USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 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 82 SER OG : rot -158:sc= 1.07 USER MOD Set 1.2: A 87 HIS : no HE2:sc= -5.98! C(o=-4.9!,f=-11!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -5.56! C(o=-6.1!,f=-0.92!) USER MOD Set 2.2: A 40 SER OG : rot -172:sc= 0.354 USER MOD Set 2.3: A 45 SER OG : rot -177:sc= -0.87 USER MOD Set 3.1: A 7 LYS NZ :NH3+ 170:sc= -0.0125 (180deg=0) USER MOD Set 3.2: A 51 ASN : amide:sc= -1.46 K(o=-1.5,f=0.091) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0729 (180deg=0) USER MOD Single : A 3 SER OG : rot 118:sc= 0.172 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -142:sc= -3.28! USER MOD Single : A 9 SER OG : rot 115:sc= 1.28 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -153:sc= -0.791 (180deg=-2.58!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0367 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.098) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0404) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.29) USER MOD Single : A 77 SER OG : rot 120:sc= -0.0465 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= -0.0377 (180deg=-0.0377) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.976 -0.249 -0.221 1.00 71.30 N ATOM 2 CA GLY A 1 -0.552 0.029 -0.234 1.00 1.34 C ATOM 3 C GLY A 1 -0.233 1.397 -0.803 1.00 42.31 C ATOM 4 O GLY A 1 -1.116 2.232 -1.002 1.00 20.24 O ATOM 0 H1 GLY A 1 -2.275 -0.485 0.747 1.00 71.30 H new ATOM 0 H2 GLY A 1 -2.496 0.589 -0.549 1.00 71.30 H new ATOM 0 H3 GLY A 1 -2.179 -1.051 -0.851 1.00 71.30 H new ATOM 0 HA2 GLY A 1 -0.163 -0.038 0.782 1.00 1.34 H new ATOM 0 HA3 GLY A 1 -0.042 -0.734 -0.822 1.00 1.34 H new ATOM 8 N PRO A 2 1.058 1.643 -1.075 1.00 74.30 N ATOM 9 CA PRO A 2 1.520 2.920 -1.628 1.00 63.42 C ATOM 10 C PRO A 2 1.076 3.120 -3.073 1.00 40.01 C ATOM 11 O PRO A 2 1.476 2.372 -3.965 1.00 4.41 O ATOM 12 CB PRO A 2 3.045 2.808 -1.548 1.00 52.22 C ATOM 13 CG PRO A 2 3.320 1.344 -1.572 1.00 14.01 C ATOM 14 CD PRO A 2 2.163 0.694 -0.864 1.00 43.04 C ATOM 0 HA PRO A 2 1.112 3.772 -1.085 1.00 63.42 H new ATOM 0 HB2 PRO A 2 3.523 3.314 -2.386 1.00 52.22 H new ATOM 0 HB3 PRO A 2 3.428 3.268 -0.637 1.00 52.22 H new ATOM 0 HG2 PRO A 2 3.406 0.980 -2.596 1.00 14.01 H new ATOM 0 HG3 PRO A 2 4.261 1.115 -1.073 1.00 14.01 H new ATOM 0 HD2 PRO A 2 1.936 -0.287 -1.282 1.00 43.04 H new ATOM 0 HD3 PRO A 2 2.371 0.548 0.196 1.00 43.04 H new ATOM 22 N SER A 3 0.247 4.135 -3.297 1.00 11.22 N ATOM 23 CA SER A 3 -0.254 4.432 -4.633 1.00 1.41 C ATOM 24 C SER A 3 0.153 5.837 -5.067 1.00 32.42 C ATOM 25 O SER A 3 0.435 6.698 -4.234 1.00 72.12 O ATOM 26 CB SER A 3 -1.778 4.296 -4.671 1.00 40.03 C ATOM 27 OG SER A 3 -2.387 5.100 -3.677 1.00 4.35 O ATOM 0 H SER A 3 -0.092 4.765 -2.570 1.00 11.22 H new ATOM 0 HA SER A 3 0.186 3.715 -5.326 1.00 1.41 H new ATOM 0 HB2 SER A 3 -2.148 4.586 -5.655 1.00 40.03 H new ATOM 0 HB3 SER A 3 -2.057 3.253 -4.521 1.00 40.03 H new ATOM 0 HG SER A 3 -2.960 5.771 -4.104 1.00 4.35 H new ATOM 33 N ASN A 4 0.181 6.060 -6.376 1.00 41.23 N ATOM 34 CA ASN A 4 0.555 7.361 -6.922 1.00 23.45 C ATOM 35 C ASN A 4 -0.663 8.271 -7.043 1.00 33.53 C ATOM 36 O ASN A 4 -0.543 9.495 -7.017 1.00 3.12 O ATOM 37 CB ASN A 4 1.217 7.191 -8.291 1.00 53.11 C ATOM 38 CG ASN A 4 2.667 6.762 -8.183 1.00 3.43 C ATOM 39 OD1 ASN A 4 3.561 7.593 -8.019 1.00 72.23 O ATOM 40 ND2 ASN A 4 2.907 5.459 -8.275 1.00 73.30 N ATOM 0 H ASN A 4 -0.050 5.358 -7.079 1.00 41.23 H new ATOM 0 HA ASN A 4 1.265 7.824 -6.237 1.00 23.45 H new ATOM 0 HB2 ASN A 4 0.664 6.451 -8.869 1.00 53.11 H new ATOM 0 HB3 ASN A 4 1.159 8.132 -8.839 1.00 53.11 H new ATOM 0 HD21 ASN A 4 3.863 5.111 -8.210 1.00 73.30 H new ATOM 0 HD22 ASN A 4 2.135 4.807 -8.411 1.00 73.30 H new ATOM 47 N LYS A 5 -1.838 7.663 -7.173 1.00 4.13 N ATOM 48 CA LYS A 5 -3.080 8.417 -7.296 1.00 33.53 C ATOM 49 C LYS A 5 -4.093 7.971 -6.245 1.00 61.54 C ATOM 50 O LYS A 5 -3.967 6.890 -5.669 1.00 35.53 O ATOM 51 CB LYS A 5 -3.671 8.240 -8.697 1.00 15.11 C ATOM 52 CG LYS A 5 -3.276 6.935 -9.364 1.00 20.21 C ATOM 53 CD LYS A 5 -3.896 6.804 -10.745 1.00 43.10 C ATOM 54 CE LYS A 5 -3.064 7.521 -11.798 1.00 74.10 C ATOM 55 NZ LYS A 5 -3.545 7.229 -13.177 1.00 51.24 N ATOM 0 H LYS A 5 -1.956 6.650 -7.196 1.00 4.13 H new ATOM 0 HA LYS A 5 -2.854 9.471 -7.134 1.00 33.53 H new ATOM 0 HB2 LYS A 5 -4.758 8.291 -8.633 1.00 15.11 H new ATOM 0 HB3 LYS A 5 -3.350 9.071 -9.325 1.00 15.11 H new ATOM 0 HG2 LYS A 5 -2.190 6.881 -9.445 1.00 20.21 H new ATOM 0 HG3 LYS A 5 -3.591 6.097 -8.742 1.00 20.21 H new ATOM 0 HD2 LYS A 5 -3.986 5.750 -11.006 1.00 43.10 H new ATOM 0 HD3 LYS A 5 -4.905 7.217 -10.733 1.00 43.10 H new ATOM 0 HE2 LYS A 5 -3.101 8.596 -11.620 1.00 74.10 H new ATOM 0 HE3 LYS A 5 -2.021 7.218 -11.705 1.00 74.10 H new ATOM 0 HZ1 LYS A 5 -2.953 7.736 -13.866 1.00 51.24 H new ATOM 0 HZ2 LYS A 5 -3.486 6.206 -13.356 1.00 51.24 H new ATOM 0 HZ3 LYS A 5 -4.532 7.541 -13.274 1.00 51.24 H new ATOM 69 N ILE A 6 -5.096 8.807 -6.005 1.00 1.32 N ATOM 70 CA ILE A 6 -6.131 8.498 -5.026 1.00 22.41 C ATOM 71 C ILE A 6 -7.456 9.150 -5.403 1.00 35.24 C ATOM 72 O ILE A 6 -7.484 10.207 -6.034 1.00 74.01 O ATOM 73 CB ILE A 6 -5.727 8.960 -3.614 1.00 15.34 C ATOM 74 CG1 ILE A 6 -5.450 10.465 -3.606 1.00 63.02 C ATOM 75 CG2 ILE A 6 -4.507 8.189 -3.133 1.00 35.32 C ATOM 76 CD1 ILE A 6 -5.779 11.133 -2.289 1.00 24.04 C ATOM 0 H ILE A 6 -5.215 9.704 -6.475 1.00 1.32 H new ATOM 0 HA ILE A 6 -6.250 7.414 -5.024 1.00 22.41 H new ATOM 0 HB ILE A 6 -6.553 8.758 -2.932 1.00 15.34 H new ATOM 0 HG12 ILE A 6 -4.398 10.634 -3.837 1.00 63.02 H new ATOM 0 HG13 ILE A 6 -6.030 10.937 -4.399 1.00 63.02 H new ATOM 0 HG21 ILE A 6 -4.234 8.527 -2.133 1.00 35.32 H new ATOM 0 HG22 ILE A 6 -4.737 7.124 -3.106 1.00 35.32 H new ATOM 0 HG23 ILE A 6 -3.675 8.363 -3.815 1.00 35.32 H new ATOM 0 HD11 ILE A 6 -5.558 12.198 -2.356 1.00 24.04 H new ATOM 0 HD12 ILE A 6 -6.837 10.995 -2.065 1.00 24.04 H new ATOM 0 HD13 ILE A 6 -5.180 10.687 -1.495 1.00 24.04 H new ATOM 88 N LYS A 7 -8.555 8.514 -5.009 1.00 51.24 N ATOM 89 CA LYS A 7 -9.886 9.033 -5.302 1.00 43.42 C ATOM 90 C LYS A 7 -10.181 10.276 -4.469 1.00 72.10 C ATOM 91 O LYS A 7 -9.713 10.400 -3.336 1.00 42.53 O ATOM 92 CB LYS A 7 -10.944 7.961 -5.032 1.00 35.02 C ATOM 93 CG LYS A 7 -11.742 7.569 -6.264 1.00 73.23 C ATOM 94 CD LYS A 7 -13.119 7.043 -5.893 1.00 44.52 C ATOM 95 CE LYS A 7 -14.215 8.015 -6.303 1.00 41.43 C ATOM 96 NZ LYS A 7 -14.650 7.798 -7.711 1.00 55.10 N ATOM 0 H LYS A 7 -8.550 7.638 -4.486 1.00 51.24 H new ATOM 0 HA LYS A 7 -9.918 9.309 -6.356 1.00 43.42 H new ATOM 0 HB2 LYS A 7 -10.456 7.074 -4.629 1.00 35.02 H new ATOM 0 HB3 LYS A 7 -11.629 8.324 -4.266 1.00 35.02 H new ATOM 0 HG2 LYS A 7 -11.846 8.433 -6.921 1.00 73.23 H new ATOM 0 HG3 LYS A 7 -11.199 6.807 -6.823 1.00 73.23 H new ATOM 0 HD2 LYS A 7 -13.285 6.081 -6.377 1.00 44.52 H new ATOM 0 HD3 LYS A 7 -13.167 6.871 -4.818 1.00 44.52 H new ATOM 0 HE2 LYS A 7 -15.070 7.900 -5.637 1.00 41.43 H new ATOM 0 HE3 LYS A 7 -13.856 9.038 -6.187 1.00 41.43 H new ATOM 0 HZ1 LYS A 7 -15.506 8.358 -7.900 1.00 55.10 H new ATOM 0 HZ2 LYS A 7 -13.892 8.095 -8.358 1.00 55.10 H new ATOM 0 HZ3 LYS A 7 -14.856 6.790 -7.859 1.00 55.10 H new ATOM 110 N CYS A 8 -10.961 11.190 -5.034 1.00 72.23 N ATOM 111 CA CYS A 8 -11.320 12.423 -4.342 1.00 43.41 C ATOM 112 C CYS A 8 -12.243 13.281 -5.202 1.00 63.11 C ATOM 113 O CYS A 8 -12.258 13.157 -6.427 1.00 32.03 O ATOM 114 CB CYS A 8 -10.061 13.213 -3.979 1.00 34.24 C ATOM 115 SG CYS A 8 -8.929 13.476 -5.365 1.00 33.42 S ATOM 0 H CYS A 8 -11.357 11.101 -5.970 1.00 72.23 H new ATOM 0 HA CYS A 8 -11.850 12.156 -3.428 1.00 43.41 H new ATOM 0 HB2 CYS A 8 -10.356 14.182 -3.576 1.00 34.24 H new ATOM 0 HB3 CYS A 8 -9.531 12.686 -3.186 1.00 34.24 H new ATOM 0 HG CYS A 8 -7.702 13.371 -4.949 1.00 33.42 H new ATOM 121 N SER A 9 -13.010 14.149 -4.551 1.00 74.24 N ATOM 122 CA SER A 9 -13.942 15.023 -5.256 1.00 43.31 C ATOM 123 C SER A 9 -13.557 16.487 -5.070 1.00 44.54 C ATOM 124 O SER A 9 -12.467 16.799 -4.587 1.00 33.13 O ATOM 125 CB SER A 9 -15.369 14.792 -4.756 1.00 61.34 C ATOM 126 OG SER A 9 -15.713 13.419 -4.813 1.00 64.33 O ATOM 0 H SER A 9 -13.005 14.266 -3.538 1.00 74.24 H new ATOM 0 HA SER A 9 -13.894 14.784 -6.318 1.00 43.31 H new ATOM 0 HB2 SER A 9 -15.461 15.151 -3.731 1.00 61.34 H new ATOM 0 HB3 SER A 9 -16.068 15.371 -5.360 1.00 61.34 H new ATOM 0 HG SER A 9 -15.847 13.077 -3.904 1.00 64.33 H new ATOM 132 N HIS A 10 -14.458 17.384 -5.458 1.00 73.21 N ATOM 133 CA HIS A 10 -14.215 18.817 -5.334 1.00 42.21 C ATOM 134 C HIS A 10 -15.494 19.609 -5.589 1.00 11.54 C ATOM 135 O HIS A 10 -16.331 19.210 -6.398 1.00 53.44 O ATOM 136 CB HIS A 10 -13.126 19.257 -6.313 1.00 20.05 C ATOM 137 CG HIS A 10 -13.477 19.015 -7.749 1.00 41.20 C ATOM 138 ND1 HIS A 10 -13.718 20.034 -8.646 1.00 34.24 N ATOM 139 CD2 HIS A 10 -13.625 17.862 -8.442 1.00 74.21 C ATOM 140 CE1 HIS A 10 -14.003 19.518 -9.829 1.00 23.45 C ATOM 141 NE2 HIS A 10 -13.952 18.201 -9.732 1.00 12.21 N ATOM 0 H HIS A 10 -15.364 17.144 -5.861 1.00 73.21 H new ATOM 0 HA HIS A 10 -13.881 19.017 -4.316 1.00 42.21 H new ATOM 0 HB2 HIS A 10 -12.928 20.319 -6.170 1.00 20.05 H new ATOM 0 HB3 HIS A 10 -12.203 18.727 -6.079 1.00 20.05 H new ATOM 0 HD2 HIS A 10 -13.508 16.861 -8.053 1.00 74.21 H new ATOM 0 HE1 HIS A 10 -14.238 20.077 -10.723 1.00 23.45 H new ATOM 0 HE2 HIS A 10 -14.127 17.543 -10.492 1.00 12.21 H new ATOM 149 N ILE A 11 -15.637 20.731 -4.891 1.00 72.05 N ATOM 150 CA ILE A 11 -16.813 21.578 -5.043 1.00 14.51 C ATOM 151 C ILE A 11 -16.454 23.052 -4.881 1.00 21.11 C ATOM 152 O ILE A 11 -15.868 23.452 -3.874 1.00 54.51 O ATOM 153 CB ILE A 11 -17.905 21.213 -4.020 1.00 40.31 C ATOM 154 CG1 ILE A 11 -18.403 19.786 -4.260 1.00 40.11 C ATOM 155 CG2 ILE A 11 -19.059 22.202 -4.100 1.00 71.11 C ATOM 156 CD1 ILE A 11 -19.376 19.300 -3.210 1.00 12.32 C ATOM 0 H ILE A 11 -14.954 21.074 -4.216 1.00 72.05 H new ATOM 0 HA ILE A 11 -17.196 21.408 -6.049 1.00 14.51 H new ATOM 0 HB ILE A 11 -17.476 21.265 -3.019 1.00 40.31 H new ATOM 0 HG12 ILE A 11 -18.882 19.737 -5.238 1.00 40.11 H new ATOM 0 HG13 ILE A 11 -17.547 19.112 -4.290 1.00 40.11 H new ATOM 0 HG21 ILE A 11 -19.822 21.930 -3.371 1.00 71.11 H new ATOM 0 HG22 ILE A 11 -18.693 23.206 -3.885 1.00 71.11 H new ATOM 0 HG23 ILE A 11 -19.489 22.179 -5.101 1.00 71.11 H new ATOM 0 HD11 ILE A 11 -19.686 18.282 -3.445 1.00 12.32 H new ATOM 0 HD12 ILE A 11 -18.894 19.316 -2.232 1.00 12.32 H new ATOM 0 HD13 ILE A 11 -20.250 19.951 -3.195 1.00 12.32 H new ATOM 168 N LEU A 12 -16.810 23.855 -5.878 1.00 24.44 N ATOM 169 CA LEU A 12 -16.527 25.285 -5.846 1.00 13.52 C ATOM 170 C LEU A 12 -17.786 26.082 -5.520 1.00 2.54 C ATOM 171 O LEU A 12 -18.857 25.823 -6.069 1.00 44.15 O ATOM 172 CB LEU A 12 -15.953 25.742 -7.189 1.00 13.52 C ATOM 173 CG LEU A 12 -14.431 25.698 -7.318 1.00 32.22 C ATOM 174 CD1 LEU A 12 -13.780 26.576 -6.260 1.00 45.11 C ATOM 175 CD2 LEU A 12 -13.927 24.266 -7.209 1.00 10.44 C ATOM 0 H LEU A 12 -17.295 23.540 -6.718 1.00 24.44 H new ATOM 0 HA LEU A 12 -15.791 25.467 -5.063 1.00 13.52 H new ATOM 0 HB2 LEU A 12 -16.382 25.121 -7.975 1.00 13.52 H new ATOM 0 HB3 LEU A 12 -16.284 26.764 -7.374 1.00 13.52 H new ATOM 0 HG LEU A 12 -14.158 26.084 -8.300 1.00 32.22 H new ATOM 0 HD11 LEU A 12 -12.696 26.532 -6.367 1.00 45.11 H new ATOM 0 HD12 LEU A 12 -14.116 27.606 -6.385 1.00 45.11 H new ATOM 0 HD13 LEU A 12 -14.061 26.220 -5.269 1.00 45.11 H new ATOM 0 HD21 LEU A 12 -12.841 24.254 -7.303 1.00 10.44 H new ATOM 0 HD22 LEU A 12 -14.212 23.853 -6.241 1.00 10.44 H new ATOM 0 HD23 LEU A 12 -14.367 23.664 -8.004 1.00 10.44 H new ATOM 187 N VAL A 13 -17.649 27.055 -4.623 1.00 71.44 N ATOM 188 CA VAL A 13 -18.775 27.892 -4.228 1.00 4.24 C ATOM 189 C VAL A 13 -18.389 29.367 -4.229 1.00 12.53 C ATOM 190 O VAL A 13 -17.281 29.730 -4.622 1.00 25.44 O ATOM 191 CB VAL A 13 -19.294 27.510 -2.828 1.00 72.44 C ATOM 192 CG1 VAL A 13 -19.755 26.061 -2.807 1.00 73.04 C ATOM 193 CG2 VAL A 13 -18.220 27.751 -1.777 1.00 60.04 C ATOM 0 H VAL A 13 -16.770 27.282 -4.157 1.00 71.44 H new ATOM 0 HA VAL A 13 -19.566 27.725 -4.959 1.00 4.24 H new ATOM 0 HB VAL A 13 -20.150 28.143 -2.592 1.00 72.44 H new ATOM 0 HG11 VAL A 13 -20.118 25.809 -1.811 1.00 73.04 H new ATOM 0 HG12 VAL A 13 -20.558 25.924 -3.531 1.00 73.04 H new ATOM 0 HG13 VAL A 13 -18.920 25.410 -3.064 1.00 73.04 H new ATOM 0 HG21 VAL A 13 -18.604 27.476 -0.795 1.00 60.04 H new ATOM 0 HG22 VAL A 13 -17.344 27.145 -2.007 1.00 60.04 H new ATOM 0 HG23 VAL A 13 -17.942 28.805 -1.776 1.00 60.04 H new ATOM 203 N SER A 14 -19.313 30.215 -3.784 1.00 62.05 N ATOM 204 CA SER A 14 -19.071 31.652 -3.738 1.00 3.30 C ATOM 205 C SER A 14 -18.980 32.141 -2.295 1.00 14.14 C ATOM 206 O SER A 14 -18.418 33.201 -2.020 1.00 1.21 O ATOM 207 CB SER A 14 -20.183 32.402 -4.473 1.00 3.54 C ATOM 208 OG SER A 14 -19.721 33.650 -4.961 1.00 62.45 O ATOM 0 H SER A 14 -20.234 29.931 -3.451 1.00 62.05 H new ATOM 0 HA SER A 14 -18.120 31.852 -4.232 1.00 3.30 H new ATOM 0 HB2 SER A 14 -20.548 31.796 -5.303 1.00 3.54 H new ATOM 0 HB3 SER A 14 -21.025 32.561 -3.800 1.00 3.54 H new ATOM 0 HG SER A 14 -20.450 34.109 -5.428 1.00 62.45 H new ATOM 214 N LYS A 15 -19.538 31.359 -1.377 1.00 0.44 N ATOM 215 CA LYS A 15 -19.521 31.709 0.039 1.00 3.12 C ATOM 216 C LYS A 15 -19.092 30.517 0.889 1.00 15.32 C ATOM 217 O LYS A 15 -19.415 29.372 0.573 1.00 32.04 O ATOM 218 CB LYS A 15 -20.902 32.195 0.482 1.00 1.51 C ATOM 219 CG LYS A 15 -21.974 31.121 0.419 1.00 55.24 C ATOM 220 CD LYS A 15 -23.349 31.719 0.170 1.00 22.33 C ATOM 221 CE LYS A 15 -23.834 32.518 1.369 1.00 14.33 C ATOM 222 NZ LYS A 15 -25.305 32.747 1.325 1.00 34.14 N ATOM 0 H LYS A 15 -20.008 30.479 -1.588 1.00 0.44 H new ATOM 0 HA LYS A 15 -18.798 32.512 0.180 1.00 3.12 H new ATOM 0 HB2 LYS A 15 -20.835 32.571 1.503 1.00 1.51 H new ATOM 0 HB3 LYS A 15 -21.202 33.033 -0.147 1.00 1.51 H new ATOM 0 HG2 LYS A 15 -21.735 30.413 -0.375 1.00 55.24 H new ATOM 0 HG3 LYS A 15 -21.984 30.560 1.354 1.00 55.24 H new ATOM 0 HD2 LYS A 15 -23.313 32.364 -0.708 1.00 22.33 H new ATOM 0 HD3 LYS A 15 -24.059 30.922 -0.049 1.00 22.33 H new ATOM 0 HE2 LYS A 15 -23.576 31.989 2.286 1.00 14.33 H new ATOM 0 HE3 LYS A 15 -23.318 33.478 1.399 1.00 14.33 H new ATOM 0 HZ1 LYS A 15 -25.596 33.295 2.160 1.00 34.14 H new ATOM 0 HZ2 LYS A 15 -25.549 33.274 0.462 1.00 34.14 H new ATOM 0 HZ3 LYS A 15 -25.799 31.832 1.322 1.00 34.14 H new ATOM 236 N GLN A 16 -18.367 30.795 1.967 1.00 22.01 N ATOM 237 CA GLN A 16 -17.896 29.744 2.862 1.00 51.32 C ATOM 238 C GLN A 16 -19.067 28.978 3.466 1.00 53.44 C ATOM 239 O GLN A 16 -18.944 27.801 3.805 1.00 53.24 O ATOM 240 CB GLN A 16 -17.033 30.341 3.975 1.00 51.52 C ATOM 241 CG GLN A 16 -17.670 31.540 4.661 1.00 34.44 C ATOM 242 CD GLN A 16 -17.291 31.642 6.126 1.00 12.31 C ATOM 243 OE1 GLN A 16 -16.330 32.323 6.483 1.00 23.01 O ATOM 244 NE2 GLN A 16 -18.048 30.967 6.983 1.00 74.11 N ATOM 0 H GLN A 16 -18.093 31.738 2.242 1.00 22.01 H new ATOM 0 HA GLN A 16 -17.293 29.048 2.278 1.00 51.32 H new ATOM 0 HB2 GLN A 16 -16.831 29.571 4.720 1.00 51.52 H new ATOM 0 HB3 GLN A 16 -16.072 30.640 3.557 1.00 51.52 H new ATOM 0 HG2 GLN A 16 -17.367 32.452 4.147 1.00 34.44 H new ATOM 0 HG3 GLN A 16 -18.754 31.470 4.574 1.00 34.44 H new ATOM 0 HE21 GLN A 16 -18.835 30.415 6.643 1.00 74.11 H new ATOM 0 HE22 GLN A 16 -17.842 31.001 7.981 1.00 74.11 H new ATOM 253 N SER A 17 -20.205 29.654 3.598 1.00 4.14 N ATOM 254 CA SER A 17 -21.398 29.038 4.166 1.00 71.15 C ATOM 255 C SER A 17 -21.860 27.861 3.312 1.00 32.41 C ATOM 256 O SER A 17 -22.548 26.962 3.795 1.00 62.21 O ATOM 257 CB SER A 17 -22.523 30.069 4.284 1.00 20.34 C ATOM 258 OG SER A 17 -23.488 29.662 5.239 1.00 71.12 O ATOM 0 H SER A 17 -20.325 30.628 3.319 1.00 4.14 H new ATOM 0 HA SER A 17 -21.148 28.668 5.160 1.00 71.15 H new ATOM 0 HB2 SER A 17 -22.107 31.035 4.571 1.00 20.34 H new ATOM 0 HB3 SER A 17 -23.001 30.203 3.314 1.00 20.34 H new ATOM 0 HG SER A 17 -24.196 30.338 5.297 1.00 71.12 H new ATOM 264 N GLU A 18 -21.477 27.875 2.038 1.00 13.13 N ATOM 265 CA GLU A 18 -21.853 26.809 1.117 1.00 61.05 C ATOM 266 C GLU A 18 -20.785 25.720 1.080 1.00 55.14 C ATOM 267 O GLU A 18 -21.094 24.531 1.143 1.00 71.04 O ATOM 268 CB GLU A 18 -22.070 27.374 -0.289 1.00 62.03 C ATOM 269 CG GLU A 18 -23.347 28.186 -0.428 1.00 41.21 C ATOM 270 CD GLU A 18 -23.448 28.889 -1.768 1.00 72.44 C ATOM 271 OE1 GLU A 18 -22.483 28.802 -2.557 1.00 60.24 O ATOM 272 OE2 GLU A 18 -24.491 29.524 -2.028 1.00 60.25 O ATOM 0 H GLU A 18 -20.908 28.612 1.622 1.00 13.13 H new ATOM 0 HA GLU A 18 -22.784 26.368 1.472 1.00 61.05 H new ATOM 0 HB2 GLU A 18 -21.219 28.002 -0.554 1.00 62.03 H new ATOM 0 HB3 GLU A 18 -22.093 26.551 -1.003 1.00 62.03 H new ATOM 0 HG2 GLU A 18 -24.207 27.528 -0.301 1.00 41.21 H new ATOM 0 HG3 GLU A 18 -23.391 28.926 0.371 1.00 41.21 H new ATOM 279 N ALA A 19 -19.527 26.137 0.977 1.00 23.22 N ATOM 280 CA ALA A 19 -18.413 25.197 0.934 1.00 3.40 C ATOM 281 C ALA A 19 -18.285 24.435 2.248 1.00 2.31 C ATOM 282 O ALA A 19 -18.169 23.209 2.258 1.00 11.41 O ATOM 283 CB ALA A 19 -17.117 25.930 0.618 1.00 40.24 C ATOM 0 H ALA A 19 -19.254 27.118 0.922 1.00 23.22 H new ATOM 0 HA ALA A 19 -18.611 24.473 0.144 1.00 3.40 H new ATOM 0 HB1 ALA A 19 -16.293 25.217 0.589 1.00 40.24 H new ATOM 0 HB2 ALA A 19 -17.205 26.423 -0.350 1.00 40.24 H new ATOM 0 HB3 ALA A 19 -16.924 26.676 1.389 1.00 40.24 H new ATOM 289 N LEU A 20 -18.306 25.169 3.356 1.00 43.24 N ATOM 290 CA LEU A 20 -18.191 24.562 4.678 1.00 63.04 C ATOM 291 C LEU A 20 -19.455 23.787 5.032 1.00 53.13 C ATOM 292 O LEU A 20 -19.451 22.952 5.936 1.00 61.33 O ATOM 293 CB LEU A 20 -17.925 25.637 5.732 1.00 11.43 C ATOM 294 CG LEU A 20 -17.174 25.179 6.984 1.00 44.53 C ATOM 295 CD1 LEU A 20 -15.750 24.775 6.633 1.00 1.30 C ATOM 296 CD2 LEU A 20 -17.175 26.276 8.038 1.00 60.13 C ATOM 0 H LEU A 20 -18.402 26.184 3.365 1.00 43.24 H new ATOM 0 HA LEU A 20 -17.353 23.865 4.660 1.00 63.04 H new ATOM 0 HB2 LEU A 20 -17.357 26.442 5.266 1.00 11.43 H new ATOM 0 HB3 LEU A 20 -18.881 26.059 6.041 1.00 11.43 H new ATOM 0 HG LEU A 20 -17.686 24.309 7.394 1.00 44.53 H new ATOM 0 HD11 LEU A 20 -15.231 24.452 7.535 1.00 1.30 H new ATOM 0 HD12 LEU A 20 -15.771 23.956 5.914 1.00 1.30 H new ATOM 0 HD13 LEU A 20 -15.227 25.627 6.198 1.00 1.30 H new ATOM 0 HD21 LEU A 20 -16.637 25.932 8.921 1.00 60.13 H new ATOM 0 HD22 LEU A 20 -16.687 27.165 7.638 1.00 60.13 H new ATOM 0 HD23 LEU A 20 -18.202 26.518 8.311 1.00 60.13 H new ATOM 308 N ALA A 21 -20.537 24.069 4.314 1.00 51.24 N ATOM 309 CA ALA A 21 -21.808 23.395 4.549 1.00 21.03 C ATOM 310 C ALA A 21 -21.719 21.914 4.195 1.00 40.32 C ATOM 311 O ALA A 21 -22.493 21.099 4.697 1.00 61.33 O ATOM 312 CB ALA A 21 -22.916 24.064 3.751 1.00 14.31 C ATOM 0 H ALA A 21 -20.559 24.760 3.564 1.00 51.24 H new ATOM 0 HA ALA A 21 -22.041 23.474 5.611 1.00 21.03 H new ATOM 0 HB1 ALA A 21 -23.859 23.550 3.936 1.00 14.31 H new ATOM 0 HB2 ALA A 21 -23.005 25.107 4.056 1.00 14.31 H new ATOM 0 HB3 ALA A 21 -22.679 24.015 2.688 1.00 14.31 H new ATOM 318 N ILE A 22 -20.771 21.574 3.329 1.00 52.54 N ATOM 319 CA ILE A 22 -20.581 20.191 2.908 1.00 44.54 C ATOM 320 C ILE A 22 -20.359 19.278 4.109 1.00 72.33 C ATOM 321 O ILE A 22 -20.788 18.125 4.111 1.00 62.21 O ATOM 322 CB ILE A 22 -19.387 20.055 1.945 1.00 22.03 C ATOM 323 CG1 ILE A 22 -19.597 20.932 0.709 1.00 4.10 C ATOM 324 CG2 ILE A 22 -19.195 18.600 1.542 1.00 11.32 C ATOM 325 CD1 ILE A 22 -20.835 20.575 -0.082 1.00 74.02 C ATOM 0 H ILE A 22 -20.122 22.237 2.905 1.00 52.54 H new ATOM 0 HA ILE A 22 -21.491 19.890 2.389 1.00 44.54 H new ATOM 0 HB ILE A 22 -18.486 20.392 2.457 1.00 22.03 H new ATOM 0 HG12 ILE A 22 -19.663 21.975 1.020 1.00 4.10 H new ATOM 0 HG13 ILE A 22 -18.725 20.847 0.061 1.00 4.10 H new ATOM 0 HG21 ILE A 22 -18.347 18.520 0.861 1.00 11.32 H new ATOM 0 HG22 ILE A 22 -19.005 17.998 2.431 1.00 11.32 H new ATOM 0 HG23 ILE A 22 -20.095 18.238 1.045 1.00 11.32 H new ATOM 0 HD11 ILE A 22 -20.920 21.237 -0.943 1.00 74.02 H new ATOM 0 HD12 ILE A 22 -20.763 19.542 -0.424 1.00 74.02 H new ATOM 0 HD13 ILE A 22 -21.716 20.687 0.550 1.00 74.02 H new ATOM 337 N MET A 23 -19.688 19.803 5.128 1.00 24.34 N ATOM 338 CA MET A 23 -19.412 19.035 6.337 1.00 34.12 C ATOM 339 C MET A 23 -20.627 19.016 7.259 1.00 2.30 C ATOM 340 O MET A 23 -20.700 18.213 8.188 1.00 33.10 O ATOM 341 CB MET A 23 -18.206 19.619 7.075 1.00 13.20 C ATOM 342 CG MET A 23 -17.115 20.128 6.147 1.00 12.22 C ATOM 343 SD MET A 23 -15.642 20.666 7.037 1.00 64.32 S ATOM 344 CE MET A 23 -16.360 21.788 8.234 1.00 20.22 C ATOM 0 H MET A 23 -19.325 20.756 5.141 1.00 24.34 H new ATOM 0 HA MET A 23 -19.186 18.010 6.042 1.00 34.12 H new ATOM 0 HB2 MET A 23 -18.541 20.438 7.712 1.00 13.20 H new ATOM 0 HB3 MET A 23 -17.787 18.856 7.731 1.00 13.20 H new ATOM 0 HG2 MET A 23 -16.843 19.339 5.445 1.00 12.22 H new ATOM 0 HG3 MET A 23 -17.503 20.959 5.558 1.00 12.22 H new ATOM 0 HE1 MET A 23 -15.621 22.537 8.519 1.00 20.22 H new ATOM 0 HE2 MET A 23 -17.227 22.282 7.795 