USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 509 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.474 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.44 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc=-0.00311 K(o=-0.0031,f=-1.4) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00117 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.234 USER MOD Single : A 51 TYR OH : rot 180:sc= 0.524 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= 0.526 (180deg=-0.0512) USER MOD Single : A 58 MET CE :methyl -118:sc= -1.15 (180deg=-1.2) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0381 F(o=-0.64,f=-0.038) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 30:sc= 0.38 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.813 -13.640 20.271 1.00 0.00 N ATOM 2 CA GLY A 1 -13.815 -14.148 19.352 1.00 0.00 C ATOM 3 C GLY A 1 -13.327 -14.171 17.917 1.00 0.00 C ATOM 4 O GLY A 1 -12.729 -15.150 17.473 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.195 -13.644 21.238 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.967 -14.243 20.230 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.558 -12.668 20.004 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.100 -15.156 19.652 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.711 -13.530 19.418 1.00 0.00 H new ATOM 8 N SER A 2 -13.586 -13.089 17.189 1.00 0.00 N ATOM 9 CA SER A 2 -13.174 -12.990 15.794 1.00 0.00 C ATOM 10 C SER A 2 -13.631 -14.214 15.005 1.00 0.00 C ATOM 11 O SER A 2 -12.892 -15.189 14.868 1.00 0.00 O ATOM 12 CB SER A 2 -11.654 -12.845 15.697 1.00 0.00 C ATOM 13 OG SER A 2 -11.253 -11.508 15.946 1.00 0.00 O ATOM 0 H SER A 2 -14.079 -12.269 17.542 1.00 0.00 H new ATOM 0 HA SER A 2 -13.644 -12.105 15.364 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.175 -13.511 16.415 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.319 -13.150 14.706 1.00 0.00 H new ATOM 0 HG SER A 2 -10.278 -11.441 15.880 1.00 0.00 H new ATOM 19 N SER A 3 -14.853 -14.155 14.488 1.00 0.00 N ATOM 20 CA SER A 3 -15.411 -15.259 13.716 1.00 0.00 C ATOM 21 C SER A 3 -14.655 -15.440 12.403 1.00 0.00 C ATOM 22 O SER A 3 -14.836 -14.671 11.459 1.00 0.00 O ATOM 23 CB SER A 3 -16.895 -15.015 13.434 1.00 0.00 C ATOM 24 OG SER A 3 -17.463 -16.095 12.715 1.00 0.00 O ATOM 0 H SER A 3 -15.476 -13.354 14.590 1.00 0.00 H new ATOM 0 HA SER A 3 -15.306 -16.170 14.305 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.429 -14.879 14.374 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.013 -14.093 12.865 1.00 0.00 H new ATOM 0 HG SER A 3 -18.412 -15.915 12.549 1.00 0.00 H new ATOM 30 N GLY A 4 -13.808 -16.464 12.351 1.00 0.00 N ATOM 31 CA GLY A 4 -13.037 -16.728 11.150 1.00 0.00 C ATOM 32 C GLY A 4 -12.088 -15.597 10.809 1.00 0.00 C ATOM 33 O GLY A 4 -11.181 -15.286 11.581 1.00 0.00 O ATOM 0 H GLY A 4 -13.642 -17.115 13.119 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.468 -17.648 11.283 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.717 -16.892 10.314 1.00 0.00 H new ATOM 37 N SER A 5 -12.295 -14.981 9.650 1.00 0.00 N ATOM 38 CA SER A 5 -11.447 -13.881 9.207 1.00 0.00 C ATOM 39 C SER A 5 -11.948 -12.550 9.758 1.00 0.00 C ATOM 40 O SER A 5 -13.040 -12.472 10.322 1.00 0.00 O ATOM 41 CB SER A 5 -11.401 -13.828 7.679 1.00 0.00 C ATOM 42 OG SER A 5 -10.457 -14.753 7.165 1.00 0.00 O ATOM 0 H SER A 5 -13.043 -15.225 9.001 1.00 0.00 H new ATOM 0 HA SER A 5 -10.441 -14.056 9.589 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.389 -14.049 7.274 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.141 -12.820 7.354 1.00 0.00 H new ATOM 0 HG SER A 5 -10.448 -14.701 6.186 1.00 0.00 H new ATOM 48 N SER A 6 -11.144 -11.506 9.591 1.00 0.00 N ATOM 49 CA SER A 6 -11.504 -10.178 10.076 1.00 0.00 C ATOM 50 C SER A 6 -12.168 -9.359 8.972 1.00 0.00 C ATOM 51 O SER A 6 -11.496 -8.677 8.200 1.00 0.00 O ATOM 52 CB SER A 6 -10.264 -9.447 10.593 1.00 0.00 C ATOM 53 OG SER A 6 -10.611 -8.206 11.181 1.00 0.00 O ATOM 0 H SER A 6 -10.239 -11.553 9.124 1.00 0.00 H new ATOM 0 HA SER A 6 -12.214 -10.297 10.894 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.751 -10.069 11.326 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.567 -9.281 9.772 1.00 0.00 H new ATOM 0 HG SER A 6 -9.801 -7.760 11.505 1.00 0.00 H new ATOM 59 N GLY A 7 -13.494 -9.433 8.906 1.00 0.00 N ATOM 60 CA GLY A 7 -14.228 -8.695 7.895 1.00 0.00 C ATOM 61 C GLY A 7 -13.697 -7.287 7.705 1.00 0.00 C ATOM 62 O GLY A 7 -13.665 -6.496 8.648 1.00 0.00 O ATOM 0 H GLY A 7 -14.073 -9.991 9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.174 -9.231 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.280 -8.648 8.176 1.00 0.00 H new ATOM 66 N VAL A 8 -13.279 -6.973 6.484 1.00 0.00 N ATOM 67 CA VAL A 8 -12.747 -5.651 6.173 1.00 0.00 C ATOM 68 C VAL A 8 -11.984 -5.074 7.359 1.00 0.00 C ATOM 69 O VAL A 8 -12.110 -3.892 7.677 1.00 0.00 O ATOM 70 CB VAL A 8 -13.869 -4.674 5.773 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.247 -4.864 4.312 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.080 -4.857 6.674 1.00 0.00 C ATOM 0 H VAL A 8 -13.298 -7.616 5.693 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.066 -5.773 5.331 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.502 -3.655 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.041 -4.165 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.376 -4.678 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.595 -5.885 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.863 -4.159 6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.450 -5.878 6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.796 -4.665 7.709 1.00 0.00 H new ATOM 82 N GLY A 9 -11.190 -5.917 8.013 1.00 0.00 N ATOM 83 CA GLY A 9 -10.417 -5.472 9.158 1.00 0.00 C ATOM 84 C GLY A 9 -9.027 -5.009 8.774 1.00 0.00 C ATOM 85 O GLY A 9 -8.480 -4.086 9.381 1.00 0.00 O ATOM 0 H GLY A 9 -11.068 -6.900 7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.944 -4.657 9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.339 -6.286 9.879 1.00 0.00 H new ATOM 89 N THR A 10 -8.448 -5.651 7.764 1.00 0.00 N ATOM 90 CA THR A 10 -7.111 -5.303 7.301 1.00 0.00 C ATOM 91 C THR A 10 -7.117 -3.975 6.554 1.00 0.00 C ATOM 92 O THR A 10 -6.232 -3.140 6.745 1.00 0.00 O ATOM 93 CB THR A 10 -6.532 -6.394 6.382 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.430 -7.632 7.094 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.162 -5.991 5.859 1.00 0.00 C ATOM 0 H THR A 10 -8.885 -6.416 7.250 1.00 0.00 H new ATOM 0 HA THR A 10 -6.483 -5.216 8.187 1.00 0.00 H new ATOM 0 HB THR A 10 -7.206 -6.517 5.534 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.062 -8.321 6.502 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.774 -6.778 5.212 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.247 -5.064 5.292 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.482 -5.842 6.698 1.00 0.00 H new ATOM 103 N ILE A 11 -8.120 -3.786 5.702 1.00 0.00 N ATOM 104 CA ILE A 11 -8.241 -2.557 4.927 1.00 0.00 C ATOM 105 C ILE A 11 -8.418 -1.347 5.838 1.00 0.00 C ATOM 106 O ILE A 11 -7.637 -0.396 5.782 1.00 0.00 O ATOM 107 CB ILE A 11 -9.427 -2.625 3.946 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.297 -3.851 3.040 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.502 -1.352 3.117 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.555 -4.689 2.976 1.00 0.00 C ATOM 0 H ILE A 11 -8.859 -4.467 5.531 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.316 -2.449 4.360 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.350 -2.716 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.036 -3.523 2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.474 -4.471 3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.345 -1.415 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.636 -0.495 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.579 -1.232 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.391 -5.541 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.805 -5.046 3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.376 -4.084 2.591 1.00 0.00 H new ATOM 122 N ASP A 12 -9.447 -1.390 6.676 1.00 0.00 N ATOM 123 CA ASP A 12 -9.725 -0.298 7.603 1.00 0.00 C ATOM 124 C ASP A 12 -8.434 0.246 8.204 1.00 0.00 C ATOM 125 O ASP A 12 -8.303 1.448 8.431 1.00 0.00 O ATOM 126 CB ASP A 12 -10.661 -0.772 8.716 1.00 0.00 C ATOM 127 CG ASP A 12 -11.350 0.380 9.421 1.00 0.00 C ATOM 128 OD1 ASP A 12 -12.256 0.990 8.815 1.00 0.00 O ATOM 129 OD2 ASP A 12 -10.986 0.670 10.580 1.00 0.00 O ATOM 0 H ASP A 12 -10.103 -2.169 6.733 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.211 0.504 7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.413 -1.439 8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.092 -1.352 9.443 1.00 0.00 H new ATOM 134 N GLN A 13 -7.483 -0.648 8.461 1.00 0.00 N ATOM 135 CA GLN A 13 -6.203 -0.256 9.038 1.00 0.00 C ATOM 136 C GLN A 13 -5.241 0.223 7.955 1.00 0.00 C ATOM 137 O GLN A 13 -4.644 1.294 8.069 1.00 0.00 O ATOM 138 CB GLN A 13 -5.585 -1.427 9.804 1.00 0.00 C ATOM 139 CG GLN A 13 -6.245 -1.691 11.147 1.00 0.00 C ATOM 140 CD GLN A 13 -5.239 -1.909 12.259 1.00 0.00 C ATOM 141 OE1 GLN A 13 -4.462 -2.863 12.232 1.00 0.00 O ATOM 142 NE2 GLN A 13 -5.248 -1.022 13.247 1.00 0.00 N ATOM 0 H GLN A 13 -7.576 -1.647 8.279 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.382 0.567 9.729 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.653 -2.327 9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.525 -1.228 9.962 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.887 -0.849 11.404 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.887 -2.568 11.066 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.909 -0.246 13.229 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.593 -1.117 14.023 1.00 0.00 H new ATOM 151 N LEU A 14 -5.095 -0.577 6.904 1.00 0.00 N ATOM 152 CA LEU A 14 -4.206 -0.235 5.800 1.00 0.00 C ATOM 153 C LEU A 14 -4.480 1.178 5.298 1.00 0.00 C ATOM 154 O LEU A 14 -3.592 2.033 5.301 1.00 0.00 O ATOM 155 CB LEU A 14 -4.373 -1.236 4.656 1.00 0.00 C ATOM 156 CG LEU A 14 -3.709 -0.860 3.331 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.205 -0.720 3.509 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.028 -1.894 2.261 1.00 0.00 C ATOM 0 H LEU A 14 -5.581 -1.467 6.794 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.180 -0.278 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.973 -2.197 4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.439 -1.378 4.477 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.107 0.102 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.749 -0.452 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.996 0.059 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.790 -1.666 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.547 -1.609 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.659 -2.870 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.107 -1.944 2.114 1.00 0.00 H new ATOM 170 N VAL A 15 -5.714 1.419 4.867 1.00 0.00 N ATOM 171 CA VAL A 15 -6.106 2.731 4.364 1.00 0.00 C ATOM 172 C VAL A 15 -5.581 3.844 5.264 1.00 0.00 C ATOM 173 O VAL A 15 -5.023 4.833 4.788 1.00 0.00 O ATOM 174 CB VAL A 15 -7.637 2.854 4.253 1.00 0.00 C ATOM 175 CG1 VAL A 15 -8.047 4.314 4.122 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.154 2.039 3.077 1.00 0.00 C ATOM 0 H VAL A 15 -6.460 0.723 4.856 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.668 2.834 3.371 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.083 2.456 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.132 4.382 4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.711 4.867 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.592 4.741 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.238 2.138 3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.702 2.404 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.893 0.990 3.218 1.00 0.00 H new ATOM 186 N LYS A 16 -5.764 3.676 6.570 1.00 0.00 N ATOM 187 CA LYS A 16 -5.307 4.665 7.540 1.00 0.00 C ATOM 188 C LYS A 16 -3.846 5.031 7.298 1.00 0.00 C ATOM 189 O LYS A 16 -3.438 6.173 7.514 1.00 0.00 O ATOM 190 CB LYS A 16 -5.481 4.131 8.963 1.00 0.00 C ATOM 191 CG LYS A 16 -4.175 3.721 9.623 1.00 0.00 C ATOM 192 CD LYS A 16 -4.416 3.044 10.961 1.00 0.00 C ATOM 193 CE LYS A 16 -3.767 3.814 12.101 1.00 0.00 C ATOM 194 NZ LYS A 16 -4.480 3.603 13.391 1.00 0.00 N ATOM 0 H LYS A 16 -6.225 2.864 6.981 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.913 5.563 7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.962 4.896 9.573 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.152 3.272 8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.630 3.044 8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.547 4.600 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.488 2.962 11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.019 2.029 10.933 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.728 3.501 12.205 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.757 4.877 11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.006 4.145 14.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.465 3.925 13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.468 2.592 13.633 1.00 0.00 H new ATOM 208 N ARG A 17 -3.063 4.055 6.847 1.00 0.00 N ATOM 209 CA ARG A 17 -1.648 4.276 6.575 1.00 0.00 C ATOM 210 C ARG A 17 -1.463 5.184 5.363 1.00 0.00 C ATOM 211 O ARG A 17 -1.011 6.322 5.490 1.00 0.00 O ATOM 212 CB ARG A 17 -0.938 2.941 6.339 1.00 0.00 C ATOM 213 CG ARG A 17 -1.266 1.886 7.383 1.00 0.00 C ATOM 214 CD ARG A 17 -0.303 0.711 7.307 1.00 0.00 C ATOM 215 NE ARG A 17 -0.347 -0.112 8.513 1.00 0.00 N ATOM 216 CZ ARG A 17 0.123 -1.353 8.574 1.00 0.00 C ATOM 217 NH1 ARG A 17 0.669 -1.911 7.503 1.00 0.00 N ATOM 218 NH2 ARG A 17 0.046 -2.038 9.708 1.00 0.00 N ATOM 0 H ARG A 17 -3.385 3.105 6.663 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.208 4.765 7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.211 2.563 5.354 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.139 3.108 6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.222 2.330 8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.286 1.532 7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.548 0.097 6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.711 1.082 7.158 