USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 785 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 41 MET CE :methyl -155:sc= -1.59 (180deg=-2.39!) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 15 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 27 MET CE :methyl 174:sc= 0 (180deg=-0.0819) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0259 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00514 K(o=-0.0051,f=-0.51) USER MOD Single : A 10 LYS NZ :NH3+ 169:sc=-0.00295 (180deg=-0.124) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -139:sc= 0.682 (180deg=0.325) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= -0.0469 (180deg=-0.247) USER MOD Single : A 22 ASN : amide:sc= -0.0838 X(o=-0.084,f=-0.25) USER MOD Single : A 23 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.53) USER MOD Single : A 32 TYR OH : rot 29:sc= 0.00484 USER MOD Single : A 33 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.044) USER MOD Single : A 38 LYS NZ :NH3+ -104:sc= 0.169 (180deg=-0.529) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ -118:sc= 0.624 (180deg=0.122) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.113) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -103:sc= 1.39 USER MOD Single : A 75 SER OG : rot 66:sc= 1.03 USER MOD Single : A 78 TYR OH : rot 180:sc=-0.00728 USER MOD Single : A 79 GLN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= -0.0114 (180deg=-0.0772) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -163:sc= -0.0555 (180deg=-0.318) USER MOD Single : A 92 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.48) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 170:sc= -0.0566 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.531 -16.805 8.366 1.00 53.01 N ATOM 2 CA GLY A 1 -12.563 -15.460 9.000 1.00 44.32 C ATOM 3 C GLY A 1 -12.261 -14.338 8.009 1.00 61.34 C ATOM 4 O GLY A 1 -12.491 -14.496 6.799 1.00 44.02 O ATOM 0 H1 GLY A 1 -13.425 -17.301 8.558 1.00 53.01 H new ATOM 0 H2 GLY A 1 -12.406 -16.702 7.339 1.00 53.01 H new ATOM 0 H3 GLY A 1 -11.740 -17.355 8.758 1.00 53.01 H new ATOM 0 HA2 GLY A 1 -13.545 -15.294 9.443 1.00 44.32 H new ATOM 0 HA3 GLY A 1 -11.837 -15.428 9.812 1.00 44.32 H new ATOM 10 N GLY A 2 -11.739 -13.205 8.529 1.00 0.22 N ATOM 11 CA GLY A 2 -11.392 -12.037 7.716 1.00 3.12 C ATOM 12 C GLY A 2 -10.181 -12.288 6.817 1.00 42.11 C ATOM 13 O GLY A 2 -9.055 -11.906 7.157 1.00 40.21 O ATOM 0 H GLY A 2 -11.550 -13.083 9.524 1.00 0.22 H new ATOM 0 HA2 GLY A 2 -12.247 -11.761 7.099 1.00 3.12 H new ATOM 0 HA3 GLY A 2 -11.185 -11.191 8.371 1.00 3.12 H new ATOM 17 N SER A 3 -10.436 -12.931 5.664 1.00 44.41 N ATOM 18 CA SER A 3 -9.404 -13.340 4.701 1.00 41.45 C ATOM 19 C SER A 3 -8.818 -12.110 3.962 1.00 24.32 C ATOM 20 O SER A 3 -9.568 -11.172 3.672 1.00 74.51 O ATOM 21 CB SER A 3 -10.015 -14.335 3.685 1.00 31.32 C ATOM 22 OG SER A 3 -10.647 -15.422 4.345 1.00 60.44 O ATOM 0 H SER A 3 -11.380 -13.184 5.373 1.00 44.41 H new ATOM 0 HA SER A 3 -8.591 -13.825 5.241 1.00 41.45 H new ATOM 0 HB2 SER A 3 -10.740 -13.817 3.056 1.00 31.32 H new ATOM 0 HB3 SER A 3 -9.233 -14.712 3.026 1.00 31.32 H new ATOM 0 HG SER A 3 -11.025 -16.034 3.679 1.00 60.44 H new ATOM 28 N PRO A 4 -7.475 -12.104 3.659 1.00 22.44 N ATOM 29 CA PRO A 4 -6.780 -10.988 2.954 1.00 32.04 C ATOM 30 C PRO A 4 -7.482 -10.491 1.677 1.00 23.10 C ATOM 31 O PRO A 4 -7.541 -9.285 1.435 1.00 32.24 O ATOM 32 CB PRO A 4 -5.387 -11.584 2.624 1.00 54.22 C ATOM 33 CG PRO A 4 -5.488 -13.053 2.935 1.00 75.22 C ATOM 34 CD PRO A 4 -6.502 -13.161 4.032 1.00 24.12 C ATOM 0 HA PRO A 4 -6.754 -10.097 3.581 1.00 32.04 H new ATOM 0 HB2 PRO A 4 -5.130 -11.422 1.577 1.00 54.22 H new ATOM 0 HB3 PRO A 4 -4.607 -11.110 3.220 1.00 54.22 H new ATOM 0 HG2 PRO A 4 -5.798 -13.620 2.057 1.00 75.22 H new ATOM 0 HG3 PRO A 4 -4.525 -13.455 3.250 1.00 75.22 H new ATOM 0 HD2 PRO A 4 -6.964 -14.148 4.065 1.00 24.12 H new ATOM 0 HD3 PRO A 4 -6.062 -12.983 5.013 1.00 24.12 H new ATOM 42 N ASP A 5 -8.009 -11.439 0.887 1.00 63.14 N ATOM 43 CA ASP A 5 -8.764 -11.143 -0.345 1.00 71.51 C ATOM 44 C ASP A 5 -9.984 -10.244 -0.046 1.00 74.42 C ATOM 45 O ASP A 5 -10.219 -9.238 -0.722 1.00 45.23 O ATOM 46 CB ASP A 5 -9.215 -12.468 -1.008 1.00 14.32 C ATOM 47 CG ASP A 5 -10.066 -12.263 -2.274 1.00 53.42 C ATOM 48 OD1 ASP A 5 -9.489 -11.988 -3.349 1.00 60.25 O ATOM 49 OD2 ASP A 5 -11.314 -12.345 -2.196 1.00 12.13 O ATOM 0 H ASP A 5 -7.924 -12.436 1.083 1.00 63.14 H new ATOM 0 HA ASP A 5 -8.114 -10.601 -1.032 1.00 71.51 H new ATOM 0 HB2 ASP A 5 -8.333 -13.055 -1.264 1.00 14.32 H new ATOM 0 HB3 ASP A 5 -9.787 -13.050 -0.286 1.00 14.32 H new ATOM 54 N GLU A 6 -10.719 -10.622 1.002 1.00 31.13 N ATOM 55 CA GLU A 6 -11.927 -9.919 1.456 1.00 4.34 C ATOM 56 C GLU A 6 -11.525 -8.538 2.044 1.00 11.12 C ATOM 57 O GLU A 6 -12.244 -7.541 1.880 1.00 25.25 O ATOM 58 CB GLU A 6 -12.667 -10.821 2.505 1.00 4.43 C ATOM 59 CG GLU A 6 -14.211 -10.729 2.513 1.00 20.43 C ATOM 60 CD GLU A 6 -14.766 -9.350 2.901 1.00 24.20 C ATOM 61 OE1 GLU A 6 -14.426 -8.850 3.986 1.00 31.42 O ATOM 62 OE2 GLU A 6 -15.545 -8.755 2.130 1.00 33.41 O ATOM 0 H GLU A 6 -10.490 -11.438 1.570 1.00 31.13 H new ATOM 0 HA GLU A 6 -12.611 -9.734 0.627 1.00 4.34 H new ATOM 0 HB2 GLU A 6 -12.386 -11.859 2.324 1.00 4.43 H new ATOM 0 HB3 GLU A 6 -12.303 -10.561 3.499 1.00 4.43 H new ATOM 0 HG2 GLU A 6 -14.583 -10.990 1.522 1.00 20.43 H new ATOM 0 HG3 GLU A 6 -14.603 -11.473 3.207 1.00 20.43 H new ATOM 69 N ASN A 7 -10.339 -8.507 2.698 1.00 42.34 N ATOM 70 CA ASN A 7 -9.774 -7.296 3.329 1.00 35.41 C ATOM 71 C ASN A 7 -9.345 -6.263 2.279 1.00 21.43 C ATOM 72 O ASN A 7 -9.414 -5.066 2.548 1.00 73.14 O ATOM 73 CB ASN A 7 -8.563 -7.654 4.228 1.00 21.11 C ATOM 74 CG ASN A 7 -8.919 -8.574 5.399 1.00 20.13 C ATOM 75 OD1 ASN A 7 -10.037 -8.551 5.916 1.00 44.50 O ATOM 76 ND2 ASN A 7 -7.963 -9.370 5.846 1.00 33.43 N ATOM 0 H ASN A 7 -9.745 -9.330 2.802 1.00 42.34 H new ATOM 0 HA ASN A 7 -10.560 -6.859 3.945 1.00 35.41 H new ATOM 0 HB2 ASN A 7 -7.798 -8.135 3.618 1.00 21.11 H new ATOM 0 HB3 ASN A 7 -8.127 -6.735 4.619 1.00 21.11 H new ATOM 0 HD21 ASN A 7 -8.142 -9.986 6.639 1.00 33.43 H new ATOM 0 HD22 ASN A 7 -7.047 -9.368 5.398 1.00 33.43 H new ATOM 83 N ILE A 8 -8.908 -6.739 1.088 1.00 71.54 N ATOM 84 CA ILE A 8 -8.527 -5.871 -0.052 1.00 43.11 C ATOM 85 C ILE A 8 -9.668 -4.883 -0.357 1.00 73.13 C ATOM 86 O ILE A 8 -9.453 -3.676 -0.357 1.00 63.52 O ATOM 87 CB ILE A 8 -8.172 -6.736 -1.335 1.00 13.21 C ATOM 88 CG1 ILE A 8 -6.848 -7.537 -1.113 1.00 70.23 C ATOM 89 CG2 ILE A 8 -8.094 -5.883 -2.629 1.00 64.11 C ATOM 90 CD1 ILE A 8 -6.548 -8.603 -2.158 1.00 54.52 C ATOM 0 H ILE A 8 -8.810 -7.735 0.891 1.00 71.54 H new ATOM 0 HA ILE A 8 -7.635 -5.308 0.221 1.00 43.11 H new ATOM 0 HB ILE A 8 -8.990 -7.443 -1.476 1.00 13.21 H new ATOM 0 HG12 ILE A 8 -6.017 -6.832 -1.088 1.00 70.23 H new ATOM 0 HG13 ILE A 8 -6.891 -8.014 -0.134 1.00 70.23 H new ATOM 0 HG21 ILE A 8 -7.848 -6.526 -3.474 1.00 64.11 H new ATOM 0 HG22 ILE A 8 -9.056 -5.402 -2.806 1.00 64.11 H new ATOM 0 HG23 ILE A 8 -7.323 -5.121 -2.517 1.00 64.11 H new ATOM 0 HD11 ILE A 8 -5.609 -9.099 -1.912 1.00 54.52 H new ATOM 0 HD12 ILE A 8 -7.354 -9.337 -2.171 1.00 54.52 H new ATOM 0 HD13 ILE A 8 -6.466 -8.137 -3.140 1.00 54.52 H new ATOM 102 N ALA A 9 -10.897 -5.426 -0.509 1.00 51.32 N ATOM 103 CA ALA A 9 -12.107 -4.635 -0.800 1.00 32.25 C ATOM 104 C ALA A 9 -12.469 -3.679 0.359 1.00 34.32 C ATOM 105 O ALA A 9 -12.957 -2.573 0.118 1.00 24.00 O ATOM 106 CB ALA A 9 -13.277 -5.571 -1.132 1.00 31.13 C ATOM 0 H ALA A 9 -11.075 -6.428 -0.433 1.00 51.32 H new ATOM 0 HA ALA A 9 -11.898 -4.009 -1.667 1.00 32.25 H new ATOM 0 HB1 ALA A 9 -14.167 -4.979 -1.346 1.00 31.13 H new ATOM 0 HB2 ALA A 9 -13.024 -6.174 -2.004 1.00 31.13 H new ATOM 0 HB3 ALA A 9 -13.472 -6.225 -0.282 1.00 31.13 H new ATOM 112 N LYS A 10 -12.202 -4.119 1.612 1.00 51.11 N ATOM 113 CA LYS A 10 -12.434 -3.304 2.830 1.00 3.04 C ATOM 114 C LYS A 10 -11.511 -2.073 2.832 1.00 54.44 C ATOM 115 O LYS A 10 -11.931 -0.963 3.183 1.00 51.33 O ATOM 116 CB LYS A 10 -12.191 -4.160 4.112 1.00 54.24 C ATOM 117 CG LYS A 10 -12.445 -3.423 5.458 1.00 12.31 C ATOM 118 CD LYS A 10 -13.937 -3.085 5.693 1.00 23.25 C ATOM 119 CE LYS A 10 -14.164 -2.208 6.936 1.00 13.32 C ATOM 120 NZ LYS A 10 -13.568 -0.849 6.764 1.00 52.31 N ATOM 0 H LYS A 10 -11.821 -5.045 1.807 1.00 51.11 H new ATOM 0 HA LYS A 10 -13.470 -2.966 2.828 1.00 3.04 H new ATOM 0 HB2 LYS A 10 -12.835 -5.039 4.070 1.00 54.24 H new ATOM 0 HB3 LYS A 10 -11.162 -4.518 4.101 1.00 54.24 H new ATOM 0 HG2 LYS A 10 -12.086 -4.044 6.279 1.00 12.31 H new ATOM 0 HG3 LYS A 10 -11.863 -2.502 5.476 1.00 12.31 H new ATOM 0 HD2 LYS A 10 -14.330 -2.572 4.816 1.00 23.25 H new ATOM 0 HD3 LYS A 10 -14.502 -4.011 5.800 1.00 23.25 H new ATOM 0 HE2 LYS A 10 -15.233 -2.116 7.127 1.00 13.32 H new ATOM 0 HE3 LYS A 10 -13.725 -2.691 7.809 1.00 13.32 H new ATOM 0 HZ1 LYS A 10 -13.895 -0.227 7.531 1.00 52.31 H new ATOM 0 HZ2 LYS A 10 -12.531 -0.919 6.793 1.00 52.31 H new ATOM 0 HZ3 LYS A 10 -13.863 -0.454 5.848 1.00 52.31 H new ATOM 134 N PHE A 11 -10.252 -2.299 2.419 1.00 15.23 N ATOM 135 CA PHE A 11 -9.225 -1.253 2.336 1.00 61.11 C ATOM 136 C PHE A 11 -9.432 -0.370 1.092 1.00 14.43 C ATOM 137 O PHE A 11 -8.967 0.765 1.070 1.00 52.33 O ATOM 138 CB PHE A 11 -7.795 -1.861 2.353 1.00 45.31 C ATOM 139 CG PHE A 11 -7.421 -2.573 3.656 1.00 23.33 C ATOM 140 CD1 PHE A 11 -7.611 -1.943 4.886 1.00 63.42 C ATOM 141 CD2 PHE A 11 -6.869 -3.861 3.654 1.00 25.35 C ATOM 142 CE1 PHE A 11 -7.269 -2.575 6.066 1.00 53.31 C ATOM 143 CE2 PHE A 11 -6.528 -4.489 4.838 1.00 61.14 C ATOM 144 CZ PHE A 11 -6.726 -3.845 6.042 1.00 51.12 C ATOM 0 H PHE A 11 -9.919 -3.219 2.132 1.00 15.23 H new ATOM 0 HA PHE A 11 -9.328 -0.621 3.218 1.00 61.11 H new ATOM 0 HB2 PHE A 11 -7.705 -2.569 1.529 1.00 45.31 H new ATOM 0 HB3 PHE A 11 -7.074 -1.065 2.169 1.00 45.31 H new ATOM 0 HD1 PHE A 11 -8.031 -0.948 4.916 1.00 63.42 H new ATOM 0 HD2 PHE A 11 -6.708 -4.370 2.715 1.00 25.35 H new ATOM 0 HE1 PHE A 11 -7.427 -2.075 7.010 1.00 53.31 H new ATOM 0 HE2 PHE A 11 -6.107 -5.483 4.820 1.00 61.14 H new ATOM 0 HZ PHE A 11 -6.456 -4.334 6.966 1.00 51.12 H new ATOM 154 N GLU A 12 -10.090 -0.918 0.047 1.00 2.32 N ATOM 155 CA GLU A 12 -10.475 -0.148 -1.157 1.00 60.34 C ATOM 156 C GLU A 12 -11.645 0.806 -0.843 1.00 11.11 C ATOM 157 O GLU A 12 -11.739 1.894 -1.423 1.00 31.11 O ATOM 158 CB GLU A 12 -10.835 -1.092 -2.336 1.00 61.52 C ATOM 159 CG GLU A 12 -9.633 -1.884 -2.889 1.00 13.14 C ATOM 160 CD GLU A 12 -9.987 -2.803 -4.065 1.00 1.31 C ATOM 161 OE1 GLU A 12 -10.610 -3.861 -3.833 1.00 63.21 O ATOM 162 OE2 GLU A 12 -9.679 -2.460 -5.228 1.00 21.10 O ATOM 0 H GLU A 12 -10.368 -1.899 0.013 1.00 2.32 H new ATOM 0 HA GLU A 12 -9.616 0.451 -1.460 1.00 60.34 H new ATOM 0 HB2 GLU A 12 -11.600 -1.795 -2.006 1.00 61.52 H new ATOM 0 HB3 GLU A 12 -11.271 -0.501 -3.142 1.00 61.52 H new ATOM 0 HG2 GLU A 12 -8.862 -1.182 -3.208 1.00 13.14 H new ATOM 0 HG3 GLU A 12 -9.205 -2.485 -2.086 1.00 13.14 H new ATOM 169 N LYS A 13 -12.522 0.390 0.085 1.00 34.23 N ATOM 170 CA LYS A 13 -13.633 1.229 0.579 1.00 74.12 C ATOM 