 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.462 -14.469 -10.636 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -16.564 -13.864 -10.010 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -17.318 -15.066 -11.726 1.00 0.00 O ATOM 0 H GLU A 92 -19.930 -17.604 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.471 -17.063 -10.553 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -20.004 -15.483 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -18.273 -15.537 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -19.594 -14.616 -10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -19.051 -13.545 -9.532 1.00 0.00 H new ATOM 1539 N LYS A 93 -17.239 -18.122 -10.899 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.884 -18.592 -11.232 1.00 0.00 C ATOM 1541 C LYS A 93 -15.368 -17.878 -12.501 1.00 0.00 C ATOM 1542 O LYS A 93 -15.664 -18.300 -13.619 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.903 -20.119 -11.460 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.161 -20.890 -10.156 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.330 -22.397 -10.387 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.632 -23.138 -9.078 1.00 0.00 C ATOM 1547 NZ LYS A 93 -15.483 -23.116 -8.146 1.00 0.00 N ATOM 0 H LYS A 93 -17.927 -18.292 -11.633 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.216 -18.360 -10.403 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.675 -20.368 -12.188 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.950 -20.434 -11.886 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.332 -20.722 -9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -17.057 -20.497 -9.677 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.138 -22.568 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.422 -22.801 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.497 -22.683 -8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -16.898 -24.171 -9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -15.701 -23.699 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -14.641 -23.496 -8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -15.298 -22.138 -7.846 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.661 -16.735 -12.334 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.272 -15.882 -13.452 1.00 0.00 C ATOM 1563 C PRO A 94 -12.976 -16.345 -14.141 1.00 0.00 C ATOM 1564 O PRO A 94 -12.713 -15.977 -15.285 1.00 0.00 O ATOM 1565 CB PRO A 94 -14.079 -14.506 -12.805 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.597 -14.824 -11.389 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.297 -16.141 -11.054 1.00 0.00 C ATOM 0 HA PRO A 94 -15.021 -15.895 -14.243 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.348 -13.908 -13.350 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.009 -13.938 -12.791 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.512 -14.926 -11.349 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.870 -14.036 -10.687 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.638 -16.801 -10.490 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.180 -15.969 -10.438 1.00 0.00 H new ATOM 1575 N PHE A 95 -12.156 -17.140 -13.431 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.857 -17.579 -13.967 1.00 0.00 C ATOM 1577 C PHE A 95 -11.031 -18.780 -14.912 1.00 0.00 C ATOM 1578 O PHE A 95 -10.716 -19.915 -14.557 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.908 -17.945 -12.820 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.587 -16.777 -11.925 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.642 -15.812 -12.325 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.280 -16.629 -10.718 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.394 -14.692 -11.513 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.033 -15.505 -9.907 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.095 -14.537 -10.303 1.00 0.00 C ATOM 0 H PHE A 95 -12.367 -17.488 -12.496 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.427 -16.755 -14.536 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.357 -18.739 -12.224 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.982 -18.343 -13.235 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.108 -15.933 -13.256 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.000 -17.373 -10.411 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.668 -13.953 -11.817 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.567 -15.386 -8.976 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.912 -13.675 -9.679 1.00 0.00 H new ATOM 1595 N SER A 96 -11.521 -18.508 -16.126 1.00 0.00 N ATOM 1596 CA SER A 96 -11.660 -19.539 -17.164 1.00 0.00 C ATOM 1597 C SER A 96 -10.313 -19.821 -17.834 1.00 0.00 C ATOM 1598 O SER A 96 -9.501 -18.911 -18.021 1.00 0.00 O ATOM 1599 CB SER A 96 -12.668 -19.075 -18.224 1.00 0.00 C ATOM 1600 OG SER A 96 -13.085 -20.173 -19.006 1.00 0.00 O ATOM 0 H SER A 96 -11.829 -17.580 -16.416 1.00 0.00 H new ATOM 0 HA SER A 96 -12.015 -20.455 -16.692 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.530 -18.614 -17.741 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.215 -18.315 -18.861 1.00 0.00 H new ATOM 0 HG SER A 96 -12.904 -19.989 -19.951 1.00 0.00 H new ATOM 1606 N CYS A 97 -10.095 -21.082 -18.223 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.850 -21.483 -18.885 1.00 0.00 C ATOM 1608 C CYS A 97 -8.771 -20.896 -20.306 1.00 0.00 C ATOM 1609 O CYS A 97 -9.792 -20.562 -20.918 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.755 -23.018 -18.947 1.00 0.00 C ATOM 1611 SG CYS A 97 -7.189 -23.561 -19.656 1.00 0.00 S ATOM 0 H CYS A 97 -10.764 -21.841 -18.091 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.014 -21.094 -18.304 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.863 -23.430 -17.944 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.579 -23.410 -19.543 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.316 -23.725 -18.706 1.00 0.00 H new ATOM 1616 N ARG A 98 -7.540 -20.734 -20.799 1.00 0.00 N ATOM 1617 CA ARG A 98 -7.282 -20.108 -22.106 1.00 0.00 C ATOM 1618 C ARG A 98 -6.591 -21.098 -23.066 1.00 0.00 C ATOM 1619 O ARG A 98 -6.228 -20.733 -24.184 1.00 0.00 O ATOM 1620 CB ARG A 98 -6.391 -18.858 -21.914 1.00 0.00 C ATOM 1621 CG ARG A 98 -7.138 -17.513 -21.834 1.00 0.00 C ATOM 1622 CD ARG A 98 -8.169 -17.382 -20.699 1.00 0.00 C ATOM 1623 NE ARG A 98 -9.524 -17.769 -21.129 1.00 0.00 N ATOM 1624 CZ ARG A 98 -10.422 -17.022 -21.761 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -10.183 -15.773 -22.105 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -11.596 -17.518 -22.077 1.00 0.00 N ATOM 0 H ARG A 98 -6.696 -21.030 -20.309 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.237 -19.817 -22.544 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.810 -18.985 -21.001 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.681 -18.810 -22.740 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.402 -16.717 -21.723 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.648 -17.346 -22.783 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.864 -18.007 -19.860 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.184 -16.353 -20.341 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.806 -18.726 -20.916 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.282 -15.347 -21.887 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.899 -15.232 -22.590 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.823 -18.483 -21.837 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.281 -16.938 -22.562 1.00 0.00 H new ATOM 1640 N TRP A 99 -6.408 -22.348 -22.617 1.00 0.00 N ATOM 1641 CA TRP A 99 -5.749 -23.370 -23.427 1.00 0.00 C ATOM 1642 C TRP A 99 -6.599 -23.714 -24.672 1.00 0.00 C ATOM 1643 O TRP A 99 -7.829 -23.696 -24.619 1.00 0.00 O ATOM 1644 CB TRP A 99 -5.518 -24.634 -22.586 1.00 0.00 C ATOM 1645 CG TRP A 99 -4.264 -24.565 -21.763 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -4.061 -23.734 -20.717 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -3.002 -25.280 -21.946 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -2.789 -23.908 -20.214 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -2.083 -24.838 -20.946 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -2.531 -26.243 -22.867 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -0.772 -25.333 -20.854 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -1.216 -26.743 -22.787 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -0.340 -26.295 -21.782 1.00 0.00 C ATOM 0 H TRP A 99 -6.709 -22.671 -21.697 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.788 -22.979 -23.762 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -6.372 -24.787 -21.926 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.466 -25.500 -23.246 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -4.789 -23.035 -20.331 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.418 -23.412 -19.404 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.189 -26.601 -23.