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.761 0.288 9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.729 -1.387 6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.029 -2.864 7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.374 -1.612 10.534 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.407 -2.991 9.754 1.00 0.00 H new ATOM 232 N VAL A 18 -1.812 4.673 4.187 1.00 0.00 N ATOM 233 CA VAL A 18 -1.686 5.437 2.953 1.00 0.00 C ATOM 234 C VAL A 18 -2.161 6.872 3.143 1.00 0.00 C ATOM 235 O VAL A 18 -1.769 7.771 2.397 1.00 0.00 O ATOM 236 CB VAL A 18 -2.486 4.791 1.807 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.988 3.379 1.536 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.973 4.787 2.133 1.00 0.00 C ATOM 0 H VAL A 18 -2.185 3.732 4.063 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.628 5.439 2.691 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.336 5.382 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.566 2.939 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.935 3.412 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.106 2.773 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.524 4.327 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.143 4.220 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.318 5.812 2.272 1.00 0.00 H new ATOM 248 N ILE A 19 -3.006 7.081 4.147 1.00 0.00 N ATOM 249 CA ILE A 19 -3.534 8.409 4.437 1.00 0.00 C ATOM 250 C ILE A 19 -2.506 9.260 5.174 1.00 0.00 C ATOM 251 O ILE A 19 -2.194 10.375 4.757 1.00 0.00 O ATOM 252 CB ILE A 19 -4.821 8.332 5.279 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.908 7.569 4.521 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.300 9.729 5.643 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.739 8.447 3.612 1.00 0.00 C ATOM 0 H ILE A 19 -3.340 6.348 4.773 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.765 8.873 3.478 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.603 7.793 6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.442 6.783 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.565 7.079 5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.210 9.658 6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.529 10.239 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.505 10.292 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.490 7.840 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.234 9.218 4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.093 8.917 2.870 1.00 0.00 H new ATOM 267 N GLU A 20 -1.981 8.725 6.272 1.00 0.00 N ATOM 268 CA GLU A 20 -0.987 9.436 7.068 1.00 0.00 C ATOM 269 C GLU A 20 0.402 9.302 6.451 1.00 0.00 C ATOM 270 O GLU A 20 1.343 9.980 6.859 1.00 0.00 O ATOM 271 CB GLU A 20 -0.973 8.903 8.502 1.00 0.00 C ATOM 272 CG GLU A 20 -2.348 8.521 9.023 1.00 0.00 C ATOM 273 CD GLU A 20 -2.758 9.330 10.238 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.851 10.571 10.122 1.00 0.00 O ATOM 275 OE2 GLU A 20 -2.986 8.723 11.306 1.00 0.00 O ATOM 0 H GLU A 20 -2.227 7.802 6.630 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.259 10.491 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.320 8.031 8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.543 9.660 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.084 8.663 8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.354 7.461 9.278 1.00 0.00 H new ATOM 282 N GLY A 21 0.520 8.420 5.462 1.00 0.00 N ATOM 283 CA GLY A 21 1.797 8.212 4.803 1.00 0.00 C ATOM 284 C GLY A 21 2.757 7.397 5.646 1.00 0.00 C ATOM 285 O GLY A 21 3.866 7.086 5.211 1.00 0.00 O ATOM 0 H GLY A 21 -0.245 7.847 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.633 7.706 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.247 9.178 4.576 1.00 0.00 H new ATOM 289 N SER A 22 2.332 7.050 6.857 1.00 0.00 N ATOM 290 CA SER A 22 3.164 6.270 7.766 1.00 0.00 C ATOM 291 C SER A 22 3.916 5.178 7.011 1.00 0.00 C ATOM 292 O SER A 22 4.975 4.722 7.446 1.00 0.00 O ATOM 293 CB SER A 22 2.308 5.647 8.868 1.00 0.00 C ATOM 294 OG SER A 22 3.043 4.686 9.605 1.00 0.00 O ATOM 0 H SER A 22 1.416 7.297 7.231 1.00 0.00 H new ATOM 0 HA SER A 22 3.892 6.942 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.950 6.428 9.539 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.429 5.177 8.427 1.00 0.00 H new ATOM 0 HG SER A 22 2.473 4.304 10.304 1.00 0.00 H new ATOM 300 N LEU A 23 3.361 4.762 5.878 1.00 0.00 N ATOM 301 CA LEU A 23 3.978 3.723 5.061 1.00 0.00 C ATOM 302 C LEU A 23 4.684 4.326 3.852 1.00 0.00 C ATOM 303 O LEU A 23 4.161 5.233 3.203 1.00 0.00 O ATOM 304 CB LEU A 23 2.922 2.716 4.599 1.00 0.00 C ATOM 305 CG LEU A 23 2.250 3.017 3.260 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.672 1.746 2.655 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.163 4.068 3.432 1.00 0.00 C ATOM 0 H LEU A 23 2.485 5.128 5.504 1.00 0.00 H new ATOM 0 HA LEU A 23 4.720 3.209 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.389 1.733 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.149 2.653 5.365 1.00 0.00 H new ATOM 0 HG LEU A 23 3.004 3.411 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.197 1.980 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.472 1.023 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.932 1.323 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.696 4.269 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.411 3.702 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.603 4.986 3.821 1.00 0.00 H new ATOM 319 N SER A 24 5.875 3.818 3.552 1.00 0.00 N ATOM 320 CA SER A 24 6.654 4.310 2.422 1.00 0.00 C ATOM 321 C SER A 24 5.829 4.278 1.139 1.00 0.00 C ATOM 322 O SER A 24 4.797 3.612 1.051 1.00 0.00 O ATOM 323 CB SER A 24 7.922 3.471 2.246 1.00 0.00 C ATOM 324 OG SER A 24 9.084 4.248 2.486 1.00 0.00 O ATOM 0 H SER A 24 6.322 3.066 4.076 1.00 0.00 H new ATOM 0 HA SER A 24 6.935 5.343 2.628 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.899 2.623 2.931 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.955 3.063 1.236 1.00 0.00 H new ATOM 0 HG SER A 24 9.881 3.690 2.369 1.00 0.00 H new ATOM 330 N PRO A 25 6.293 5.016 0.119 1.00 0.00 N ATOM 331 CA PRO A 25 5.614 5.088 -1.178 1.00 0.00 C ATOM 332 C PRO A 25 5.705 3.780 -1.954 1.00 0.00 C ATOM 333 O PRO A 25 4.778 3.407 -2.674 1.00 0.00 O ATOM 334 CB PRO A 25 6.371 6.199 -1.911 1.00 0.00 C ATOM 335 CG PRO A 25 7.723 6.214 -1.285 1.00 0.00 C ATOM 336 CD PRO A 25 7.517 5.834 0.154 1.00 0.00 C ATOM 0 HA PRO A 25 4.546 5.279 -1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.432 5.997 -2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.871 7.161 -1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.391 5.511 -1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.180 7.200 -1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.365 5.272 0.547 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.395 6.712 0.788 1.00 0.00 H new ATOM 344 N LYS A 26 6.828 3.085 -1.806 1.00 0.00 N ATOM 345 CA LYS A 26 7.040 1.816 -2.491 1.00 0.00 C ATOM 346 C LYS A 26 6.172 0.719 -1.884 1.00 0.00 C ATOM 347 O LYS A 26 5.615 -0.111 -2.603 1.00 0.00 O ATOM 348 CB LYS A 26 8.514 1.413 -2.418 1.00 0.00 C ATOM 349 CG LYS A 26 8.846 0.168 -3.221 1.00 