1.00 20.22 H new ATOM 0 HE3 MET A 23 -16.669 21.229 9.117 1.00 20.22 H new ATOM 354 N GLU A 24 -21.577 19.907 6.995 1.00 14.32 N ATOM 355 CA GLU A 24 -22.789 19.994 7.803 1.00 23.42 C ATOM 356 C GLU A 24 -23.902 19.134 7.209 1.00 42.55 C ATOM 357 O GLU A 24 -24.422 18.232 7.864 1.00 51.54 O ATOM 358 CB GLU A 24 -23.254 21.446 7.913 1.00 41.44 C ATOM 359 CG GLU A 24 -22.113 22.443 8.038 1.00 40.32 C ATOM 360 CD GLU A 24 -21.347 22.292 9.338 1.00 12.22 C ATOM 361 OE1 GLU A 24 -21.989 22.295 10.409 1.00 71.31 O ATOM 362 OE2 GLU A 24 -20.105 22.171 9.284 1.00 53.55 O ATOM 0 H GLU A 24 -21.532 20.579 6.229 1.00 14.32 H new ATOM 0 HA GLU A 24 -22.557 19.620 8.800 1.00 23.42 H new ATOM 0 HB2 GLU A 24 -23.849 21.696 7.034 1.00 41.44 H new ATOM 0 HB3 GLU A 24 -23.908 21.545 8.779 1.00 41.44 H new ATOM 0 HG2 GLU A 24 -21.428 22.313 7.200 1.00 40.32 H new ATOM 0 HG3 GLU A 24 -22.511 23.456 7.970 1.00 40.32 H new ATOM 369 N LYS A 25 -24.262 19.423 5.963 1.00 4.21 N ATOM 370 CA LYS A 25 -25.312 18.680 5.277 1.00 21.14 C ATOM 371 C LYS A 25 -24.991 17.189 5.249 1.00 35.44 C ATOM 372 O LYS A 25 -25.813 16.360 5.643 1.00 35.31 O ATOM 373 CB LYS A 25 -25.486 19.201 3.849 1.00 11.31 C ATOM 374 CG LYS A 25 -26.278 20.495 3.767 1.00 23.34 C ATOM 375 CD LYS A 25 -26.703 20.798 2.341 1.00 42.53 C ATOM 376 CE LYS A 25 -27.958 20.030 1.958 1.00 75.01 C ATOM 377 NZ LYS A 25 -29.193 20.713 2.435 1.00 72.35 N ATOM 0 H LYS A 25 -23.841 20.168 5.407 1.00 4.21 H new ATOM 0 HA LYS A 25 -26.243 18.825 5.825 1.00 21.14 H new ATOM 0 HB2 LYS A 25 -24.503 19.358 3.406 1.00 11.31 H new ATOM 0 HB3 LYS A 25 -25.987 18.439 3.252 1.00 11.31 H new ATOM 0 HG2 LYS A 25 -27.160 20.424 4.403 1.00 23.34 H new ATOM 0 HG3 LYS A 25 -25.674 21.317 4.150 1.00 23.34 H new ATOM 0 HD2 LYS A 25 -26.883 21.868 2.233 1.00 42.53 H new ATOM 0 HD3 LYS A 25 -25.895 20.540 1.657 1.00 42.53 H new ATOM 0 HE2 LYS A 25 -28.000 19.919 0.874 1.00 75.01 H new ATOM 0 HE3 LYS A 25 -27.912 19.026 2.380 1.00 75.01 H new ATOM 0 HZ1 LYS A 25 -30.027 20.158 2.154 1.00 72.35 H new ATOM 0 HZ2 LYS A 25 -29.165 20.796 3.471 1.00 72.35 H new ATOM 0 HZ3 LYS A 25 -29.250 21.662 2.013 1.00 72.35 H new ATOM 391 N LEU A 26 -23.794 16.853 4.783 1.00 42.41 N ATOM 392 CA LEU A 26 -23.365 15.461 4.706 1.00 42.12 C ATOM 393 C LEU A 26 -23.323 14.826 6.092 1.00 31.20 C ATOM 394 O LEU A 26 -23.451 13.610 6.233 1.00 13.12 O ATOM 395 CB LEU A 26 -21.987 15.367 4.048 1.00 55.34 C ATOM 396 CG LEU A 26 -21.894 15.880 2.610 1.00 40.22 C ATOM 397 CD1 LEU A 26 -20.511 15.612 2.037 1.00 53.15 C ATOM 398 CD2 LEU A 26 -22.966 15.236 1.743 1.00 34.24 C ATOM 0 H LEU A 26 -23.102 17.526 4.452 1.00 42.41 H new ATOM 0 HA LEU A 26 -24.089 14.917 4.099 1.00 42.12 H new ATOM 0 HB2 LEU A 26 -21.276 15.924 4.658 1.00 55.34 H new ATOM 0 HB3 LEU A 26 -21.670 14.324 4.062 1.00 55.34 H new ATOM 0 HG LEU A 26 -22.060 16.957 2.617 1.00 40.22 H new ATOM 0 HD11 LEU A 26 -20.463 15.984 1.013 1.00 53.15 H new ATOM 0 HD12 LEU A 26 -19.761 16.120 2.643 1.00 53.15 H new ATOM 0 HD13 LEU A 26 -20.316 14.540 2.043 1.00 53.15 H new ATOM 0 HD21 LEU A 26 -22.884 15.613 0.724 1.00 34.24 H new ATOM 0 HD22 LEU A 26 -22.832 14.154 1.742 1.00 34.24 H new ATOM 0 HD23 LEU A 26 -23.951 15.479 2.142 1.00 34.24 H new ATOM 410 N LYS A 27 -23.145 15.657 7.113 1.00 75.12 N ATOM 411 CA LYS A 27 -23.090 15.179 8.489 1.00 11.40 C ATOM 412 C LYS A 27 -24.351 14.399 8.844 1.00 35.32 C ATOM 413 O LYS A 27 -24.341 13.559 9.745 1.00 60.05 O ATOM 414 CB LYS A 27 -22.916 16.355 9.452 1.00 31.33 C ATOM 415 CG LYS A 27 -21.851 16.121 10.510 1.00 12.51 C ATOM 416 CD LYS A 27 -21.611 17.369 11.345 1.00 55.54 C ATOM 417 CE LYS A 27 -21.357 17.024 12.803 1.00 24.12 C ATOM 418 NZ LYS A 27 -21.518 18.209 13.690 1.00 23.43 N ATOM 0 H LYS A 27 -23.036 16.666 7.013 1.00 75.12 H new ATOM 0 HA LYS A 27 -22.233 14.512 8.582 1.00 11.40 H new ATOM 0 HB2 LYS A 27 -22.659 17.247 8.881 1.00 31.33 H new ATOM 0 HB3 LYS A 27 -23.868 16.555 9.944 1.00 31.33 H new ATOM 0 HG2 LYS A 27 -22.156 15.301 11.160 1.00 12.51 H new ATOM 0 HG3 LYS A 27 -20.920 15.819 10.030 1.00 12.51 H new ATOM 0 HD2 LYS A 27 -20.757 17.916 10.946 1.00 55.54 H new ATOM 0 HD3 LYS A 27 -22.475 18.029 11.272 1.00 55.54 H new ATOM 0 HE2 LYS A 27 -22.046 16.240 13.116 1.00 24.12 H new ATOM 0 HE3 LYS A 27 -20.349 16.624 12.911 1.00 24.12 H new ATOM 0 HZ1 LYS A 27 -21.336 17.932 14.676 1.00 23.43 H new ATOM 0 HZ2 LYS A 27 -20.843 18.948 13.408 1.00 23.43 H new ATOM 0 HZ3 LYS A 27 -22.488 18.576 13.607 1.00 23.43 H new ATOM 432 N SER A 28 -25.437 14.682 8.132 1.00 32.33 N ATOM 433 CA SER A 28 -26.707 14.008 8.375 1.00 55.45 C ATOM 434 C SER A 28 -26.737 12.642 7.694 1.00 51.43 C ATOM 435 O SER A 28 -27.497 11.757 8.085 1.00 42.52 O ATOM 436 CB SER A 28 -27.869 14.867 7.870 1.00 73.12 C ATOM 437 OG SER A 28 -28.118 15.953 8.745 1.00 11.53 O ATOM 0 H SER A 28 -25.463 15.373 7.382 1.00 32.33 H new ATOM 0 HA SER A 28 -26.812 13.861 9.450 1.00 55.45 H new ATOM 0 HB2 SER A 28 -27.640 15.244 6.873 1.00 73.12 H new ATOM 0 HB3 SER A 28 -28.766 14.255 7.781 1.00 73.12 H new ATOM 0 HG SER A 28 -28.863 16.487 8.399 1.00 11.53 H new ATOM 443 N GLY A 29 -25.903 12.480 6.671 1.00 11.50 N ATOM 444 CA GLY A 29 -25.849 11.222 5.951 1.00 75.34 C ATOM 445 C GLY A 29 -26.259 11.365 4.498 1.00 1.44 C ATOM 446 O GLY A 29 -26.794 10.431 3.903 1.00 11.20 O ATOM 0 H GLY A 29 -25.264 13.198 6.329 1.00 11.50 H new ATOM 0 HA2 GLY A 29 -24.836 10.822 6.001 1.00 75.34 H new ATOM 0 HA3 GLY A 29 -26.502 10.499 6.440 1.00 75.34 H new ATOM 450 N GLU A 30 -26.008 12.540 3.928 1.00 35.33 N ATOM 451 CA GLU A 30 -26.358 12.803 2.538 1.00 64.11 C ATOM 452 C GLU A 30 -25.254 12.324 1.599 1.00 22.42 C ATOM 453 O GLU A 30 -24.344 11.601 2.010 1.00 53.44 O ATOM 454 CB GLU A 30 -26.609 14.297 2.325 1.00 24.12 C ATOM 455 CG GLU A 30 -27.396 14.947 3.450 1.00 13.52 C ATOM 456 CD GLU A 30 -28.806 14.400 3.568 1.00 42.41 C ATOM 457 OE1 GLU A 30 -29.587 14.558 2.607 1.00 0.20 O ATOM 458 OE2 GLU A 30 -29.127 13.814 4.623 1.00 62.33 O ATOM 0 H GLU A 30 -25.564 13.323 4.407 1.00 35.33 H new ATOM 0 HA GLU A 30 -27.271 12.252 2.310 1.00 64.11 H new ATOM 0 HB2 GLU A 30 -25.651 14.807 2.221 1.00 24.12 H new ATOM 0 HB3 GLU A 30 -27.148 14.437 1.388 1.00 24.12 H new ATOM 0 HG2 GLU A 30 -26.870 14.793 4.392 1.00 13.52 H new ATOM 0 HG3 GLU A 30 -27.441 16.023 3.283 1.00 13.52 H new ATOM 465 N LYS A 31 -25.341 12.730 0.337 1.00 24.10 N ATOM 466 CA LYS A 31 -24.350 12.344 -0.660 1.00 52.35 C ATOM 467 C LYS A 31 -23.552 13.555 -1.132 1.00 42.12 C ATOM 468 O LYS A 31 -24.122 14.592 -1.475 1.00 62.35 O ATOM 469 CB LYS A 31 -25.033 11.674 -1.855 1.00 21.41 C ATOM 470 CG LYS A 31 -24.159 10.654 -2.563 1.00 64.31 C ATOM 471 CD LYS A 31 -24.992 9.595 -3.264 1.00 20.12 C ATOM 472 CE LYS A 31 -24.133 8.703 -4.147 1.00 1.10 C ATOM 473 NZ LYS A 31 -23.614 7.521 -3.405 1.00 2.20 N ATOM 0 H LYS A 31 -26.088 13.326 -0.020 1.00 24.10 H new ATOM 0 HA LYS A 31 -23.663 11.636 -0.197 1.00 52.35 H new ATOM 0 HB2 LYS A 31 -25.945 11.184 -1.514 1.00 21.41 H new ATOM 0 HB3 LYS A 31 -25.332 12.442 -2.569 1.00 21.41 H new ATOM 0 HG2 LYS A 31 -23.525 11.160 -3.291 1.00 64.31 H new ATOM 0 HG3 LYS A 31 -23.497 10.177 -1.840 1.00 64.31 H new ATOM 0 HD2 LYS A 31 -25.507 8.986 -2.521 1.00 20.12 H new ATOM 0 HD3 LYS A 31 -25.760 10.077 -3.869 1.00 20.12 H new ATOM 0 HE2 LYS A 31 -24.719 8.366 -5.002 1.00 1.10 H new ATOM 0 HE3 LYS A 31 -23.297 9.280 -4.541 1.00 1.10 H new ATOM 0 HZ1 LYS A 31 -23.034 6.939 -4.042 1.00 2.20 H new ATOM 0 HZ2 LYS A 31 -23.034 7.842 -2.604 1.00 2.20 H new ATOM 0 HZ3 LYS A 31 -24.412 6.956 -3.050 1.00 2.20 H new ATOM 487 N PHE A 32 -22.230 13.418 -1.149 1.00 2.14 N ATOM 488 CA PHE A 32 -21.354 14.501 -1.579 1.00 15.42 C ATOM 489 C PHE A 32 -21.767 15.022 -2.952 1.00 15.22 C ATOM 490 O PHE A 32 -21.814 16.230 -3.182 1.00 2.13 O ATOM 491 CB PHE A 32 -19.901 14.026 -1.618 1.00 24.10 C ATOM 492 CG PHE A 32 -18.927 15.103 -2.001 1.00 54.23 C ATOM 493 CD1 PHE A 32 -18.756 15.461 -3.328 1.00 40.35 C ATOM 494 CD2 PHE A 32 -18.182 15.758 -1.033 1.00 51.34 C ATOM 495 CE1 PHE A 32 -17.861 16.452 -3.684 1.00 51.35 C ATOM 496 CE2 PHE A 32 -17.286 16.750 -1.382 1.00 51.44 C ATOM 497 CZ PHE A 32 -17.125 17.097 -2.710 1.00 41.51 C ATOM 0 H PHE A 32 -21.742 12.567 -0.870 1.00 2.14 H new ATOM 0 HA PHE A 32 -21.444 15.314 -0.859 1.00 15.42 H new ATOM 0 HB2 PHE A 32 -19.629 13.634 -0.638 1.00 24.10 H new ATOM 0 HB3 PHE A 32 -19.816 13.202 -2.326 1.00 24.10 H new ATOM 0 HD1 PHE A 32 -19.329 14.960 -4.094 1.00 40.35 H new ATOM 0 HD2 PHE A 32 -18.303 15.490 0.006 1.00 51.34 H new ATOM 0 HE1 PHE A 32 -17.737 16.722 -4.723 1.00 51.35 H new ATOM 0 HE2 PHE A 32 -16.712 17.254 -0.618 1.00 51.44 H new ATOM 0 HZ PHE A 32 -16.425 17.872 -2.986 1.00 41.51 H new ATOM 507 N GLY A 33 -22.067 14.100 -3.863 1.00 0.32 N ATOM 508 CA GLY A 33 -22.472 14.485 -5.202 1.00 3.11 C ATOM 509 C GLY A 33 -23.696 15.378 -5.204 1.00 12.41 C ATOM 510 O GLY A 33 -23.772 16.340 -5.970 1.00 21.03 O ATOM 0 H GLY A 33 -22.037 13.094 -3.697 1.00 0.32 H new ATOM 0 HA2 GLY A 33 -21.648 15.003 -5.693 1.00 3.11 H new ATOM 0 HA3 GLY A 33 -22.679 13.589 -5.787 1.00 3.11 H new ATOM 514 N LYS A 34 -24.659 15.061 -4.345 1.00 60.12 N ATOM 515 CA LYS A 34 -25.887 15.841 -4.249 1.00 40.52 C ATOM 516 C LYS A 34 -25.578 17.321 -4.044 1.00 2.30 C ATOM 517 O LYS A 34 -26.359 18.189 -4.433 1.00 15.43 O ATOM 518 CB LYS A 34 -26.754 15.327 -3.099 1.00 35.43 C ATOM 519 CG LYS A 34 -27.294 13.925 -3.325 1.00 35.33 C ATOM 520 CD LYS A 34 -28.581 13.946 -4.134 1.00 13.43 C ATOM 521 CE LYS A 34 -29.804 14.051 -3.235 1.00 24.03 C ATOM 522 NZ LYS A 34 -31.060 13.732 -3.967 1.00 72.35 N ATOM 0 H LYS A 34 -24.612 14.268 -3.705 1.00 60.12 H new ATOM 0 HA LYS A 34 -26.433 15.728 -5.186 1.00 40.52 H new ATOM 0 HB2 LYS A 34 -26.168 15.338 -2.180 1.00 35.43 H new ATOM 0 HB3 LYS A 34 -27.590 16.010 -2.952 1.00 35.43 H new ATOM 0 HG2 LYS A 34 -26.546 13.326 -3.845 1.00 35.33 H new ATOM 0 HG3 LYS A 34 -27.475 13.445 -2.363 1.00 35.33 H new ATOM 0 HD2 LYS A 34 -28.563 14.788 -4.826 1.00 13.43 H new ATOM 0 HD3 LYS A 34 -28.648 13.040 -4.737 1.00 13.43 H new ATOM 0 HE2 LYS A 34 -29.693 13.371 -2.391 1.00 24.03 H new ATOM 0 HE3 LYS A 34 -29.868 15.059 -2.826 1.00 24.03 H new ATOM 0 HZ1 LYS A 34 -31.870 13.815 -3.320 1.00 72.35 H new ATOM 0 HZ2 LYS A 34 -31.179 14.397 -4.758 1.00 72.35 H new ATOM 0 HZ3 LYS A 34 -31.010 12.761 -4.336 1.00 72.35 H new ATOM 536 N LEU A 35 -24.432 17.601 -3.432 1.00 34.30 N ATOM 537 CA LEU A 35 -24.018 18.976 -3.176 