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.106 -24.979 -20.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -0.878 -27.477 -23.504 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.663 -26.690 -21.724 1.00 0.00 H new ATOM 1664 N PRO A 100 -5.936 -24.062 -25.802 1.00 0.00 N ATOM 1665 CA PRO A 100 -6.617 -24.343 -27.077 1.00 0.00 C ATOM 1666 C PRO A 100 -7.336 -25.717 -27.086 1.00 0.00 C ATOM 1667 O PRO A 100 -7.484 -26.347 -28.135 1.00 0.00 O ATOM 1668 CB PRO A 100 -5.472 -24.314 -28.106 1.00 0.00 C ATOM 1669 CG PRO A 100 -4.254 -24.779 -27.307 1.00 0.00 C ATOM 1670 CD PRO A 100 -4.488 -24.143 -25.939 1.00 0.00 C ATOM 0 HA PRO A 100 -7.409 -23.622 -27.281 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.674 -24.975 -28.949 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.325 -23.314 -28.514 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.201 -25.866 -27.245 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.321 -24.440 -27.757 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.050 -24.746 -25.144 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.030 -23.156 -25.880 1.00 0.00 H new ATOM 1678 N SER A 101 -7.768 -26.173 -25.906 1.00 0.00 N ATOM 1679 CA SER A 101 -8.499 -27.444 -25.772 1.00 0.00 C ATOM 1680 C SER A 101 -9.226 -27.526 -24.412 1.00 0.00 C ATOM 1681 O SER A 101 -9.564 -28.615 -23.951 1.00 0.00 O ATOM 1682 CB SER A 101 -7.521 -28.626 -25.906 1.00 0.00 C ATOM 1683 OG SER A 101 -7.046 -28.720 -27.235 1.00 0.00 O ATOM 0 H SER A 101 -7.625 -25.681 -25.024 1.00 0.00 H new ATOM 0 HA SER A 101 -9.245 -27.492 -26.565 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.683 -28.493 -25.221 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.019 -29.553 -25.624 1.00 0.00 H new ATOM 0 HG SER A 101 -7.487 -28.042 -27.789 1.00 0.00 H new ATOM 1689 N CYS A 102 -9.458 -26.360 -23.778 1.00 0.00 N ATOM 1690 CA CYS A 102 -10.112 -26.306 -22.469 1.00 0.00 C ATOM 1691 C CYS A 102 -10.975 -25.040 -22.331 1.00 0.00 C ATOM 1692 O CYS A 102 -10.855 -24.093 -23.118 1.00 0.00 O ATOM 1693 CB CYS A 102 -9.049 -26.324 -21.360 1.00 0.00 C ATOM 1694 SG CYS A 102 -9.813 -26.507 -19.716 1.00 0.00 S ATOM 0 H CYS A 102 -9.200 -25.448 -24.156 1.00 0.00 H new ATOM 0 HA CYS A 102 -10.761 -27.177 -22.376 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -8.353 -27.145 -21.534 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.469 -25.402 -21.394 1.00 0.00 H new ATOM 0 HG CYS A 102 -9.424 -25.535 -18.946 1.00 0.00 H new ATOM 1699 N GLN A 103 -11.797 -25.018 -21.280 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.525 -23.818 -20.880 1.00 0.00 C ATOM 1701 C GLN A 103 -13.106 -23.995 -19.461 1.00 0.00 C ATOM 1702 O GLN A 103 -14.176 -23.471 -19.142 1.00 0.00 O ATOM 1703 CB GLN A 103 -13.662 -23.517 -21.895 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.022 -22.021 -22.006 1.00 0.00 C ATOM 1705 CD GLN A 103 -12.819 -21.074 -22.094 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -12.825 -19.990 -21.517 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -11.731 -21.439 -22.746 1.00 0.00 N ATOM 0 H GLN A 103 -11.974 -25.828 -20.687 1.00 0.00 H new ATOM 0 HA GLN A 103 -11.834 -22.975 -20.871 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.364 -23.883 -22.878 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.552 -24.074 -21.604 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.645 -21.876 -22.888 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.624 -21.742 -21.141 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.704 -22.335 -23.232 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.917 -20.825 -22.764 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.370 -24.731 -18.608 1.00 0.00 N ATOM 1717 CA LYS A 104 -12.764 -24.927 -17.212 1.00 0.00 C ATOM 1718 C LYS A 104 -12.554 -23.644 -16.427 1.00 0.00 C ATOM 1719 O LYS A 104 -11.642 -22.873 -16.725 1.00 0.00 O ATOM 1720 CB LYS A 104 -11.939 -26.065 -16.585 1.00 0.00 C ATOM 1721 CG LYS A 104 -12.280 -27.411 -17.246 1.00 0.00 C ATOM 1722 CD LYS A 104 -11.482 -28.578 -16.646 1.00 0.00 C ATOM 1723 CE LYS A 104 -11.357 -29.730 -17.651 1.00 0.00 C ATOM 1724 NZ LYS A 104 -10.336 -29.447 -18.685 1.00 0.00 N ATOM 0 H LYS A 104 -11.500 -25.197 -18.867 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.820 -25.195 -17.179 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.875 -25.856 -16.701 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.139 -26.119 -15.515 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.346 -27.608 -17.133 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.078 -27.349 -18.315 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.489 -28.234 -16.356 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.974 -28.932 -15.740 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.095 -30.647 -17.123 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.321 -29.902 -18.