0.00 C ATOM 350 CD LYS A 26 9.284 0.515 -4.634 1.00 0.00 C ATOM 351 CE LYS A 26 10.793 0.412 -4.790 1.00 0.00 C ATOM 352 NZ LYS A 26 11.389 1.686 -5.280 1.00 0.00 N ATOM 0 H LYS A 26 7.606 3.380 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 26 6.756 1.944 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.126 2.240 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.785 1.245 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.638 -0.388 -2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.974 -0.484 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.797 -0.156 -5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.960 1.527 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.240 0.147 -3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.032 -0.392 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.419 1.574 -5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.982 1.926 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.183 2.448 -4.603 1.00 0.00 H new ATOM 366 N GLU A 27 6.061 0.722 -0.560 1.00 0.00 N ATOM 367 CA GLU A 27 5.260 -0.275 0.141 1.00 0.00 C ATOM 368 C GLU A 27 3.879 -0.409 -0.496 1.00 0.00 C ATOM 369 O GLU A 27 3.410 -1.517 -0.757 1.00 0.00 O ATOM 370 CB GLU A 27 5.117 0.100 1.618 1.00 0.00 C ATOM 371 CG GLU A 27 6.081 -0.642 2.529 1.00 0.00 C ATOM 372 CD GLU A 27 5.486 -1.920 3.089 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.876 -2.682 2.311 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.632 -2.157 4.307 1.00 0.00 O ATOM 0 H GLU A 27 6.515 1.403 0.049 1.00 0.00 H new ATOM 0 HA GLU A 27 5.772 -1.234 0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.277 1.172 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.096 -0.105 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.989 -0.880 1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.372 0.010 3.352 1.00 0.00 H new ATOM 381 N ARG A 28 3.234 0.727 -0.743 1.00 0.00 N ATOM 382 CA ARG A 28 1.909 0.737 -1.347 1.00 0.00 C ATOM 383 C ARG A 28 1.889 -0.092 -2.628 1.00 0.00 C ATOM 384 O ARG A 28 0.994 -0.913 -2.836 1.00 0.00 O ATOM 385 CB ARG A 28 1.473 2.172 -1.647 1.00 0.00 C ATOM 386 CG ARG A 28 1.094 2.966 -0.408 1.00 0.00 C ATOM 387 CD ARG A 28 0.370 4.254 -0.771 1.00 0.00 C ATOM 388 NE ARG A 28 -0.937 3.997 -1.370 1.00 0.00 N ATOM 389 CZ ARG A 28 -1.762 4.957 -1.771 1.00 0.00 C ATOM 390 NH1 ARG A 28 -1.418 6.230 -1.639 1.00 0.00 N ATOM 391 NH2 ARG A 28 -2.936 4.643 -2.306 1.00 0.00 N ATOM 0 H ARG A 28 3.609 1.652 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 28 1.210 0.294 -0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.282 2.687 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.622 2.149 -2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.457 2.358 0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.992 3.201 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.245 4.864 0.124 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.981 4.829 -1.467 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.232 3.028 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.517 6.475 -1.228 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.054 6.965 -1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.204 3.664 -2.409 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.570 5.381 -2.614 1.00 0.00 H new ATOM 405 N THR A 29 2.880 0.129 -3.484 1.00 0.00 N ATOM 406 CA THR A 29 2.976 -0.595 -4.746 1.00 0.00 C ATOM 407 C THR A 29 3.352 -2.054 -4.515 1.00 0.00 C ATOM 408 O THR A 29 3.202 -2.893 -5.404 1.00 0.00 O ATOM 409 CB THR A 29 4.014 0.048 -5.686 1.00 0.00 C ATOM 410 OG1 THR A 29 3.473 1.237 -6.272 1.00 0.00 O ATOM 411 CG2 THR A 29 4.426 -0.923 -6.782 1.00 0.00 C ATOM 0 H THR A 29 3.629 0.804 -3.327 1.00 0.00 H new ATOM 0 HA THR A 29 1.993 -0.545 -5.214 1.00 0.00 H new ATOM 0 HB THR A 29 4.896 0.302 -5.099 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.139 1.641 -6.867 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.159 -0.447 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.864 -1.814 -6.333 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.550 -1.205 -7.367 1.00 0.00 H new ATOM 419 N LEU A 30 3.842 -2.352 -3.316 1.00 0.00 N ATOM 420 CA LEU A 30 4.239 -3.711 -2.967 1.00 0.00 C ATOM 421 C LEU A 30 3.055 -4.501 -2.420 1.00 0.00 C ATOM 422 O LEU A 30 2.998 -5.724 -2.548 1.00 0.00 O ATOM 423 CB LEU A 30 5.370 -3.685 -1.938 1.00 0.00 C ATOM 424 CG LEU A 30 6.691 -3.074 -2.407 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.626 -2.855 -1.228 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.347 -3.962 -3.453 1.00 0.00 C ATOM 0 H LEU A 30 3.974 -1.670 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 30 4.592 -4.204 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.027 -3.131 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.561 -4.707 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 30 6.481 -2.106 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.561 -2.420 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.158 -2.178 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.831 -3.810 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.286 -3.512 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.544 -4.945 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.682 -4.067 -4.310 1.00 0.00 H new ATOM 438 N LEU A 31 2.111 -3.794 -1.808 1.00 0.00 N ATOM 439 CA LEU A 31 0.925 -4.428 -1.242 1.00 0.00 C ATOM 440 C LEU A 31 0.309 -5.411 -2.232 1.00 0.00 C ATOM 441 O LEU A 31 -0.108 -6.507 -1.857 1.00 0.00 O ATOM 442 CB LEU A 31 -0.106 -3.368 -0.849 1.00 0.00 C ATOM 443 CG LEU A 31 0.358 -2.327 0.170 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.717 -1.273 0.382 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.719 -2.995 1.489 1.00 0.00 C ATOM 0 H LEU A 31 2.144 -2.781 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 31 1.227 -4.979 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.424 -2.847 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.984 -3.875 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 31 1.249 -1.836 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.370 -0.540 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.928 -0.773 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.625 -1.749 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.047 -2.239 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.154 -3.513 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.523 -3.712 1.325 1.00 0.00 H new ATOM 457 N LYS A 32 0.255 -5.013 -3.498 1.00 0.00 N ATOM 458 CA LYS A 32 -0.307 -5.860 -4.543 1.00 0.00 C ATOM 459 C LYS A 32 0.445 -7.184 -4.635 1.00 0.00 C ATOM 460 O LYS A 32 -0.148 -8.226 -4.907 1.00 0.00 O ATOM 461 CB LYS A 32 -0.259 -5.139 -5.892 1.00 0.00 C ATOM 462 CG LYS A 32 -0.698 -3.687 -5.822 1.00 0.00 C ATOM 463 CD LYS A 32 -1.657 -3.340 -6.950 1.00 0.00 C ATOM 464 CE LYS A 32 -2.179 -1.917 -6.820 1.00 0.00 C ATOM 465 NZ LYS A 32 -1.815 -1.083 -7.998 1.00 0.00 N ATOM 0 H LYS A 32 0.594 -4.108 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.345 -6.070 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.758 -5.184 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.896 -5.669 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.179 -3.497 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.177 -3.038 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.151 -3.457 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.494 -4.038 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.263 -1.937 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.775 -1.463 -5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.189 -0.121 -7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.780 -1.043 -8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.222 -1.502 -8.859 1.00 0.00 H new ATOM 479 N GLU A 33 1.754 -7.133 -4.404 1.00 0.00 N ATOM 480 CA GLU A 33 2.585 -8.329 -4.461 1.00 0.00 C ATOM 481 C GLU A 33 2.266 -9.269 -3.301 1.00 0.00 C ATOM 482 O GLU A 33 2.687 -10.426 -3.293 1.00 0.00 O ATOM 483 CB GLU A 33 4.068 -7.949 -4.431 1.00 0.00 C ATOM 484 CG GLU A 33 4.423 -6.812 -5.374 1.00 0.00 C ATOM 485 CD GLU A 33 5.917 -6.693 -5.608 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.692 -7.103 -4.718 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.310 -6.191 -6.682 1.00 0.00 O ATOM 0 H GLU A 33 2.260 -6.277 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 33 2.369 -8.846 -5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.342 -7.666 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.664 -8.824 -4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.921 -6.967 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.047 -5.874 -4.964 1.00 0.00 H new ATOM 494 N ASP A 34 1.523 -8.762 -2.325 1.00 0.00 N ATOM 495 CA ASP A 34 1.146 -9.555 -1.160 1.00 0.00 C ATOM 496 C ASP A 34 -0.246 -10.151 -1.336 1.00 0.00 C ATOM 497 O ASP A 34 -1.142 -9.541 -1.920 1.00 0.00 O ATOM 498 CB ASP A 34 1.190 -8.695 0.105 1.00 0.00 C ATOM 499 CG ASP A 34 1.854 -9.409 1.266 1.00 0.00 C ATOM 500 OD1 ASP A 34 3.055 -9.730 1.157 1.00 0.00 O ATOM 501 OD2 ASP A 34 1.171 -9.644 2.285 1.00 0.00 O ATOM 0 H ASP A 34 1.169 -7.805 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 34 1.861 -10.371 -1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.728 -7.771 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.175 -8.415 0.387 1.00 0.00 H new ATOM 506 N PRO A 35 -0.436 -11.374 -0.820 1.00 0.00 N ATOM 507 CA PRO A 35 -1.717 -12.082 -0.907 1.00 0.00 C ATOM 508 C PRO A 35 -2.793 -11.441 -0.038 1.00 0.00 C ATOM 509 O PRO A 35 -3.973 -11.447 -0.387 1.00 0.00 O ATOM 510 CB PRO A 35 -1.384 -13.485 -0.397 1.00 0.00 C ATOM 511 CG PRO A 35 -0.201 -13.296 0.488 1.00 0.00 C ATOM 512 CD PRO A 35 0.586 -12.161 -0.110 1.00 0.00 C ATOM 0 HA PRO A 35 -2.122 -12.067 -1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.222 -13.917 0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.158 -14.162 -1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.509 -13.063 1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.399 -14.204 0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.086 -11.571 0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.359 -12.522 -0.789 1.00 0.00 H new ATOM 520 N ALA A 36 -2.379 -10.888 1.098 1.00 0.00 N ATOM 521 CA ALA A 36 -3.308 -10.240 2.016 1.00 0.00 C ATOM 522 C ALA A 36 -4.093 -9.138 1.316 1.00 0.00 C ATOM 523 O ALA A 36 -5.201 -8.793 1.728 1.00 0.00 O ATOM 524 CB ALA A 36 -2.558 -9.678 3.215 1.00 0.00 C ATOM 0 H ALA A 36 -1.406 -10.876 1.404 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.019 -10.989 2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.263 -9.197 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.048 -10.487 3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.825 -8.947 2.875 1.00 0.00 H new ATOM 530 N TYR A 37 -3.512 -8.585 0.256 1.00 0.00 N ATOM 531 CA TYR A 37 -4.158 -7.518 -0.500 1.00 0.00 C ATOM 532 C TYR A 37 -4.442 -7.961 -1.932 1.00 0.00 C ATOM 533 O TYR A 37 -4.073 -7.279 -2.888 1.00 0.00 O ATOM 534 CB TYR A 37 -3.280 -6.266 -0.505 1.00 0.00 C ATOM 535 CG TYR A 37 -2.663 -5.954 0.839 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.420 -5.394 1.860 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.321 -6.217 1.088 1.00 0.00 C ATOM 538 CE1 TYR A 37 -2.860 -5.105 3.089 1.00 0.00 C ATOM 539 CE2 TYR A 37 -0.753 -5.934 2.315 1.00 0.00 C ATOM 540 CZ TYR A 37 -1.527 -5.378 3.313 1.00 0.00 C ATOM 541 OH TYR A 37 -0.964 -5.094 4.535 1.00 0.00 O ATOM 0 H TYR A 37 -2.595 -8.858 -0.099 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.107 -7.286 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.485 -6.393 -1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.879 -5.414 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.465 -5.181 1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.712 -6.650 0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.463 -4.667 3.871 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.291 -6.147 2.492 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.018 -5.348 4.526 1.00 0.00 H new ATOM 551 N TRP A 38 -5.099 -9.105 -2.071 1.00 0.00 N ATOM 552 CA TRP A 38 -5.435 -9.640 -3.386 1.00 0.00 C ATOM 553 C TRP A 38 -6.617 -8.892 -3.992 1.00 0.00 C ATOM 554 O TRP A 38 -6.745 -8.798 -5.213 1.00 0.00 O ATOM 555 CB TRP A 38 -5.755 -11.132 -3.287 1.00 0.00 C ATOM 556 CG TRP A 38 -6.945 -11.428 -2.424 1.00 0.00 C ATOM 557 CD1 TRP A 38 -6.931 -11.932 -1.155 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.321 -11.240 -2.769 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.216 -12.068 -0.690 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.088 -11.650 -1.661 1.00 0.00 C ATOM 561 CE3 TRP A 38 -8.981 -10.762 -3.905 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.479 -11.597 -1.658 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.362 -10.711 -3.900 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.099 -11.126 -2.783 1.00 0.00 C ATOM 0 H TRP A 38 -5.410 -9.681 -1.289 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.571 -9.505 -4.037 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.934 -11.525 -4.288 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.887 -11.657 -2.889 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.041 -12.186 -0.599 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.479 -12.423 0.229 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.422 -10.439 -4.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.049 -11.916 -0.