1.00 11.13 C ATOM 538 C LEU A 35 -23.102 19.484 -4.284 1.00 55.43 C ATOM 539 O LEU A 35 -23.058 20.681 -4.566 1.00 54.45 O ATOM 540 CB LEU A 35 -23.306 19.072 -1.825 1.00 74.02 C ATOM 541 CG LEU A 35 -23.868 18.196 -0.706 1.00 2.33 C ATOM 542 CD1 LEU A 35 -23.142 18.469 0.602 1.00 31.10 C ATOM 543 CD2 LEU A 35 -25.364 18.428 -0.546 1.00 2.20 C ATOM 0 H LEU A 35 -23.774 16.894 -3.104 1.00 34.30 H new ATOM 0 HA LEU A 35 -24.911 19.600 -3.154 1.00 11.13 H new ATOM 0 HB2 LEU A 35 -22.257 18.812 -1.970 1.00 74.02 H new ATOM 0 HB3 LEU A 35 -23.334 20.110 -1.495 1.00 74.02 H new ATOM 0 HG LEU A 35 -23.709 17.152 -0.975 1.00 2.33 H new ATOM 0 HD11 LEU A 35 -23.556 17.836 1.387 1.00 31.10 H new ATOM 0 HD12 LEU A 35 -22.081 18.251 0.482 1.00 31.10 H new ATOM 0 HD13 LEU A 35 -23.268 19.516 0.876 1.00 31.10 H new ATOM 0 HD21 LEU A 35 -25.747 17.796 0.255 1.00 2.20 H new ATOM 0 HD22 LEU A 35 -25.546 19.474 -0.301 1.00 2.20 H new ATOM 0 HD23 LEU A 35 -25.872 18.180 -1.478 1.00 2.20 H new ATOM 555 N ALA A 36 -22.373 18.566 -4.910 1.00 34.20 N ATOM 556 CA ALA A 36 -21.461 18.919 -5.990 1.00 55.55 C ATOM 557 C ALA A 36 -22.223 19.200 -7.282 1.00 70.02 C ATOM 558 O ALA A 36 -21.709 19.857 -8.188 1.00 71.15 O ATOM 559 CB ALA A 36 -20.442 17.810 -6.207 1.00 15.22 C ATOM 0 H ALA A 36 -22.397 17.571 -4.687 1.00 34.20 H new ATOM 0 HA ALA A 36 -20.934 19.829 -5.703 1.00 55.55 H new ATOM 0 HB1 ALA A 36 -19.768 18.089 -7.017 1.00 15.22 H new ATOM 0 HB2 ALA A 36 -19.868 17.659 -5.293 1.00 15.22 H new ATOM 0 HB3 ALA A 36 -20.959 16.886 -6.467 1.00 15.22 H new ATOM 565 N LYS A 37 -23.450 18.698 -7.360 1.00 73.13 N ATOM 566 CA LYS A 37 -24.284 18.894 -8.541 1.00 21.02 C ATOM 567 C LYS A 37 -25.068 20.199 -8.442 1.00 42.34 C ATOM 568 O LYS A 37 -25.916 20.488 -9.285 1.00 73.31 O ATOM 569 CB LYS A 37 -25.250 17.718 -8.709 1.00 42.52 C ATOM 570 CG LYS A 37 -25.392 17.249 -10.146 1.00 63.05 C ATOM 571 CD LYS A 37 -26.753 16.622 -10.396 1.00 73.21 C ATOM 572 CE LYS A 37 -27.121 16.658 -11.872 1.00 34.11 C ATOM 573 NZ LYS A 37 -26.432 15.586 -12.642 1.00 33.11 N ATOM 0 H LYS A 37 -23.890 18.152 -6.619 1.00 73.13 H new ATOM 0 HA LYS A 37 -23.631 18.948 -9.412 1.00 21.02 H new ATOM 0 HB2 LYS A 37 -24.905 16.885 -8.096 1.00 42.52 H new ATOM 0 HB3 LYS A 37 -26.231 18.007 -8.331 1.00 42.52 H new ATOM 0 HG2 LYS A 37 -25.250 18.093 -10.821 1.00 63.05 H new ATOM 0 HG3 LYS A 37 -24.610 16.525 -10.372 1.00 63.05 H new ATOM 0 HD2 LYS A 37 -26.749 15.590 -10.046 1.00 73.21 H new ATOM 0 HD3 LYS A 37 -27.510 17.152 -9.818 1.00 73.21 H new ATOM 0 HE2 LYS A 37 -28.200 16.546 -11.980 1.00 34.11 H new ATOM 0 HE3 LYS A 37 -26.858 17.630 -12.288 1.00 34.11 H new ATOM 0 HZ1 LYS A 37 -26.709 15.645 -13.643 1.00 33.11 H new ATOM 0 HZ2 LYS A 37 -25.402 15.707 -12.560 1.00 33.11 H new ATOM 0 HZ3 LYS A 37 -26.703 14.657 -12.262 1.00 33.11 H new ATOM 587 N GLU A 38 -24.775 20.983 -7.410 1.00 70.31 N ATOM 588 CA GLU A 38 -25.452 22.258 -7.204 1.00 73.42 C ATOM 589 C GLU A 38 -24.469 23.328 -6.741 1.00 3.54 C ATOM 590 O GLU A 38 -24.258 24.331 -7.424 1.00 51.52 O ATOM 591 CB GLU A 38 -26.576 22.104 -6.177 1.00 21.31 C ATOM 592 CG GLU A 38 -27.456 20.887 -6.414 1.00 22.01 C ATOM 593 CD GLU A 38 -28.908 21.140 -6.062 1.00 11.42 C ATOM 594 OE1 GLU A 38 -29.185 21.492 -4.896 1.00 63.13 O ATOM 595 OE2 GLU A 38 -29.770 20.987 -6.953 1.00 33.13 O ATOM 0 H GLU A 38 -24.074 20.758 -6.704 1.00 70.31 H new ATOM 0 HA GLU A 38 -25.880 22.570 -8.157 1.00 73.42 H new ATOM 0 HB2 GLU A 38 -26.139 22.037 -5.180 1.00 21.31 H new ATOM 0 HB3 GLU A 38 -27.197 23.000 -6.194 1.00 21.31 H new ATOM 0 HG2 GLU A 38 -27.386 20.591 -7.461 1.00 22.01 H new ATOM 0 HG3 GLU A 38 -27.082 20.052 -5.821 1.00 22.01 H new ATOM 602 N LEU A 39 -23.870 23.109 -5.575 1.00 65.44 N ATOM 603 CA LEU A 39 -22.908 24.054 -5.020 1.00 21.14 C ATOM 604 C LEU A 39 -21.770 24.315 -6.002 1.00 32.34 C ATOM 605 O LEU A 39 -21.419 25.463 -6.268 1.00 63.05 O ATOM 606 CB LEU A 39 -22.345 23.522 -3.699 1.00 75.32 C ATOM 607 CG LEU A 39 -23.353 23.350 -2.562 1.00 60.03 C ATOM 608 CD1 LEU A 39 -22.644 22.949 -1.277 1.00 44.43 C ATOM 609 CD2 LEU A 39 -24.149 24.630 -2.357 1.00 34.11 C ATOM 0 H LEU A 39 -24.034 22.285 -4.996 1.00 65.44 H new ATOM 0 HA LEU A 39 -23.426 24.995 -4.835 1.00 21.14 H new ATOM 0 HB2 LEU A 39 -21.874 22.558 -3.890 1.00 75.32 H new ATOM 0 HB3 LEU A 39 -21.560 24.199 -3.363 1.00 75.32 H new ATOM 0 HG LEU A 39 -24.047 22.554 -2.834 1.00 60.03 H new ATOM 0 HD11 LEU A 39 -23.377 22.831 -0.479 1.00 44.43 H new ATOM 0 HD12 LEU A 39 -22.119 22.006 -1.430 1.00 44.43 H new ATOM 0 HD13 LEU A 39 -21.927 23.722 -1.000 1.00 44.43 H new ATOM 0 HD21 LEU A 39 -24.861 24.489 -1.544 1.00 34.11 H new ATOM 0 HD22 LEU A 39 -23.470 25.445 -2.107 1.00 34.11 H new ATOM 0 HD23 LEU A 39 -24.687 24.874 -3.273 1.00 34.11 H new ATOM 621 N SER A 40 -21.200 23.239 -6.537 1.00 10.51 N ATOM 622 CA SER A 40 -20.101 23.352 -7.489 1.00 72.13 C ATOM 623 C SER A 40 -20.460 24.307 -8.624 1.00 72.33 C ATOM 624 O SER A 40 -21.260 23.973 -9.499 1.00 73.02 O ATOM 625 CB SER A 40 -19.747 21.976 -8.057 1.00 1.20 C ATOM 626 OG SER A 40 -18.395 21.931 -8.479 1.00 42.43 O ATOM 0 H SER A 40 -21.481 22.281 -6.328 1.00 10.51 H new ATOM 0 HA SER A 40 -19.236 23.753 -6.961 1.00 72.13 H new ATOM 0 HB2 SER A 40 -19.921 21.211 -7.300 1.00 1.20 H new ATOM 0 HB3 SER A 40 -20.402 21.747 -8.898 1.00 1.20 H new ATOM 0 HG SER A 40 -18.228 21.089 -8.951 1.00 42.43 H new ATOM 632 N ILE A 41 -19.864 25.493 -8.602 1.00 25.20 N ATOM 633 CA ILE A 41 -20.120 26.496 -9.629 1.00 73.11 C ATOM 634 C ILE A 41 -19.355 26.178 -10.910 1.00 11.54 C ATOM 635 O ILE A 41 -19.730 26.621 -11.996 1.00 10.34 O ATOM 636 CB ILE A 41 -19.732 27.906 -9.149 1.00 4.21 C ATOM 637 CG1 ILE A 41 -18.280 27.923 -8.666 1.00 53.11 C ATOM 638 CG2 ILE A 41 -20.669 28.364 -8.041 1.00 53.41 C ATOM 639 CD1 ILE A 41 -17.506 29.140 -9.121 1.00 21.01 C ATOM 0 H ILE A 41 -19.200 25.784 -7.884 1.00 25.20 H new ATOM 0 HA ILE A 41 -21.191 26.473 -9.832 1.00 73.11 H new ATOM 0 HB ILE A 41 -19.825 28.597 -9.987 1.00 4.21 H new ATOM 0 HG12 ILE A 41 -18.267 27.881 -7.577 1.00 53.11 H new ATOM 0 HG13 ILE A 41 -17.775 27.026 -9.026 1.00 53.11 H new ATOM 0 HG21 ILE A 41 -20.382 29.363 -7.712 1.00 53.41 H new ATOM 0 HG22 ILE A 41 -21.692 28.385 -8.416 1.00 53.41 H new ATOM 0 HG23 ILE A 41 -20.604 27.672 -7.201 1.00 53.41 H new ATOM 0 HD11 ILE A 41 -16.486 29.085 -8.742 1.00 21.01 H new ATOM 0 HD12 ILE A 41 -17.487 29.173 -10.210 1.00 21.01 H new ATOM 0 HD13 ILE A 41 -17.987 30.041 -8.739 1.00 21.01 H new ATOM 651 N ASP A 42 -18.281 25.408 -10.775 1.00 63.23 N ATOM 652 CA ASP A 42 -17.463 25.029 -11.922 1.00 32.00 C ATOM 653 C ASP A 42 -18.288 24.249 -12.942 1.00 44.33 C ATOM 654 O ASP A 42 -18.708 23.122 -12.685 1.00 22.02 O ATOM 655 CB ASP A 42 -16.267 24.191 -11.467 1.00 61.43 C ATOM 656 CG ASP A 42 -15.485 23.618 -12.633 1.00 14.24 C ATOM 657 OD1 ASP A 42 -15.586 24.176 -13.745 1.00 63.12 O ATOM 658 OD2 ASP A 42 -14.774 22.611 -12.433 1.00 1.23 O ATOM 0 H ASP A 42 -17.956 25.034 -9.883 1.00 63.23 H new ATOM 0 HA ASP A 42 -17.099 25.941 -12.396 1.00 32.00 H new ATOM 0 HB2 ASP A 42 -15.606 24.807 -10.858 1.00 61.43 H new ATOM 0 HB3 ASP A 42 -16.618 23.377 -10.833 1.00 61.43 H new ATOM 663 N SER A 43 -18.514 24.859 -14.101 1.00 12.32 N ATOM 664 CA SER A 43 -19.292 24.225 -15.159 1.00 14.13 C ATOM 665 C SER A 43 -18.767 22.824 -15.454 1.00 43.52 C ATOM 666 O SER A 43 -19.537 21.905 -15.728 1.00 63.24 O ATOM 667 CB SER A 43 -19.253 25.076 -16.430 1.00 25.20 C ATOM 668 OG SER A 43 -19.230 26.458 -16.118 1.00 53.31 O ATOM 0 H SER A 43 -18.170 25.791 -14.331 1.00 12.32 H new ATOM 0 HA SER A 43 -20.324 24.143 -14.818 1.00 14.13 H new ATOM 0 HB2 SER A 43 -18.372 24.818 -17.017 1.00 25.20 H new ATOM 0 HB3 SER A 43 -20.124 24.854 -17.047 1.00 25.20 H new ATOM 0 HG SER A 43 -19.203 26.980 -16.947 1.00 53.31 H new ATOM 674 N GLY A 44 -17.447 22.670 -15.396 1.00 65.33 N ATOM 675 CA GLY A 44 -16.839 21.378 -15.660 1.00 71.32 C ATOM 676 C GLY A 44 -16.665 20.552 -14.401 1.00 70.41 C ATOM 677 O GLY A 44 -15.629 19.914 -14.207 1.00 54.22 O ATOM 0 H GLY A 44 -16.789 23.416 -15.171 1.00 65.33 H new ATOM 0 HA2 GLY A 44 -17.456 20.827 -16.370 1.00 71.32 H new ATOM 0 HA3 GLY A 44 -15.867 21.526 -16.131 1.00 71.32 H new ATOM 681 N SER A 45 -17.679 20.563 -13.542 1.00 74.42 N ATOM 682 CA SER A 45 -17.631 19.813 -12.293 1.00 1.53 C ATOM 683 C SER A 45 -19.037 19.452 -11.822 1.00 22.00 C ATOM 684 O SER A 45 -19.290 18.326 -11.395 1.00 73.23 O ATOM 685 CB SER A 45 -16.912 20.625 -11.213 1.00 61.04 C ATOM 686 OG SER A 45 -16.876 19.920 -9.985 1.00 12.33 O ATOM 0 H SER A 45 -18.544 21.083 -13.688 1.00 74.42 H new ATOM 0 HA SER A 45 -17.078 18.891 -12.473 1.00 1.53 H new ATOM 0 HB2 SER A 45 -15.896 20.848 -11.538 1.00 61.04 H new ATOM 0 HB3 SER A 45 -17.419 21.580 -11.073 1.00 61.04 H new ATOM 0 HG SER A 45 -16.453 20.478 -9.300 1.00 12.33 H new ATOM 692 N ALA A 46 -19.947 20.417 -11.901 1.00 42.44 N ATOM 693 CA ALA A 46 -21.327 20.201 -11.486 1.00 54.22 C ATOM 694 C ALA A 46 -21.993 19.122 -12.332 1.00 71.14 C ATOM 695 O ALA A 46 -23.033 18.578 -11.958 1.00 51.55 O ATOM 696 CB ALA A 46 -22.113 21.502 -11.570 1.00 52.15 C ATOM 0 H ALA A 46 -19.753 21.356 -12.249 1.00 42.44 H new ATOM 0 HA ALA A 46 -21.320 19.860 -10.451 1.00 54.22 H new ATOM 0 HB1 ALA A 46 -23.142 21.326 -11.257 1.00 52.15 H new ATOM 0 HB2 ALA A 46 -21.657 22.245 -10.916 1.00 52.15 H new ATOM 0 HB3 ALA A 46 -22.103 21.867 -12.597 1.00 52.15 H new ATOM 702 N LYS A 47 -21.389 18.816 -13.476 1.00 2.14 N ATOM 703 CA LYS A 47 -21.923 17.801 -14.376 1.00 45.13 C ATOM 704 C LYS A 47 -21.442 16.411 -13.975 1.00 30.23 C ATOM 705 O LYS A 47 -22.050 15.404 -14.337 1.00 61.13 O ATOM 706 CB LYS A 47 -21.507 18.100 -15.818 1.00 42.14 C ATOM 707 CG LYS A 47 -22.466 17.543 -16.856 1.00 61.32 C ATOM 708 CD LYS A 47 -23.588 18.520 -17.161 1.00 64.22 C ATOM 709 CE LYS A 47 -23.115 19.646 -18.067 1.00 44.34 C ATOM 710 NZ LYS A 47 -24.171 20.676 -18.270 1.00 71.24 N ATOM 0 H LYS A 47 -20.529 19.257 -13.801 1.00 2.14 H new ATOM 0 HA LYS A 47 -23.010 17.824 -14.305 1.00 45.13 H new ATOM 0 HB2 LYS A 47 -21.430 19.179 -15.949 1.00 42.14 H new ATOM 0 HB3 LYS A 47 -20.514 17.686 -15.994 1.00 42.14 H new ATOM 0 HG2 LYS A 47 -21.920 17.317 -17.772 1.00 61.32 H new ATOM 0 HG3 LYS A 47 -22.888 16.604 -16.496 1.00 61.32 H new ATOM 0 HD2 LYS A 47 -24.413 17.991 -17.637 1.00 64.22 H new ATOM 0 HD3 LYS A 47 -23.972 18.937 -16.230 1.00 64.22 H new ATOM 0 HE2 LYS A 47 -22.231 20.113 -17.634 