171 C LYS A 13 -13.088 2.294 1.551 1.00 41.04 C ATOM 172 O LYS A 13 -13.572 3.431 1.572 1.00 4.05 O ATOM 173 CB LYS A 13 -14.742 0.343 1.248 1.00 53.02 C ATOM 174 CG LYS A 13 -16.140 0.438 0.584 1.00 1.00 C ATOM 175 CD LYS A 13 -16.149 -0.025 -0.894 1.00 24.01 C ATOM 176 CE LYS A 13 -15.787 -1.507 -1.062 1.00 23.33 C ATOM 177 NZ LYS A 13 -15.829 -1.932 -2.484 1.00 73.14 N ATOM 0 H LYS A 13 -12.484 -0.534 0.515 1.00 34.23 H new ATOM 0 HA LYS A 13 -14.098 1.743 -0.262 1.00 74.12 H new ATOM 0 HB2 LYS A 13 -14.416 -0.697 1.229 1.00 53.02 H new ATOM 0 HB3 LYS A 13 -14.833 0.630 2.296 1.00 53.02 H new ATOM 0 HG2 LYS A 13 -16.846 -0.168 1.152 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -16.490 1.469 0.637 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -17.137 0.152 -1.318 1.00 24.01 H new ATOM 0 HD3 LYS A 13 -15.445 0.582 -1.463 1.00 24.01 H new ATOM 0 HE2 LYS A 13 -14.790 -1.684 -0.660 1.00 23.33 H new ATOM 0 HE3 LYS A 13 -16.478 -2.117 -0.481 1.00 23.33 H new ATOM 0 HZ1 LYS A 13 -15.578 -2.939 -2.553 1.00 73.14 H new ATOM 0 HZ2 LYS A 13 -16.787 -1.787 -2.861 1.00 73.14 H new ATOM 0 HZ3 LYS A 13 -15.151 -1.368 -3.035 1.00 73.14 H new ATOM 191 N ALA A 14 -12.066 1.902 2.342 1.00 75.45 N ATOM 192 CA ALA A 14 -11.320 2.820 3.219 1.00 44.40 C ATOM 193 C ALA A 14 -10.469 3.788 2.377 1.00 51.14 C ATOM 194 O ALA A 14 -10.202 4.920 2.796 1.00 4.13 O ATOM 195 CB ALA A 14 -10.429 2.022 4.190 1.00 20.12 C ATOM 0 H ALA A 14 -11.737 0.938 2.388 1.00 75.45 H new ATOM 0 HA ALA A 14 -12.032 3.404 3.803 1.00 44.40 H new ATOM 0 HB1 ALA A 14 -9.883 2.712 4.833 1.00 20.12 H new ATOM 0 HB2 ALA A 14 -11.052 1.370 4.803 1.00 20.12 H new ATOM 0 HB3 ALA A 14 -9.721 1.418 3.622 1.00 20.12 H new ATOM 201 N TYR A 15 -10.048 3.312 1.180 1.00 21.45 N ATOM 202 CA TYR A 15 -9.266 4.098 0.217 1.00 72.13 C ATOM 203 C TYR A 15 -10.132 5.195 -0.399 1.00 20.12 C ATOM 204 O TYR A 15 -9.682 6.331 -0.551 1.00 31.32 O ATOM 205 CB TYR A 15 -8.685 3.192 -0.909 1.00 53.44 C ATOM 206 CG TYR A 15 -7.909 3.968 -1.985 1.00 3.31 C ATOM 207 CD1 TYR A 15 -6.695 4.576 -1.669 1.00 24.34 C ATOM 208 CD2 TYR A 15 -8.411 4.136 -3.279 1.00 62.45 C ATOM 209 CE1 TYR A 15 -6.005 5.309 -2.597 1.00 74.32 C ATOM 210 CE2 TYR A 15 -7.719 4.883 -4.212 1.00 50.10 C ATOM 211 CZ TYR A 15 -6.514 5.467 -3.861 1.00 40.34 C ATOM 212 OH TYR A 15 -5.823 6.223 -4.777 1.00 22.14 O ATOM 0 H TYR A 15 -10.247 2.364 0.861 1.00 21.45 H new ATOM 0 HA TYR A 15 -8.435 4.554 0.755 1.00 72.13 H new ATOM 0 HB2 TYR A 15 -8.025 2.449 -0.462 1.00 53.44 H new ATOM 0 HB3 TYR A 15 -9.502 2.648 -1.383 1.00 53.44 H new ATOM 0 HD1 TYR A 15 -6.291 4.467 -0.673 1.00 24.34 H new ATOM 0 HD2 TYR A 15 -9.350 3.677 -3.552 1.00 62.45 H new ATOM 0 HE1 TYR A 15 -5.061 5.762 -2.334 1.00 74.32 H new ATOM 0 HE2 TYR A 15 -8.115 5.011 -5.209 1.00 50.10 H new ATOM 0 HH TYR A 15 -6.313 6.238 -5.625 1.00 22.14 H new ATOM 222 N LYS A 16 -11.366 4.826 -0.774 1.00 12.25 N ATOM 223 CA LYS A 16 -12.316 5.759 -1.398 1.00 73.14 C ATOM 224 C LYS A 16 -12.868 6.753 -0.372 1.00 74.31 C ATOM 225 O LYS A 16 -13.143 7.908 -0.719 1.00 43.44 O ATOM 226 CB LYS A 16 -13.451 4.984 -2.121 1.00 44.05 C ATOM 227 CG LYS A 16 -12.972 4.207 -3.372 1.00 10.43 C ATOM 228 CD LYS A 16 -12.328 5.138 -4.434 1.00 33.34 C ATOM 229 CE LYS A 16 -11.808 4.394 -5.672 1.00 43.40 C ATOM 230 NZ LYS A 16 -11.152 5.324 -6.635 1.00 15.44 N ATOM 0 H LYS A 16 -11.731 3.881 -0.655 1.00 12.25 H new ATOM 0 HA LYS A 16 -11.783 6.339 -2.151 1.00 73.14 H new ATOM 0 HB2 LYS A 16 -13.905 4.283 -1.420 1.00 44.05 H new ATOM 0 HB3 LYS A 16 -14.229 5.688 -2.417 1.00 44.05 H new ATOM 0 HG2 LYS A 16 -12.249 3.449 -3.071 1.00 10.43 H new ATOM 0 HG3 LYS A 16 -13.818 3.683 -3.817 1.00 10.43 H new ATOM 0 HD2 LYS A 16 -13.063 5.879 -4.748 1.00 33.34 H new ATOM 0 HD3 LYS A 16 -11.503 5.682 -3.975 1.00 33.34 H new ATOM 0 HE2 LYS A 16 -11.097 3.627 -5.364 1.00 43.40 H new ATOM 0 HE3 LYS A 16 -12.635 3.883 -6.165 1.00 43.40 H new ATOM 0 HZ1 LYS A 16 -11.423 5.067 -7.606 1.00 15.44 H new ATOM 0 HZ2 LYS A 16 -11.456 6.299 -6.438 1.00 15.44 H new ATOM 0 HZ3 LYS A 16 -10.119 5.256 -6.534 1.00 15.44 H new ATOM 244 N LYS A 17 -12.993 6.312 0.893 1.00 22.53 N ATOM 245 CA LYS A 17 -13.378 7.194 2.007 1.00 22.14 C ATOM 246 C LYS A 17 -12.230 8.180 2.323 1.00 45.02 C ATOM 247 O LYS A 17 -12.463 9.298 2.769 1.00 63.53 O ATOM 248 CB LYS A 17 -13.778 6.362 3.255 1.00 32.13 C ATOM 249 CG LYS A 17 -14.405 7.198 4.400 1.00 54.52 C ATOM 250 CD LYS A 17 -15.024 6.324 5.514 1.00 2.03 C ATOM 251 CE LYS A 17 -15.682 7.163 6.619 1.00 12.43 C ATOM 252 NZ LYS A 17 -16.734 8.070 6.081 1.00 43.10 N ATOM 0 H LYS A 17 -12.831 5.343 1.169 1.00 22.53 H new ATOM 0 HA LYS A 17 -14.251 7.776 1.713 1.00 22.14 H new ATOM 0 HB2 LYS A 17 -14.487 5.591 2.952 1.00 32.13 H new ATOM 0 HB3 LYS A 17 -12.894 5.850 3.636 1.00 32.13 H new ATOM 0 HG2 LYS A 17 -13.640 7.842 4.834 1.00 54.52 H new ATOM 0 HG3 LYS A 17 -15.175 7.850 3.987 1.00 54.52 H new ATOM 0 HD2 LYS A 17 -15.767 5.656 5.078 1.00 2.03 H new ATOM 0 HD3 LYS A 17 -14.249 5.695 5.952 1.00 2.03 H new ATOM 0 HE2 LYS A 17 -16.122 6.500 7.364 1.00 12.43 H new ATOM 0 HE3 LYS A 17 -14.920 7.754 7.128 1.00 12.43 H new ATOM 0 HZ1 LYS A 17 -17.299 8.451 6.867 1.00 43.10 H new ATOM 0 HZ2 LYS A 17 -16.286 8.854 5.565 1.00 43.10 H new ATOM 0 HZ3 LYS A 17 -17.353 7.539 5.435 1.00 43.10 H new ATOM 266 N ALA A 18 -10.987 7.742 2.062 1.00 72.32 N ATOM 267 CA ALA A 18 -9.789 8.596 2.142 1.00 3.41 C ATOM 268 C ALA A 18 -9.704 9.547 0.916 1.00 53.41 C ATOM 269 O ALA A 18 -9.238 10.688 1.029 1.00 24.34 O ATOM 270 CB ALA A 18 -8.549 7.702 2.209 1.00 2.24 C ATOM 0 H ALA A 18 -10.784 6.781 1.788 1.00 72.32 H new ATOM 0 HA ALA A 18 -9.847 9.214 3.038 1.00 3.41 H new ATOM 0 HB1 ALA A 18 -7.655 8.323 2.269 1.00 2.24 H new ATOM 0 HB2 ALA A 18 -8.607 7.065 3.091 1.00 2.24 H new ATOM 0 HB3 ALA A 18 -8.500 7.080 1.315 1.00 2.24 H new ATOM 276 N GLU A 19 -10.171 9.042 -0.251 1.00 31.25 N ATOM 277 CA GLU A 19 -10.052 9.718 -1.570 1.00 24.03 C ATOM 278 C GLU A 19 -11.054 10.878 -1.699 1.00 20.15 C ATOM 279 O GLU A 19 -10.741 11.900 -2.321 1.00 54.51 O ATOM 280 CB GLU A 19 -10.242 8.691 -2.727 1.00 34.53 C ATOM 281 CG GLU A 19 -10.022 9.259 -4.152 1.00 23.34 C ATOM 282 CD GLU A 19 -10.202 8.213 -5.267 1.00 2.20 C ATOM 283 OE1 GLU A 19 -9.273 7.422 -5.512 1.00 5.43 O ATOM 284 OE2 GLU A 19 -11.285 8.155 -5.882 1.00 24.12 O ATOM 0 H GLU A 19 -10.648 8.142 -0.306 1.00 31.25 H new ATOM 0 HA GLU A 19 -9.050 10.140 -1.642 1.00 24.03 H new ATOM 0 HB2 GLU A 19 -9.552 7.861 -2.573 1.00 34.53 H new ATOM 0 HB3 GLU A 19 -11.251 8.282 -2.667 1.00 34.53 H new ATOM 0 HG2 GLU A 19 -10.720 10.079 -4.319 1.00 23.34 H new ATOM 0 HG3 GLU A 19 -9.017 9.677 -4.216 1.00 23.34 H new ATOM 291 N GLU A 20 -12.247 10.729 -1.090 1.00 73.14 N ATOM 292 CA GLU A 20 -13.271 11.804 -1.072 1.00 3.24 C ATOM 293 C GLU A 20 -12.790 12.986 -0.204 1.00 13.34 C ATOM 294 O GLU A 20 -13.129 14.147 -0.460 1.00 2.32 O ATOM 295 CB GLU A 20 -14.623 11.265 -0.544 1.00 62.43 C ATOM 296 CG GLU A 20 -14.585 10.807 0.925 1.00 53.43 C ATOM 297 CD GLU A 20 -15.936 10.333 1.455 1.00 1.32 C ATOM 298 OE1 GLU A 20 -16.723 11.168 1.940 1.00 13.23 O ATOM 299 OE2 GLU A 20 -16.226 9.125 1.378 1.00 52.00 O ATOM 0 H GLU A 20 -12.529 9.878 -0.604 1.00 73.14 H new ATOM 0 HA GLU A 20 -13.418 12.155 -2.093 1.00 3.24 H new ATOM 0 HB2 GLU A 20 -15.379 12.043 -0.652 1.00 62.43 H new ATOM 0 HB3 GLU A 20 -14.936 10.427 -1.167 1.00 62.43 H new ATOM 0 HG2 GLU A 20 -13.861 9.998 1.026 1.00 53.43 H new ATOM 0 HG3 GLU A 20 -14.230 11.631 1.544 1.00 53.43 H new ATOM 306 N LEU A 21 -12.003 12.650 0.833 1.00 20.43 N ATOM 307 CA LEU A 21 -11.344 13.632 1.705 1.00 31.34 C ATOM 308 C LEU A 21 -10.095 14.218 1.006 1.00 21.54 C ATOM 309 O LEU A 21 -9.569 15.255 1.431 1.00 35.41 O ATOM 310 CB LEU A 21 -10.933 12.932 3.026 1.00 34.21 C ATOM 311 CG LEU A 21 -12.087 12.348 3.897 1.00 44.31 C ATOM 312 CD1 LEU A 21 -11.526 11.478 5.042 1.00 10.23 C ATOM 313 CD2 LEU A 21 -13.007 13.467 4.430 1.00 24.34 C ATOM 0 H LEU A 21 -11.806 11.683 1.089 1.00 20.43 H new ATOM 0 HA LEU A 21 -12.033 14.449 1.918 1.00 31.34 H new ATOM 0 HB2 LEU A 21 -10.247 12.121 2.782 1.00 34.21 H new ATOM 0 HB3 LEU A 21 -10.378 13.648 3.632 1.00 34.21 H new ATOM 0 HG LEU A 21 -12.696 11.705 3.262 1.00 44.31 H new ATOM 0 HD11 LEU A 21 -12.350 11.082 5.635 1.00 10.23 H new ATOM 0 HD12 LEU A 21 -10.951 10.652 4.623 1.00 10.23 H new ATOM 0 HD13 LEU A 21 -10.880 12.085 5.677 1.00 10.23 H new ATOM 0 HD21 LEU A 21 -13.802 13.028 5.033 1.00 24.34 H new ATOM 0 HD22 LEU A 21 -12.425 14.156 5.042 1.00 24.34 H new ATOM 0 HD23 LEU A 21 -13.445 14.008 3.591 1.00 24.34 H new ATOM 325 N ASN A 22 -9.637 13.512 -0.060 1.00 24.22 N ATOM 326 CA ASN A 22 -8.462 13.881 -0.878 1.00 25.34 C ATOM 327 C ASN A 22 -7.168 13.876 -0.017 1.00 21.30 C ATOM 328 O ASN A 22 -6.161 14.501 -0.351 1.00 50.21 O ATOM 329 CB ASN A 22 -8.738 15.240 -1.606 1.00 34.13 C ATOM 330 CG ASN A 22 -7.704 15.606 -2.675 1.00 74.52 C ATOM 331 OD1 ASN A 22 -6.751 16.333 -2.410 1.00 0.03 O ATOM 332 ND2 ASN A 22 -7.874 15.089 -3.885 1.00 75.43 N ATOM 0 H ASN A 22 -10.087 12.653 -0.378 1.00 24.22 H new ATOM 0 HA ASN A 22 -8.294 13.136 -1.656 1.00 25.34 H new ATOM 0 HB2 ASN A 22 -9.723 15.196 -2.071 1.00 34.13 H new ATOM 0 HB3 ASN A 22 -8.772 16.036 -0.862 1.00 34.13 H new ATOM 0 HD21 ASN A 22 -7.203 15.292 -4.625 1.00 75.43 H new ATOM 0 HD22 ASN A 22 -8.676 14.488 -4.075 1.00 75.43 H new ATOM 339 N GLN A 23 -7.197 13.072 1.064 1.00 51.00 N ATOM 340 CA GLN A 23 -6.127 13.027 2.072 1.00 45.11 C ATOM 341 C GLN A 23 -5.197 11.859 1.761 1.00 31.45 C ATOM 342 O GLN A 23 -5.456 10.716 2.171 1.00 61.11 O ATOM 343 CB GLN A 23 -6.710 12.912 3.507 1.00 25.24 C ATOM 344 CG GLN A 23 -7.559 14.123 3.947 1.00 60.24 C ATOM 345 CD GLN A 23 -8.036 14.044 5.403 1.00 32.23 C ATOM 346 OE1 GLN A 23 -7.369 13.470 6.267 1.00 32.11 O ATOM 347 NE2 GLN A 23 -9.195 14.614 5.690 1.00 60.42 N ATOM 0 H GLN A 23 -7.968 12.434 1.261 1.00 51.00 H new ATOM 0 HA GLN A 23 -5.560 13.957 2.032 1.00 45.11 H new ATOM 0 HB2 GLN A 23 -7.323 12.013 3.566 1.00 25.24 H new ATOM 0 HB3 GLN A 23 -5.888 12.784 4.211 1.00 25.24 H new ATOM 0 HG2 GLN A 23 -6.974 15.033 3.814 1.00 60.24 H new ATOM 0 HG3 GLN A 23 -8.427 14.204 3.293 1.00 60.24 H new ATOM 0 HE21 GLN A 23 -9.728 15.083 4.958 1.00 60.42 H new ATOM 0 HE22 GLN A 23 -9.555 14.585 6.644 1.00 60.42 H new ATOM 356 N GLY A 24 -4.141 12.160 0.991 1.00 61.55 N ATOM 357 CA GLY A 24 -3.156 11.175 0.566 1.00 70.20 C ATOM 358 C GLY A 24 -2.494 10.404 1.708 1.00 12.31 C ATOM 359 O GLY A 24 -2.116 9.244 1.539 1.00 1.15 O ATOM 0 H GLY A 24 -3.952 13.102 0.648 1.00 61.55 H new ATOM 0 HA2 GLY A 24 -3.639 10.463 -0.104 1.00 70.20 H new ATOM 0 HA3 GLY A 24 -2.381 11.680 -0.011 1.00 70.20 H new ATOM 363 N GLU A 25 -2.350 11.054 2.872 1.00 70.14 N ATOM 364 CA GLU A 25 -1.759 10.431 4.068 1.00 41.30 C ATOM 365 C GLU A 25 -2.589 9.216 4.543 1.00 34.23 C ATOM 366 O GLU A 25 -2.041 8.286 5.128 1.00 42.03 O ATOM 367 CB GLU A 25 -1.599 11.478 5.200 1.00 3.11 C ATOM 368 CG GLU A 25 -2.899 12.184 5.633 1.00 2.45 C ATOM 369 CD GLU A 25 -2.701 13.031 6.895 1.00 50.23 C