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.882 -10.345 -4.773 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.177 -11.073 -2.811 1.00 0.00 H new ATOM 575 N PHE A 39 -7.480 -8.362 -3.132 1.00 0.00 N ATOM 576 CA PHE A 39 -8.653 -7.623 -3.584 1.00 0.00 C ATOM 577 C PHE A 39 -8.245 -6.375 -4.360 1.00 0.00 C ATOM 578 O PHE A 39 -9.004 -5.867 -5.187 1.00 0.00 O ATOM 579 CB PHE A 39 -9.526 -7.231 -2.390 1.00 0.00 C ATOM 580 CG PHE A 39 -8.753 -6.608 -1.262 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.314 -5.297 -1.346 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.467 -7.334 -0.117 1.00 0.00 C ATOM 583 CE1 PHE A 39 -7.603 -4.721 -0.310 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.757 -6.763 0.922 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.324 -5.456 0.826 1.00 0.00 C ATOM 0 H PHE A 39 -7.389 -8.430 -2.118 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.225 -8.271 -4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.293 -6.532 -2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.042 -8.117 -2.021 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.530 -4.718 -2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.803 -8.357 -0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.266 -3.698 -0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.541 -7.340 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.768 -5.009 1.637 1.00 0.00 H new ATOM 595 N LEU A 40 -7.040 -5.885 -4.090 1.00 0.00 N ATOM 596 CA LEU A 40 -6.528 -4.696 -4.762 1.00 0.00 C ATOM 597 C LEU A 40 -6.817 -4.751 -6.260 1.00 0.00 C ATOM 598 O LEU A 40 -7.328 -3.793 -6.839 1.00 0.00 O ATOM 599 CB LEU A 40 -5.022 -4.560 -4.527 1.00 0.00 C ATOM 600 CG LEU A 40 -4.604 -4.025 -3.156 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.088 -3.975 -3.043 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.204 -2.647 -2.917 1.00 0.00 C ATOM 0 H LEU A 40 -6.399 -6.293 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.034 -3.826 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.562 -5.538 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.613 -3.901 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.983 -4.703 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.809 -3.592 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.680 -4.978 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.687 -3.319 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.897 -2.281 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.854 -1.959 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.291 -2.712 -2.955 1.00 0.00 H new ATOM 614 N SER A 41 -6.487 -5.879 -6.879 1.00 0.00 N ATOM 615 CA SER A 41 -6.708 -6.058 -8.310 1.00 0.00 C ATOM 616 C SER A 41 -8.201 -6.088 -8.628 1.00 0.00 C ATOM 617 O SER A 41 -8.642 -5.536 -9.636 1.00 0.00 O ATOM 618 CB SER A 41 -6.047 -7.351 -8.791 1.00 0.00 C ATOM 619 OG SER A 41 -4.651 -7.329 -8.555 1.00 0.00 O ATOM 0 H SER A 41 -6.066 -6.683 -6.413 1.00 0.00 H new ATOM 0 HA SER A 41 -6.259 -5.213 -8.832 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.492 -8.203 -8.278 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.237 -7.486 -9.856 1.00 0.00 H new ATOM 0 HG SER A 41 -4.253 -8.167 -8.870 1.00 0.00 H new ATOM 625 N ASP A 42 -8.972 -6.735 -7.761 1.00 0.00 N ATOM 626 CA ASP A 42 -10.414 -6.835 -7.948 1.00 0.00 C ATOM 627 C ASP A 42 -11.096 -5.506 -7.643 1.00 0.00 C ATOM 628 O ASP A 42 -10.608 -4.719 -6.832 1.00 0.00 O ATOM 629 CB ASP A 42 -10.990 -7.935 -7.053 1.00 0.00 C ATOM 630 CG ASP A 42 -12.271 -8.523 -7.612 1.00 0.00 C ATOM 631 OD1 ASP A 42 -12.200 -9.230 -8.638 1.00 0.00 O ATOM 632 OD2 ASP A 42 -13.344 -8.276 -7.022 1.00 0.00 O ATOM 0 H ASP A 42 -8.622 -7.198 -6.922 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.603 -7.088 -8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.251 -8.727 -6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.183 -7.528 -6.060 1.00 0.00 H new ATOM 637 N GLU A 43 -12.225 -5.261 -8.301 1.00 0.00 N ATOM 638 CA GLU A 43 -12.972 -4.024 -8.102 1.00 0.00 C ATOM 639 C GLU A 43 -14.419 -4.320 -7.718 1.00 0.00 C ATOM 640 O GLU A 43 -15.039 -3.566 -6.969 1.00 0.00 O ATOM 641 CB GLU A 43 -12.933 -3.168 -9.369 1.00 0.00 C ATOM 642 CG GLU A 43 -11.658 -2.357 -9.516 1.00 0.00 C ATOM 643 CD GLU A 43 -11.868 -1.075 -10.299 1.00 0.00 C ATOM 644 OE1 GLU A 43 -12.849 -0.358 -10.009 1.00 0.00 O ATOM 645 OE2 GLU A 43 -11.054 -0.790 -11.202 1.00 0.00 O ATOM 0 H GLU A 43 -12.642 -5.902 -8.976 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.503 -3.473 -7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.044 -3.816 -10.239 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.787 -2.490 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.270 -2.114 -8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.902 -2.963 -10.015 1.00 0.00 H new ATOM 652 N ASN A 44 -14.951 -5.421 -8.238 1.00 0.00 N ATOM 653 CA ASN A 44 -16.325 -5.816 -7.951 1.00 0.00 C ATOM 654 C ASN A 44 -16.391 -6.685 -6.699 1.00 0.00 C ATOM 655 O ASN A 44 -16.983 -7.764 -6.711 1.00 0.00 O ATOM 656 CB ASN A 44 -16.919 -6.572 -9.142 1.00 0.00 C ATOM 657 CG ASN A 44 -17.180 -5.666 -10.330 1.00 0.00 C ATOM 658 OD1 ASN A 44 -16.954 -4.457 -10.264 1.00 0.00 O ATOM 659 ND2 ASN A 44 -17.658 -6.248 -11.423 1.00 0.00 N ATOM 0 H ASN A 44 -14.451 -6.056 -8.861 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.908 -4.912 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.238 -7.369 -9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -17.852 -7.047 -8.839 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -17.853 -5.690 -12.254 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -17.830 -7.253 -11.432 1.00 0.00 H new ATOM 666 N SER A 45 -15.781 -6.205 -5.620 1.00 0.00 N ATOM 667 CA SER A 45 -15.768 -6.938 -4.360 1.00 0.00 C ATOM 668 C SER A 45 -16.030 -6.002 -3.183 1.00 0.00 C ATOM 669 O SER A 45 -16.333 -4.823 -3.369 1.00 0.00 O ATOM 670 CB SER A 45 -14.426 -7.648 -4.172 1.00 0.00 C ATOM 671 OG SER A 45 -13.361 -6.716 -4.109 1.00 0.00 O ATOM 0 H SER A 45 -15.289 -5.312 -5.593 1.00 0.00 H new ATOM 0 HA SER A 45 -16.564 -7.682 -4.394 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.449 -8.241 -3.257 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.259 -8.341 -4.997 1.00 0.00 H new ATOM 0 HG SER A 45 -12.514 -7.194 -3.987 1.00 0.00 H new ATOM 677 N LEU A 46 -15.911 -6.537 -1.973 1.00 0.00 N ATOM 678 CA LEU A 46 -16.135 -5.751 -0.765 1.00 0.00 C ATOM 679 C LEU A 46 -14.817 -5.228 -0.203 1.00 0.00 C ATOM 680 O LEU A 46 -14.673 -4.035 0.061 1.00 0.00 O ATOM 681 CB LEU A 46 -16.854 -6.594 0.290 1.00 0.00 C ATOM 682 CG LEU A 46 -16.625 -6.186 1.746 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.284 -6.706 2.241 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.699 -4.673 1.894 1.00 0.00 C ATOM 0 H LEU A 46 -15.661 -7.511 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.761 -4.898 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.924 -6.557 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.542 -7.632 0.171 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.412 -6.630 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.138 -6.406 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.268 -7.794 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.484 -6.291 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.534 -4.401 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.934 -4.209 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.683 -4.324 1.580 1.00 0.00 H new ATOM 696 N GLU A 47 -13.857 -6.131 -0.024 1.00 0.00 N ATOM 697 CA GLU A 47 -12.549 -5.759 0.504 1.00 0.00 C ATOM 698 C GLU A 47 -11.954 -4.595 -0.283 1.00 0.00 C ATOM 699 O GLU A 47 -11.158 -3.818 0.244 1.00 0.00 O ATOM 700 CB GLU A 47 -11.598 -6.957 0.462 1.00 0.00 C ATOM 701 CG GLU A 47 -11.875 -7.992 1.541 1.00 0.00 C ATOM 702 CD GLU A 47 -10.766 -8.070 2.571 1.00 0.00 C ATOM 703 OE1 GLU A 47 -9.614 -8.353 2.184 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.052 -7.847 3.767 1.00 0.00 O ATOM 0 H GLU A 47 -13.960 -7.123 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.680 -5.444 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.671 -7.434 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.573 -6.601 0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.813 -7.749 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.005 -8.970 1.077 1.00 0.00 H new ATOM 711 N TYR A 48 -12.346 -4.482 -1.547 1.00 0.00 N ATOM 712 CA TYR A 48 -11.850 -3.416 -2.408 1.00 0.00 C ATOM 713 C TYR A 48 -12.706 -2.160 -2.269 1.00 0.00 C ATOM 714 O TYR A 48 -12.237 -1.046 -2.502 1.00 0.00 O ATOM 715 CB TYR A 48 -11.833 -3.876 -3.867 1.00 0.00 C ATOM 716 CG TYR A 48 -11.391 -2.803 -4.835 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.293 -1.866 -5.325 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.070 -2.726 -5.262 1.00 0.00 C ATOM 719 CE1 TYR A 48 -11.893 -0.884 -6.211 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.661 -1.746 -6.145 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.575 -0.828 -6.618 1.00 0.00 C ATOM 722 OH TYR A 48 -10.172 0.148 -7.499 1.00 0.00 O ATOM 0 H TYR A 48 -13.006 -5.116 -1.998 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.833 -3.177 -2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.168 -4.734 -3.961 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.831 -4.215 -4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.325 -1.906 -5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.351 -3.445 -4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.607 -0.164 -6.583 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.630 -1.699 -6.464 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.214 0.048 -7.682 1.00 0.00 H new ATOM 732 N LYS A 49 -13.964 -2.350 -1.885 1.00 0.00 N ATOM 733 CA LYS A 49 -14.886 -1.234 -1.711 1.00 0.00 C ATOM 734 C LYS A 49 -14.434 -0.325 -0.573 1.00 0.00 C ATOM 735 O LYS A 49 -14.791 0.852 -0.527 1.00 0.00 O ATOM 736 CB LYS A 49 -16.299 -1.753 -1.433 1.00 0.00 C ATOM 737 CG LYS A 49 -17.244 -1.608 -2.613 1.00 0.00 C ATOM 738 CD LYS A 49 -18.202 -2.784 -2.709 1.00 0.00 C ATOM 739 CE LYS A 49 -18.406 -3.223 -4.150 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.339 -2.319 -4.879 1.00 0.00 N ATOM 0 H LYS A 49 -14.368 -3.266 -1.689 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.892 -0.654 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.242 -2.804 -1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.713 -1.216 -0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.811 -0.683 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.667 -1.531 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.814 -3.619 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.162 -2.509 -2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.445 -3.243 -4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.798 -4.240 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.452 -2.652 -5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.264 -2.319 -4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.953 -1.353 -4.885 1.00 0.00 H new ATOM 754 N TYR A 50 -13.646 -0.878 0.342 1.00 0.00 N ATOM 755 CA TYR A 50 -13.145 -0.118 1.480 1.00 0.00 C ATOM 756 C TYR A 50 -11.892 0.667 1.103 1.00 0.00 C ATOM 757 O TYR A 50 -11.851 1.890 1.229 1.00 0.00 O ATOM 758 CB TYR A 50 -12.841 -1.054 2.651 1.00 0.00 C ATOM 759 CG TYR A 50 -14.072 -1.485 3.416 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.249 -1.808 2.751 1.00 0.00 C ATOM 761 CD2 TYR A 50 -14.059 -1.571 4.803 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.376 -2.202 3.446 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.180 -1.966 5.505 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.336 -2.281 4.822 1.00 0.00 C ATOM 765 OH TYR A 50 -17.456 -2.674 5.519 1.00 0.00 O ATOM 0 H TYR A 50 -13.340 -1.851 0.317 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.918 0.590 1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.329 -1.939 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.154 -0.556 3.335 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.283 -1.750 1.673 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.156 -1.324 5.341 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.284 -2.447 2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.152 -2.028 6.583 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.987 -3.285 4.967 1.00 0.00 H new ATOM 775 N TYR A 51 -10.873 -0.048 0.639 1.00 0.00 N ATOM 776 CA TYR A 51 -9.618 0.579 0.244 1.00 0.00 C ATOM 777 C TYR A 51 -9.872 1.834 -0.587 1.00 0.00 C ATOM 778 O TYR A 51 -9.094 2.787 -0.548 1.00 0.00 O ATOM 779 CB TYR A 51 -8.758 -0.406 -0.550 1.00 0.00 C ATOM 780 CG TYR A 51 -7.513 0.216 -1.142 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.431 0.552 -0.339 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.421 0.467 -2.506 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.292 1.121 -0.876 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.286 1.034 -3.052 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.224 1.360 -2.232 1.00 0.00 C ATOM 786 OH TYR A 51 -4.092 1.926 -2.771 1.00 0.00 O ATOM 0 H TYR A 51 -10.892 -1.062 0.527 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.086 0.867 1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.467 -1.229 0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.358 -0.833 -1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.481 0.365 0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.251 0.215 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.460 1.377 -0.237 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.230 1.221 -4.114 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.206 2.026 -3.739 1.00 0.00 H new ATOM 796 N LYS A 52 -10.969 1.825 -1.338 1.00 0.00 N ATOM 797 CA LYS A 52 -11.330 2.961 -2.177 1.00 0.00 C ATOM 798 C LYS A 52 -12.190 3.957 -1.405 1.00 0.00 C ATOM 799 O LYS A 52 -11.992 5.169 -1.500 1.00 0.00 O ATOM 800 CB LYS A 52 -12.079 2.482 -3.422 1.00 0.00 C ATOM 801 CG LYS A 52 -11.177 1.861 -4.475 1.00 0.00 C ATOM 802 CD LYS A 52 -10.233 2.890 -5.076 1.00 0.00 C ATOM 803 CE LYS A 52 -10.667 3.293 -6.477 1.00 0.00 C ATOM 804 NZ LYS A 52 -11.406 4.586 -6.478 1.00 0.00 N ATOM 0 H LYS A 52 -11.623 1.043 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.411 3.462 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.831 1.752 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.610 3.326 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.599 1.052 -4.029 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.787 1.420 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.200 3.772 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.223 2.482 -5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.790 3.375 -7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.300 2.513 -6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.685 4.826 -7.