1.00 44.34 H new ATOM 0 HE3 LYS A 47 -22.818 19.235 -19.032 1.00 44.34 H new ATOM 0 HZ1 LYS A 47 -23.809 21.426 -18.893 1.00 71.24 H new ATOM 0 HZ2 LYS A 47 -25.006 20.236 -18.707 1.00 71.24 H new ATOM 0 HZ3 LYS A 47 -24.436 21.087 -17.352 1.00 71.24 H new ATOM 724 N LYS A 48 -20.347 16.362 -13.222 1.00 14.31 N ATOM 725 CA LYS A 48 -19.786 15.096 -12.768 1.00 72.34 C ATOM 726 C LYS A 48 -19.773 15.020 -11.246 1.00 12.54 C ATOM 727 O LYS A 48 -18.966 14.302 -10.657 1.00 13.51 O ATOM 728 CB LYS A 48 -18.366 14.921 -13.310 1.00 61.21 C ATOM 729 CG LYS A 48 -17.522 16.181 -13.224 1.00 10.32 C ATOM 730 CD LYS A 48 -17.530 16.949 -14.534 1.00 14.52 C ATOM 731 CE LYS A 48 -16.438 16.462 -15.473 1.00 5.30 C ATOM 732 NZ LYS A 48 -16.769 16.735 -16.898 1.00 61.14 N ATOM 0 H LYS A 48 -19.831 17.186 -12.914 1.00 14.31 H new ATOM 0 HA LYS A 48 -20.416 14.292 -13.148 1.00 72.34 H new ATOM 0 HB2 LYS A 48 -17.871 14.124 -12.756 1.00 61.21 H new ATOM 0 HB3 LYS A 48 -18.420 14.601 -14.350 1.00 61.21 H new ATOM 0 HG2 LYS A 48 -17.900 16.819 -12.425 1.00 10.32 H new ATOM 0 HG3 LYS A 48 -16.497 15.916 -12.963 1.00 10.32 H new ATOM 0 HD2 LYS A 48 -18.501 16.838 -15.016 1.00 14.52 H new ATOM 0 HD3 LYS A 48 -17.392 18.012 -14.335 1.00 14.52 H new ATOM 0 HE2 LYS A 48 -15.497 16.950 -15.219 1.00 5.30 H new ATOM 0 HE3 LYS A 48 -16.290 15.391 -15.333 1.00 5.30 H new ATOM 0 HZ1 LYS A 48 -16.000 16.388 -17.506 1.00 61.14 H new ATOM 0 HZ2 LYS A 48 -17.654 16.249 -17.148 1.00 61.14 H new ATOM 0 HZ3 LYS A 48 -16.885 17.759 -17.037 1.00 61.14 H new ATOM 746 N ASN A 49 -20.674 15.766 -10.613 1.00 41.21 N ATOM 747 CA ASN A 49 -20.766 15.783 -9.157 1.00 61.13 C ATOM 748 C ASN A 49 -19.401 16.042 -8.529 1.00 43.42 C ATOM 749 O ASN A 49 -19.103 15.552 -7.441 1.00 1.54 O ATOM 750 CB ASN A 49 -21.332 14.456 -8.647 1.00 12.13 C ATOM 751 CG ASN A 49 -22.732 14.187 -9.163 1.00 2.30 C ATOM 752 OD1 ASN A 49 -22.914 13.477 -10.153 1.00 23.11 O ATOM 753 ND2 ASN A 49 -23.729 14.754 -8.495 1.00 50.22 N ATOM 0 H ASN A 49 -21.350 16.366 -11.085 1.00 41.21 H new ATOM 0 HA ASN A 49 -21.437 16.592 -8.869 1.00 61.13 H new ATOM 0 HB2 ASN A 49 -20.673 13.643 -8.951 1.00 12.13 H new ATOM 0 HB3 ASN A 49 -21.345 14.465 -7.557 1.00 12.13 H new ATOM 0 HD21 ASN A 49 -24.693 14.609 -8.797 1.00 50.22 H new ATOM 0 HD22 ASN A 49 -23.532 15.335 -7.680 1.00 50.22 H new ATOM 760 N GLY A 50 -18.573 16.818 -9.222 1.00 51.44 N ATOM 761 CA GLY A 50 -17.250 17.130 -8.717 1.00 44.32 C ATOM 762 C GLY A 50 -16.451 15.888 -8.376 1.00 30.30 C ATOM 763 O GLY A 50 -15.560 15.927 -7.528 1.00 52.33 O ATOM 0 H GLY A 50 -18.796 17.236 -10.125 1.00 51.44 H new ATOM 0 HA2 GLY A 50 -16.709 17.713 -9.462 1.00 44.32 H new ATOM 0 HA3 GLY A 50 -17.342 17.754 -7.828 1.00 44.32 H new ATOM 767 N ASN A 51 -16.772 14.780 -9.036 1.00 53.35 N ATOM 768 CA ASN A 51 -16.080 13.519 -8.797 1.00 10.42 C ATOM 769 C ASN A 51 -14.982 13.296 -9.831 1.00 4.34 C ATOM 770 O ASN A 51 -15.149 12.520 -10.773 1.00 45.52 O ATOM 771 CB ASN A 51 -17.072 12.354 -8.831 1.00 1.11 C ATOM 772 CG ASN A 51 -16.724 11.269 -7.831 1.00 24.31 C ATOM 773 OD1 ASN A 51 -17.592 10.762 -7.120 1.00 20.03 O ATOM 774 ND2 ASN A 51 -15.448 10.907 -7.771 1.00 64.42 N ATOM 0 H ASN A 51 -17.507 14.730 -9.741 1.00 53.35 H new ATOM 0 HA ASN A 51 -15.620 13.568 -7.810 1.00 10.42 H new ATOM 0 HB2 ASN A 51 -18.075 12.728 -8.623 1.00 1.11 H new ATOM 0 HB3 ASN A 51 -17.093 11.927 -9.834 1.00 1.11 H new ATOM 0 HD21 ASN A 51 -15.154 10.182 -7.117 1.00 64.42 H new ATOM 0 HD22 ASN A 51 -14.762 11.354 -8.379 1.00 64.42 H new ATOM 781 N LEU A 52 -13.858 13.981 -9.648 1.00 70.02 N ATOM 782 CA LEU A 52 -12.730 13.858 -10.565 1.00 51.52 C ATOM 783 C LEU A 52 -12.136 12.455 -10.513 1.00 70.02 C ATOM 784 O LEU A 52 -11.396 12.048 -11.407 1.00 44.54 O ATOM 785 CB LEU A 52 -11.655 14.892 -10.224 1.00 44.31 C ATOM 786 CG LEU A 52 -11.204 14.934 -8.764 1.00 41.23 C ATOM 787 CD1 LEU A 52 -10.050 13.971 -8.534 1.00 34.12 C ATOM 788 CD2 LEU A 52 -10.806 16.349 -8.370 1.00 31.05 C ATOM 0 H LEU A 52 -13.704 14.627 -8.874 1.00 70.02 H new ATOM 0 HA LEU A 52 -13.094 14.041 -11.576 1.00 51.52 H new ATOM 0 HB2 LEU A 52 -10.782 14.698 -10.848 1.00 44.31 H new ATOM 0 HB3 LEU A 52 -12.029 15.879 -10.496 1.00 44.31 H new ATOM 0 HG LEU A 52 -12.040 14.624 -8.136 1.00 41.23 H new ATOM 0 HD11 LEU A 52 -9.742 14.015 -7.489 1.00 34.12 H new ATOM 0 HD12 LEU A 52 -10.368 12.957 -8.777 1.00 34.12 H new ATOM 0 HD13 LEU A 52 -9.211 14.250 -9.171 1.00 34.12 H new ATOM 0 HD21 LEU A 52 -10.488 16.361 -7.328 1.00 31.05 H new ATOM 0 HD22 LEU A 52 -9.986 16.686 -9.004 1.00 31.05 H new ATOM 0 HD23 LEU A 52 -11.659 17.015 -8.496 1.00 31.05 H new ATOM 800 N GLY A 53 -12.468 11.715 -9.458 1.00 51.52 N ATOM 801 CA GLY A 53 -11.960 10.365 -9.310 1.00 21.11 C ATOM 802 C GLY A 53 -10.520 10.334 -8.838 1.00 52.14 C ATOM 803 O GLY A 53 -10.164 10.997 -7.864 1.00 14.12 O ATOM 0 H GLY A 53 -13.080 12.028 -8.704 1.00 51.52 H new ATOM 0 HA2 GLY A 53 -12.583 9.822 -8.600 1.00 21.11 H new ATOM 0 HA3 GLY A 53 -12.037 9.845 -10.265 1.00 21.11 H new ATOM 807 N TYR A 54 -9.688 9.562 -9.529 1.00 54.43 N ATOM 808 CA TYR A 54 -8.279 9.445 -9.173 1.00 54.53 C ATOM 809 C TYR A 54 -7.463 10.570 -9.803 1.00 73.12 C ATOM 810 O TYR A 54 -7.656 10.914 -10.971 1.00 23.03 O ATOM 811 CB TYR A 54 -7.731 8.089 -9.619 1.00 44.14 C ATOM 812 CG TYR A 54 -7.701 7.056 -8.516 1.00 51.34 C ATOM 813 CD1 TYR A 54 -8.767 6.922 -7.634 1.00 40.22 C ATOM 814 CD2 TYR A 54 -6.608 6.214 -8.355 1.00 60.10 C ATOM 815 CE1 TYR A 54 -8.744 5.980 -6.624 1.00 73.10 C ATOM 816 CE2 TYR A 54 -6.577 5.268 -7.349 1.00 33.23 C ATOM 817 CZ TYR A 54 -7.648 5.154 -6.486 1.00 11.33 C ATOM 818 OH TYR A 54 -7.621 4.214 -5.482 1.00 63.01 O ATOM 0 H TYR A 54 -9.965 9.008 -10.339 1.00 54.43 H new ATOM 0 HA TYR A 54 -8.195 9.524 -8.089 1.00 54.53 H new ATOM 0 HB2 TYR A 54 -8.340 7.713 -10.441 1.00 44.14 H new ATOM 0 HB3 TYR A 54 -6.721 8.224 -10.006 1.00 44.14 H new ATOM 0 HD1 TYR A 54 -9.628 7.565 -7.740 1.00 40.22 H new ATOM 0 HD2 TYR A 54 -5.768 6.301 -9.028 1.00 60.10 H new ATOM 0 HE1 TYR A 54 -9.580 5.891 -5.946 1.00 73.10 H new ATOM 0 HE2 TYR A 54 -5.719 4.621 -7.238 1.00 33.23 H new ATOM 0 HH TYR A 54 -6.779 3.714 -5.524 1.00 63.01 H new ATOM 828 N PHE A 55 -6.551 11.138 -9.023 1.00 41.12 N ATOM 829 CA PHE A 55 -5.704 12.224 -9.503 1.00 11.43 C ATOM 830 C PHE A 55 -4.271 12.058 -9.005 1.00 34.21 C ATOM 831 O PHE A 55 -3.952 11.097 -8.305 1.00 35.45 O ATOM 832 CB PHE A 55 -6.260 13.574 -9.046 1.00 13.53 C ATOM 833 CG PHE A 55 -5.744 14.013 -7.705 1.00 44.01 C ATOM 834 CD1 PHE A 55 -5.807 13.163 -6.612 1.00 2.43 C ATOM 835 CD2 PHE A 55 -5.195 15.275 -7.538 1.00 35.52 C ATOM 836 CE1 PHE A 55 -5.331 13.564 -5.377 1.00 75.21 C ATOM 837 CE2 PHE A 55 -4.719 15.680 -6.306 1.00 13.21 C ATOM 838 CZ PHE A 55 -4.788 14.824 -5.225 1.00 21.15 C ATOM 0 H PHE A 55 -6.379 10.865 -8.055 1.00 41.12 H new ATOM 0 HA PHE A 55 -5.698 12.191 -10.592 1.00 11.43 H new ATOM 0 HB2 PHE A 55 -6.009 14.331 -9.789 1.00 13.53 H new ATOM 0 HB3 PHE A 55 -7.348 13.515 -9.006 1.00 13.53 H new ATOM 0 HD1 PHE A 55 -6.232 12.177 -6.726 1.00 2.43 H new ATOM 0 HD2 PHE A 55 -5.139 15.949 -8.380 1.00 35.52 H new ATOM 0 HE1 PHE A 55 -5.384 12.892 -4.533 1.00 75.21 H new ATOM 0 HE2 PHE A 55 -4.293 16.666 -6.189 1.00 13.21 H new ATOM 0 HZ PHE A 55 -4.417 15.140 -4.261 1.00 21.15 H new ATOM 848 N THR A 56 -3.410 13.000 -9.373 1.00 45.34 N ATOM 849 CA THR A 56 -2.011 12.959 -8.967 1.00 24.45 C ATOM 850 C THR A 56 -1.450 14.364 -8.776 1.00 32.22 C ATOM 851 O THR A 56 -2.119 15.355 -9.070 1.00 70.33 O ATOM 852 CB THR A 56 -1.147 12.210 -10.000 1.00 33.14 C ATOM 853 OG1 THR A 56 -1.049 12.978 -11.204 1.00 71.21 O ATOM 854 CG2 THR A 56 -1.738 10.843 -10.311 1.00 14.13 C ATOM 0 H THR A 56 -3.657 13.802 -9.953 1.00 45.34 H new ATOM 0 HA THR A 56 -1.975 12.425 -8.018 1.00 24.45 H new ATOM 0 HB THR A 56 -0.153 12.070 -9.576 1.00 33.14 H new ATOM 0 HG1 THR A 56 -0.497 12.497 -11.855 1.00 71.21 H new ATOM 0 HG21 THR A 56 -1.111 10.333 -11.042 1.00 14.13 H new ATOM 0 HG22 THR A 56 -1.785 10.250 -9.397 1.00 14.13 H new ATOM 0 HG23 THR A 56 -2.743 10.965 -10.716 1.00 14.13 H new ATOM 862 N LYS A 57 -0.220 14.443 -8.282 1.00 70.24 N ATOM 863 CA LYS A 57 0.432 15.727 -8.054 1.00 21.44 C ATOM 864 C LYS A 57 0.926 16.328 -9.366 1.00 25.34 C ATOM 865 O LYS A 57 1.857 15.813 -9.984 1.00 34.33 O ATOM 866 CB LYS A 57 1.604 15.562 -7.084 1.00 3.35 C ATOM 867 CG LYS A 57 1.270 14.719 -5.864 1.00 40.42 C ATOM 868 CD LYS A 57 1.988 15.224 -4.624 1.00 2.43 C ATOM 869 CE LYS A 57 3.371 14.605 -4.489 1.00 75.42 C ATOM 870 NZ LYS A 57 4.387 15.334 -5.296 1.00 73.43 N ATOM 0 H LYS A 57 0.346 13.632 -8.031 1.00 70.24 H new ATOM 0 HA LYS A 57 -0.301 16.405 -7.617 1.00 21.44 H new ATOM 0 HB2 LYS A 57 2.441 15.106 -7.613 1.00 3.35 H new ATOM 0 HB3 LYS A 57 1.934 16.547 -6.755 1.00 3.35 H new ATOM 0 HG2 LYS A 57 0.193 14.734 -5.694 1.00 40.42 H new ATOM 0 HG3 LYS A 57 1.549 13.682 -6.050 1.00 40.42 H new ATOM 0 HD2 LYS A 57 2.077 16.309 -4.671 1.00 2.43 H new ATOM 0 HD3 LYS A 57 1.396 14.991 -3.739 1.00 2.43 H new ATOM 0 HE2 LYS A 57 3.669 14.609 -3.441 1.00 75.42 H new ATOM 0 HE3 LYS A 57 3.335 13.563 -4.807 1.00 75.42 H new ATOM 0 HZ1 LYS A 57 5.329 14.934 -5.111 1.00 73.43 H new ATOM 0 HZ2 LYS A 57 4.162 15.237 -6.307 1.00 73.43 H new ATOM 0 HZ3 LYS A 57 4.381 16.341 -5.035 1.00 73.43 H new ATOM 884 N GLY A 58 0.296 17.421 -9.785 1.00 42.20 N ATOM 885 CA GLY A 58 0.687 18.074 -11.021 1.00 72.10 C ATOM 886 C GLY A 58 -0.456 18.174 -12.011 1.00 73.12 C ATOM 887 O GLY A 58 -0.246 18.478 -13.185 1.00 3.25 O ATOM 0 H GLY A 58 -0.478 17.866 -9.291 1.00 42.20 H new ATOM 0 HA2 GLY A 58 1.059 19.074 -10.798 1.00 72.10 H new ATOM 0 HA3 GLY A 58 1.510 17.522 -11.475 1.00 72.10 H new ATOM 891 N MET A 59 -1.672 17.916 -11.537 1.00 44.10 N ATOM 892 CA MET A 59 -2.852 17.978 -12.390 1.00 13.34 C ATOM 893 C MET A 59 -3.866 18.978 -11.842 1.00 33.41 C ATOM 894 O MET A 59 -4.943 19.157 -12.409 1.00 74.24 O ATOM 895 CB MET A 59 -3.496 16.595 -12.507 1.00 44.24 C ATOM 896 CG MET A 59 -2.679 15.613 -13.330 1.00 44.14 C ATOM 897 SD MET A 59 -3.128 15.626 -15.077 1.00 45.43 S ATOM 898 CE MET A 59 -4.042 14.092 -15.204 1.00 22.34 C ATOM 0 H MET A 59 -1.864 17.662 -10.568 1.00 44.10 H new ATOM 0 HA MET A 59 -2.538 18.310 -13.380 1.00 13.34 H new ATOM 0 HB2 MET A 59 -3.642 16.185 -11.508 1.00 44.24 H new ATOM 0 HB3 MET A 59 -4.484 16.700 -12.956 1.00 44.24 H new ATOM 0 HG2 MET A 59 -1.621 15.853 -13.229 1.00 44.14 H new ATOM 0 HG3 