ATOM 370 OE1 GLU A 25 -2.728 12.457 8.004 1.00 40.22 O ATOM 371 OE2 GLU A 25 -2.458 14.248 6.792 1.00 55.14 O ATOM 0 H GLU A 25 -2.638 12.022 3.012 1.00 70.14 H new ATOM 0 HA GLU A 25 -0.769 10.060 3.801 1.00 41.30 H new ATOM 0 HB2 GLU A 25 -1.166 10.985 6.070 1.00 3.11 H new ATOM 0 HB3 GLU A 25 -0.885 12.235 4.874 1.00 3.11 H new ATOM 0 HG2 GLU A 25 -3.253 12.820 4.822 1.00 2.45 H new ATOM 0 HG3 GLU A 25 -3.673 11.438 5.815 1.00 2.45 H new ATOM 378 N LEU A 26 -3.914 9.266 4.302 1.00 1.13 N ATOM 379 CA LEU A 26 -4.848 8.137 4.523 1.00 54.01 C ATOM 380 C LEU A 26 -4.808 7.136 3.340 1.00 44.24 C ATOM 381 O LEU A 26 -4.833 5.917 3.535 1.00 21.41 O ATOM 382 CB LEU A 26 -6.294 8.675 4.682 1.00 1.41 C ATOM 383 CG LEU A 26 -6.590 9.562 5.923 1.00 25.54 C ATOM 384 CD1 LEU A 26 -7.997 10.193 5.823 1.00 14.42 C ATOM 385 CD2 LEU A 26 -6.442 8.739 7.213 1.00 1.12 C ATOM 0 H LEU A 26 -4.375 10.102 3.943 1.00 1.13 H new ATOM 0 HA LEU A 26 -4.539 7.618 5.430 1.00 54.01 H new ATOM 0 HB2 LEU A 26 -6.540 9.250 3.789 1.00 1.41 H new ATOM 0 HB3 LEU A 26 -6.971 7.821 4.708 1.00 1.41 H new ATOM 0 HG LEU A 26 -5.864 10.374 5.951 1.00 25.54 H new ATOM 0 HD11 LEU A 26 -8.183 10.810 6.702 1.00 14.42 H new ATOM 0 HD12 LEU A 26 -8.056 10.811 4.927 1.00 14.42 H new ATOM 0 HD13 LEU A 26 -8.747 9.404 5.769 1.00 14.42 H new ATOM 0 HD21 LEU A 26 -6.652 9.372 8.075 1.00 1.12 H new ATOM 0 HD22 LEU A 26 -7.144 7.906 7.195 1.00 1.12 H new ATOM 0 HD23 LEU A 26 -5.425 8.355 7.285 1.00 1.12 H new ATOM 397 N MET A 27 -4.777 7.692 2.112 1.00 70.45 N ATOM 398 CA MET A 27 -4.897 6.927 0.844 1.00 32.11 C ATOM 399 C MET A 27 -3.728 5.938 0.655 1.00 40.03 C ATOM 400 O MET A 27 -3.933 4.782 0.274 1.00 52.32 O ATOM 401 CB MET A 27 -4.981 7.928 -0.348 1.00 1.50 C ATOM 402 CG MET A 27 -6.211 8.858 -0.303 1.00 62.02 C ATOM 403 SD MET A 27 -6.097 10.271 -1.422 1.00 34.32 S ATOM 404 CE MET A 27 -6.262 9.488 -3.017 1.00 50.04 C ATOM 0 H MET A 27 -4.667 8.695 1.966 1.00 70.45 H new ATOM 0 HA MET A 27 -5.807 6.328 0.883 1.00 32.11 H new ATOM 0 HB2 MET A 27 -4.078 8.538 -0.361 1.00 1.50 H new ATOM 0 HB3 MET A 27 -4.998 7.365 -1.281 1.00 1.50 H new ATOM 0 HG2 MET A 27 -7.101 8.280 -0.552 1.00 62.02 H new ATOM 0 HG3 MET A 27 -6.342 9.223 0.716 1.00 62.02 H new ATOM 0 HE1 MET A 27 -6.317 10.251 -3.793 1.00 50.04 H new ATOM 0 HE2 MET A 27 -5.399 8.847 -3.199 1.00 50.04 H new ATOM 0 HE3 MET A 27 -7.171 8.887 -3.035 1.00 50.04 H new ATOM 414 N GLY A 28 -2.509 6.416 0.961 1.00 73.12 N ATOM 415 CA GLY A 28 -1.295 5.613 0.874 1.00 33.15 C ATOM 416 C GLY A 28 -1.282 4.458 1.869 1.00 33.42 C ATOM 417 O GLY A 28 -0.702 3.408 1.582 1.00 63.10 O ATOM 0 H GLY A 28 -2.347 7.373 1.275 1.00 73.12 H new ATOM 0 HA2 GLY A 28 -1.197 5.218 -0.137 1.00 33.15 H new ATOM 0 HA3 GLY A 28 -0.429 6.250 1.052 1.00 33.15 H new ATOM 421 N ARG A 29 -1.923 4.669 3.054 1.00 73.22 N ATOM 422 CA ARG A 29 -2.085 3.616 4.088 1.00 21.54 C ATOM 423 C ARG A 29 -2.859 2.437 3.490 1.00 21.34 C ATOM 424 O ARG A 29 -2.434 1.290 3.594 1.00 2.35 O ATOM 425 CB ARG A 29 -2.877 4.114 5.337 1.00 61.52 C ATOM 426 CG ARG A 29 -2.308 5.343 6.061 1.00 5.32 C ATOM 427 CD ARG A 29 -3.239 5.828 7.191 1.00 43.04 C ATOM 428 NE ARG A 29 -2.799 7.101 7.797 1.00 21.12 N ATOM 429 CZ ARG A 29 -3.336 7.644 8.910 1.00 51.22 C ATOM 430 NH1 ARG A 29 -4.327 7.021 9.557 1.00 3.33 N ATOM 431 NH2 ARG A 29 -2.901 8.808 9.369 1.00 51.31 N ATOM 0 H ARG A 29 -2.336 5.565 3.313 1.00 73.22 H new ATOM 0 HA ARG A 29 -1.083 3.329 4.406 1.00 21.54 H new ATOM 0 HB2 ARG A 29 -3.897 4.342 5.026 1.00 61.52 H new ATOM 0 HB3 ARG A 29 -2.938 3.294 6.052 1.00 61.52 H new ATOM 0 HG2 ARG A 29 -1.330 5.099 6.476 1.00 5.32 H new ATOM 0 HG3 ARG A 29 -2.158 6.150 5.343 1.00 5.32 H new ATOM 0 HD2 ARG A 29 -4.247 5.950 6.796 1.00 43.04 H new ATOM 0 HD3 ARG A 29 -3.290 5.062 7.965 1.00 43.04 H new ATOM 0 HE ARG A 29 -2.037 7.605 7.343 1.00 21.12 H new ATOM 0 HH11 ARG A 29 -4.682 6.130 9.210 1.00 3.33 H new ATOM 0 HH12 ARG A 29 -4.728 7.437 10.397 1.00 3.33 H new ATOM 0 HH21 ARG A 29 -2.154 9.302 8.881 1.00 51.31 H new ATOM 0 HH22 ARG A 29 -3.313 9.210 10.211 1.00 51.31 H new ATOM 445 N ALA A 30 -4.002 2.776 2.858 1.00 2.15 N ATOM 446 CA ALA A 30 -4.945 1.807 2.277 1.00 74.11 C ATOM 447 C ALA A 30 -4.272 0.934 1.206 1.00 73.31 C ATOM 448 O ALA A 30 -4.441 -0.281 1.209 1.00 22.43 O ATOM 449 CB ALA A 30 -6.157 2.542 1.693 1.00 54.34 C ATOM 0 H ALA A 30 -4.297 3.745 2.737 1.00 2.15 H new ATOM 0 HA ALA A 30 -5.281 1.143 3.073 1.00 74.11 H new ATOM 0 HB1 ALA A 30 -6.850 1.818 1.265 1.00 54.34 H new ATOM 0 HB2 ALA A 30 -6.659 3.101 2.483 1.00 54.34 H new ATOM 0 HB3 ALA A 30 -5.825 3.230 0.915 1.00 54.34 H new ATOM 455 N LEU A 31 -3.490 1.582 0.317 1.00 53.05 N ATOM 456 CA LEU A 31 -2.749 0.901 -0.767 1.00 55.14 C ATOM 457 C LEU A 31 -1.653 -0.012 -0.191 1.00 44.12 C ATOM 458 O LEU A 31 -1.446 -1.126 -0.673 1.00 42.02 O ATOM 459 CB LEU A 31 -2.138 1.958 -1.726 1.00 62.35 C ATOM 460 CG LEU A 31 -3.170 2.873 -2.451 1.00 51.11 C ATOM 461 CD1 LEU A 31 -2.473 3.984 -3.262 1.00 21.15 C ATOM 462 CD2 LEU A 31 -4.131 2.036 -3.326 1.00 70.20 C ATOM 0 H LEU A 31 -3.354 2.593 0.330 1.00 53.05 H new ATOM 0 HA LEU A 31 -3.442 0.274 -1.328 1.00 55.14 H new ATOM 0 HB2 LEU A 31 -1.454 2.588 -1.158 1.00 62.35 H new ATOM 0 HB3 LEU A 31 -1.543 1.441 -2.479 1.00 62.35 H new ATOM 0 HG LEU A 31 -3.770 3.370 -1.688 1.00 51.11 H new ATOM 0 HD11 LEU A 31 -3.225 4.602 -3.753 1.00 21.15 H new ATOM 0 HD12 LEU A 31 -1.876 4.603 -2.593 1.00 21.15 H new ATOM 0 HD13 LEU A 31 -1.825 3.534 -4.014 1.00 21.15 H new ATOM 0 HD21 LEU A 31 -4.842 2.698 -3.821 1.00 70.20 H new ATOM 0 HD22 LEU A 31 -3.558 1.491 -4.077 1.00 70.20 H new ATOM 0 HD23 LEU A 31 -4.672 1.328 -2.698 1.00 70.20 H new ATOM 474 N TYR A 32 -0.979 0.475 0.870 1.00 11.24 N ATOM 475 CA TYR A 32 0.061 -0.282 1.592 1.00 73.33 C ATOM 476 C TYR A 32 -0.556 -1.528 2.262 1.00 14.12 C ATOM 477 O TYR A 32 0.056 -2.598 2.267 1.00 73.41 O ATOM 478 CB TYR A 32 0.742 0.632 2.651 1.00 42.31 C ATOM 479 CG TYR A 32 1.961 0.016 3.367 1.00 54.35 C ATOM 480 CD1 TYR A 32 3.227 0.053 2.782 1.00 43.11 C ATOM 481 CD2 TYR A 32 1.850 -0.585 4.628 1.00 35.31 C ATOM 482 CE1 TYR A 32 4.324 -0.484 3.420 1.00 3.45 C ATOM 483 CE2 TYR A 32 2.953 -1.118 5.269 1.00 74.43 C ATOM 484 CZ TYR A 32 4.186 -1.065 4.659 1.00 14.20 C ATOM 485 OH TYR A 32 5.294 -1.580 5.296 1.00 53.01 O ATOM 0 H TYR A 32 -1.142 1.407 1.251 1.00 11.24 H new ATOM 0 HA TYR A 32 0.818 -0.615 0.882 1.00 73.33 H new ATOM 0 HB2 TYR A 32 1.056 1.554 2.163 1.00 42.31 H new ATOM 0 HB3 TYR A 32 0.000 0.905 3.402 1.00 42.31 H new ATOM 0 HD1 TYR A 32 3.349 0.511 1.812 1.00 43.11 H new ATOM 0 HD2 TYR A 32 0.884 -0.633 5.109 1.00 35.31 H new ATOM 0 HE1 TYR A 32 5.294 -0.449 2.946 1.00 3.45 H new ATOM 0 HE2 TYR A 32 2.848 -1.573 6.243 1.00 74.43 H new ATOM 0 HH TYR A 32 6.092 -1.085 5.016 1.00 53.01 H new ATOM 495 N ASN A 33 -1.792 -1.369 2.799 1.00 13.32 N ATOM 496 CA ASN A 33 -2.542 -2.459 3.450 1.00 24.31 C ATOM 497 C ASN A 33 -2.881 -3.561 2.440 1.00 72.43 C ATOM 498 O ASN A 33 -2.639 -4.741 2.706 1.00 25.55 O ATOM 499 CB ASN A 33 -3.853 -1.942 4.118 1.00 45.40 C ATOM 500 CG ASN A 33 -3.653 -1.290 5.485 1.00 74.12 C ATOM 501 OD1 ASN A 33 -3.413 -1.978 6.473 1.00 22.51 O ATOM 502 ND2 ASN A 33 -3.819 0.016 5.578 1.00 12.42 N ATOM 0 H ASN A 33 -2.291 -0.480 2.790 1.00 13.32 H new ATOM 0 HA ASN A 33 -1.900 -2.867 4.230 1.00 24.31 H new ATOM 0 HB2 ASN A 33 -4.326 -1.221 3.451 1.00 45.40 H new ATOM 0 HB3 ASN A 33 -4.545 -2.777 4.226 1.00 45.40 H new ATOM 0 HD21 ASN A 33 -3.749 0.476 6.486 1.00 12.42 H new ATOM 0 HD22 ASN A 33 -4.018 0.566 4.742 1.00 12.42 H new ATOM 509 N ILE A 34 -3.426 -3.144 1.277 1.00 65.34 N ATOM 510 CA ILE A 34 -3.787 -4.064 0.177 1.00 40.33 C ATOM 511 C ILE A 34 -2.539 -4.819 -0.311 1.00 54.02 C ATOM 512 O ILE A 34 -2.617 -6.008 -0.625 1.00 12.42 O ATOM 513 CB ILE A 34 -4.450 -3.301 -1.034 1.00 45.32 C ATOM 514 CG1 ILE A 34 -5.729 -2.526 -0.583 1.00 42.43 C ATOM 515 CG2 ILE A 34 -4.786 -4.267 -2.200 1.00 4.33 C ATOM 516 CD1 ILE A 34 -6.258 -1.525 -1.603 1.00 31.42 C ATOM 0 H ILE A 34 -3.627 -2.165 1.075 1.00 65.34 H new ATOM 0 HA ILE A 34 -4.518 -4.771 0.569 1.00 40.33 H new ATOM 0 HB ILE A 34 -3.720 -2.577 -1.396 1.00 45.32 H new ATOM 0 HG12 ILE A 34 -6.515 -3.247 -0.360 1.00 42.43 H new ATOM 0 HG13 ILE A 34 -5.509 -1.998 0.345 1.00 42.43 H new ATOM 0 HG21 ILE A 34 -5.241 -3.707 -3.017 1.00 4.33 H new ATOM 0 HG22 ILE A 34 -3.871 -4.744 -2.552 1.00 4.33 H new ATOM 0 HG23 ILE A 34 -5.482 -5.030 -1.851 1.00 4.33 H new ATOM 0 HD11 ILE A 34 -7.146 -1.035 -1.205 1.00 31.42 H new ATOM 0 HD12 ILE A 34 -5.493 -0.777 -1.810 1.00 31.42 H new ATOM 0 HD13 ILE A 34 -6.514 -2.046 -2.525 1.00 31.42 H new ATOM 528 N GLY A 35 -1.399 -4.104 -0.347 1.00 44.35 N ATOM 529 CA GLY A 35 -0.118 -4.695 -0.700 1.00 11.11 C ATOM 530 C GLY A 35 0.272 -5.836 0.236 1.00 23.14 C ATOM 531 O GLY A 35 0.707 -6.898 -0.217 1.00 44.35 O ATOM 0 H GLY A 35 -1.352 -3.108 -0.132 1.00 44.35 H new ATOM 0 HA2 GLY A 35 -0.162 -5.067 -1.724 1.00 11.11 H new ATOM 0 HA3 GLY A 35 0.654 -3.926 -0.673 1.00 11.11 H new ATOM 535 N LEU A 36 0.073 -5.619 1.549 1.00 62.24 N ATOM 536 CA LEU A 36 0.355 -6.629 2.589 1.00 22.25 C ATOM 537 C LEU A 36 -0.582 -7.843 2.436 1.00 23.31 C ATOM 538 O LEU A 36 -0.171 -8.980 2.702 1.00 44.14 O ATOM 539 CB LEU A 36 0.227 -6.006 4.014 1.00 51.44 C ATOM 540 CG LEU A 36 1.206 -4.834 4.332 1.00 53.24 C ATOM 541 CD1 LEU A 36 0.952 -4.244 5.734 1.00 23.21 C ATOM 542 CD2 LEU A 36 2.678 -5.263 4.156 1.00 22.23 C ATOM 0 H LEU A 36 -0.287 -4.740 1.920 1.00 62.24 H new ATOM 0 HA LEU A 36 1.381 -6.973 2.461 1.00 22.25 H new ATOM 0 HB2 LEU A 36 -0.794 -5.647 4.143 1.00 51.44 H new ATOM 0 HB3 LEU A 36 0.383 -6.795 4.750 1.00 51.44 H new ATOM 0 HG LEU A 36 1.008 -4.043 3.609 1.00 53.24 H new ATOM 0 HD11 LEU A 36 1.653 -3.430 5.919 1.00 23.21 H new ATOM 0 HD12 LEU A 36 -0.068 -3.864 5.789 1.00 23.21 H new ATOM 0 HD13 LEU A 36 1.091 -5.021 6.486 1.00 23.21 H new ATOM 0 HD21 LEU A 36 3.332 -4.422 4.386 1.00 22.23 H new ATOM 0 HD22 LEU A 36 2.899 -6.090 4.831 1.00 22.23 H new ATOM 0 HD23 LEU A 36 2.844 -5.581 3.127 1.00 22.23 H new ATOM 554 N GLU A 37 -1.835 -7.581 1.992 1.00 5.23 N ATOM 555 CA GLU A 37 -2.838 -8.640 1.747 1.00 20.04 C ATOM 556 C GLU A 37 -2.413 -9.527 0.564 1.00 15.44 C ATOM 557 O GLU A 37 -2.463 -10.751 0.659 1.00 10.23 O ATOM 558 CB GLU A 37 -4.262 -8.058 1.498 1.00 23.15 C ATOM 559 CG GLU A 37 -4.791 -7.092 2.581 1.00 31.51 C ATOM 560 CD GLU A 37 -4.521 -7.565 4.022 1.00 25.52 C ATOM 561 OE1 GLU A 37 -5.228 -8.468 4.519 1.00 62.42 O ATOM 562 OE2 GLU A 37 -3.588 -7.041 4.672 1.00 1.44 O ATOM 0 H GLU A 37 -2.174 -6.639 1.796 1.00 5.23 H new ATOM 0 HA GLU A 37 -2.886 -9.247 2.651 1.00 20.04 H new ATOM 0 HB2 GLU A 37 -4.258 -7.535 0.542 1.00 23.15 H new ATOM 0 HB3 GLU A 37 -4.962 -8.888 1.405 1.00 23.15 H new ATOM 0 HG2 GLU A 37 -4.332 -6.114 2.438 1.00 31.51 H new ATOM 0 HG3 GLU A 37 -5.865 -6.963 2.446 1.00 31.51 H new ATOM 569 N LYS A 38 -1.968 -8.885 -0.535 1.00 60.42 N ATOM 570 CA LYS A 38 -1.472 -9.583 -1.740 1.00 71.05 C ATOM 571 C LYS A 38 -0.257 -10.467 -1.382 1.00 32.01 C ATOM 572 O