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.648 -29.837 -19.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.208 -28.419 -18.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.434 -29.886 -18.411 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.435 -23.388 -15.459 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.451 -22.107 -14.753 1.00 0.00 C ATOM 1740 C LYS A 105 -13.186 -22.294 -13.272 1.00 0.00 C ATOM 1741 O LYS A 105 -13.699 -23.223 -12.651 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.810 -21.416 -14.954 1.00 0.00 C ATOM 1743 CG LYS A 105 -15.183 -21.326 -16.440 1.00 0.00 C ATOM 1744 CD LYS A 105 -16.220 -20.242 -16.735 1.00 0.00 C ATOM 1745 CE LYS A 105 -16.442 -20.190 -18.248 1.00 0.00 C ATOM 1746 NZ LYS A 105 -17.408 -19.139 -18.617 1.00 0.00 N ATOM 0 H LYS A 105 -14.146 -24.050 -15.147 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.658 -21.483 -15.166 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.582 -21.967 -14.417 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.777 -20.414 -14.525 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.283 -21.128 -17.023 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.570 -22.290 -16.770 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -17.156 -20.462 -16.221 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.874 -19.276 -16.368 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.492 -20.005 -18.750 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.804 -21.157 -18.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.535 -19.131 -19.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -18.321 -19.330 -18.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.050 -18.214 -18.305 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.407 -21.375 -12.704 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.076 -21.398 -11.275 1.00 0.00 C ATOM 1762 C PHE A 106 -12.449 -20.083 -10.617 1.00 0.00 C ATOM 1763 O PHE A 106 -12.667 -19.076 -11.294 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.576 -21.665 -11.092 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.215 -23.015 -11.675 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.422 -24.190 -10.927 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.867 -23.102 -13.033 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.309 -25.446 -11.549 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.792 -24.353 -13.665 1.00 0.00 C ATOM 1770 CZ PHE A 106 -10.021 -25.525 -12.923 1.00 0.00 C ATOM 0 H PHE A 106 -11.989 -20.597 -13.215 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.646 -22.197 -10.800 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.997 -20.882 -11.581 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.320 -21.637 -10.033 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.667 -24.127 -9.877 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.656 -22.203 -13.593 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.443 -26.349 -10.972 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.559 -24.415 -14.718 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.976 -26.488 -13.409 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.536 -20.093 -9.287 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.903 -18.905 -8.535 1.00 0.00 C ATOM 1782 C ALA A 107 -11.657 -18.164 -8.027 1.00 0.00 C ATOM 1783 O ALA A 107 -11.765 -17.060 -7.499 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.798 -19.298 -7.349 1.00 0.00 C ATOM 0 H ALA A 107 -12.356 -20.916 -8.712 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.449 -18.235 -9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.071 -18.405 -6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.701 -19.784 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.258 -19.985 -6.697 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.472 -18.764 -8.221 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.217 -18.142 -7.799 1.00 0.00 C ATOM 1792 C ARG A 108 -8.164 -18.224 -8.906 1.00 0.00 C ATOM 1793 O ARG A 108 -8.072 -19.222 -9.632 