MET A 59 -2.817 14.608 -12.931 1.00 44.14 H new ATOM 0 HE1 MET A 59 -4.387 13.958 -16.229 1.00 22.34 H new ATOM 0 HE2 MET A 59 -3.396 13.259 -14.927 1.00 22.34 H new ATOM 0 HE3 MET A 59 -4.901 14.124 -14.533 1.00 22.34 H new ATOM 908 N MET A 60 -3.514 19.627 -10.737 1.00 41.10 N ATOM 909 CA MET A 60 -4.393 20.609 -10.115 1.00 13.11 C ATOM 910 C MET A 60 -3.627 21.882 -9.768 1.00 32.24 C ATOM 911 O MET A 60 -2.481 22.060 -10.181 1.00 2.42 O ATOM 912 CB MET A 60 -5.033 20.025 -8.853 1.00 53.23 C ATOM 913 CG MET A 60 -5.735 18.698 -9.088 1.00 24.55 C ATOM 914 SD MET A 60 -7.353 18.894 -9.859 1.00 65.30 S ATOM 915 CE MET A 60 -7.494 17.345 -10.747 1.00 32.22 C ATOM 0 H MET A 60 -2.626 19.490 -10.254 1.00 41.10 H new ATOM 0 HA MET A 60 -5.177 20.861 -10.829 1.00 13.11 H new ATOM 0 HB2 MET A 60 -4.263 19.890 -8.094 1.00 53.23 H new ATOM 0 HB3 MET A 60 -5.751 20.741 -8.455 1.00 53.23 H new ATOM 0 HG2 MET A 60 -5.110 18.068 -9.720 1.00 24.55 H new ATOM 0 HG3 MET A 60 -5.851 18.179 -8.136 1.00 24.55 H new ATOM 0 HE1 MET A 60 -8.446 17.315 -11.277 1.00 32.22 H new ATOM 0 HE2 MET A 60 -6.677 17.261 -11.464 1.00 32.22 H new ATOM 0 HE3 MET A 60 -7.445 16.515 -10.042 1.00 32.22 H new ATOM 925 N VAL A 61 -4.267 22.764 -9.008 1.00 12.24 N ATOM 926 CA VAL A 61 -3.646 24.020 -8.605 1.00 51.01 C ATOM 927 C VAL A 61 -3.072 23.922 -7.196 1.00 23.23 C ATOM 928 O VAL A 61 -3.343 22.967 -6.468 1.00 64.53 O ATOM 929 CB VAL A 61 -4.650 25.186 -8.658 1.00 53.23 C ATOM 930 CG1 VAL A 61 -5.299 25.271 -10.032 1.00 22.55 C ATOM 931 CG2 VAL A 61 -5.704 25.032 -7.571 1.00 23.25 C ATOM 0 H VAL A 61 -5.216 22.632 -8.659 1.00 12.24 H new ATOM 0 HA VAL A 61 -2.838 24.214 -9.311 1.00 51.01 H new ATOM 0 HB VAL A 61 -4.109 26.115 -8.480 1.00 53.23 H new ATOM 0 HG11 VAL A 61 -6.005 26.101 -10.050 1.00 22.55 H new ATOM 0 HG12 VAL A 61 -4.531 25.432 -10.788 1.00 22.55 H new ATOM 0 HG13 VAL A 61 -5.827 24.341 -10.243 1.00 22.55 H new ATOM 0 HG21 VAL A 61 -6.405 25.865 -7.623 1.00 23.25 H new ATOM 0 HG22 VAL A 61 -6.242 24.095 -7.716 1.00 23.25 H new ATOM 0 HG23 VAL A 61 -5.221 25.025 -6.594 1.00 23.25 H new ATOM 941 N LYS A 62 -2.277 24.917 -6.816 1.00 13.45 N ATOM 942 CA LYS A 62 -1.666 24.947 -5.493 1.00 62.51 C ATOM 943 C LYS A 62 -2.728 24.877 -4.401 1.00 1.05 C ATOM 944 O LYS A 62 -2.737 23.971 -3.567 1.00 20.43 O ATOM 945 CB LYS A 62 -0.828 26.216 -5.324 1.00 25.51 C ATOM 946 CG LYS A 62 -0.784 26.730 -3.895 1.00 50.24 C ATOM 947 CD LYS A 62 0.307 27.771 -3.710 1.00 65.34 C ATOM 948 CE LYS A 62 0.373 28.260 -2.272 1.00 4.43 C ATOM 949 NZ LYS A 62 -0.522 29.428 -2.042 1.00 20.33 N ATOM 0 H LYS A 62 -2.041 25.714 -7.407 1.00 13.45 H new ATOM 0 HA LYS A 62 -1.017 24.076 -5.400 1.00 62.51 H new ATOM 0 HB2 LYS A 62 0.189 26.017 -5.661 1.00 25.51 H new ATOM 0 HB3 LYS A 62 -1.231 26.996 -5.970 1.00 25.51 H new ATOM 0 HG2 LYS A 62 -1.749 27.163 -3.633 1.00 50.24 H new ATOM 0 HG3 LYS A 62 -0.613 25.897 -3.213 1.00 50.24 H new ATOM 0 HD2 LYS A 62 1.269 27.346 -3.995 1.00 65.34 H new ATOM 0 HD3 LYS A 62 0.122 28.615 -4.374 1.00 65.34 H new ATOM 0 HE2 LYS A 62 0.092 27.449 -1.599 1.00 4.43 H new ATOM 0 HE3 LYS A 62 1.399 28.535 -2.029 1.00 4.43 H new ATOM 0 HZ1 LYS A 62 -0.448 29.732 -1.050 1.00 20.33 H new ATOM 0 HZ2 LYS A 62 -0.239 30.211 -2.666 1.00 20.33 H new ATOM 0 HZ3 LYS A 62 -1.505 29.158 -2.250 1.00 20.33 H new ATOM 963 N PRO A 63 -3.646 25.855 -4.404 1.00 32.35 N ATOM 964 CA PRO A 63 -4.730 25.925 -3.420 1.00 11.23 C ATOM 965 C PRO A 63 -5.764 24.820 -3.616 1.00 42.22 C ATOM 966 O PRO A 63 -6.968 25.075 -3.610 1.00 32.11 O ATOM 967 CB PRO A 63 -5.358 27.297 -3.681 1.00 21.12 C ATOM 968 CG PRO A 63 -5.037 27.596 -5.104 1.00 23.22 C ATOM 969 CD PRO A 63 -3.696 26.967 -5.367 1.00 1.04 C ATOM 0 HA PRO A 63 -4.365 25.795 -2.401 1.00 11.23 H new ATOM 0 HB2 PRO A 63 -6.435 27.278 -3.514 1.00 21.12 H new ATOM 0 HB3 PRO A 63 -4.945 28.054 -3.015 1.00 21.12 H new ATOM 0 HG2 PRO A 63 -5.797 27.187 -5.770 1.00 23.22 H new ATOM 0 HG3 PRO A 63 -5.005 28.671 -5.279 1.00 23.22 H new ATOM 0 HD2 PRO A 63 -3.613 26.613 -6.394 1.00 1.04 H new ATOM 0 HD3 PRO A 63 -2.882 27.674 -5.207 1.00 1.04 H new ATOM 977 N PHE A 64 -5.285 23.593 -3.790 1.00 54.14 N ATOM 978 CA PHE A 64 -6.168 22.449 -3.989 1.00 44.21 C ATOM 979 C PHE A 64 -5.396 21.139 -3.866 1.00 44.10 C ATOM 980 O PHE A 64 -5.708 20.301 -3.021 1.00 20.11 O ATOM 981 CB PHE A 64 -6.841 22.530 -5.361 1.00 50.53 C ATOM 982 CG PHE A 64 -7.719 21.351 -5.669 1.00 25.14 C ATOM 983 CD1 PHE A 64 -7.180 20.192 -6.203 1.00 74.43 C ATOM 984 CD2 PHE A 64 -9.081 21.401 -5.422 1.00 54.30 C ATOM 985 CE1 PHE A 64 -7.986 19.105 -6.489 1.00 10.52 C ATOM 986 CE2 PHE A 64 -9.891 20.318 -5.705 1.00 51.10 C ATOM 987 CZ PHE A 64 -9.342 19.168 -6.238 1.00 12.33 C ATOM 0 H PHE A 64 -4.291 23.365 -3.797 1.00 54.14 H new ATOM 0 HA PHE A 64 -6.934 22.474 -3.214 1.00 44.21 H new ATOM 0 HB2 PHE A 64 -7.438 23.440 -5.410 1.00 50.53 H new ATOM 0 HB3 PHE A 64 -6.072 22.611 -6.130 1.00 50.53 H new ATOM 0 HD1 PHE A 64 -6.119 20.137 -6.398 1.00 74.43 H new ATOM 0 HD2 PHE A 64 -9.515 22.297 -5.003 1.00 54.30 H new ATOM 0 HE1 PHE A 64 -7.555 18.208 -6.908 1.00 10.52 H new ATOM 0 HE2 PHE A 64 -10.952 20.371 -5.510 1.00 51.10 H new ATOM 0 HZ PHE A 64 -9.973 18.319 -6.458 1.00 12.33 H new ATOM 997 N GLU A 65 -4.388 20.970 -4.716 1.00 3.14 N ATOM 998 CA GLU A 65 -3.572 19.762 -4.702 1.00 13.02 C ATOM 999 C GLU A 65 -3.068 19.460 -3.294 1.00 15.42 C ATOM 1000 O GLU A 65 -3.140 18.323 -2.827 1.00 0.41 O ATOM 1001 CB GLU A 65 -2.388 19.908 -5.659 1.00 44.10 C ATOM 1002 CG GLU A 65 -1.384 18.770 -5.566 1.00 15.35 C ATOM 1003 CD GLU A 65 -0.216 18.943 -6.516 1.00 11.15 C ATOM 1004 OE1 GLU A 65 -0.458 19.235 -7.706 1.00 24.42 O ATOM 1005 OE2 GLU A 65 0.941 18.787 -6.070 1.00 75.52 O ATOM 0 H GLU A 65 -4.117 21.654 -5.422 1.00 3.14 H new ATOM 0 HA GLU A 65 -4.196 18.931 -5.031 1.00 13.02 H new ATOM 0 HB2 GLU A 65 -2.763 19.967 -6.681 1.00 44.10 H new ATOM 0 HB3 GLU A 65 -1.878 20.849 -5.451 1.00 44.10 H new ATOM 0 HG2 GLU A 65 -1.010 18.703 -4.544 1.00 15.35 H new ATOM 0 HG3 GLU A 65 -1.887 17.828 -5.783 1.00 15.35 H new ATOM 1012 N ASP A 66 -2.558 20.487 -2.622 1.00 53.32 N ATOM 1013 CA ASP A 66 -2.043 20.334 -1.266 1.00 54.14 C ATOM 1014 C ASP A 66 -3.069 19.651 -0.368 1.00 74.14 C ATOM 1015 O ASP A 66 -2.767 18.658 0.293 1.00 1.23 O ATOM 1016 CB ASP A 66 -1.665 21.696 -0.685 1.00 3.42 C ATOM 1017 CG ASP A 66 -1.514 21.661 0.823 1.00 35.55 C ATOM 1018 OD1 ASP A 66 -0.553 21.028 1.309 1.00 52.00 O ATOM 1019 OD2 ASP A 66 -2.357 22.266 1.518 1.00 52.34 O ATOM 0 H ASP A 66 -2.490 21.434 -2.994 1.00 53.32 H new ATOM 0 HA ASP A 66 -1.153 19.707 -1.311 1.00 54.14 H new ATOM 0 HB2 ASP A 66 -0.730 22.032 -1.133 1.00 3.42 H new ATOM 0 HB3 ASP A 66 -2.428 22.427 -0.954 1.00 3.42 H new ATOM 1024 N ALA A 67 -4.285 20.190 -0.351 1.00 23.05 N ATOM 1025 CA ALA A 67 -5.355 19.631 0.465 1.00 53.22 C ATOM 1026 C ALA A 67 -6.218 18.669 -0.345 1.00 23.11 C ATOM 1027 O ALA A 67 -7.424 18.566 -0.125 1.00 53.33 O ATOM 1028 CB ALA A 67 -6.211 20.747 1.047 1.00 35.22 C ATOM 0 H ALA A 67 -4.552 21.012 -0.893 1.00 23.05 H new ATOM 0 HA ALA A 67 -4.901 19.071 1.282 1.00 53.22 H new ATOM 0 HB1 ALA A 67 -7.007 20.316 1.655 1.00 35.22 H new ATOM 0 HB2 ALA A 67 -5.592 21.395 1.667 1.00 35.22 H new ATOM 0 HB3 ALA A 67 -6.649 21.330 0.237 1.00 35.22 H new ATOM 1034 N ALA A 68 -5.591 17.965 -1.281 1.00 63.23 N ATOM 1035 CA ALA A 68 -6.300 17.010 -2.123 1.00 13.21 C ATOM 1036 C ALA A 68 -5.921 15.577 -1.765 1.00 74.44 C ATOM 1037 O ALA A 68 -6.647 14.634 -2.085 1.00 22.21 O ATOM 1038 CB ALA A 68 -6.011 17.284 -3.591 1.00 72.44 C ATOM 0 H ALA A 68 -4.592 18.038 -1.475 1.00 63.23 H new ATOM 0 HA ALA A 68 -7.369 17.130 -1.947 1.00 13.21 H new ATOM 0 HB1 ALA A 68 -6.547 16.563 -4.208 1.00 72.44 H new ATOM 0 HB2 ALA A 68 -6.338 18.292 -3.844 1.00 72.44 H new ATOM 0 HB3 ALA A 68 -4.940 17.193 -3.774 1.00 72.44 H new ATOM 1044 N PHE A 69 -4.781 15.418 -1.102 1.00 44.10 N ATOM 1045 CA PHE A 69 -4.305 14.099 -0.703 1.00 55.11 C ATOM 1046 C PHE A 69 -3.843 14.104 0.752 1.00 44.44 C ATOM 1047 O PHE A 69 -3.299 13.117 1.246 1.00 3.22 O ATOM 1048 CB PHE A 69 -3.160 13.649 -1.613 1.00 11.43 C ATOM 1049 CG PHE A 69 -2.179 14.743 -1.926 1.00 14.12 C ATOM 1050 CD1 PHE A 69 -1.486 15.383 -0.911 1.00 72.40 C ATOM 1051 CD2 PHE A 69 -1.951 15.133 -3.236 1.00 42.02 C ATOM 1052 CE1 PHE A 69 -0.582 16.389 -1.196 1.00 13.25 C ATOM 1053 CE2 PHE A 69 -1.049 16.138 -3.528 1.00 1.42 C ATOM 1054 CZ PHE A 69 -0.365 16.768 -2.506 1.00 23.43 C ATOM 0 H PHE A 69 -4.169 16.187 -0.829 1.00 44.10 H new ATOM 0 HA PHE A 69 -5.133 13.397 -0.800 1.00 55.11 H new ATOM 0 HB2 PHE A 69 -2.631 12.823 -1.137 1.00 11.43 H new ATOM 0 HB3 PHE A 69 -3.576 13.267 -2.545 1.00 11.43 H new ATOM 0 HD1 PHE A 69 -1.654 15.092 0.115 1.00 72.40 H new ATOM 0 HD2 PHE A 69 -2.485 14.646 -4.038 1.00 42.02 H new ATOM 0 HE1 PHE A 69 -0.046 16.878 -0.396 1.00 13.25 H new ATOM 0 HE2 PHE A 69 -0.879 16.431 -4.554 1.00 1.42 H new ATOM 0 HZ PHE A 69 0.338 17.556 -2.731 1.00 23.43 H new ATOM 1064 N LYS A 70 -4.062 15.225 1.431 1.00 32.44 N ATOM 1065 CA LYS A 70 -3.670 15.361 2.829 1.00 11.31 C ATOM 1066 C LYS A 70 -4.763 14.837 3.754 1.00 24.15 C ATOM 1067 O LYS A 70 -4.538 14.647 4.951 1.00 15.14 O ATOM 1068 CB LYS A 70 -3.370 16.826 3.155 1.00 44.43 C ATOM 1069 CG LYS A 70 -4.590 17.612 3.603 1.00 52.11 C ATOM 1070 CD LYS A 70 -4.272 19.089 3.768 1.00 34.13 C ATOM 1071 CE LYS A 70 -3.363 19.332 4.964 1.00 13.13 C ATOM 1072 NZ LYS A 70 -4.132 19.414 6.237 1.00 3.22 N ATOM 0 H LYS A 70 -4.509 16.052 1.036 1.00 32.44 H new ATOM 0 HA LYS A 70 -2.769 14.768 2.988 1.00 11.31 H new ATOM 0 HB2 LYS A 70 -2.614 16.867 3.939 1.00 44.43 H new ATOM 0 HB3 LYS A 70 -2.943 17.305 2.274 1.00 44.43 H new ATOM 0 HG2 LYS A 70 -5.390 17.491 2.873 1.00 52.11 H new ATOM 0 HG3 LYS A 70 -4.956 17.210 4.548 1.00 52.11 H new ATOM 0 HD2 LYS A 70 -3.793 19.463 2.863 1.00 34.13 H new ATOM 0 HD3 LYS A 70 -5.198 19.650 3.893 1.00 34.13 H new ATOM 0 HE2 LYS A 70 -2.631 18.528 5.033 1.00 13.13 H new ATOM 0 HE3 LYS A 70 -2.807 20.257 4.815 1.00 13.13 H new ATOM 0 HZ1 LYS A 70 -3.477 19.580 7.028 1.00 3.22 H new ATOM 0 HZ2 LYS A 70 -4.813 20.198 6.181 1.00 3.22 H new ATOM 0 HZ3 LYS A 70 -4.643 18.521 6.392 1.00 3.22 H new ATOM 1086 N LEU A 71 -5.944 14.604 3.194 1.00 35.35 N ATOM 1087 CA LEU A 71 -7.072 14.100 3.971 1.00 52.14 C ATOM 1088 C LEU A 71 -6.995 12.583 4.121 1.00 53.53 C ATOM 1089 O LEU A 71 -6.005 11.963 3.738 1.00 44.12 O ATOM 1090 CB LEU A 71 -8.391 