LYS A 38 -0.173 -11.623 -1.797 1.00 22.13 O ATOM 573 CB LYS A 38 -1.055 -8.546 -2.819 1.00 20.34 C ATOM 574 CG LYS A 38 -2.176 -7.616 -3.320 1.00 54.02 C ATOM 575 CD LYS A 38 -3.281 -8.363 -4.094 1.00 41.13 C ATOM 576 CE LYS A 38 -4.282 -7.399 -4.749 1.00 32.42 C ATOM 577 NZ LYS A 38 -5.241 -8.116 -5.627 1.00 53.12 N ATOM 0 H LYS A 38 -1.942 -7.868 -0.613 1.00 60.42 H new ATOM 0 HA LYS A 38 -2.271 -10.213 -2.131 1.00 71.05 H new ATOM 0 HB2 LYS A 38 -0.252 -7.931 -2.414 1.00 20.34 H new ATOM 0 HB3 LYS A 38 -0.645 -9.084 -3.674 1.00 20.34 H new ATOM 0 HG2 LYS A 38 -2.621 -7.102 -2.468 1.00 54.02 H new ATOM 0 HG3 LYS A 38 -1.744 -6.850 -3.964 1.00 54.02 H new ATOM 0 HD2 LYS A 38 -2.825 -8.988 -4.862 1.00 41.13 H new ATOM 0 HD3 LYS A 38 -3.812 -9.029 -3.414 1.00 41.13 H new ATOM 0 HE2 LYS A 38 -4.829 -6.861 -3.975 1.00 32.42 H new ATOM 0 HE3 LYS A 38 -3.741 -6.654 -5.333 1.00 32.42 H new ATOM 0 HZ1 LYS A 38 -4.980 -7.965 -6.622 1.00 53.12 H new ATOM 0 HZ2 LYS A 38 -5.215 -9.133 -5.412 1.00 53.12 H new ATOM 0 HZ3 LYS A 38 -6.201 -7.752 -5.462 1.00 53.12 H new ATOM 591 N ASN A 39 0.651 -9.889 -0.569 1.00 75.51 N ATOM 592 CA ASN A 39 1.926 -10.520 -0.159 1.00 1.41 C ATOM 593 C ASN A 39 1.664 -11.791 0.683 1.00 33.23 C ATOM 594 O ASN A 39 2.296 -12.831 0.457 1.00 15.33 O ATOM 595 CB ASN A 39 2.779 -9.489 0.645 1.00 43.24 C ATOM 596 CG ASN A 39 4.271 -9.847 0.803 1.00 2.41 C ATOM 597 OD1 ASN A 39 4.670 -11.012 0.765 1.00 73.34 O ATOM 598 ND2 ASN A 39 5.106 -8.835 1.015 1.00 44.24 N ATOM 0 H ASN A 39 0.519 -8.958 -0.173 1.00 75.51 H new ATOM 0 HA ASN A 39 2.477 -10.822 -1.050 1.00 1.41 H new ATOM 0 HB2 ASN A 39 2.705 -8.519 0.153 1.00 43.24 H new ATOM 0 HB3 ASN A 39 2.342 -9.377 1.637 1.00 43.24 H new ATOM 0 HD21 ASN A 39 6.101 -9.015 1.151 1.00 44.24 H new ATOM 0 HD22 ASN A 39 4.752 -7.879 1.042 1.00 44.24 H new ATOM 605 N LYS A 40 0.704 -11.698 1.633 1.00 64.33 N ATOM 606 CA LYS A 40 0.355 -12.825 2.532 1.00 71.20 C ATOM 607 C LYS A 40 -0.480 -13.899 1.779 1.00 31.41 C ATOM 608 O LYS A 40 -0.514 -15.063 2.194 1.00 64.03 O ATOM 609 CB LYS A 40 -0.377 -12.320 3.818 1.00 12.54 C ATOM 610 CG LYS A 40 -1.815 -11.823 3.598 1.00 64.31 C ATOM 611 CD LYS A 40 -2.516 -11.296 4.877 1.00 24.52 C ATOM 612 CE LYS A 40 -1.940 -9.972 5.397 1.00 21.13 C ATOM 613 NZ LYS A 40 -2.867 -9.318 6.364 1.00 30.41 N ATOM 0 H LYS A 40 0.156 -10.853 1.797 1.00 64.33 H new ATOM 0 HA LYS A 40 1.283 -13.297 2.855 1.00 71.20 H new ATOM 0 HB2 LYS A 40 -0.397 -13.130 4.547 1.00 12.54 H new ATOM 0 HB3 LYS A 40 0.207 -11.511 4.256 1.00 12.54 H new ATOM 0 HG2 LYS A 40 -1.801 -11.028 2.853 1.00 64.31 H new ATOM 0 HG3 LYS A 40 -2.408 -12.638 3.183 1.00 64.31 H new ATOM 0 HD2 LYS A 40 -3.578 -11.163 4.670 1.00 24.52 H new ATOM 0 HD3 LYS A 40 -2.436 -12.049 5.661 1.00 24.52 H new ATOM 0 HE2 LYS A 40 -0.980 -10.156 5.879 1.00 21.13 H new ATOM 0 HE3 LYS A 40 -1.753 -9.301 4.559 1.00 21.13 H new ATOM 0 HZ1 LYS A 40 -3.167 -8.396 5.988 1.00 30.41 H new ATOM 0 HZ2 LYS A 40 -3.701 -9.922 6.508 1.00 30.41 H new ATOM 0 HZ3 LYS A 40 -2.380 -9.179 7.272 1.00 30.41 H new ATOM 627 N MET A 41 -1.160 -13.489 0.678 1.00 22.04 N ATOM 628 CA MET A 41 -1.842 -14.423 -0.263 1.00 64.23 C ATOM 629 C MET A 41 -0.821 -15.141 -1.163 1.00 42.23 C ATOM 630 O MET A 41 -1.152 -16.133 -1.828 1.00 43.12 O ATOM 631 CB MET A 41 -2.876 -13.665 -1.147 1.00 53.42 C ATOM 632 CG MET A 41 -4.113 -13.173 -0.391 1.00 45.23 C ATOM 633 SD MET A 41 -5.202 -12.120 -1.378 1.00 31.42 S ATOM 634 CE MET A 41 -5.673 -13.237 -2.691 1.00 33.03 C ATOM 0 H MET A 41 -1.252 -12.508 0.416 1.00 22.04 H new ATOM 0 HA MET A 41 -2.367 -15.166 0.336 1.00 64.23 H new ATOM 0 HB2 MET A 41 -2.383 -12.809 -1.609 1.00 53.42 H new ATOM 0 HB3 MET A 41 -3.197 -14.323 -1.955 1.00 53.42 H new ATOM 0 HG2 MET A 41 -4.679 -14.036 -0.039 1.00 45.23 H new ATOM 0 HG3 MET A 41 -3.792 -12.621 0.492 1.00 45.23 H new ATOM 0 HE1 MET A 41 -5.951 -12.663 -3.575 1.00 33.03 H new ATOM 0 HE2 MET A 41 -4.834 -13.890 -2.932 1.00 33.03 H new ATOM 0 HE3 MET A 41 -6.521 -13.840 -2.368 1.00 33.03 H new ATOM 644 N GLY A 42 0.410 -14.610 -1.198 1.00 74.34 N ATOM 645 CA GLY A 42 1.498 -15.172 -1.995 1.00 4.41 C ATOM 646 C GLY A 42 1.719 -14.421 -3.298 1.00 41.41 C ATOM 647 O GLY A 42 2.754 -14.606 -3.947 1.00 3.33 O ATOM 0 H GLY A 42 0.674 -13.777 -0.672 1.00 74.34 H new ATOM 0 HA2 GLY A 42 2.418 -15.155 -1.410 1.00 4.41 H new ATOM 0 HA3 GLY A 42 1.279 -16.217 -2.215 1.00 4.41 H new ATOM 651 N LYS A 43 0.744 -13.564 -3.679 1.00 61.51 N ATOM 652 CA LYS A 43 0.800 -12.762 -4.911 1.00 41.03 C ATOM 653 C LYS A 43 1.591 -11.467 -4.657 1.00 32.52 C ATOM 654 O LYS A 43 1.040 -10.360 -4.607 1.00 62.13 O ATOM 655 CB LYS A 43 -0.628 -12.490 -5.461 1.00 52.55 C ATOM 656 CG LYS A 43 -1.384 -13.779 -5.852 1.00 51.52 C ATOM 657 CD LYS A 43 -2.723 -13.519 -6.574 1.00 33.01 C ATOM 658 CE LYS A 43 -3.732 -12.743 -5.722 1.00 63.34 C ATOM 659 NZ LYS A 43 -5.027 -12.567 -6.431 1.00 11.14 N ATOM 0 H LYS A 43 -0.105 -13.413 -3.134 1.00 61.51 H new ATOM 0 HA LYS A 43 1.327 -13.323 -5.683 1.00 41.03 H new ATOM 0 HB2 LYS A 43 -1.204 -11.952 -4.708 1.00 52.55 H new ATOM 0 HB3 LYS A 43 -0.557 -11.839 -6.333 1.00 52.55 H new ATOM 0 HG2 LYS A 43 -0.745 -14.383 -6.497 1.00 51.52 H new ATOM 0 HG3 LYS A 43 -1.574 -14.365 -4.953 1.00 51.52 H new ATOM 0 HD2 LYS A 43 -2.531 -12.964 -7.492 1.00 33.01 H new ATOM 0 HD3 LYS A 43 -3.162 -14.473 -6.865 1.00 33.01 H new ATOM 0 HE2 LYS A 43 -3.899 -13.272 -4.784 1.00 63.34 H new ATOM 0 HE3 LYS A 43 -3.320 -11.766 -5.468 1.00 63.34 H new ATOM 0 HZ1 LYS A 43 -5.686 -12.038 -5.825 1.00 11.14 H new ATOM 0 HZ2 LYS A 43 -4.870 -12.041 -7.314 1.00 11.14 H new ATOM 0 HZ3 LYS A 43 -5.432 -13.499 -6.651 1.00 11.14 H new ATOM 673 N VAL A 44 2.908 -11.653 -4.491 1.00 32.25 N ATOM 674 CA VAL A 44 3.871 -10.589 -4.157 1.00 13.41 C ATOM 675 C VAL A 44 4.004 -9.569 -5.316 1.00 44.21 C ATOM 676 O VAL A 44 4.374 -8.415 -5.095 1.00 51.54 O ATOM 677 CB VAL A 44 5.274 -11.205 -3.782 1.00 43.23 C ATOM 678 CG1 VAL A 44 6.269 -10.119 -3.315 1.00 51.44 C ATOM 679 CG2 VAL A 44 5.120 -12.314 -2.707 1.00 72.13 C ATOM 0 H VAL A 44 3.346 -12.569 -4.587 1.00 32.25 H new ATOM 0 HA VAL A 44 3.491 -10.053 -3.287 1.00 13.41 H new ATOM 0 HB VAL A 44 5.685 -11.657 -4.685 1.00 43.23 H new ATOM 0 HG11 VAL A 44 7.223 -10.583 -3.066 1.00 51.44 H new ATOM 0 HG12 VAL A 44 6.416 -9.393 -4.114 1.00 51.44 H new ATOM 0 HG13 VAL A 44 5.870 -9.614 -2.435 1.00 51.44 H new ATOM 0 HG21 VAL A 44 6.100 -12.724 -2.464 1.00 72.13 H new ATOM 0 HG22 VAL A 44 4.671 -11.890 -1.809 1.00 72.13 H new ATOM 0 HG23 VAL A 44 4.480 -13.108 -3.092 1.00 72.13 H new ATOM 689 N LYS A 45 3.683 -10.017 -6.549 1.00 22.24 N ATOM 690 CA LYS A 45 3.702 -9.165 -7.760 1.00 32.43 C ATOM 691 C LYS A 45 2.801 -7.917 -7.583 1.00 30.24 C ATOM 692 O LYS A 45 3.262 -6.785 -7.776 1.00 24.04 O ATOM 693 CB LYS A 45 3.280 -9.980 -9.025 1.00 22.03 C ATOM 694 CG LYS A 45 4.405 -10.831 -9.673 1.00 3.33 C ATOM 695 CD LYS A 45 5.071 -11.829 -8.697 1.00 51.34 C ATOM 696 CE LYS A 45 6.028 -12.821 -9.386 1.00 42.13 C ATOM 697 NZ LYS A 45 5.321 -13.720 -10.344 1.00 4.10 N ATOM 0 H LYS A 45 3.403 -10.980 -6.734 1.00 22.24 H new ATOM 0 HA LYS A 45 4.726 -8.820 -7.905 1.00 32.43 H new ATOM 0 HB2 LYS A 45 2.458 -10.642 -8.753 1.00 22.03 H new ATOM 0 HB3 LYS A 45 2.896 -9.286 -9.773 1.00 22.03 H new ATOM 0 HG2 LYS A 45 3.990 -11.383 -10.516 1.00 3.33 H new ATOM 0 HG3 LYS A 45 5.168 -10.164 -10.073 1.00 3.33 H new ATOM 0 HD2 LYS A 45 5.623 -11.271 -7.940 1.00 51.34 H new ATOM 0 HD3 LYS A 45 4.294 -12.389 -8.177 1.00 51.34 H new ATOM 0 HE2 LYS A 45 6.802 -12.266 -9.916 1.00 42.13 H new ATOM 0 HE3 LYS A 45 6.529 -13.424 -8.629 1.00 42.13 H new ATOM 0 HZ1 LYS A 45 5.961 -14.484 -10.640 1.00 4.10 H new ATOM 0 HZ2 LYS A 45 4.484 -14.129 -9.882 1.00 4.10 H new ATOM 0 HZ3 LYS A 45 5.024 -13.174 -11.178 1.00 4.10 H new ATOM 711 N GLU A 46 1.532 -8.140 -7.192 1.00 71.01 N ATOM 712 CA GLU A 46 0.563 -7.045 -6.963 1.00 73.20 C ATOM 713 C GLU A 46 0.944 -6.231 -5.712 1.00 71.41 C ATOM 714 O GLU A 46 0.742 -5.013 -5.680 1.00 25.15 O ATOM 715 CB GLU A 46 -0.879 -7.589 -6.835 1.00 32.24 C ATOM 716 CG GLU A 46 -1.396 -8.332 -8.081 1.00 32.31 C ATOM 717 CD GLU A 46 -2.845 -8.817 -7.927 1.00 0.40 C ATOM 718 OE1 GLU A 46 -3.062 -9.849 -7.261 1.00 72.22 O ATOM 719 OE2 GLU A 46 -3.781 -8.150 -8.418 1.00 23.33 O ATOM 0 H GLU A 46 1.150 -9.071 -7.027 1.00 71.01 H new ATOM 0 HA GLU A 46 0.599 -6.385 -7.830 1.00 73.20 H new ATOM 0 HB2 GLU A 46 -0.924 -8.264 -5.981 1.00 32.24 H new ATOM 0 HB3 GLU A 46 -1.550 -6.757 -6.620 1.00 32.24 H new ATOM 0 HG2 GLU A 46 -1.329 -7.672 -8.946 1.00 32.31 H new ATOM 0 HG3 GLU A 46 -0.751 -9.187 -8.282 1.00 32.31 H new ATOM 726 N ALA A 47 1.528 -6.928 -4.705 1.00 42.34 N ATOM 727 CA ALA A 47 2.007 -6.312 -3.451 1.00 14.41 C ATOM 728 C ALA A 47 2.996 -5.175 -3.738 1.00 2.21 C ATOM 729 O ALA A 47 2.852 -4.077 -3.204 1.00 51.22 O ATOM 730 CB ALA A 47 2.666 -7.369 -2.545 1.00 42.35 C ATOM 0 H ALA A 47 1.678 -7.936 -4.744 1.00 42.34 H new ATOM 0 HA ALA A 47 1.143 -5.894 -2.934 1.00 14.41 H new ATOM 0 HB1 ALA A 47 3.012 -6.896 -1.626 1.00 42.35 H new ATOM 0 HB2 ALA A 47 1.939 -8.144 -2.302 1.00 42.35 H new ATOM 0 HB3 ALA A 47 3.513 -7.816 -3.065 1.00 42.35 H new ATOM 736 N ILE A 48 3.973 -5.479 -4.620 1.00 32.13 N ATOM 737 CA ILE A 48 4.982 -4.528 -5.119 1.00 23.21 C ATOM 738 C ILE A 48 4.315 -3.277 -5.706 1.00 75.52 C ATOM 739 O ILE A 48 4.631 -2.160 -5.296 1.00 52.41 O ATOM 740 CB ILE A 48 5.887 -5.224 -6.214 1.00 65.51 C ATOM 741 CG1 ILE A 48 6.752 -6.352 -5.569 1.00 64.21 C ATOM 742 CG2 ILE A 48 6.772 -4.215 -6.988 1.00 34.40 C ATOM 743 CD1 ILE A 48 7.481 -7.242 -6.563 1.00 13.44 C ATOM 0 H ILE A 48 4.082 -6.414 -5.012 1.00 32.13 H new ATOM 0 HA ILE A 48 5.606 -4.220 -4.280 1.00 23.21 H new ATOM 0 HB ILE A 48 5.217 -5.671 -6.948 1.00 65.51 H new ATOM 0 HG12 ILE A 48 7.486 -5.894 -4.906 1.00 64.21 H new ATOM 0 HG13 ILE A 48 6.108 -6.975 -4.949 1.00 64.21 H new ATOM 0 HG21 ILE A 48 7.371 -4.748 -7.726 1.00 34.40 H new ATOM 0 HG22 ILE A 48 6.137 -3.487 -7.493 1.00 34.40 H new ATOM 0 HG23 ILE A 48 7.431 -3.699 -6.290 1.00 34.40 H new ATOM 0 HD11 ILE A 48 8.055 -7.995 -6.024 1.00 13.44 H new ATOM 0 HD12 ILE A 48 6.756 -7.734 -7.211 1.00 13.44 H new ATOM 0 HD13 ILE A 48 8.155 -6.636 -7.168 1.00 13.44 H new ATOM 755 N GLU A 49 3.364 -3.498 -6.632 1.00 53.41 N ATOM 756 CA GLU A 49 2.656 -2.423 -7.352 1.00 0.24 C ATOM 757 C GLU A 49 1.906 -1.496 -6.377 1.00 21.43 C ATOM 758 O GLU A 49 1.881 -0.278 -6.567 1.00 35.40 O ATOM 759 CB GLU A 49 1.690 -3.035 -8.399 1.00 63.01 C ATOM 760 CG GLU A 49 2.397 -3.947 -9.424 1.00 1.14 C ATOM 761 CD GLU A 49 1.437 -4.613 -10.419 1.00 23.11 C ATOM 762 OE1 GLU A 49 0.561 -5.385 -9.980 1.00 5.13 O ATOM 763 OE2 GLU A 49 1.559 -4.384 -11.642 1.00 62.42 O ATOM 0 H GLU A 49 3.063 -4.434 -6.904 1.00 53.41 H new ATOM 0 HA GLU A 49 3.393 -1.813 -7.874 1.00 0.24 H new ATOM 0 HB2 GLU A 49 0.922 -3.609 -7.882 1.00 63.01 H new ATOM 0 HB3 GLU A 49 1.183 -2.229 -8.929 1.00 63.01 H new ATOM 0 HG2 GLU A 49 3.129 -3.359 -9.977 1.00 1.14 H new ATOM 0 HG3 GLU A 49 2.948 -4.721 -8.890 1.00 1.14 H new ATOM 770 