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.695 -18.820 -6.528 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.782 -19.122 -5.478 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.234 -19.284 -4.060 1.00 0.00 C ATOM 1797 NE ARG A 108 -7.967 -20.021 -4.022 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.458 -20.594 -2.947 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.096 -20.564 -1.805 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.305 -21.198 -3.031 1.00 0.00 N ATOM 0 H ARG A 108 -10.362 -19.675 -8.666 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.412 -17.090 -7.591 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.203 -19.753 -6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.936 -18.182 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.516 -18.316 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.307 -20.034 -5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.090 -18.299 -3.616 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.971 -19.805 -3.448 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.439 -20.097 -4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.999 -20.094 -1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.691 -21.011 -0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.807 -21.224 -3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.902 -21.644 -2.207 1.00 0.00 H new ATOM 1814 N SER A 109 -7.358 -17.171 -9.013 1.00 0.00 N ATOM 1815 CA SER A 109 -6.314 -17.090 -10.027 1.00 0.00 C ATOM 1816 C SER A 109 -5.302 -18.232 -9.864 1.00 0.00 C ATOM 1817 O SER A 109 -4.931 -18.880 -10.835 1.00 0.00 O ATOM 1818 CB SER A 109 -5.588 -15.736 -9.922 1.00 0.00 C ATOM 1819 OG SER A 109 -5.295 -15.411 -8.575 1.00 0.00 O ATOM 0 H SER A 109 -7.410 -16.355 -8.403 1.00 0.00 H new ATOM 0 HA SER A 109 -6.781 -17.180 -11.008 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.664 -15.771 -10.499 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.208 -14.954 -10.360 1.00 0.00 H new ATOM 0 HG SER A 109 -4.833 -14.548 -8.540 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.907 -18.510 -8.615 1.00 0.00 N ATOM 1826 CA ASP A 110 -3.967 -19.596 -8.323 1.00 0.00 C ATOM 1827 C ASP A 110 -4.597 -20.987 -8.617 1.00 0.00 C ATOM 1828 O ASP A 110 -3.900 -21.904 -9.040 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.514 -19.523 -6.867 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.591 -19.816 -5.823 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.730 -19.324 -5.984 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.252 -20.507 -4.839 1.00 0.00 O ATOM 0 H ASP A 110 -5.224 -17.997 -7.792 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.102 -19.474 -8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.695 -20.228 -6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.114 -18.527 -6.680 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.919 -21.124 -8.395 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.634 -22.367 -8.753 1.00 0.00 C ATOM 1839 C GLU A 111 -6.528 -22.620 -10.258 1.00 0.00 C ATOM 1840 O GLU A 111 -6.246 -23.741 -10.685 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.123 -22.281 -8.350 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.448 -22.704 -6.908 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.965 -22.765 -6.617 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.744 -22.126 -7.372 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.327 -23.426 -5.620 1.00 0.00 O ATOM 0 H GLU A 111 -6.506 -20.403 -7.976 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.171 -23.192 -8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.461 -21.254 -8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.702 -22.905 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.008 -23.683 -6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.980 -22.003 -6.217 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.687 -21.552 -11.060 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.510 -21.651 -12.511 1.00 0.00 C ATOM 1854 C LEU A 112 -5.036 -21.968 -12.869 1.00 0.00 C ATOM 1855 O LEU A 112 -4.775 -22.789 -13.742 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.951 -20.347 -13.195 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.765 -20.396 -14.730 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.606 -21.486 -15.406 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -7.116 -19.059 -15.383 1.00 0.00 C ATOM 0 H LEU A 112 -6.936 -20.620 -10.727 