14.492 3.302 1.00 35.44 C ATOM 1091 CG LEU A 71 -8.438 15.884 2.672 1.00 23.33 C ATOM 1092 CD1 LEU A 71 -9.597 15.989 1.694 1.00 62.13 C ATOM 1093 CD2 LEU A 71 -8.549 16.953 3.750 1.00 63.12 C ATOM 0 H LEU A 71 -6.146 14.756 2.206 1.00 35.35 H new ATOM 0 HA LEU A 71 -7.028 14.547 4.964 1.00 52.14 H new ATOM 0 HB2 LEU A 71 -8.615 13.758 2.528 1.00 35.44 H new ATOM 0 HB3 LEU A 71 -9.186 14.425 4.045 1.00 35.44 H new ATOM 0 HG LEU A 71 -7.511 16.045 2.122 1.00 23.33 H new ATOM 0 HD11 LEU A 71 -9.614 16.987 1.256 1.00 62.13 H new ATOM 0 HD12 LEU A 71 -9.475 15.248 0.904 1.00 62.13 H new ATOM 0 HD13 LEU A 71 -10.534 15.808 2.220 1.00 62.13 H new ATOM 0 HD21 LEU A 71 -8.581 17.938 3.284 1.00 63.12 H new ATOM 0 HD22 LEU A 71 -9.460 16.795 4.327 1.00 63.12 H new ATOM 0 HD23 LEU A 71 -7.685 16.893 4.412 1.00 63.12 H new ATOM 1105 N GLN A 72 -8.049 11.995 4.677 1.00 1.41 N ATOM 1106 CA GLN A 72 -8.101 10.552 4.876 1.00 14.12 C ATOM 1107 C GLN A 72 -9.353 9.959 4.238 1.00 35.14 C ATOM 1108 O GLN A 72 -10.226 10.687 3.766 1.00 60.02 O ATOM 1109 CB GLN A 72 -8.067 10.219 6.369 1.00 52.50 C ATOM 1110 CG GLN A 72 -9.359 10.558 7.096 1.00 33.44 C ATOM 1111 CD GLN A 72 -9.343 10.119 8.547 1.00 31.32 C ATOM 1112 OE1 GLN A 72 -8.824 10.821 9.415 1.00 11.13 O ATOM 1113 NE2 GLN A 72 -9.914 8.951 8.819 1.00 71.01 N ATOM 0 H GLN A 72 -8.878 12.495 4.997 1.00 1.41 H new ATOM 0 HA GLN A 72 -7.227 10.113 4.394 1.00 14.12 H new ATOM 0 HB2 GLN A 72 -7.859 9.156 6.491 1.00 52.50 H new ATOM 0 HB3 GLN A 72 -7.244 10.761 6.835 1.00 52.50 H new ATOM 0 HG2 GLN A 72 -9.528 11.634 7.047 1.00 33.44 H new ATOM 0 HG3 GLN A 72 -10.195 10.081 6.585 1.00 33.44 H new ATOM 0 HE21 GLN A 72 -10.333 8.401 8.069 1.00 71.01 H new ATOM 0 HE22 GLN A 72 -9.934 8.604 9.778 1.00 71.01 H new ATOM 1122 N VAL A 73 -9.436 8.633 4.230 1.00 73.12 N ATOM 1123 CA VAL A 73 -10.582 7.941 3.651 1.00 13.15 C ATOM 1124 C VAL A 73 -11.890 8.469 4.229 1.00 54.52 C ATOM 1125 O VAL A 73 -12.148 8.344 5.425 1.00 40.50 O ATOM 1126 CB VAL A 73 -10.503 6.422 3.893 1.00 1.15 C ATOM 1127 CG1 VAL A 73 -10.303 6.126 5.372 1.00 43.52 C ATOM 1128 CG2 VAL A 73 -11.752 5.733 3.367 1.00 14.24 C ATOM 0 H VAL A 73 -8.723 8.015 4.618 1.00 73.12 H new ATOM 0 HA VAL A 73 -10.558 8.131 2.578 1.00 13.15 H new ATOM 0 HB VAL A 73 -9.644 6.030 3.349 1.00 1.15 H new ATOM 0 HG11 VAL A 73 -10.250 5.048 5.523 1.00 43.52 H new ATOM 0 HG12 VAL A 73 -9.376 6.587 5.713 1.00 43.52 H new ATOM 0 HG13 VAL A 73 -11.140 6.531 5.941 1.00 43.52 H new ATOM 0 HG21 VAL A 73 -11.679 4.660 3.546 1.00 14.24 H new ATOM 0 HG22 VAL A 73 -12.629 6.128 3.880 1.00 14.24 H new ATOM 0 HG23 VAL A 73 -11.845 5.916 2.297 1.00 14.24 H new ATOM 1138 N GLY A 74 -12.715 9.060 3.369 1.00 74.01 N ATOM 1139 CA GLY A 74 -13.989 9.598 3.812 1.00 21.25 C ATOM 1140 C GLY A 74 -13.827 10.829 4.681 1.00 1.12 C ATOM 1141 O GLY A 74 -14.459 10.944 5.730 1.00 75.30 O ATOM 0 H GLY A 74 -12.524 9.176 2.374 1.00 74.01 H new ATOM 0 HA2 GLY A 74 -14.596 9.848 2.942 1.00 21.25 H new ATOM 0 HA3 GLY A 74 -14.529 8.832 4.369 1.00 21.25 H new ATOM 1145 N GLU A 75 -12.975 11.752 4.243 1.00 20.35 N ATOM 1146 CA GLU A 75 -12.730 12.980 4.990 1.00 33.35 C ATOM 1147 C GLU A 75 -12.869 14.203 4.089 1.00 75.34 C ATOM 1148 O GLU A 75 -12.405 14.203 2.948 1.00 0.43 O ATOM 1149 CB GLU A 75 -11.336 12.951 5.619 1.00 0.51 C ATOM 1150 CG GLU A 75 -11.294 13.503 7.034 1.00 54.51 C ATOM 1151 CD GLU A 75 -12.175 12.724 7.991 1.00 34.12 C ATOM 1152 OE1 GLU A 75 -11.894 11.526 8.211 1.00 15.55 O ATOM 1153 OE2 GLU A 75 -13.143 13.309 8.518 1.00 34.42 O ATOM 0 H GLU A 75 -12.444 11.672 3.376 1.00 20.35 H new ATOM 0 HA GLU A 75 -13.476 13.048 5.782 1.00 33.35 H new ATOM 0 HB2 GLU A 75 -10.972 11.924 5.628 1.00 0.51 H new ATOM 0 HB3 GLU A 75 -10.653 13.526 4.994 1.00 0.51 H new ATOM 0 HG2 GLU A 75 -10.266 13.485 7.396 1.00 54.51 H new ATOM 0 HG3 GLU A 75 -11.610 14.546 7.023 1.00 54.51 H new ATOM 1160 N VAL A 76 -13.513 15.244 4.608 1.00 44.32 N ATOM 1161 CA VAL A 76 -13.712 16.474 3.850 1.00 33.04 C ATOM 1162 C VAL A 76 -12.647 17.509 4.191 1.00 0.45 C ATOM 1163 O VAL A 76 -12.325 17.721 5.361 1.00 55.43 O ATOM 1164 CB VAL A 76 -15.104 17.078 4.118 1.00 61.03 C ATOM 1165 CG1 VAL A 76 -15.288 18.365 3.329 1.00 51.45 C ATOM 1166 CG2 VAL A 76 -16.194 16.074 3.777 1.00 74.44 C ATOM 0 H VAL A 76 -13.905 15.260 5.549 1.00 44.32 H new ATOM 0 HA VAL A 76 -13.634 16.212 2.795 1.00 33.04 H new ATOM 0 HB VAL A 76 -15.180 17.316 5.179 1.00 61.03 H new ATOM 0 HG11 VAL A 76 -16.277 18.777 3.531 1.00 51.45 H new ATOM 0 HG12 VAL A 76 -14.527 19.086 3.626 1.00 51.45 H new ATOM 0 HG13 VAL A 76 -15.193 18.155 2.264 1.00 51.45 H new ATOM 0 HG21 VAL A 76 -17.171 16.517 3.972 1.00 74.44 H new ATOM 0 HG22 VAL A 76 -16.122 15.803 2.724 1.00 74.44 H new ATOM 0 HG23 VAL A 76 -16.071 15.181 4.390 1.00 74.44 H new ATOM 1176 N SER A 77 -12.104 18.152 3.164 1.00 43.21 N ATOM 1177 CA SER A 77 -11.071 19.164 3.354 1.00 34.03 C ATOM 1178 C SER A 77 -11.683 20.483 3.817 1.00 41.32 C ATOM 1179 O SER A 77 -12.851 20.538 4.199 1.00 43.22 O ATOM 1180 CB SER A 77 -10.291 19.378 2.056 1.00 2.31 C ATOM 1181 OG SER A 77 -10.865 20.416 1.281 1.00 72.23 O ATOM 0 H SER A 77 -12.362 17.991 2.190 1.00 43.21 H new ATOM 0 HA SER A 77 -10.387 18.810 4.125 1.00 34.03 H new ATOM 0 HB2 SER A 77 -9.254 19.623 2.287 1.00 2.31 H new ATOM 0 HB3 SER A 77 -10.279 18.453 1.479 1.00 2.31 H new ATOM 0 HG SER A 77 -10.206 21.129 1.150 1.00 72.23 H new ATOM 1187 N GLU A 78 -10.883 21.545 3.779 1.00 60.14 N ATOM 1188 CA GLU A 78 -11.344 22.864 4.194 1.00 14.35 C ATOM 1189 C GLU A 78 -11.613 23.753 2.983 1.00 4.45 C ATOM 1190 O GLU A 78 -11.142 23.494 1.876 1.00 74.13 O ATOM 1191 CB GLU A 78 -10.311 23.526 5.109 1.00 60.13 C ATOM 1192 CG GLU A 78 -8.874 23.195 4.743 1.00 34.44 C ATOM 1193 CD GLU A 78 -7.869 23.866 5.660 1.00 75.23 C ATOM 1194 OE1 GLU A 78 -8.295 24.642 6.540 1.00 73.41 O ATOM 1195 OE2 GLU A 78 -6.658 23.614 5.496 1.00 44.14 O ATOM 0 H GLU A 78 -9.913 21.517 3.465 1.00 60.14 H new ATOM 0 HA GLU A 78 -12.277 22.738 4.744 1.00 14.35 H new ATOM 0 HB2 GLU A 78 -10.446 24.607 5.074 1.00 60.13 H new ATOM 0 HB3 GLU A 78 -10.496 23.215 6.137 1.00 60.13 H new ATOM 0 HG2 GLU A 78 -8.732 22.115 4.783 1.00 34.44 H new ATOM 0 HG3 GLU A 78 -8.685 23.503 3.715 1.00 34.44 H new ATOM 1202 N PRO A 79 -12.385 24.828 3.199 1.00 71.23 N ATOM 1203 CA PRO A 79 -12.734 25.778 2.138 1.00 51.12 C ATOM 1204 C PRO A 79 -11.537 26.608 1.688 1.00 60.13 C ATOM 1205 O PRO A 79 -11.339 27.731 2.151 1.00 42.42 O ATOM 1206 CB PRO A 79 -13.787 26.673 2.795 1.00 74.20 C ATOM 1207 CG PRO A 79 -13.499 26.588 4.254 1.00 54.43 C ATOM 1208 CD PRO A 79 -12.979 25.199 4.495 1.00 63.41 C ATOM 0 HA PRO A 79 -13.085 25.273 1.238 1.00 51.12 H new ATOM 0 HB2 PRO A 79 -13.714 27.700 2.436 1.00 74.20 H new ATOM 0 HB3 PRO A 79 -14.796 26.328 2.570 1.00 74.20 H new ATOM 0 HG2 PRO A 79 -12.764 27.336 4.551 1.00 54.43 H new ATOM 0 HG3 PRO A 79 -14.399 26.775 4.841 1.00 54.43 H new ATOM 0 HD2 PRO A 79 -12.240 25.180 5.296 1.00 63.41 H new ATOM 0 HD3 PRO A 79 -13.778 24.515 4.782 1.00 63.41 H new ATOM 1216 N ILE A 80 -10.742 26.047 0.781 1.00 3.43 N ATOM 1217 CA ILE A 80 -9.565 26.738 0.267 1.00 32.32 C ATOM 1218 C ILE A 80 -9.956 27.827 -0.725 1.00 74.12 C ATOM 1219 O ILE A 80 -10.403 27.540 -1.836 1.00 0.14 O ATOM 1220 CB ILE A 80 -8.593 25.760 -0.418 1.00 31.33 C ATOM 1221 CG1 ILE A 80 -8.319 24.558 0.489 1.00 14.24 C ATOM 1222 CG2 ILE A 80 -7.295 26.467 -0.777 1.00 23.35 C ATOM 1223 CD1 ILE A 80 -7.552 24.912 1.744 1.00 41.22 C ATOM 0 H ILE A 80 -10.892 25.118 0.388 1.00 3.43 H new ATOM 0 HA ILE A 80 -9.067 27.193 1.123 1.00 32.32 H new ATOM 0 HB ILE A 80 -9.053 25.399 -1.338 1.00 31.33 H new ATOM 0 HG12 ILE A 80 -9.268 24.101 0.769 1.00 14.24 H new ATOM 0 HG13 ILE A 80 -7.758 23.810 -0.072 1.00 14.24 H new ATOM 0 HG21 ILE A 80 -6.618 25.762 -1.260 1.00 23.35 H new ATOM 0 HG22 ILE A 80 -7.506 27.292 -1.457 1.00 23.35 H new ATOM 0 HG23 ILE A 80 -6.829 26.854 0.129 1.00 23.35 H new ATOM 0 HD11 ILE A 80 -7.393 24.013 2.339 1.00 41.22 H new ATOM 0 HD12 ILE A 80 -6.588 25.342 1.472 1.00 41.22 H new ATOM 0 HD13 ILE A 80 -8.121 25.637 2.326 1.00 41.22 H new ATOM 1235 N LYS A 81 -9.785 29.080 -0.318 1.00 43.31 N ATOM 1236 CA LYS A 81 -10.116 30.215 -1.171 1.00 74.11 C ATOM 1237 C LYS A 81 -9.085 30.379 -2.284 1.00 21.34 C ATOM 1238 O LYS A 81 -7.916 30.665 -2.023 1.00 35.32 O ATOM 1239 CB LYS A 81 -10.196 31.498 -0.341 1.00 42.53 C ATOM 1240 CG LYS A 81 -10.649 32.710 -1.137 1.00 3.53 C ATOM 1241 CD LYS A 81 -11.997 33.220 -0.657 1.00 24.14 C ATOM 1242 CE LYS A 81 -12.523 34.332 -1.551 1.00 3.34 C ATOM 1243 NZ LYS A 81 -11.794 35.612 -1.331 1.00 61.24 N ATOM 0 H LYS A 81 -9.418 29.335 0.599 1.00 43.31 H new ATOM 0 HA LYS A 81 -11.088 30.024 -1.626 1.00 74.11 H new ATOM 0 HB2 LYS A 81 -10.884 31.341 0.489 1.00 42.53 H new ATOM 0 HB3 LYS A 81 -9.217 31.703 0.091 1.00 42.53 H new ATOM 0 HG2 LYS A 81 -9.906 33.503 -1.048 1.00 3.53 H new ATOM 0 HG3 LYS A 81 -10.713 32.450 -2.194 1.00 3.53 H new ATOM 0 HD2 LYS A 81 -12.712 32.398 -0.638 1.00 24.14 H new ATOM 0 HD3 LYS A 81 -11.905 33.586 0.365 1.00 24.14 H new ATOM 0 HE2 LYS A 81 -12.427 34.034 -2.595 1.00 3.34 H new ATOM 0 HE3 LYS A 81 -13.585 34.481 -1.358 1.00 3.34 H new ATOM 0 HZ1 LYS A 81 -12.182 36.345 -1.959 1.00 61.24 H new ATOM 0 HZ2 LYS A 81 -11.906 35.910 -0.341 1.00 61.24 H new ATOM 0 HZ3 LYS A 81 -10.784 35.477 -1.540 1.00 61.24 H new ATOM 1257 N SER A 82 -9.526 30.199 -3.524 1.00 61.20 N ATOM 1258 CA SER A 82 -8.641 30.325 -4.676 1.00 31.41 C ATOM 1259 C SER A 82 -9.291 31.163 -5.772 1.00 52.13 C ATOM 1260 O SER A 82 -10.359 31.741 -5.575 1.00 21.41 O ATOM 1261 CB SER A 82 -8.279 28.941 -5.222 1.00 14.31 C ATOM 1262 OG SER A 82 -9.218 28.517 -6.196 1.00 22.21 O ATOM 0 H SER A 82 -10.491 29.965 -3.757 1.00 61.20 H new ATOM 0 HA SER A 82 -7.731 30.829 -4.350 1.00 31.41 H new ATOM 0 HB2 SER A 82 -7.282 28.969 -5.661 1.00 14.31 H new ATOM 0 HB3 SER A 82 -8.247 28.221 -4.405 1.00 14.31 H new ATOM 0 HG SER A 82 -9.185 27.541 -6.279 1.00 22.21 H new ATOM 1268 N GLU A 83 -8.637 31.223 -6.929 1.00 32.15 N ATOM 1269 CA GLU A 83 -9.152 31.991 -8.056 1.00 10.51 C ATOM 1270 C GLU A 83 -10.531 31.489 -8.474 1.00 61.22 C ATOM 1271 O GLU A 83 -11.325 32.229 -9.052 1.00 52.43 O ATOM 1272 CB GLU A 83 -8.187 31.909 -9.240 1.00 43.14 C ATOM 1273 CG GLU A 83 -7.834 30.487 -9.641 1.00 30.32 C ATOM 1274 CD GLU A 83 -6.890 30.431 -10.826 1.00 74.24 C ATOM 1275 OE1 GLU A 83 -7.362 30.610 -11.969 1.00 34.25 O ATOM 1276 