N TYR A 50 1.337 -2.090 -5.313 1.00 0.50 N ATOM 771 CA TYR A 50 0.621 -1.352 -4.260 1.00 44.22 C ATOM 772 C TYR A 50 1.565 -0.595 -3.305 1.00 1.42 C ATOM 773 O TYR A 50 1.168 0.434 -2.758 1.00 34.23 O ATOM 774 CB TYR A 50 -0.322 -2.287 -3.472 1.00 45.51 C ATOM 775 CG TYR A 50 -1.668 -2.517 -4.165 1.00 61.43 C ATOM 776 CD1 TYR A 50 -2.637 -1.513 -4.166 1.00 61.42 C ATOM 777 CD2 TYR A 50 -1.957 -3.711 -4.827 1.00 42.32 C ATOM 778 CE1 TYR A 50 -3.843 -1.690 -4.805 1.00 2.14 C ATOM 779 CE2 TYR A 50 -3.160 -3.892 -5.471 1.00 72.41 C ATOM 780 CZ TYR A 50 -4.102 -2.881 -5.452 1.00 74.24 C ATOM 781 OH TYR A 50 -5.303 -3.063 -6.086 1.00 74.41 O ATOM 0 H TYR A 50 1.361 -3.098 -5.160 1.00 0.50 H new ATOM 0 HA TYR A 50 0.022 -0.596 -4.768 1.00 44.22 H new ATOM 0 HB2 TYR A 50 0.171 -3.248 -3.324 1.00 45.51 H new ATOM 0 HB3 TYR A 50 -0.498 -1.864 -2.483 1.00 45.51 H new ATOM 0 HD1 TYR A 50 -2.437 -0.582 -3.657 1.00 61.42 H new ATOM 0 HD2 TYR A 50 -1.225 -4.505 -4.834 1.00 42.32 H new ATOM 0 HE1 TYR A 50 -4.582 -0.902 -4.800 1.00 2.14 H new ATOM 0 HE2 TYR A 50 -3.366 -4.818 -5.988 1.00 72.41 H new ATOM 0 HH TYR A 50 -5.326 -3.954 -6.493 1.00 74.41 H new ATOM 791 N PHE A 51 2.783 -1.126 -3.070 1.00 11.35 N ATOM 792 CA PHE A 51 3.805 -0.424 -2.257 1.00 13.33 C ATOM 793 C PHE A 51 4.426 0.719 -3.077 1.00 44.44 C ATOM 794 O PHE A 51 4.916 1.691 -2.510 1.00 42.11 O ATOM 795 CB PHE A 51 4.931 -1.374 -1.771 1.00 32.54 C ATOM 796 CG PHE A 51 4.505 -2.568 -0.920 1.00 4.44 C ATOM 797 CD1 PHE A 51 3.469 -2.465 0.012 1.00 61.13 C ATOM 798 CD2 PHE A 51 5.152 -3.800 -1.056 1.00 1.21 C ATOM 799 CE1 PHE A 51 3.093 -3.556 0.774 1.00 54.53 C ATOM 800 CE2 PHE A 51 4.776 -4.891 -0.294 1.00 2.23 C ATOM 801 CZ PHE A 51 3.743 -4.769 0.614 1.00 43.43 C ATOM 0 H PHE A 51 3.084 -2.032 -3.428 1.00 11.35 H new ATOM 0 HA PHE A 51 3.299 -0.031 -1.375 1.00 13.33 H new ATOM 0 HB2 PHE A 51 5.458 -1.752 -2.647 1.00 32.54 H new ATOM 0 HB3 PHE A 51 5.647 -0.786 -1.197 1.00 32.54 H new ATOM 0 HD1 PHE A 51 2.956 -1.523 0.139 1.00 61.13 H new ATOM 0 HD2 PHE A 51 5.958 -3.901 -1.767 1.00 1.21 H new ATOM 0 HE1 PHE A 51 2.293 -3.463 1.494 1.00 54.53 H new ATOM 0 HE2 PHE A 51 5.288 -5.835 -0.409 1.00 2.23 H new ATOM 0 HZ PHE A 51 3.440 -5.623 1.202 1.00 43.43 H new ATOM 811 N LEU A 52 4.426 0.557 -4.419 1.00 12.34 N ATOM 812 CA LEU A 52 4.894 1.590 -5.367 1.00 43.40 C ATOM 813 C LEU A 52 3.908 2.772 -5.361 1.00 44.12 C ATOM 814 O LEU A 52 4.316 3.939 -5.317 1.00 50.40 O ATOM 815 CB LEU A 52 5.021 1.015 -6.813 1.00 65.03 C ATOM 816 CG LEU A 52 6.157 -0.025 -7.061 1.00 11.31 C ATOM 817 CD1 LEU A 52 6.030 -0.671 -8.459 1.00 61.01 C ATOM 818 CD2 LEU A 52 7.549 0.608 -6.867 1.00 2.33 C ATOM 0 H LEU A 52 4.101 -0.296 -4.875 1.00 12.34 H new ATOM 0 HA LEU A 52 5.881 1.927 -5.050 1.00 43.40 H new ATOM 0 HB2 LEU A 52 4.071 0.550 -7.078 1.00 65.03 H new ATOM 0 HB3 LEU A 52 5.169 1.850 -7.498 1.00 65.03 H new ATOM 0 HG LEU A 52 6.046 -0.815 -6.318 1.00 11.31 H new ATOM 0 HD11 LEU A 52 6.836 -1.391 -8.602 1.00 61.01 H new ATOM 0 HD12 LEU A 52 5.070 -1.181 -8.538 1.00 61.01 H new ATOM 0 HD13 LEU A 52 6.095 0.102 -9.224 1.00 61.01 H new ATOM 0 HD21 LEU A 52 8.318 -0.143 -7.047 1.00 2.33 H new ATOM 0 HD22 LEU A 52 7.675 1.432 -7.569 1.00 2.33 H new ATOM 0 HD23 LEU A 52 7.639 0.983 -5.847 1.00 2.33 H new ATOM 830 N ARG A 53 2.603 2.436 -5.401 1.00 2.31 N ATOM 831 CA ARG A 53 1.510 3.420 -5.351 1.00 54.43 C ATOM 832 C ARG A 53 1.454 4.105 -3.978 1.00 25.43 C ATOM 833 O ARG A 53 1.338 5.324 -3.904 1.00 73.15 O ATOM 834 CB ARG A 53 0.149 2.754 -5.676 1.00 32.24 C ATOM 835 CG ARG A 53 -0.007 2.291 -7.141 1.00 63.42 C ATOM 836 CD ARG A 53 -1.423 1.785 -7.441 1.00 12.22 C ATOM 837 NE ARG A 53 -2.438 2.822 -7.174 1.00 72.13 N ATOM 838 CZ ARG A 53 -3.751 2.603 -7.007 1.00 24.32 C ATOM 839 NH1 ARG A 53 -4.263 1.366 -7.085 1.00 23.13 N ATOM 840 NH2 ARG A 53 -4.549 3.632 -6.745 1.00 64.22 N ATOM 0 H ARG A 53 2.280 1.471 -5.469 1.00 2.31 H new ATOM 0 HA ARG A 53 1.710 4.179 -6.108 1.00 54.43 H new ATOM 0 HB2 ARG A 53 0.015 1.893 -5.021 1.00 32.24 H new ATOM 0 HB3 ARG A 53 -0.650 3.459 -5.444 1.00 32.24 H new ATOM 0 HG2 ARG A 53 0.230 3.119 -7.809 1.00 63.42 H new ATOM 0 HG3 ARG A 53 0.712 1.498 -7.348 1.00 63.42 H new ATOM 0 HD2 ARG A 53 -1.486 1.474 -8.484 1.00 12.22 H new ATOM 0 HD3 ARG A 53 -1.632 0.905 -6.833 1.00 12.22 H new ATOM 0 HE ARG A 53 -2.114 3.787 -7.111 1.00 72.13 H new ATOM 0 HH11 ARG A 53 -3.651 0.572 -7.274 1.00 23.13 H new ATOM 0 HH12 ARG A 53 -5.264 1.219 -6.955 1.00 23.13 H new ATOM 0 HH21 ARG A 53 -4.161 4.573 -6.673 1.00 64.22 H new ATOM 0 HH22 ARG A 53 -5.549 3.481 -6.616 1.00 64.22 H new ATOM 854 N ALA A 54 1.570 3.297 -2.901 1.00 13.11 N ATOM 855 CA ALA A 54 1.565 3.794 -1.513 1.00 10.43 C ATOM 856 C ALA A 54 2.708 4.793 -1.297 1.00 24.34 C ATOM 857 O ALA A 54 2.485 5.893 -0.787 1.00 1.34 O ATOM 858 CB ALA A 54 1.681 2.626 -0.522 1.00 22.42 C ATOM 0 H ALA A 54 1.669 2.284 -2.972 1.00 13.11 H new ATOM 0 HA ALA A 54 0.619 4.306 -1.335 1.00 10.43 H new ATOM 0 HB1 ALA A 54 1.676 3.012 0.497 1.00 22.42 H new ATOM 0 HB2 ALA A 54 0.838 1.948 -0.658 1.00 22.42 H new ATOM 0 HB3 ALA A 54 2.612 2.088 -0.701 1.00 22.42 H new ATOM 864 N LYS A 55 3.916 4.394 -1.753 1.00 33.20 N ATOM 865 CA LYS A 55 5.131 5.215 -1.661 1.00 35.43 C ATOM 866 C LYS A 55 4.968 6.524 -2.446 1.00 75.44 C ATOM 867 O LYS A 55 5.389 7.570 -1.973 1.00 62.52 O ATOM 868 CB LYS A 55 6.355 4.435 -2.202 1.00 24.24 C ATOM 869 CG LYS A 55 7.700 5.188 -2.092 1.00 12.05 C ATOM 870 CD LYS A 55 8.860 4.439 -2.782 1.00 43.04 C ATOM 871 CE LYS A 55 10.139 5.281 -2.868 1.00 13.10 C ATOM 872 NZ LYS A 55 11.188 4.612 -3.686 1.00 52.41 N ATOM 0 H LYS A 55 4.070 3.488 -2.196 1.00 33.20 H new ATOM 0 HA LYS A 55 5.294 5.454 -0.610 1.00 35.43 H new ATOM 0 HB2 LYS A 55 6.436 3.492 -1.661 1.00 24.24 H new ATOM 0 HB3 LYS A 55 6.177 4.187 -3.248 1.00 24.24 H new ATOM 0 HG2 LYS A 55 7.595 6.177 -2.538 1.00 12.05 H new ATOM 0 HG3 LYS A 55 7.944 5.337 -1.040 1.00 12.05 H new ATOM 0 HD2 LYS A 55 9.071 3.520 -2.235 1.00 43.04 H new ATOM 0 HD3 LYS A 55 8.553 4.148 -3.787 1.00 43.04 H new ATOM 0 HE2 LYS A 55 9.905 6.253 -3.301 1.00 13.10 H new ATOM 0 HE3 LYS A 55 10.522 5.463 -1.864 1.00 13.10 H new ATOM 0 HZ1 LYS A 55 12.037 5.212 -3.720 1.00 52.41 H new ATOM 0 HZ2 LYS A 55 11.429 3.695 -3.259 1.00 52.41 H new ATOM 0 HZ3 LYS A 55 10.832 4.461 -4.651 1.00 52.41 H new ATOM 886 N LYS A 56 4.349 6.429 -3.645 1.00 1.31 N ATOM 887 CA LYS A 56 4.084 7.590 -4.529 1.00 21.02 C ATOM 888 C LYS A 56 3.225 8.643 -3.808 1.00 11.32 C ATOM 889 O LYS A 56 3.509 9.847 -3.857 1.00 41.11 O ATOM 890 CB LYS A 56 3.358 7.146 -5.836 1.00 51.42 C ATOM 891 CG LYS A 56 2.968 8.323 -6.773 1.00 2.23 C ATOM 892 CD LYS A 56 1.973 7.934 -7.889 1.00 60.21 C ATOM 893 CE LYS A 56 1.566 9.139 -8.758 1.00 13.23 C ATOM 894 NZ LYS A 56 0.472 8.802 -9.705 1.00 53.21 N ATOM 0 H LYS A 56 4.018 5.544 -4.029 1.00 1.31 H new ATOM 0 HA LYS A 56 5.048 8.027 -4.788 1.00 21.02 H new ATOM 0 HB2 LYS A 56 4.004 6.459 -6.383 1.00 51.42 H new ATOM 0 HB3 LYS A 56 2.457 6.593 -5.569 1.00 51.42 H new ATOM 0 HG2 LYS A 56 2.532 9.122 -6.174 1.00 2.23 H new ATOM 0 HG3 LYS A 56 3.872 8.725 -7.230 1.00 2.23 H new ATOM 0 HD2 LYS A 56 2.422 7.168 -8.522 1.00 60.21 H new ATOM 0 HD3 LYS A 56 1.082 7.495 -7.441 1.00 60.21 H new ATOM 0 HE2 LYS A 56 1.247 9.959 -8.114 1.00 13.23 H new ATOM 0 HE3 LYS A 56 2.433 9.491 -9.317 1.00 13.23 H new ATOM 0 HZ1 LYS A 56 0.230 9.642 -10.269 1.00 53.21 H new ATOM 0 HZ2 LYS A 56 0.784 8.038 -10.338 1.00 53.21 H new ATOM 0 HZ3 LYS A 56 -0.365 8.491 -9.172 1.00 53.21 H new ATOM 908 N VAL A 57 2.166 8.158 -3.152 1.00 54.22 N ATOM 909 CA VAL A 57 1.198 9.003 -2.461 1.00 22.35 C ATOM 910 C VAL A 57 1.840 9.652 -1.206 1.00 62.35 C ATOM 911 O VAL A 57 1.701 10.855 -1.001 1.00 73.00 O ATOM 912 CB VAL A 57 -0.097 8.181 -2.110 1.00 20.02 C ATOM 913 CG1 VAL A 57 -1.123 9.042 -1.369 1.00 13.34 C ATOM 914 CG2 VAL A 57 -0.734 7.575 -3.390 1.00 31.04 C ATOM 0 H VAL A 57 1.959 7.161 -3.088 1.00 54.22 H new ATOM 0 HA VAL A 57 0.896 9.814 -3.124 1.00 22.35 H new ATOM 0 HB VAL A 57 0.205 7.367 -1.450 1.00 20.02 H new ATOM 0 HG11 VAL A 57 -2.005 8.443 -1.142 1.00 13.34 H new ATOM 0 HG12 VAL A 57 -0.686 9.411 -0.441 1.00 13.34 H new ATOM 0 HG13 VAL A 57 -1.410 9.887 -1.996 1.00 13.34 H new ATOM 0 HG21 VAL A 57 -1.627 7.012 -3.120 1.00 31.04 H new ATOM 0 HG22 VAL A 57 -1.004 8.377 -4.077 1.00 31.04 H new ATOM 0 HG23 VAL A 57 -0.018 6.910 -3.873 1.00 31.04 H new ATOM 924 N PHE A 58 2.598 8.850 -0.417 1.00 21.54 N ATOM 925 CA PHE A 58 3.365 9.348 0.759 1.00 21.42 C ATOM 926 C PHE A 58 4.487 10.331 0.339 1.00 4.10 C ATOM 927 O PHE A 58 4.834 11.249 1.088 1.00 71.40 O ATOM 928 CB PHE A 58 3.993 8.171 1.561 1.00 30.43 C ATOM 929 CG PHE A 58 3.007 7.300 2.348 1.00 34.45 C ATOM 930 CD1 PHE A 58 2.112 7.874 3.256 1.00 35.24 C ATOM 931 CD2 PHE A 58 3.017 5.906 2.229 1.00 35.21 C ATOM 932 CE1 PHE A 58 1.249 7.083 3.996 1.00 2.01 C ATOM 933 CE2 PHE A 58 2.163 5.119 2.973 1.00 41.43 C ATOM 934 CZ PHE A 58 1.284 5.708 3.864 1.00 2.34 C ATOM 0 H PHE A 58 2.696 7.847 -0.574 1.00 21.54 H new ATOM 0 HA PHE A 58 2.653 9.878 1.392 1.00 21.42 H new ATOM 0 HB2 PHE A 58 4.538 7.532 0.866 1.00 30.43 H new ATOM 0 HB3 PHE A 58 4.724 8.580 2.258 1.00 30.43 H new ATOM 0 HD1 PHE A 58 2.093 8.946 3.382 1.00 35.24 H new ATOM 0 HD2 PHE A 58 3.706 5.438 1.542 1.00 35.21 H new ATOM 0 HE1 PHE A 58 0.548 7.542 4.677 1.00 2.01 H new ATOM 0 HE2 PHE A 58 2.181 4.045 2.860 1.00 41.43 H new ATOM 0 HZ PHE A 58 0.624 5.092 4.457 1.00 2.34 H new ATOM 944 N ASP A 59 5.032 10.117 -0.873 1.00 24.12 N ATOM 945 CA ASP A 59 6.101 10.956 -1.466 1.00 42.24 C ATOM 946 C ASP A 59 5.536 12.349 -1.792 1.00 44.32 C ATOM 947 O ASP A 59 6.209 13.374 -1.606 1.00 72.10 O ATOM 948 CB ASP A 59 6.659 10.270 -2.750 1.00 51.24 C ATOM 949 CG ASP A 59 7.847 10.998 -3.410 1.00 21.40 C ATOM 950 OD1 ASP A 59 9.007 10.710 -3.047 1.00 34.13 O ATOM 951 OD2 ASP A 59 7.621 11.858 -4.290 1.00 2.12 O ATOM 0 H ASP A 59 4.742 9.349 -1.478 1.00 24.12 H new ATOM 0 HA ASP A 59 6.919 11.068 -0.754 1.00 42.24 H new ATOM 0 HB2 ASP A 59 6.968 9.256 -2.497 1.00 51.24 H new ATOM 0 HB3 ASP A 59 5.853 10.186 -3.479 1.00 51.24 H new ATOM 956 N ALA A 60 4.276 12.351 -2.256 1.00 44.23 N ATOM 957 CA ALA A 60 3.511 13.573 -2.537 1.00 32.44 C ATOM 958 C ALA A 60 3.113 14.290 -1.229 1.00 34.31 C ATOM 959 O ALA A 60 3.027 15.520 -1.196 1.00 65.44 O ATOM 960 CB ALA A 60 2.269 13.235 -3.382 1.00 45.42 C ATOM 0 H ALA A 60 3.756 11.495 -2.448 1.00 44.23 H new ATOM 0 HA ALA A 60 4.143 14.255 -3.106 1.00 32.44 H new ATOM 0 HB1 ALA A 60 1.708 14.147 -3.585 1.00 45.42 H new ATOM 0 HB2 ALA A 60 2.581 12.784 -4.324 1.00 45.42 H new ATOM 0 HB3 ALA A 60 1.637 12.535 -2.836 1.00 45.42 H new ATOM 966 N GLU A 61 2.873 13.502 -0.152 1.00 71.33 N ATOM 967 CA GLU A 61 2.566 14.037 1.196 1.00 21.30 C ATOM 968 C GLU A 61 3.828 14.558 1.907 1.00 4.25 C ATOM 969 O GLU A 61 3.717 15.269 2.912 1.00 44.52 O ATOM 970 CB GLU A 61 1.914 12.937 2.090 1.00 25.54 C ATOM 971 CG GLU A 61 0.601 12.348 1.555 1.00 14.14 C ATOM 972 CD GLU A 61 -0.511 13.392 1.366 1.00 1.32 C ATOM 973 OE1 GLU A 61 -1.211 13.719 2.349 1.00 52.44 O ATOM 974 OE2 GLU A 61 -0.706 13.885 0.237 1.00 75.00 O ATOM 0 H GLU A 61 2.887 12.483 -0.194 1.00 71.33 H new ATOM 0 HA GLU A 61 1.872 14.866 1.053 1.00 21.30 H new ATOM 0 HB2 GLU A 61 2.630 12.126 2.219 1.00 25.54 H new ATOM 0 HB3 GLU A 61 1.728 13.358 3.078 1.00 25.54 H new ATOM 0 HG2 GLU A 61 0.795 11.859 0.600 1.00 14.14 H new ATOM 0 HG3 GLU A 61 0.251 11.578 2.243 1.00 14.14 H new ATOM 981 N HIS A 62 5.019 14.187 1.374 1.00 21.45 N ATOM 982 CA HIS A 62 6.330 14.465 2.002 1.00 64.03 C ATOM 983 C HIS A 62 6.463 13.756 3.364 1.00 22.14 C ATOM 984 O HIS A 62 7.223 14.189 4.238 1.00 73.54 O ATOM 985 CB HIS A 62 6.608 15.995 2.117 1.00 24.13 C ATOM 986 CG HIS A 62 6.812 16.690 0.794 1.00 23.14 C ATOM 987 ND1 HIS A 62 6.412 17.982 0.549 1.00 10.20 N ATOM 988 CD2 HIS A 62 7.444 16.277 -0.331 1.00 34.31 C ATOM 989 CE1 HIS A 62 6.793 18.332 -0.662 1.00 33.52 C ATOM 990 NE2 HIS A 62 7.424 17.316 -1.217 1.00 74.11 N ATOM 0 H HIS A 62 5.094 13.683 0.490 1.00 21.45 H new ATOM 0 HA HIS A 62 7.096 14.054 1.345 1.00 64.03 H new ATOM 0 HB2 HIS A 62 5.774 16.466 2.637 1.00 24.13 H new ATOM 0 HB3 HIS A 62 7.494 16.146 2.734 1.00 24.13 H new ATOM 0 HD2 HIS A 62 7.883 15.304 -0.497 1.00 34.31 H new ATOM 0 HE1 HIS A 62 6.618 19.292 -1.124 1.00 33.52 H new ATOM 0 HE2 HIS A 62 7.830 17.307 -2.153 1.00 74.11 H new ATOM 999 N ASP A 63 5.750 12.628 3.511 1.00 3.40 N ATOM 1000 CA ASP A 63 5.794 11.794 4.718 1.00 52.33 C ATOM 1001 C ASP A 63 6.957 10.797 4.576 1.00 53.13 C ATOM 1002 O ASP A 63 6.833 9.785 3.868 1.00 45.21 O ATOM 1003 CB ASP A 63 4.435 11.068 4.932 1.00 73.43 C ATOM 1004 CG ASP A 63 4.323 10.398 6.315 1.00 40.02 C ATOM 1005 OD1 ASP A 63 4.041 11.106 7.303 1.00 23.43 O ATOM 1006 OD2 ASP A 63 4.509 9.175 6.431 1.00 1.02 O ATOM 0 H ASP A 63 5.124 12.269 2.790 1.00 3.40 H new ATOM 0 HA ASP A 63 5.961 12.414 5.599 1.00 52.33 H new ATOM 0 HB2 ASP A 63 3.623 11.786 4.815 1.00 73.43 H new ATOM 0 HB3 ASP A 63 4.307 10.313 4.157 1.00 73.43 H new ATOM 1011 N THR A 64 8.100 11.127 5.216 1.00 31.12 N ATOM 1012 CA THR A 64 9.354 10.368 5.078 1.00 45.32 C ATOM 1013 C THR A 64 9.199 8.919 5.574 1.00 13.31 C ATOM 1014 O THR A 64 9.691 7.997 4.932 1.00 64.42 O ATOM 1015 CB THR A 64 10.548 11.070 5.817 1.00 43.51 C ATOM 1016 OG1 THR A 64 11.770 10.321 5.634 1.00 45.35 O ATOM 1017 CG2 THR A 64 10.281 11.270 7.323 1.00 24.43 C ATOM 0 H THR A 64 8.175 11.928 5.842 1.00 31.12 H new ATOM 0 HA THR A 64 9.584 10.342 4.013 1.00 45.32 H new ATOM 0 HB THR A 64 10.652 12.058 5.369 1.00 43.51 H new ATOM 0 HG1 THR A 64 12.504 10.774 6.100 1.00 45.35 H new ATOM 0 HG21 THR A 64 11.140 11.759 7.783 1.00 24.43 H new ATOM 0 HG22 THR A 64 9.395 11.891 7.456 1.00 24.43 H new ATOM 0 HG23 THR A 64 10.120 10.301 7.796 1.00 24.43 H new ATOM 1025 N ASP A 65 8.478 8.733 6.697 1.00 54.11 N ATOM 1026 CA ASP A 65 8.266 7.409 7.314 1.00 61.12 C ATOM 1027 C ASP A 65 7.379 6.513 6.440 1.00 75.22 C ATOM 1028 O ASP A 65 7.553 5.289 6.427 1.00 54.22 O ATOM 1029 CB ASP A 65 7.694 7.548 8.753 1.00 12.13 C ATOM 1030 CG ASP A 65 8.731 8.111 9.740 1.00 72.13 C ATOM 1031 OD1 ASP A 65 9.576 7.323 10.230 1.00 70.43 O ATOM 1032 OD2 ASP A 65 8.722 9.332 10.015 1.00 33.53 O ATOM 0 H ASP A 65 8.027 9.496 7.202 1.00 54.11 H new ATOM 0 HA ASP A 65 9.238 6.922 7.389 1.00 61.12 H new ATOM 0 HB2 ASP A 65 6.822 8.201 8.734 1.00 12.13 H new ATOM 0 HB3 ASP A 65 7.354 6.573 9.103 1.00 12.13 H new ATOM 1037 N GLY A 66 6.437 7.131 5.720 1.00 11.33 N ATOM 1038 CA GLY A 66 5.613 6.425 4.751 1.00 74.22 C ATOM 1039 C GLY A 66 6.426 5.942 3.553 1.00 34.43 C ATOM 1040 O GLY A 66 6.252 4.810 3.086 1.00 23.12 O ATOM 0 H GLY A 66 6.230 8.127 5.796 1.00 11.33 H new ATOM 0 HA2 GLY A 66 5.137 5.572 5.234 1.00 74.22 H new ATOM 0 HA3 GLY A 66 4.815 7.083 4.406 1.00 74.22 H new ATOM 1044 N ALA A 67 7.325 6.820 3.065 1.00 63.52 N ATOM 1045 CA ALA A 67 8.248 6.503 1.960 1.00 24.34 C ATOM 1046 C ALA A 67 9.278 5.424 2.381 1.00 23.22 C ATOM 1047 O ALA A 67 9.665 4.584 1.561 1.00 21.22 O ATOM 1048 CB ALA A 67 8.954 7.782 1.470 1.00 74.03 C ATOM 0 H ALA A 67 7.431 7.768 3.426 1.00 63.52 H new ATOM 0 HA ALA A 67 7.665 6.094 1.135 1.00 24.34 H new ATOM 0 HB1 ALA A 67 9.633 7.533 0.654 1.00 74.03 H new ATOM 0 HB2 ALA A 67 8.210 8.496 1.118 1.00 74.03 H new ATOM 0 HB3 ALA A 67 9.520 8.222 2.291 1.00 74.03 H new ATOM 1054 N ARG A 68 9.687 5.456 3.681 1.00 13.10 N ATOM 1055 CA ARG A 68 10.638 4.483 4.274 1.00 31.14 C ATOM 1056 C ARG A 68 10.030 3.073 4.277 1.00 1.40 C ATOM 1057 O ARG A 68 10.618 2.136 3.740 1.00 14.25 O ATOM 1058 CB ARG A 68 11.006 4.875 5.748 1.00 12.24 C ATOM 1059 CG ARG A 68 11.931 6.104 5.914 1.00 13.41 C ATOM 1060 CD ARG A 68 12.085 6.538 7.391 1.00 44.11 C ATOM 1061 NE ARG A 68 12.987 7.698 7.543 1.00 12.32 N ATOM 1062 CZ ARG A 68 13.047 8.504 8.622 1.00 61.55 C ATOM 1063 NH1 ARG A 68 12.242 8.308 9.667 1.00 25.54 N ATOM 1064 NH2 ARG A 68 13.920 9.502 8.654 1.00 23.52 N ATOM 0 H ARG A 68 9.363 6.160 4.344 1.00 13.10 H new ATOM 0 HA ARG A 68 11.541 4.497 3.664 1.00 31.14 H new ATOM 0 HB2 ARG A 68 10.082 5.065 6.294 1.00 12.24 H new ATOM 0 HB3 ARG A 68 11.485 4.018 6.222 1.00 12.24 H new ATOM 0 HG2 ARG A 68 12.914 5.873 5.503 1.00 13.41 H new ATOM 0 HG3 ARG A 68 11.531 6.936 5.335 1.00 13.41 H new ATOM 0 HD2 ARG A 68 11.105 6.787 7.798 1.00 44.11 H new ATOM 0 HD3 ARG A 68 12.470 5.702 7.975 1.00 44.11 H new ATOM 0 HE ARG A 68 13.616 7.906 6.768 1.00 12.32 H new ATOM 0 HH11 ARG A 68 11.570 7.541 9.656 1.00 25.54 H new ATOM 0 HH12 ARG A 68 12.298 8.926 10.477 1.00 25.54 H new ATOM 0 HH21 ARG A 68 14.545 9.659 7.863 1.00 23.52 H new ATOM 0 HH22 ARG A 68 13.967 10.113 9.470 1.00 23.52 H new ATOM 1078 N ARG A 69 8.820 2.967 4.859 1.00 23.44 N ATOM 1079 CA ARG A 69 8.154 1.675 5.123 1.00 42.43 C ATOM 1080 C ARG A 69 7.700 1.008 3.822 1.00 60.32 C ATOM 1081 O ARG A 69 7.724 -0.216 3.717 1.00 71.02 O ATOM 1082 CB ARG A 69 6.949 1.864 6.089 1.00 44.43 C ATOM 1083 CG ARG A 69 5.773 2.693 5.511 1.00 54.53 C ATOM 1084 CD ARG A 69 4.696 3.005 6.550 1.00 11.02 C ATOM 1085 NE ARG A 69 5.253 3.713 7.715 1.00 61.40 N ATOM 1086 CZ ARG A 69 4.625 3.892 8.884 1.00 20.33 C ATOM 1087 NH1 ARG A 69 3.384 3.428 9.084 1.00 53.34 N ATOM 1088 NH2 ARG A 69 5.255 4.507 9.872 1.00 15.01 N ATOM 0 H ARG A 69 8.275 3.775 5.160 1.00 23.44 H new ATOM 0 HA ARG A 69 8.881 1.018 5.601 1.00 42.43 H new ATOM 0 HB2 ARG A 69 6.575 0.881 6.377 1.00 44.43 H new ATOM 0 HB3 ARG A 69 7.304 2.349 6.999 1.00 44.43 H new ATOM 0 HG2 ARG A 69 6.160 3.628 5.104 1.00 54.53 H new ATOM 0 HG3 ARG A 69 5.323 2.147 4.682 1.00 54.53 H new ATOM 0 HD2 ARG A 69 3.915 3.613 6.094 1.00 11.02 H new ATOM 0 HD3 ARG A 69 4.227 2.077 6.878 1.00 11.02 H new ATOM 0 HE ARG A 69 6.193 4.098 7.624 1.00 61.40 H new ATOM 0 HH11 ARG A 69 2.900 2.928 8.338 1.00 53.34 H new ATOM 0 HH12 ARG A 69 2.923 3.575 9.982 1.00 53.34 H new ATOM 0 HH21 ARG A 69 6.210 4.840 9.739 1.00 15.01 H new ATOM 0 HH22 ARG A 69 4.786 4.648 10.766 1.00 15.01 H new ATOM 1102 N ALA A 70 7.296 1.831 2.830 1.00 54.42 N ATOM 1103 CA ALA A 70 6.813 1.340 1.533 1.00 34.34 C ATOM 1104 C ALA A 70 7.979 0.795 0.697 1.00 74.35 C ATOM 1105 O ALA A 70 7.860 -0.272 0.098 1.00 55.24 O ATOM 1106 CB ALA A 70 6.053 2.444 0.790 1.00 73.43 C ATOM 0 H ALA A 70 7.298 2.848 2.911 1.00 54.42 H new ATOM 0 HA ALA A 70 6.117 0.519 1.705 1.00 34.34 H new ATOM 0 HB1 ALA A 70 5.702 2.062 -0.169 1.00 73.43 H new ATOM 0 HB2 ALA A 70 5.199 2.763 1.388 1.00 73.43 H new ATOM 0 HB3 ALA A 70 6.716 3.293 0.622 1.00 73.43 H new ATOM 1112 N ALA A 71 9.116 1.532 0.704 1.00 33.25 N ATOM 1113 CA ALA A 71 10.353 1.118 0.013 1.00 0.04 C ATOM 1114 C ALA A 71 11.017 -0.076 0.735 1.00 13.32 C ATOM 1115 O ALA A 71 11.682 -0.893 0.098 1.00 14.45 O ATOM 1116 CB ALA A 71 11.344 2.296 -0.087 1.00 21.23 C ATOM 0 H ALA A 71 9.197 2.426 1.188 1.00 33.25 H new ATOM 0 HA ALA A 71 10.082 0.804 -0.995 1.00 0.04 H new ATOM 0 HB1 ALA A 71 12.248 1.968 -0.600 1.00 21.23 H new ATOM 0 HB2 ALA A 71 10.885 3.111 -0.646 1.00 21.23 H new ATOM 0 HB3 ALA A 71 11.600 2.642 0.914 1.00 21.23 H new ATOM 1122 N LYS A 72 10.824 -0.165 2.068 1.00 11.11 N ATOM 1123 CA LYS A 72 11.398 -1.247 2.894 1.00 43.01 C ATOM 1124 C LYS A 72 10.602 -2.547 2.699 1.00 73.44 C ATOM 1125 O LYS A 72 11.180 -3.633 2.607 1.00 64.42 O ATOM 1126 CB LYS A 72 11.433 -0.852 4.406 1.00 52.43 C ATOM 1127 CG LYS A 72 12.268 -1.780 5.341 1.00 54.44 C ATOM 1128 CD LYS A 72 13.797 -1.489 5.347 1.00 34.11 C ATOM 1129 CE LYS A 72 14.522 -1.822 4.029 1.00 13.53 C ATOM 1130 NZ LYS A 72 15.951 -1.421 4.060 1.00 35.20 N ATOM 0 H LYS A 72 10.269 0.507 2.599 1.00 11.11 H new ATOM 0 HA LYS A 72 12.425 -1.409 2.567 1.00 43.01 H new ATOM 0 HB2 LYS A 72 11.828 0.161 4.486 1.00 52.43 H new ATOM 0 HB3 LYS A 72 10.408 -0.825 4.777 1.00 52.43 H new ATOM 0 HG2 LYS A 72 11.889 -1.684 6.359 1.00 54.44 H new ATOM 0 HG3 LYS A 72 12.110 -2.815 5.039 1.00 54.44 H new ATOM 0 HD2 LYS A 72 13.951 -0.434 5.574 1.00 34.11 H new ATOM 0 HD3 LYS A 72 14.258 -2.059 6.153 1.00 34.11 H new ATOM 0 HE2 LYS A 72 14.451 -2.893 3.837 1.00 13.53 H new ATOM 0 HE3 LYS A 72 14.022 -1.316 3.203 1.00 13.53 H new ATOM 0 HZ1 LYS A 72 16.399 -1.664 3.154 1.00 35.20 H new ATOM 0 HZ2 LYS A 72 16.020 -0.395 4.217 1.00 35.20 H new ATOM 0 HZ3 LYS A 72 16.436 -1.923 4.831 1.00 35.20 H new ATOM 1144 N SER A 73 9.266 -2.403 2.630 1.00 20.44 N ATOM 1145 CA SER A 73 8.338 -3.516 2.385 1.00 70.41 C ATOM 1146 C SER A 73 8.519 -4.040 0.946 1.00 25.01 C ATOM 1147 O SER A 73 8.338 -5.231 0.684 1.00 10.15 O ATOM 1148 CB SER A 73 6.883 -3.053 2.621 1.00 32.44 C ATOM 1149 OG SER A 73 5.978 -4.141 2.672 1.00 3.02 O ATOM 0 H SER A 73 8.799 -1.503 2.744 1.00 20.44 H new ATOM 0 HA SER A 73 8.556 -4.327 3.079 1.00 70.41 H new ATOM 0 HB2 SER A 73 6.828 -2.493 3.555 1.00 32.44 H new ATOM 0 HB3 SER A 73 6.586 -2.372 1.823 1.00 32.44 H new ATOM 0 HG SER A 73 5.485 -4.196 1.827 1.00 3.02 H new ATOM 1155 N LEU A 74 8.875 -3.110 0.029 1.00 4.51 N ATOM 1156 CA LEU A 74 9.323 -3.439 -1.335 1.00 50.12 C ATOM 1157 C LEU A 74 10.593 -4.296 -1.295 1.00 50.33 C ATOM 1158 O LEU A 74 10.667 -5.313 -1.979 1.00 35.53 O ATOM 1159 CB LEU A 74 9.573 -2.142 -2.165 1.00 62.12 C ATOM 1160 CG LEU A 74 8.321 -1.541 -2.845 1.00 33.53 C ATOM 1161 CD1 LEU A 74 8.584 -0.148 -3.431 1.00 3.23 C ATOM 1162 CD2 LEU A 74 7.783 -2.505 -3.914 1.00 73.10 C ATOM 0 H LEU A 74 8.858 -2.108 0.220 1.00 4.51 H new ATOM 0 HA LEU A 74 8.532 -4.011 -1.820 1.00 50.12 H new ATOM 0 HB2 LEU A 74 10.007 -1.388 -1.508 1.00 62.12 H new ATOM 0 HB3 LEU A 74 10.315 -2.360 -2.934 1.00 62.12 H new ATOM 0 HG LEU A 74 7.560 -1.411 -2.076 1.00 33.53 H new ATOM 0 HD11 LEU A 74 7.673 0.229 -3.897 1.00 3.23 H new ATOM 0 HD12 LEU A 74 8.891 0.530 -2.635 1.00 3.23 H new ATOM 0 HD13 LEU A 74 9.374 -0.211 -4.179 1.00 3.23 H new ATOM 0 HD21 LEU A 74 6.902 -2.070 -4.385 1.00 73.10 H new ATOM 0 HD22 LEU A 74 8.551 -2.677 -4.669 1.00 73.10 H new ATOM 0 HD23 LEU A 74 7.515 -3.453 -3.447 1.00 73.10 H new ATOM 1174 N SER A 75 11.571 -3.878 -0.473 1.00 54.33 N ATOM 1175 CA SER A 75 12.863 -4.571 -0.353 1.00 5.33 C ATOM 1176 C SER A 75 12.686 -6.016 0.161 1.00 65.41 C ATOM 1177 O SER A 75 13.385 -6.925 -0.285 1.00 20.42 O ATOM 1178 CB SER A 75 13.818 -3.761 0.546 1.00 74.32 C ATOM 1179 OG SER A 75 14.026 -2.456 0.029 1.00 4.23 O ATOM 0 H SER A 75 11.488 -3.055 0.123 1.00 54.33 H new ATOM 0 HA SER A 75 13.307 -4.643 -1.346 1.00 5.33 H new ATOM 0 HB2 SER A 75 13.405 -3.695 1.553 1.00 74.32 H new ATOM 0 HB3 SER A 75 14.773 -4.280 0.627 1.00 74.32 H new ATOM 0 HG SER A 75 13.188 -1.950 0.071 1.00 4.23 H new ATOM 1185 N GLU A 76 11.721 -6.210 1.077 1.00 70.33 N ATOM 1186 CA GLU A 76 11.325 -7.541 1.577 1.00 53.41 C ATOM 1187 C GLU A 76 10.650 -8.363 0.464 1.00 61.33 C ATOM 1188 O GLU A 76 10.944 -9.547 0.281 1.00 41.33 O ATOM 1189 CB GLU A 76 10.376 -7.382 2.801 1.00 64.40 C ATOM 1190 CG GLU A 76 10.999 -6.618 3.993 1.00 11.00 C ATOM 1191 CD GLU A 76 12.190 -7.349 4.642 1.00 33.23 C ATOM 1192 OE1 GLU A 76 13.324 -7.254 4.124 1.00 12.14 O ATOM 1193 OE2 GLU A 76 12.000 -8.034 5.672 1.00 30.30 O ATOM 0 H GLU A 76 11.191 -5.445 1.494 1.00 70.33 H new ATOM 0 HA GLU A 76 12.218 -8.080 1.893 1.00 53.41 H new ATOM 0 HB2 GLU A 76 9.474 -6.860 2.481 1.00 64.40 H new ATOM 0 HB3 GLU A 76 10.069 -8.372 3.139 1.00 64.40 H new ATOM 0 HG2 GLU A 76 11.328 -5.637 3.652 1.00 11.00 H new ATOM 0 HG3 GLU A 76 10.231 -6.452 4.748 1.00 11.00 H new ATOM 1200 N ALA A 77 9.778 -7.680 -0.300 1.00 42.33 N ATOM 1201 CA ALA A 77 8.991 -8.272 -1.390 1.00 4.31 C ATOM 1202 C ALA A 77 9.891 -8.783 -2.540 1.00 74.23 C ATOM 1203 O ALA A 77 9.650 -9.862 -3.086 1.00 0.51 O ATOM 1204 CB ALA A 77 7.979 -7.234 -1.908 1.00 3.13 C ATOM 0 H ALA A 77 9.600 -6.684 -0.172 1.00 42.33 H new ATOM 0 HA ALA A 77 8.458 -9.138 -0.998 1.00 4.31 H new ATOM 0 HB1 ALA A 77 7.393 -7.670 -2.717 1.00 3.13 H new ATOM 0 HB2 ALA A 77 7.314 -6.938 -1.097 1.00 3.13 H new ATOM 0 HB3 ALA A 77 8.513 -6.358 -2.277 1.00 3.13 H new ATOM 1210 N TYR A 78 10.942 -8.008 -2.868 1.00 1.13 N ATOM 1211 CA TYR A 78 11.873 -8.330 -3.969 1.00 13.04 C ATOM 1212 C TYR A 78 12.793 -9.515 -3.613 1.00 33.11 C ATOM 1213 O TYR A 78 13.326 -10.160 -4.505 1.00 42.24 O ATOM 1214 CB TYR A 78 12.726 -7.098 -4.362 1.00 1.13 C ATOM 1215 CG TYR A 78 11.961 -5.951 -5.041 1.00 30.51 C ATOM 1216 CD1 TYR A 78 11.141 -6.183 -6.146 1.00 25.24 C ATOM 1217 CD2 TYR A 78 12.048 -4.639 -4.564 1.00 11.43 C ATOM 1218 CE1 TYR A 78 10.457 -5.147 -6.754 1.00 71.12 C ATOM 1219 CE2 TYR A 78 11.364 -3.606 -5.167 1.00 4.44 C ATOM 1220 CZ TYR A 78 10.562 -3.862 -6.250 1.00 64.25 C ATOM 1221 OH TYR A 78 9.868 -2.830 -6.841 1.00 4.41 O ATOM 0 H TYR A 78 11.170 -7.142 -2.379 1.00 1.13 H new ATOM 0 HA TYR A 78 11.261 -8.619 -4.824 1.00 13.04 H new ATOM 0 HB2 TYR A 78 13.206 -6.709 -3.464 1.00 1.13 H new ATOM 0 HB3 TYR A 78 13.521 -7.427 -5.031 1.00 1.13 H new ATOM 0 HD1 TYR A 78 11.039 -7.187 -6.532 1.00 25.24 H new ATOM 0 HD2 TYR A 78 12.666 -4.431 -3.703 1.00 11.43 H new ATOM 0 HE1 TYR A 78 9.842 -5.340 -7.621 1.00 71.12 H new ATOM 0 HE2 TYR A 78 11.459 -2.599 -4.789 1.00 4.44 H new ATOM 0 HH TYR A 78 10.053 -1.995 -6.362 1.00 4.41 H new ATOM 1231 N GLN A 79 12.999 -9.762 -2.308 1.00 75.50 N ATOM 1232 CA GLN A 79 13.789 -10.920 -1.827 1.00 61.52 C ATOM 1233 C GLN A 79 12.980 -12.227 -1.931 1.00 71.34 C ATOM 1234 O GLN A 79 13.550 -13.327 -1.912 1.00 55.44 O ATOM 1235 CB GLN A 79 14.263 -10.676 -0.377 1.00 24.03 C ATOM 1236 CG GLN A 79 15.222 -9.488 -0.239 1.00 11.43 C ATOM 1237 CD GLN A 79 15.650 -9.226 1.199 1.00 40.15 C ATOM 1238 OE1 GLN A 79 16.645 -9.775 1.668 1.00 61.13 O ATOM 1239 NE2 GLN A 79 14.899 -8.399 1.915 1.00 2.12 N ATOM 0 H GLN A 79 12.629 -9.175 -1.560 1.00 75.50 H new ATOM 0 HA GLN A 79 14.666 -11.026 -2.465 1.00 61.52 H new ATOM 0 HB2 GLN A 79 13.393 -10.506 0.257 1.00 24.03 H new ATOM 0 HB3 GLN A 79 14.756 -11.575 -0.008 1.00 24.03 H new ATOM 0 HG2 GLN A 79 16.108 -9.672 -0.847 1.00 11.43 H new ATOM 0 HG3 GLN A 79 14.742 -8.594 -0.637 1.00 11.43 H new ATOM 0 HE21 GLN A 79 14.080 -7.960 1.494 1.00 2.12 H new ATOM 0 HE22 GLN A 79 15.141 -8.202 2.886 1.00 2.12 H new ATOM 1248 N LYS A 80 11.644 -12.088 -1.991 1.00 63.12 N ATOM 1249 CA LYS A 80 10.714 -13.213 -2.207 1.00 33.34 C ATOM 1250 C LYS A 80 10.624 -13.531 -3.711 1.00 21.24 C ATOM 1251 O LYS A 80 10.671 -14.700 -4.119 1.00 54.11 O ATOM 1252 CB LYS A 80 9.317 -12.860 -1.617 1.00 62.40 C ATOM 1253 CG LYS A 80 9.384 -12.365 -0.155 1.00 74.22 C ATOM 1254 CD LYS A 80 8.007 -12.020 0.451 1.00 62.31 C ATOM 1255 CE LYS A 80 8.124 -11.364 1.842 1.00 43.23 C ATOM 1256 NZ LYS A 80 8.975 -12.162 2.776 1.00 23.42 N ATOM 0 H LYS A 80 11.175 -11.188 -1.891 1.00 63.12 H new ATOM 0 HA LYS A 80 11.083 -14.101 -1.695 1.00 33.34 H new ATOM 0 HB2 LYS A 80 8.853 -12.091 -2.234 1.00 62.40 H new ATOM 0 HB3 LYS A 80 8.675 -13.740 -1.667 1.00 62.40 H new ATOM 0 HG2 LYS A 80 9.858 -13.133 0.457 1.00 74.22 H new ATOM 0 HG3 LYS A 80 10.022 -11.482 -0.109 1.00 74.22 H new ATOM 0 HD2 LYS A 80 7.476 -11.347 -0.222 1.00 62.31 H new ATOM 0 HD3 LYS A 80 7.410 -12.929 0.530 1.00 62.31 H new ATOM 0 HE2 LYS A 80 8.545 -10.364 1.735 1.00 43.23 H new ATOM 0 HE3 LYS A 80 7.129 -11.247 2.271 1.00 43.23 H new ATOM 0 HZ1 LYS A 80 8.902 -11.767 3.735 1.00 23.42 H new ATOM 0 HZ2 LYS A 80 8.651 -13.150 2.782 1.00 23.42 H new ATOM 0 HZ3 LYS A 80 9.965 -12.125 2.461 1.00 23.42 H new ATOM 1270 N VAL A 81 10.507 -12.461 -4.524 1.00 51.21 N ATOM 1271 CA VAL A 81 10.469 -12.554 -5.996 1.00 64.25 C ATOM 1272 C VAL A 81 11.848 -13.005 -6.534 1.00 51.04 C ATOM 1273 O VAL A 81 12.010 -14.155 -6.960 1.00 72.42 O ATOM 1274 CB VAL A 81 10.024 -11.179 -6.631 1.00 75.04 C ATOM 1275 CG1 VAL A 81 10.069 -11.194 -8.183 1.00 35.04 C ATOM 1276 CG2 VAL A 81 8.619 -10.786 -6.124 1.00 3.43 C ATOM 0 H VAL A 81 10.436 -11.505 -4.175 1.00 51.21 H new ATOM 0 HA VAL A 81 9.730 -13.302 -6.284 1.00 64.25 H new ATOM 0 HB VAL A 81 10.743 -10.427 -6.308 1.00 75.04 H new ATOM 0 HG11 VAL A 81 9.753 -10.223 -8.566 1.00 35.04 H new ATOM 0 HG12 VAL A 81 11.086 -11.402 -8.516 1.00 35.04 H new ATOM 0 HG13 VAL A 81 9.399 -11.968 -8.559 1.00 35.04 H new ATOM 0 HG21 VAL A 81 8.324 -9.836 -6.569 1.00 3.43 H new ATOM 0 HG22 VAL A 81 7.902 -11.557 -6.406 1.00 3.43 H new ATOM 0 HG23 VAL A 81 8.638 -10.687 -5.039 1.00 3.43 H new ATOM 1286 N GLU A 82 12.843 -12.099 -6.468 1.00 61.41 N ATOM 1287 CA GLU A 82 14.229 -12.385 -6.874 1.00 2.24 C ATOM 1288 C GLU A 82 14.956 -13.114 -5.732 1.00 25.14 C ATOM 1289 O GLU A 82 15.174 -12.529 -4.665 1.00 14.21 O ATOM 1290 CB GLU A 82 14.981 -11.066 -7.207 1.00 15.12 C ATOM 1291 CG GLU A 82 14.327 -10.197 -8.301 1.00 53.10 C ATOM 1292 CD GLU A 82 15.056 -8.854 -8.493 1.00 4.11 C ATOM 1293 OE1 GLU A 82 14.939 -7.975 -7.610 1.00 44.22 O ATOM 1294 OE2 GLU A 82 15.780 -8.681 -9.499 1.00 42.14 O ATOM 0 H GLU A 82 12.706 -11.146 -6.130 1.00 61.41 H new ATOM 0 HA GLU A 82 14.212 -13.014 -7.764 1.00 2.24 H new ATOM 0 HB2 GLU A 82 15.064 -10.474 -6.296 1.00 15.12 H new ATOM 0 HB3 GLU A 82 15.995 -11.314 -7.520 1.00 15.12 H new ATOM 0 HG2 GLU A 82 14.324 -10.744 -9.244 1.00 53.10 H new ATOM 0 HG3 GLU A 82 13.286 -10.009 -8.039 1.00 53.10 H new ATOM 1301 N GLY A 83 15.319 -14.387 -5.942 1.00 75.22 N ATOM 1302 CA GLY A 83 16.101 -15.139 -4.961 1.00 41.43 C ATOM 1303 C GLY A 83 17.598 -14.853 -5.072 1.00 35.23 C ATOM 1304 O GLY A 83 18.406 -15.778 -5.234 1.00 71.21 O ATOM 0 H GLY A 83 15.082 -14.914 -6.783 1.00 75.22 H new ATOM 0 HA2 GLY A 83 15.759 -14.888 -3.957 1.00 41.43 H new ATOM 0 HA3 GLY A 83 15.926 -16.206 -5.100 1.00 41.43 H new ATOM 1308 N SER A 84 17.966 -13.564 -4.991 1.00 13.54 N ATOM 1309 CA SER A 84 19.364 -13.115 -5.089 1.00 35.40 C ATOM 1310 C SER A 84 20.078 -13.379 -3.752 1.00 40.13 C ATOM 1311 O SER A 84 19.766 -12.743 -2.741 1.00 3.12 O ATOM 1312 CB SER A 84 19.398 -11.616 -5.463 1.00 52.41 C ATOM 1313 OG SER A 84 18.666 -11.371 -6.655 1.00 41.42 O ATOM 0 H SER A 84 17.301 -12.803 -4.855 1.00 13.54 H new ATOM 0 HA SER A 84 19.886 -13.670 -5.869 1.00 35.40 H new ATOM 0 HB2 SER A 84 18.981 -11.025 -4.648 1.00 52.41 H new ATOM 0 HB3 SER A 84 20.431 -11.294 -5.594 1.00 52.41 H new ATOM 0 HG SER A 84 18.701 -10.415 -6.870 1.00 41.42 H new ATOM 1319 N GLY A 85 21.003 -14.351 -3.747 1.00 50.31 N ATOM 1320 CA GLY A 85 21.680 -14.789 -2.528 1.00 62.22 C ATOM 1321 C GLY A 85 20.995 -15.998 -1.902 1.00 25.32 C ATOM 1322 O GLY A 85 21.632 -17.037 -1.685 1.00 75.11 O ATOM 0 H GLY A 85 21.298 -14.850 -4.586 1.00 50.31 H new ATOM 0 HA2 GLY A 85 22.716 -15.037 -2.757 1.00 62.22 H new ATOM 0 HA3 GLY A 85 21.700 -13.970 -1.809 1.00 62.22 H new ATOM 1326 N ASP A 86 19.676 -15.830 -1.610 1.00 74.45 N ATOM 1327 CA ASP A 86 18.793 -16.877 -1.016 1.00 2.01 C ATOM 1328 C ASP A 86 19.272 -17.285 0.403 1.00 73.31 C ATOM 1329 O ASP A 86 18.854 -18.308 0.953 1.00 25.55 O ATOM 1330 CB ASP A 86 18.674 -18.113 -1.976 1.00 75.10 C ATOM 1331 CG ASP A 86 17.576 -19.132 -1.590 1.00 44.32 C ATOM 1332 OD1 ASP A 86 16.378 -18.801 -1.719 1.00 12.11 O ATOM 1333 OD2 ASP A 86 17.904 -20.251 -1.128 1.00 22.33 O ATOM 0 H ASP A 86 19.188 -14.951 -1.783 1.00 74.45 H new ATOM 0 HA ASP A 86 17.795 -16.454 -0.901 1.00 2.01 H new ATOM 0 HB2 ASP A 86 18.477 -17.753 -2.986 1.00 75.10 H new ATOM 0 HB3 ASP A 86 19.634 -18.628 -2.003 1.00 75.10 H new ATOM 1338 N LYS A 87 20.116 -16.438 1.012 1.00 72.44 N ATOM 1339 CA LYS A 87 20.771 -16.727 2.291 1.00 14.23 C ATOM 1340 C LYS A 87 20.951 -15.407 3.059 1.00 51.01 C ATOM 1341 O LYS A 87 21.936 -14.690 2.861 1.00 11.33 O ATOM 1342 CB LYS A 87 22.123 -17.450 2.010 1.00 41.43 C ATOM 1343 CG LYS A 87 22.878 -17.970 3.255 1.00 34.40 C ATOM 1344 CD LYS A 87 24.127 -18.802 2.872 1.00 64.04 C ATOM 1345 CE LYS A 87 24.835 -19.408 4.090 1.00 74.15 C ATOM 1346 NZ LYS A 87 26.000 -20.242 3.692 1.00 32.12 N ATOM 0 H LYS A 87 20.363 -15.527 0.625 1.00 72.44 H new ATOM 0 HA LYS A 87 20.168 -17.390 2.911 1.00 14.23 H new ATOM 0 HB2 LYS A 87 21.932 -18.293 1.346 1.00 41.43 H new ATOM 0 HB3 LYS A 87 22.776 -16.763 1.473 1.00 41.43 H new ATOM 0 HG2 LYS A 87 23.181 -17.125 3.874 1.00 34.40 H new ATOM 0 HG3 LYS A 87 22.206 -18.582 3.857 1.00 34.40 H new ATOM 0 HD2 LYS A 87 23.831 -19.603 2.194 1.00 64.04 H new ATOM 0 HD3 LYS A 87 24.828 -18.168 2.329 1.00 64.04 H new ATOM 0 HE2 LYS A 87 25.169 -18.609 4.751 1.00 74.15 H new ATOM 0 HE3 LYS A 87 24.129 -20.016 4.656 1.00 74.15 H new ATOM 0 HZ1 LYS A 87 26.453 -20.634 4.542 1.00 32.12 H new ATOM 0 HZ2 LYS A 87 25.678 -21.020 3.081 1.00 32.12 H new ATOM 0 HZ3 LYS A 87 26.686 -19.656 3.174 1.00 32.12 H new ATOM 1360 N GLY A 88 19.935 -15.056 3.869 1.00 55.04 N ATOM 1361 CA GLY A 88 19.957 -13.842 4.686 1.00 41.14 C ATOM 1362 C GLY A 88 20.530 -14.120 6.062 1.00 3.20 C ATOM 1363 O GLY A 88 19.807 -14.590 6.953 1.00 10.34 O ATOM 0 H GLY A 88 19.083 -15.607 3.971 1.00 55.04 H new ATOM 0 HA2 GLY A 88 20.552 -13.076 4.189 1.00 41.14 H new ATOM 0 HA3 GLY A 88 18.946 -13.447 4.783 1.00 41.14 H new ATOM 1367 N LYS A 89 21.853 -13.891 6.221 1.00 71.35 N ATOM 1368 CA LYS A 89 22.569 -14.152 7.486 1.00 32.33 C ATOM 1369 C LYS A 89 22.190 -13.122 8.559 1.00 45.50 C ATOM 1370 O LYS A 89 22.840 -12.085 8.703 1.00 74.20 O ATOM 1371 CB LYS A 89 24.114 -14.192 7.272 1.00 1.01 C ATOM 1372 CG LYS A 89 24.655 -15.476 6.601 1.00 62.33 C ATOM 1373 CD LYS A 89 26.204 -15.513 