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.134 -22.468 -12.872 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.999 -20.155 -12.964 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.377 -19.514 -12.788 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.710 -20.626 -14.876 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.430 -21.467 -16.481 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.324 -22.461 -15.009 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.663 -21.305 -15.208 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.973 -19.132 -16.461 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.156 -18.812 -15.171 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.469 -18.278 -14.983 1.00 0.00 H new ATOM 1871 N VAL A 113 -4.080 -21.339 -12.156 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.638 -21.636 -12.354 1.00 0.00 C ATOM 1873 C VAL A 113 -2.364 -23.127 -12.105 1.00 0.00 C ATOM 1874 O VAL A 113 -1.718 -23.793 -12.914 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.769 -20.780 -11.392 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.286 -21.186 -11.429 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.813 -19.277 -11.691 1.00 0.00 C ATOM 0 H VAL A 113 -4.271 -20.631 -11.447 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.376 -21.389 -13.383 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.208 -20.973 -10.413 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.280 -20.559 -10.740 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.187 -22.231 -11.134 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.102 -21.056 -12.439 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.182 -18.746 -10.978 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.449 -19.096 -12.702 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.839 -18.919 -11.605 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.892 -23.647 -10.989 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.756 -25.070 -10.661 1.00 0.00 C ATOM 1889 C ARG A 114 -3.393 -25.937 -11.756 1.00 0.00 C ATOM 1890 O ARG A 114 -2.765 -26.860 -12.263 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.421 -25.364 -9.305 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.273 -26.847 -8.920 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.823 -27.138 -7.524 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.965 -26.564 -6.477 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.137 -26.702 -5.170 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.158 -27.359 -4.673 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.285 -26.160 -4.333 1.00 0.00 N ATOM 0 H ARG A 114 -3.415 -23.105 -10.301 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.695 -25.312 -10.598 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.971 -24.739 -8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.478 -25.102 -9.351 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.796 -27.464 -9.651 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.221 -27.128 -8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.830 -26.729 -7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.903 -28.216 -7.380 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.166 -26.010 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.846 -27.780 -5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.264 -27.449 -3.662 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.488 -25.631 -4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.419 -26.267 -3.328 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.612 -25.574 -12.175 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.310 -26.290 -13.250 1.00 0.00 C ATOM 1913 C HIS A 115 -4.469 -26.307 -14.543 1.00 0.00 C ATOM 1914 O HIS A 115 -4.307 -27.351 -15.166 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.663 -25.630 -13.517 1.00 0.00 C ATOM 1916 CG HIS A 115 -7.214 -25.936 -14.881 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.835 -27.103 -15.273 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.053 -25.148 -15.988 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -8.056 -26.998 -16.595 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.625 -25.817 -17.043 1.00 0.00 N ATOM 0 H HIS A 115 -5.135 -24.789 -11.786 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.464 -27.321 -12.931 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.376 -25.961 -12.762 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.561 -24.550 -13.408 