OE2 GLU A 83 -5.681 30.207 -10.612 1.00 12.12 O ATOM 0 H GLU A 83 -7.752 30.750 -7.109 1.00 32.15 H new ATOM 0 HA GLU A 83 -9.244 33.031 -7.742 1.00 10.51 H new ATOM 0 HB2 GLU A 83 -8.631 32.419 -10.095 1.00 43.14 H new ATOM 0 HB3 GLU A 83 -7.271 32.445 -8.989 1.00 43.14 H new ATOM 0 HG2 GLU A 83 -7.377 29.978 -8.793 1.00 30.32 H new ATOM 0 HG3 GLU A 83 -8.748 29.945 -9.884 1.00 30.32 H new ATOM 1283 N PHE A 84 -10.807 30.223 -8.178 1.00 30.45 N ATOM 1284 CA PHE A 84 -12.089 29.619 -8.523 1.00 21.13 C ATOM 1285 C PHE A 84 -13.054 29.678 -7.342 1.00 3.13 C ATOM 1286 O PHE A 84 -14.263 29.522 -7.506 1.00 44.22 O ATOM 1287 CB PHE A 84 -11.890 28.166 -8.962 1.00 3.32 C ATOM 1288 CG PHE A 84 -10.771 27.986 -9.946 1.00 45.12 C ATOM 1289 CD1 PHE A 84 -10.750 28.703 -11.132 1.00 30.23 C ATOM 1290 CD2 PHE A 84 -9.739 27.098 -9.687 1.00 21.23 C ATOM 1291 CE1 PHE A 84 -9.721 28.539 -12.040 1.00 61.11 C ATOM 1292 CE2 PHE A 84 -8.707 26.930 -10.591 1.00 50.10 C ATOM 1293 CZ PHE A 84 -8.699 27.650 -11.770 1.00 3.14 C ATOM 0 H PHE A 84 -10.160 29.596 -7.700 1.00 30.45 H new ATOM 0 HA PHE A 84 -12.519 30.186 -9.349 1.00 21.13 H new ATOM 0 HB2 PHE A 84 -11.692 27.553 -8.083 1.00 3.32 H new ATOM 0 HB3 PHE A 84 -12.816 27.799 -9.405 1.00 3.32 H new ATOM 0 HD1 PHE A 84 -11.547 29.398 -11.349 1.00 30.23 H new ATOM 0 HD2 PHE A 84 -9.741 26.531 -8.768 1.00 21.23 H new ATOM 0 HE1 PHE A 84 -9.716 29.105 -12.960 1.00 61.11 H new ATOM 0 HE2 PHE A 84 -7.908 26.236 -10.376 1.00 50.10 H new ATOM 0 HZ PHE A 84 -7.895 27.518 -12.479 1.00 3.14 H new ATOM 1303 N GLY A 85 -12.509 29.904 -6.151 1.00 30.04 N ATOM 1304 CA GLY A 85 -13.335 29.979 -4.959 1.00 65.42 C ATOM 1305 C GLY A 85 -12.959 28.935 -3.927 1.00 5.32 C ATOM 1306 O GLY A 85 -11.851 28.397 -3.953 1.00 22.33 O ATOM 0 H GLY A 85 -11.511 30.037 -5.990 1.00 30.04 H new ATOM 0 HA2 GLY A 85 -13.242 30.971 -4.518 1.00 65.42 H new ATOM 0 HA3 GLY A 85 -14.381 29.851 -5.237 1.00 65.42 H new ATOM 1310 N TYR A 86 -13.880 28.649 -3.014 1.00 11.50 N ATOM 1311 CA TYR A 86 -13.638 27.665 -1.965 1.00 14.31 C ATOM 1312 C TYR A 86 -13.660 26.249 -2.531 1.00 32.44 C ATOM 1313 O TYR A 86 -14.655 25.815 -3.112 1.00 51.14 O ATOM 1314 CB TYR A 86 -14.685 27.801 -0.859 1.00 75.21 C ATOM 1315 CG TYR A 86 -14.619 29.118 -0.119 1.00 40.55 C ATOM 1316 CD1 TYR A 86 -13.480 29.485 0.586 1.00 63.11 C ATOM 1317 CD2 TYR A 86 -15.696 29.997 -0.128 1.00 4.24 C ATOM 1318 CE1 TYR A 86 -13.415 30.687 1.262 1.00 32.04 C ATOM 1319 CE2 TYR A 86 -15.639 31.202 0.546 1.00 54.11 C ATOM 1320 CZ TYR A 86 -14.497 31.542 1.240 1.00 14.23 C ATOM 1321 OH TYR A 86 -14.435 32.741 1.912 1.00 55.12 O ATOM 0 H TYR A 86 -14.802 29.085 -2.979 1.00 11.50 H new ATOM 0 HA TYR A 86 -12.650 27.853 -1.546 1.00 14.31 H new ATOM 0 HB2 TYR A 86 -15.678 27.688 -1.295 1.00 75.21 H new ATOM 0 HB3 TYR A 86 -14.556 26.987 -0.146 1.00 75.21 H new ATOM 0 HD1 TYR A 86 -12.630 28.819 0.606 1.00 63.11 H new ATOM 0 HD2 TYR A 86 -16.592 29.734 -0.671 1.00 4.24 H new ATOM 0 HE1 TYR A 86 -12.521 30.956 1.805 1.00 32.04 H new ATOM 0 HE2 TYR A 86 -16.484 31.874 0.529 1.00 54.11 H new ATOM 0 HH TYR A 86 -15.279 33.225 1.795 1.00 55.12 H new ATOM 1331 N HIS A 87 -12.554 25.532 -2.356 1.00 21.32 N ATOM 1332 CA HIS A 87 -12.445 24.163 -2.848 1.00 35.35 C ATOM 1333 C HIS A 87 -12.700 23.161 -1.726 1.00 33.31 C ATOM 1334 O HIS A 87 -12.057 23.212 -0.677 1.00 43.22 O ATOM 1335 CB HIS A 87 -11.062 23.925 -3.455 1.00 0.53 C ATOM 1336 CG HIS A 87 -10.859 24.612 -4.771 1.00 33.31 C ATOM 1337 ND1 HIS A 87 -11.059 23.986 -5.984 1.00 13.51 N ATOM 1338 CD2 HIS A 87 -10.475 25.876 -5.060 1.00 22.14 C ATOM 1339 CE1 HIS A 87 -10.804 24.837 -6.962 1.00 31.22 C ATOM 1340 NE2 HIS A 87 -10.448 25.991 -6.428 1.00 1.23 N ATOM 0 H HIS A 87 -11.721 25.876 -1.878 1.00 21.32 H new ATOM 0 HA HIS A 87 -13.202 24.019 -3.619 1.00 35.35 H new ATOM 0 HB2 HIS A 87 -10.302 24.270 -2.754 1.00 0.53 H new ATOM 0 HB3 HIS A 87 -10.912 22.854 -3.587 1.00 0.53 H new ATOM 0 HD1 HIS A 87 -11.357 23.018 -6.107 1.00 13.51 H new ATOM 0 HD2 HIS A 87 -10.234 26.651 -4.347 1.00 22.14 H new ATOM 0 HE1 HIS A 87 -10.875 24.625 -8.019 1.00 31.22 H new ATOM 1348 N ILE A 88 -13.642 22.252 -1.954 1.00 12.43 N ATOM 1349 CA ILE A 88 -13.982 21.239 -0.962 1.00 21.02 C ATOM 1350 C ILE A 88 -13.619 19.844 -1.457 1.00 60.42 C ATOM 1351 O ILE A 88 -14.449 19.145 -2.039 1.00 60.22 O ATOM 1352 CB ILE A 88 -15.481 21.274 -0.612 1.00 42.31 C ATOM 1353 CG1 ILE A 88 -15.874 22.660 -0.094 1.00 22.40 C ATOM 1354 CG2 ILE A 88 -15.809 20.205 0.419 1.00 61.24 C ATOM 1355 CD1 ILE A 88 -15.086 23.097 1.121 1.00 33.41 C ATOM 0 H ILE A 88 -14.183 22.196 -2.817 1.00 12.43 H new ATOM 0 HA ILE A 88 -13.404 21.467 -0.066 1.00 21.02 H new ATOM 0 HB ILE A 88 -16.055 21.068 -1.515 1.00 42.31 H new ATOM 0 HG12 ILE A 88 -15.732 23.390 -0.891 1.00 22.40 H new ATOM 0 HG13 ILE A 88 -16.936 22.659 0.153 1.00 22.40 H new ATOM 0 HG21 ILE A 88 -16.872 20.242 0.656 1.00 61.24 H new ATOM 0 HG22 ILE A 88 -15.561 19.223 0.016 1.00 61.24 H new ATOM 0 HG23 ILE A 88 -15.229 20.383 1.325 1.00 61.24 H new ATOM 0 HD11 ILE A 88 -15.417 24.087 1.433 1.00 33.41 H new ATOM 0 HD12 ILE A 88 -15.247 22.388 1.933 1.00 33.41 H new ATOM 0 HD13 ILE A 88 -14.025 23.131 0.874 1.00 33.41 H new ATOM 1367 N ILE A 89 -12.375 19.442 -1.218 1.00 41.22 N ATOM 1368 CA ILE A 89 -11.904 18.128 -1.637 1.00 61.30 C ATOM 1369 C ILE A 89 -12.260 17.062 -0.606 1.00 63.01 C ATOM 1370 O ILE A 89 -12.027 17.237 0.590 1.00 23.02 O ATOM 1371 CB ILE A 89 -10.380 18.121 -1.860 1.00 63.24 C ATOM 1372 CG1 ILE A 89 -9.956 19.349 -2.669 1.00 44.51 C ATOM 1373 CG2 ILE A 89 -9.953 16.843 -2.566 1.00 60.23 C ATOM 1374 CD1 ILE A 89 -9.296 20.425 -1.834 1.00 35.21 C ATOM 0 H ILE A 89 -11.676 20.007 -0.737 1.00 41.22 H new ATOM 0 HA ILE A 89 -12.402 17.900 -2.579 1.00 61.30 H new ATOM 0 HB ILE A 89 -9.886 18.159 -0.889 1.00 63.24 H new ATOM 0 HG12 ILE A 89 -9.268 19.037 -3.454 1.00 44.51 H new ATOM 0 HG13 ILE A 89 -10.832 19.770 -3.162 1.00 44.51 H new ATOM 0 HG21 ILE A 89 -8.873 16.854 -2.716 1.00 60.23 H new ATOM 0 HG22 ILE A 89 -10.226 15.982 -1.956 1.00 60.23 H new ATOM 0 HG23 ILE A 89 -10.453 16.777 -3.532 1.00 60.23 H new ATOM 0 HD11 ILE A 89 -9.022 21.265 -2.473 1.00 35.21 H new ATOM 0 HD12 ILE A 89 -9.989 20.765 -1.065 1.00 35.21 H new ATOM 0 HD13 ILE A 89 -8.400 20.021 -1.362 1.00 35.21 H new ATOM 1386 N LYS A 90 -12.824 15.955 -1.078 1.00 41.50 N ATOM 1387 CA LYS A 90 -13.210 14.858 -0.199 1.00 22.05 C ATOM 1388 C LYS A 90 -12.707 13.524 -0.741 1.00 22.14 C ATOM 1389 O LYS A 90 -13.008 13.150 -1.875 1.00 11.45 O ATOM 1390 CB LYS A 90 -14.731 14.815 -0.040 1.00 60.10 C ATOM 1391 CG LYS A 90 -15.229 13.603 0.730 1.00 42.53 C ATOM 1392 CD LYS A 90 -16.747 13.553 0.768 1.00 74.41 C ATOM 1393 CE LYS A 90 -17.244 12.350 1.556 1.00 21.21 C ATOM 1394 NZ LYS A 90 -18.621 11.952 1.150 1.00 64.04 N ATOM 0 H LYS A 90 -13.024 15.794 -2.065 1.00 41.50 H new ATOM 0 HA LYS A 90 -12.754 15.029 0.776 1.00 22.05 H new ATOM 0 HB2 LYS A 90 -15.060 15.720 0.471 1.00 60.10 H new ATOM 0 HB3 LYS A 90 -15.191 14.822 -1.028 1.00 60.10 H new ATOM 0 HG2 LYS A 90 -14.845 12.694 0.267 1.00 42.53 H new ATOM 0 HG3 LYS A 90 -14.839 13.632 1.748 1.00 42.53 H new ATOM 0 HD2 LYS A 90 -17.131 14.468 1.218 1.00 74.41 H new ATOM 0 HD3 LYS A 90 -17.137 13.510 -0.249 1.00 74.41 H new ATOM 0 HE2 LYS A 90 -16.564 11.511 1.406 1.00 21.21 H new ATOM 0 HE3 LYS A 90 -17.232 12.583 2.621 1.00 21.21 H new ATOM 0 HZ1 LYS A 90 -18.924 11.129 1.709 1.00 64.04 H new ATOM 0 HZ2 LYS A 90 -19.275 12.744 1.317 1.00 64.04 H new ATOM 0 HZ3 LYS A 90 -18.627 11.705 0.140 1.00 64.04 H new ATOM 1408 N ARG A 91 -11.940 12.810 0.077 1.00 21.13 N ATOM 1409 CA ARG A 91 -11.396 11.517 -0.321 1.00 40.44 C ATOM 1410 C ARG A 91 -12.508 10.486 -0.484 1.00 72.03 C ATOM 1411 O ARG A 91 -13.494 10.499 0.253 1.00 61.11 O ATOM 1412 CB ARG A 91 -10.379 11.028 0.712 1.00 22.23 C ATOM 1413 CG ARG A 91 -9.473 9.922 0.199 1.00 61.04 C ATOM 1414 CD ARG A 91 -8.064 10.052 0.757 1.00 62.24 C ATOM 1415 NE ARG A 91 -7.430 8.751 0.951 1.00 1.15 N ATOM 1416 CZ ARG A 91 -6.269 8.584 1.576 1.00 52.43 C ATOM 1417 NH1 ARG A 91 -5.620 9.633 2.064 1.00 63.40 N ATOM 1418 NH2 ARG A 91 -5.756 7.369 1.713 1.00 53.10 N ATOM 0 H ARG A 91 -11.682 13.105 1.019 1.00 21.13 H new ATOM 0 HA ARG A 91 -10.896 11.641 -1.282 1.00 40.44 H new ATOM 0 HB2 ARG A 91 -9.765 11.870 1.031 1.00 22.23 H new ATOM 0 HB3 ARG A 91 -10.912 10.670 1.593 1.00 22.23 H new ATOM 0 HG2 ARG A 91 -9.887 8.953 0.476 1.00 61.04 H new ATOM 0 HG3 ARG A 91 -9.439 9.954 -0.890 1.00 61.04 H new ATOM 0 HD2 ARG A 91 -7.459 10.652 0.078 1.00 62.24 H new ATOM 0 HD3 ARG A 91 -8.098 10.584 1.708 1.00 62.24 H new ATOM 0 HE ARG A 91 -7.904 7.925 0.587 1.00 1.15 H new ATOM 0 HH11 ARG A 91 -6.012 10.569 1.960 1.00 63.40 H new ATOM 0 HH12 ARG A 91 -4.729 9.504 2.543 1.00 63.40 H new ATOM 0 HH21 ARG A 91 -6.252 6.561 1.338 1.00 53.10 H new ATOM 0 HH22 ARG A 91 -4.865 7.243 2.193 1.00 53.10 H new ATOM 1432 N PHE A 92 -12.343 9.594 -1.455 1.00 61.41 N ATOM 1433 CA PHE A 92 -13.334 8.556 -1.716 1.00 62.30 C ATOM 1434 C PHE A 92 -12.688 7.173 -1.708 1.00 4.45 C ATOM 1435 O PHE A 92 -13.299 6.193 -1.284 1.00 14.34 O ATOM 1436 CB PHE A 92 -14.019 8.803 -3.061 1.00 60.11 C ATOM 1437 CG PHE A 92 -15.254 9.650 -2.958 1.00 15.44 C ATOM 1438 CD1 PHE A 92 -15.195 10.922 -2.410 1.00 24.41 C ATOM 1439 CD2 PHE A 92 -16.476 9.176 -3.409 1.00 14.44 C ATOM 1440 CE1 PHE A 92 -16.330 11.703 -2.313 1.00 40.41 C ATOM 1441 CE2 PHE A 92 -17.615 9.955 -3.315 1.00 32.23 C ATOM 1442 CZ PHE A 92 -17.541 11.220 -2.767 1.00 51.42 C ATOM 0 H PHE A 92 -11.533 9.569 -2.074 1.00 61.41 H new ATOM 0 HA PHE A 92 -14.081 8.594 -0.923 1.00 62.30 H new ATOM 0 HB2 PHE A 92 -13.312 9.286 -3.736 1.00 60.11 H new ATOM 0 HB3 PHE A 92 -14.282 7.844 -3.507 1.00 60.11 H new ATOM 0 HD1 PHE A 92 -14.250 11.307 -2.055 1.00 24.41 H new ATOM 0 HD2 PHE A 92 -16.539 8.187 -3.839 1.00 14.44 H new ATOM 0 HE1 PHE A 92 -16.270 12.691 -1.882 1.00 40.41 H new ATOM 0 HE2 PHE A 92 -18.561 9.574 -3.670 1.00 32.23 H new ATOM 0 HZ PHE A 92 -18.429 11.831 -2.694 1.00 51.42 H new ATOM 1452 N GLY A 93 -11.447 7.103 -2.180 1.00 62.04 N ATOM 1453 CA GLY A 93 -10.738 5.837 -2.219 1.00 15.13 C ATOM 1454 C GLY A 93 -11.554 4.736 -2.867 1.00 33.33 C ATOM 1455 O GLY A 93 -11.069 3.620 -3.049 1.00 61.01 O ATOM 0 H GLY A 93 -10.920 7.900 -2.536 1.00 62.04 H new ATOM 0 HA2 GLY A 93 -9.804 5.964 -2.767 1.00 15.13 H new ATOM 0 HA3 GLY A 93 -10.474 5.540 -1.204 1.00 15.13 H new TER 1459 GLY A 93