6.592 1.00 44.53 C ATOM 1374 CE LYS A 89 26.771 -16.890 6.222 1.00 23.54 C ATOM 1375 NZ LYS A 89 26.362 -17.940 7.198 1.00 0.22 N ATOM 0 H LYS A 89 22.449 -13.522 5.480 1.00 71.35 H new ATOM 0 HA LYS A 89 22.260 -15.136 7.839 1.00 32.33 H new ATOM 0 HB2 LYS A 89 24.402 -13.335 6.664 1.00 1.01 H new ATOM 0 HB3 LYS A 89 24.601 -14.074 8.240 1.00 1.01 H new ATOM 0 HG2 LYS A 89 24.274 -16.350 7.129 1.00 62.33 H new ATOM 0 HG3 LYS A 89 24.284 -15.535 5.578 1.00 62.33 H new ATOM 0 HD2 LYS A 89 26.575 -14.772 5.884 1.00 44.53 H new ATOM 0 HD3 LYS A 89 26.574 -15.227 7.577 1.00 44.53 H new ATOM 0 HE2 LYS A 89 26.429 -17.168 5.225 1.00 23.54 H new ATOM 0 HE3 LYS A 89 27.859 -16.836 6.182 1.00 23.54 H new ATOM 0 HZ1 LYS A 89 26.977 -18.772 7.092 1.00 0.22 H new ATOM 0 HZ2 LYS A 89 26.448 -17.567 8.165 1.00 0.22 H new ATOM 0 HZ3 LYS A 89 25.375 -18.215 7.019 1.00 0.22 H new ATOM 1389 N ILE A 90 21.130 -13.439 9.308 1.00 60.42 N ATOM 1390 CA ILE A 90 20.565 -12.569 10.345 1.00 4.30 C ATOM 1391 C ILE A 90 21.290 -12.766 11.703 1.00 20.01 C ATOM 1392 O ILE A 90 20.721 -13.233 12.699 1.00 11.11 O ATOM 1393 CB ILE A 90 19.004 -12.781 10.458 1.00 51.34 C ATOM 1394 CG1 ILE A 90 18.637 -14.291 10.652 1.00 4.05 C ATOM 1395 CG2 ILE A 90 18.283 -12.194 9.219 1.00 61.05 C ATOM 1396 CD1 ILE A 90 17.151 -14.572 10.814 1.00 43.15 C ATOM 0 H ILE A 90 20.631 -14.323 9.209 1.00 60.42 H new ATOM 0 HA ILE A 90 20.730 -11.532 10.054 1.00 4.30 H new ATOM 0 HB ILE A 90 18.662 -12.246 11.344 1.00 51.34 H new ATOM 0 HG12 ILE A 90 19.007 -14.853 9.795 1.00 4.05 H new ATOM 0 HG13 ILE A 90 19.161 -14.668 11.530 1.00 4.05 H new ATOM 0 HG21 ILE A 90 17.209 -12.350 9.316 1.00 61.05 H new ATOM 0 HG22 ILE A 90 18.490 -11.126 9.150 1.00 61.05 H new ATOM 0 HG23 ILE A 90 18.642 -12.692 8.319 1.00 61.05 H new ATOM 0 HD11 ILE A 90 16.995 -15.643 10.942 1.00 43.15 H new ATOM 0 HD12 ILE A 90 16.774 -14.043 11.689 1.00 43.15 H new ATOM 0 HD13 ILE A 90 16.617 -14.231 9.927 1.00 43.15 H new ATOM 1408 N PHE A 91 22.582 -12.412 11.706 1.00 1.02 N ATOM 1409 CA PHE A 91 23.419 -12.398 12.910 1.00 75.41 C ATOM 1410 C PHE A 91 23.391 -10.986 13.525 1.00 54.33 C ATOM 1411 O PHE A 91 24.050 -10.067 13.014 1.00 52.45 O ATOM 1412 CB PHE A 91 24.876 -12.819 12.579 1.00 71.41 C ATOM 1413 CG PHE A 91 25.036 -14.295 12.221 1.00 61.14 C ATOM 1414 CD1 PHE A 91 25.110 -15.260 13.225 1.00 23.43 C ATOM 1415 CD2 PHE A 91 25.103 -14.716 10.893 1.00 13.43 C ATOM 1416 CE1 PHE A 91 25.260 -16.595 12.913 1.00 33.55 C ATOM 1417 CE2 PHE A 91 25.254 -16.054 10.581 1.00 14.11 C ATOM 1418 CZ PHE A 91 25.325 -16.995 11.591 1.00 4.12 C ATOM 0 H PHE A 91 23.079 -12.125 10.863 1.00 1.02 H new ATOM 0 HA PHE A 91 23.024 -13.117 13.628 1.00 75.41 H new ATOM 0 HB2 PHE A 91 25.237 -12.214 11.747 1.00 71.41 H new ATOM 0 HB3 PHE A 91 25.511 -12.594 13.436 1.00 71.41 H new ATOM 0 HD1 PHE A 91 25.049 -14.958 14.260 1.00 23.43 H new ATOM 0 HD2 PHE A 91 25.036 -13.987 10.099 1.00 13.43 H new ATOM 0 HE1 PHE A 91 25.327 -17.329 13.702 1.00 33.55 H new ATOM 0 HE2 PHE A 91 25.316 -16.364 9.548 1.00 14.11 H new ATOM 0 HZ PHE A 91 25.431 -18.042 11.348 1.00 4.12 H new ATOM 1428 N GLN A 92 22.566 -10.829 14.588 1.00 73.43 N ATOM 1429 CA GLN A 92 22.464 -9.596 15.408 1.00 11.23 C ATOM 1430 C GLN A 92 21.951 -8.381 14.596 1.00 5.15 C ATOM 1431 O GLN A 92 22.182 -7.231 14.995 1.00 62.42 O ATOM 1432 CB GLN A 92 23.818 -9.260 16.125 1.00 5.32 C ATOM 1433 CG GLN A 92 24.267 -10.257 17.224 1.00 64.34 C ATOM 1434 CD GLN A 92 24.693 -11.625 16.687 1.00 23.45 C ATOM 1435 OE1 GLN A 92 23.890 -12.555 16.579 1.00 60.10 O ATOM 1436 NE2 GLN A 92 25.960 -11.759 16.334 1.00 44.12 N ATOM 0 H GLN A 92 21.941 -11.569 14.906 1.00 73.43 H new ATOM 0 HA GLN A 92 21.719 -9.804 16.176 1.00 11.23 H new ATOM 0 HB2 GLN A 92 24.602 -9.204 15.370 1.00 5.32 H new ATOM 0 HB3 GLN A 92 23.734 -8.270 16.572 1.00 5.32 H new ATOM 0 HG2 GLN A 92 25.098 -9.821 17.778 1.00 64.34 H new ATOM 0 HG3 GLN A 92 23.449 -10.394 17.931 1.00 64.34 H new ATOM 0 HE21 GLN A 92 26.603 -10.974 16.434 1.00 44.12 H new ATOM 0 HE22 GLN A 92 26.294 -12.648 15.962 1.00 44.12 H new ATOM 1445 N LYS A 93 21.232 -8.636 13.480 1.00 1.40 N ATOM 1446 CA LYS A 93 20.620 -7.570 12.664 1.00 25.24 C ATOM 1447 C LYS A 93 19.398 -6.996 13.404 1.00 75.51 C ATOM 1448 O LYS A 93 18.265 -7.473 13.247 1.00 65.12 O ATOM 1449 CB LYS A 93 20.229 -8.096 11.256 1.00 45.32 C ATOM 1450 CG LYS A 93 21.419 -8.509 10.376 1.00 1.31 C ATOM 1451 CD LYS A 93 20.984 -8.890 8.940 1.00 44.43 C ATOM 1452 CE LYS A 93 22.184 -9.159 8.026 1.00 14.51 C ATOM 1453 NZ LYS A 93 21.773 -9.569 6.658 1.00 62.21 N ATOM 0 H LYS A 93 21.062 -9.577 13.125 1.00 1.40 H new ATOM 0 HA LYS A 93 21.350 -6.774 12.517 1.00 25.24 H new ATOM 0 HB2 LYS A 93 19.566 -8.953 11.374 1.00 45.32 H new ATOM 0 HB3 LYS A 93 19.662 -7.323 10.738 1.00 45.32 H new ATOM 0 HG2 LYS A 93 22.136 -7.689 10.331 1.00 1.31 H new ATOM 0 HG3 LYS A 93 21.931 -9.355 10.835 1.00 1.31 H new ATOM 0 HD2 LYS A 93 20.351 -9.777 8.977 1.00 44.43 H new ATOM 0 HD3 LYS A 93 20.381 -8.085 8.519 1.00 44.43 H new ATOM 0 HE2 LYS A 93 22.799 -8.261 7.964 1.00 14.51 H new ATOM 0 HE3 LYS A 93 22.804 -9.940 8.466 1.00 14.51 H new ATOM 0 HZ1 LYS A 93 22.619 -9.739 6.078 1.00 62.21 H new ATOM 0 HZ2 LYS A 93 21.209 -10.441 6.712 1.00 62.21 H new ATOM 0 HZ3 LYS A 93 21.203 -8.814 6.226 1.00 62.21 H new ATOM 1467 N GLU A 94 19.676 -6.027 14.279 1.00 33.11 N ATOM 1468 CA GLU A 94 18.663 -5.331 15.074 1.00 41.32 C ATOM 1469 C GLU A 94 18.005 -4.235 14.219 1.00 42.13 C ATOM 1470 O GLU A 94 16.842 -4.381 13.809 1.00 72.23 O ATOM 1471 CB GLU A 94 19.334 -4.758 16.345 1.00 44.34 C ATOM 1472 CG GLU A 94 19.994 -5.834 17.242 1.00 20.41 C ATOM 1473 CD GLU A 94 21.000 -5.258 18.251 1.00 21.03 C ATOM 1474 OE1 GLU A 94 22.183 -5.089 17.889 1.00 22.34 O ATOM 1475 OE2 GLU A 94 20.615 -4.952 19.401 1.00 10.32 O ATOM 0 H GLU A 94 20.625 -5.699 14.457 1.00 33.11 H new ATOM 0 HA GLU A 94 17.876 -6.016 15.387 1.00 41.32 H new ATOM 0 HB2 GLU A 94 20.090 -4.031 16.049 1.00 44.34 H new ATOM 0 HB3 GLU A 94 18.586 -4.221 16.928 1.00 44.34 H new ATOM 0 HG2 GLU A 94 19.216 -6.371 17.784 1.00 20.41 H new ATOM 0 HG3 GLU A 94 20.502 -6.561 16.609 1.00 20.41 H new ATOM 1482 N GLY A 95 18.776 -3.163 13.925 1.00 44.14 N ATOM 1483 CA GLY A 95 18.293 -2.038 13.124 1.00 25.13 C ATOM 1484 C GLY A 95 17.050 -1.380 13.729 1.00 24.24 C ATOM 1485 O GLY A 95 16.987 -1.213 14.958 1.00 24.33 O ATOM 0 H GLY A 95 19.742 -3.063 14.238 1.00 44.14 H new ATOM 0 HA2 GLY A 95 19.085 -1.295 13.032 1.00 25.13 H new ATOM 0 HA3 GLY A 95 18.063 -2.385 12.117 1.00 25.13 H new ATOM 1489 N GLU A 96 16.079 -1.034 12.852 1.00 43.12 N ATOM 1490 CA GLU A 96 14.767 -0.454 13.218 1.00 63.13 C ATOM 1491 C GLU A 96 14.909 0.666 14.279 1.00 45.23 C ATOM 1492 O GLU A 96 14.378 0.590 15.398 1.00 23.11 O ATOM 1493 CB GLU A 96 13.783 -1.577 13.660 1.00 23.22 C ATOM 1494 CG GLU A 96 12.310 -1.126 13.815 1.00 61.24 C ATOM 1495 CD GLU A 96 11.385 -2.254 14.282 1.00 41.44 C ATOM 1496 OE1 GLU A 96 11.303 -2.504 15.501 1.00 62.22 O ATOM 1497 OE2 GLU A 96 10.750 -2.909 13.433 1.00 51.32 O ATOM 0 H GLU A 96 16.190 -1.154 11.845 1.00 43.12 H new ATOM 0 HA GLU A 96 14.343 0.024 12.335 1.00 63.13 H new ATOM 0 HB2 GLU A 96 13.826 -2.386 12.931 1.00 23.22 H new ATOM 0 HB3 GLU A 96 14.125 -1.987 14.611 1.00 23.22 H new ATOM 0 HG2 GLU A 96 12.261 -0.304 14.529 1.00 61.24 H new ATOM 0 HG3 GLU A 96 11.951 -0.741 12.860 1.00 61.24 H new ATOM 1504 N SER A 97 15.694 1.681 13.916 1.00 73.34 N ATOM 1505 CA SER A 97 16.039 2.789 14.801 1.00 3.45 C ATOM 1506 C SER A 97 15.593 4.104 14.151 1.00 41.24 C ATOM 1507 O SER A 97 16.313 4.680 13.324 1.00 1.40 O ATOM 1508 CB SER A 97 17.560 2.770 15.082 1.00 64.24 C ATOM 1509 OG SER A 97 17.911 3.729 16.062 1.00 62.40 O ATOM 0 H SER A 97 16.112 1.756 12.988 1.00 73.34 H new ATOM 0 HA SER A 97 15.525 2.692 15.757 1.00 3.45 H new ATOM 0 HB2 SER A 97 17.858 1.777 15.418 1.00 64.24 H new ATOM 0 HB3 SER A 97 18.105 2.972 14.160 1.00 64.24 H new ATOM 0 HG SER A 97 18.841 3.589 16.338 1.00 62.40 H new ATOM 1515 N ILE A 98 14.359 4.519 14.476 1.00 64.11 N ATOM 1516 CA ILE A 98 13.795 5.804 14.053 1.00 21.13 C ATOM 1517 C ILE A 98 14.375 6.886 14.997 1.00 14.24 C ATOM 1518 O ILE A 98 13.894 7.069 16.122 1.00 2.53 O ATOM 1519 CB ILE A 98 12.198 5.811 14.073 1.00 44.32 C ATOM 1520 CG1 ILE A 98 11.576 4.730 13.098 1.00 71.13 C ATOM 1521 CG2 ILE A 98 11.645 7.228 13.743 1.00 54.21 C ATOM 1522 CD1 ILE A 98 11.665 3.270 13.555 1.00 64.15 C ATOM 0 H ILE A 98 13.720 3.964 15.046 1.00 64.11 H new ATOM 0 HA ILE A 98 14.069 6.002 13.017 1.00 21.13 H new ATOM 0 HB ILE A 98 11.895 5.542 15.085 1.00 44.32 H new ATOM 0 HG12 ILE A 98 10.526 4.976 12.941 1.00 71.13 H new ATOM 0 HG13 ILE A 98 12.072 4.816 12.131 1.00 71.13 H new ATOM 0 HG21 ILE A 98 10.555 7.207 13.763 1.00 54.21 H new ATOM 0 HG22 ILE A 98 12.008 7.942 14.483 1.00 54.21 H new ATOM 0 HG23 ILE A 98 11.984 7.529 12.752 1.00 54.21 H new ATOM 0 HD11 ILE A 98 11.206 2.625 12.805 1.00 64.15 H new ATOM 0 HD12 ILE A 98 12.711 2.991 13.681 1.00 64.15 H new ATOM 0 HD13 ILE A 98 11.141 3.153 14.504 1.00 64.15 H new ATOM 1534 N LEU A 99 15.470 7.529 14.555 1.00 21.15 N ATOM 1535 CA LEU A 99 16.217 8.536 15.351 1.00 11.31 C ATOM 1536 C LEU A 99 16.391 9.857 14.574 1.00 52.42 C ATOM 1537 O LEU A 99 15.945 9.975 13.426 1.00 13.24 O ATOM 1538 CB LEU A 99 17.590 7.934 15.824 1.00 32.12 C ATOM 1539 CG LEU A 99 18.433 7.082 14.794 1.00 74.24 C ATOM 1540 CD1 LEU A 99 18.878 7.878 13.547 1.00 23.13 C ATOM 1541 CD2 LEU A 99 19.654 6.432 15.487 1.00 62.43 C ATOM 0 H LEU A 99 15.869 7.368 13.630 1.00 21.15 H new ATOM 0 HA LEU A 99 15.636 8.782 16.240 1.00 11.31 H new ATOM 0 HB2 LEU A 99 18.216 8.760 16.162 1.00 32.12 H new ATOM 0 HB3 LEU A 99 17.395 7.306 16.693 1.00 32.12 H new ATOM 0 HG LEU A 99 17.763 6.301 14.434 1.00 74.24 H new ATOM 0 HD11 LEU A 99 19.451 7.228 12.886 1.00 23.13 H new ATOM 0 HD12 LEU A 99 17.999 8.248 13.019 1.00 23.13 H new ATOM 0 HD13 LEU A 99 19.498 8.720 13.855 1.00 23.13 H new ATOM 0 HD21 LEU A 99 20.219 5.851 14.758 1.00 62.43 H new ATOM 0 HD22 LEU A 99 20.293 7.211 15.904 1.00 62.43 H new ATOM 0 HD23 LEU A 99 19.312 5.776 16.287 1.00 62.43 H new ATOM 1553 N GLU A 100 17.037 10.847 15.218 1.00 75.41 N ATOM 1554 CA GLU A 100 17.362 12.141 14.594 1.00 4.40 C ATOM 1555 C GLU A 100 18.479 11.952 13.540 1.00 60.00 C ATOM 1556 O GLU A 100 18.172 11.928 12.328 1.00 52.54 O ATOM 1557 CB GLU A 100 17.767 13.175 15.684 1.00 61.42 C ATOM 1558 CG GLU A 100 16.648 13.510 16.699 1.00 0.34 C ATOM 1559 CD GLU A 100 15.410 14.163 16.049 1.00 51.45 C ATOM 1560 OE1 GLU A 100 15.410 15.390 15.831 1.00 11.23 O ATOM 1561 OE2 GLU A 100 14.434 13.447 15.739 1.00 45.11 O ATOM 1562 OXT GLU A 100 19.644 11.758 13.928 1.00 37.19 O ATOM 0 H GLU A 100 17.348 10.771 16.186 1.00 75.41 H new ATOM 0 HA GLU A 100 16.482 12.530 14.082 1.00 4.40 H new ATOM 0 HB2 GLU A 100 18.630 12.791 16.228 1.00 61.42 H new ATOM 0 HB3 GLU A 100 18.083 14.096 15.194 1.00 61.42 H new ATOM 0 HG2 GLU A 100 16.343 12.596 17.208 1.00 0.34 H new ATOM 0 HG3 GLU A 100 17.046 14.181 17.460 1.00 0.34 H new TER 1569 GLU A 100