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.568 -24.184 -16.025 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.516 -27.760 -17.207 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.706 -25.472 -17.999 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.898 -25.153 -14.905 1.00 0.00 N ATOM 1929 CA HIS A 116 -3.013 -25.055 -16.070 1.00 0.00 C ATOM 1930 C HIS A 116 -1.820 -26.032 -15.941 1.00 0.00 C ATOM 1931 O HIS A 116 -1.343 -26.569 -16.939 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.497 -23.618 -16.226 1.00 0.00 C ATOM 1933 CG HIS A 116 -3.483 -22.608 -16.777 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -4.612 -22.837 -17.546 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -3.322 -21.249 -16.695 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -5.096 -21.640 -17.916 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -4.346 -20.643 -17.425 1.00 0.00 N ATOM 0 H HIS A 116 -4.033 -24.273 -14.407 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.588 -25.327 -16.956 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.158 -23.268 -15.251 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.625 -23.636 -16.879 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -2.538 -20.736 -16.158 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.974 -21.499 -18.529 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.494 -19.643 -17.558 1.00 0.00 H new ATOM 1945 N ASN A 117 -1.352 -26.263 -14.700 1.00 0.00 N ATOM 1946 CA ASN A 117 -0.247 -27.202 -14.453 1.00 0.00 C ATOM 1947 C ASN A 117 -0.662 -28.665 -14.800 1.00 0.00 C ATOM 1948 O ASN A 117 0.194 -29.531 -14.974 1.00 0.00 O ATOM 1949 CB ASN A 117 0.192 -27.117 -12.975 1.00 0.00 C ATOM 1950 CG ASN A 117 1.652 -27.486 -12.735 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.364 -26.811 -12.010 1.00 0.00 O ATOM 1952 ND2 ASN A 117 2.150 -28.557 -13.318 1.00 0.00 N ATOM 0 H ASN A 117 -1.720 -25.815 -13.861 1.00 0.00 H new ATOM 0 HA ASN A 117 0.587 -26.924 -15.098 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.021 -26.103 -12.615 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -0.440 -27.777 -12.381 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.124 -28.816 -13.162 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.562 -29.127 -13.926 1.00 0.00 H new ATOM 1959 N MET A 118 -1.981 -28.905 -14.939 1.00 0.00 N ATOM 1960 CA MET A 118 -2.504 -30.223 -15.352 1.00 0.00 C ATOM 1961 C MET A 118 -2.557 -30.342 -16.897 1.00 0.00 C ATOM 1962 O MET A 118 -2.924 -31.388 -17.429 1.00 0.00 O ATOM 1963 CB MET A 118 -3.918 -30.436 -14.774 1.00 0.00 C ATOM 1964 CG MET A 118 -4.058 -30.146 -13.274 1.00 0.00 C ATOM 1965 SD MET A 118 -5.753 -30.348 -12.662 1.00 0.00 S ATOM 1966 CE MET A 118 -5.524 -29.796 -10.952 1.00 0.00 C ATOM 0 H MET A 118 -2.703 -28.204 -14.772 1.00 0.00 H new ATOM 0 HA MET A 118 -1.830 -30.988 -14.966 1.00 0.00 H new ATOM 0 HB2 MET A 118 -4.616 -29.799 -15.318 1.00 0.00 H new ATOM 0 HB3 MET A 118 -4.217 -31.468 -14.958 1.00 0.00 H new ATOM 0 HG2 MET A 118 -3.397 -30.811 -12.719 1.00 0.00 H new ATOM 0 HG3 MET A 118 -3.726 -29.127 -13.075 1.00 0.00 H new ATOM 0 HE1 MET A 118 -6.451 -29.938 -10.397 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.729 -30.378 -10.485 1.00 0.00 H new ATOM 0 HE3 MET A 118 -5.254 -28.740 -10.944 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.158 -29.267 -17.600 1.00 0.00 N ATOM 1977 CA HIS A 119 -2.105 -29.267 -19.065 1.00 0.00 C ATOM 1978 C HIS A 119 -0.655 -29.342 -19.547 1.00 0.00 C ATOM 1979 O HIS A 119 -0.386 -29.792 -20.660 1.00 0.00 O ATOM 1980 CB HIS A 119 -2.763 -27.995 -19.616 1.00 0.00 C ATOM 1981 CG HIS A 119 -4.263 -27.914 -19.504 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -5.151 -28.878 -19.934 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -4.988 -26.797 -19.175 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -6.383 -28.345 -19.872 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -6.321 -27.086 -19.442 1.00 0.00 N ATOM 0 H HIS A 119 -1.868 -28.388 -17.172 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.646 -30.141 -19.429 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.335 -27.137 -19.098 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.493 -27.899 -20.668 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.916 -29.821 -20.242 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.597 -25.870 -18.783 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -7.294 -28.864 -20.134 1.00 0.00 H new