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.256 4.500 -5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.794 5.336 -6.098 1.00 0.00 H new ATOM 818 N LEU A 53 -13.143 3.439 -0.638 1.00 0.00 N ATOM 819 CA LEU A 53 -14.031 4.283 0.152 1.00 0.00 C ATOM 820 C LEU A 53 -13.308 4.843 1.373 1.00 0.00 C ATOM 821 O LEU A 53 -13.034 6.041 1.449 1.00 0.00 O ATOM 822 CB LEU A 53 -15.262 3.488 0.595 1.00 0.00 C ATOM 823 CG LEU A 53 -16.080 4.096 1.734 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.621 3.545 3.075 1.00 0.00 C ATOM 825 CD2 LEU A 53 -15.974 5.615 1.715 1.00 0.00 C ATOM 0 H LEU A 53 -13.320 2.439 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.349 5.117 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.916 3.360 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.937 2.493 0.899 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.125 3.822 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.215 3.990 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.749 2.463 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.569 3.787 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.563 6.031 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.931 5.908 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.353 5.994 0.766 1.00 0.00 H new ATOM 837 N LYS A 54 -13.000 3.969 2.325 1.00 0.00 N ATOM 838 CA LYS A 54 -12.305 4.374 3.540 1.00 0.00 C ATOM 839 C LYS A 54 -11.192 5.368 3.225 1.00 0.00 C ATOM 840 O LYS A 54 -10.857 6.223 4.046 1.00 0.00 O ATOM 841 CB LYS A 54 -11.723 3.150 4.252 1.00 0.00 C ATOM 842 CG LYS A 54 -11.793 3.237 5.767 1.00 0.00 C ATOM 843 CD LYS A 54 -13.190 2.931 6.279 1.00 0.00 C ATOM 844 CE LYS A 54 -13.346 3.327 7.740 1.00 0.00 C ATOM 845 NZ LYS A 54 -14.466 2.596 8.395 1.00 0.00 N ATOM 0 H LYS A 54 -13.221 2.974 2.278 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.027 4.860 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.259 2.260 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.683 3.026 3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.082 2.537 6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.497 4.235 6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.925 3.464 5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.396 1.867 6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.418 3.122 8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.523 4.400 7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.875 3.188 9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.198 2.378 7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.109 1.711 8.808 1.00 0.00 H new ATOM 859 N LEU A 55 -10.623 5.252 2.031 1.00 0.00 N ATOM 860 CA LEU A 55 -9.548 6.142 1.605 1.00 0.00 C ATOM 861 C LEU A 55 -10.084 7.537 1.299 1.00 0.00 C ATOM 862 O LEU A 55 -9.486 8.541 1.684 1.00 0.00 O ATOM 863 CB LEU A 55 -8.843 5.572 0.372 1.00 0.00 C ATOM 864 CG LEU A 55 -7.637 6.362 -0.137 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.576 6.473 0.946 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.062 5.709 -1.385 1.00 0.00 C ATOM 0 H LEU A 55 -10.888 4.550 1.340 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.830 6.220 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.517 4.558 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.571 5.498 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.968 7.368 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.725 7.038 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.993 6.985 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.247 5.475 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.204 6.284 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.746 4.692 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.823 5.682 -2.165 1.00 0.00 H new ATOM 878 N ALA A 56 -11.216 7.590 0.606 1.00 0.00 N ATOM 879 CA ALA A 56 -11.836 8.861 0.252 1.00 0.00 C ATOM 880 C ALA A 56 -12.304 9.608 1.495 1.00 0.00 C ATOM 881 O ALA A 56 -11.916 10.753 1.725 1.00 0.00 O ATOM 882 CB ALA A 56 -13.000 8.633 -0.701 1.00 0.00 C ATOM 0 H ALA A 56 -11.723 6.768 0.278 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.088 9.476 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.454 9.591 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.638 8.149 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.743 7.996 -0.222 1.00 0.00 H new ATOM 888 N GLU A 57 -13.142 8.953 2.293 1.00 0.00 N ATOM 889 CA GLU A 57 -13.665 9.558 3.512 1.00 0.00 C ATOM 890 C GLU A 57 -12.531 9.943 4.458 1.00 0.00 C ATOM 891 O GLU A 57 -12.664 10.867 5.260 1.00 0.00 O ATOM 892 CB GLU A 57 -14.624 8.595 4.215 1.00 0.00 C ATOM 893 CG GLU A 57 -13.958 7.318 4.700 1.00 0.00 C ATOM 894 CD GLU A 57 -14.778 6.595 5.750 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.940 6.240 5.457 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.259 6.383 6.866 1.00 0.00 O ATOM 0 H GLU A 57 -13.473 8.004 2.117 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.207 10.462 3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.078 9.104 5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.432 8.336 3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.794 6.654 3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.978 7.558 5.112 1.00 0.00 H new ATOM 903 N MET A 58 -11.415 9.228 4.356 1.00 0.00 N ATOM 904 CA MET A 58 -10.257 9.496 5.202 1.00 0.00 C ATOM 905 C MET A 58 -9.419 10.636 4.633 1.00 0.00 C ATOM 906 O MET A 58 -8.850 11.431 5.379 1.00 0.00 O ATOM 907 CB MET A 58 -9.399 8.236 5.340 1.00 0.00 C ATOM 908 CG MET A 58 -9.984 7.204 6.289 1.00 0.00 C ATOM 909 SD MET A 58 -9.632 7.573 8.019 1.00 0.00 S ATOM 910 CE MET A 58 -7.915 7.079 8.130 1.00 0.00 C ATOM 0 H MET A 58 -11.288 8.460 3.697 1.00 0.00 H new ATOM 0 HA MET A 58 -10.618 9.792 6.187 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.273 7.783 4.357 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.406 8.519 5.691 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.063 7.154 6.145 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.583 6.221 6.042 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.816 6.266 8.849 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.569 6.743 7.152 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.313 7.927 8.456 1.00 0.00 H new ATOM 920 N GLN A 59 -9.351 10.709 3.307 1.00 0.00 N ATOM 921 CA GLN A 59 -8.582 11.752 2.639 1.00 0.00 C ATOM 922 C GLN A 59 -9.253 13.112 2.802 1.00 0.00 C ATOM 923 O GLN A 59 -8.580 14.131 2.962 1.00 0.00 O ATOM 924 CB GLN A 59 -8.421 11.424 1.153 1.00 0.00 C ATOM 925 CG GLN A 59 -7.223 10.539 0.852 1.00 0.00 C ATOM 926 CD GLN A 59 -6.645 10.788 -0.528 1.00 0.00 C ATOM 927 OE1 GLN A 59 -6.692 9.773 -1.381 1.00 0.00 O flip ATOM 928 NE2 GLN A 59 -6.161 11.882 -0.822 1.00 0.00 N flip ATOM 0 H GLN A 59 -9.819 10.059 2.675 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.597 11.796 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.326 10.930 0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.325 12.354 0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.451 10.712 1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.519 9.493 0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.146 12.635 -0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.775 12.035 -1.754 1.00 0.00 H new ATOM 937 N ARG A 60 -10.581 13.120 2.762 1.00 0.00 N ATOM 938 CA ARG A 60 -11.342 14.354 2.904 1.00 0.00 C ATOM 939 C ARG A 60 -11.188 14.930 4.309 1.00 0.00 C ATOM 940 O ARG A 60 -11.021 16.138 4.480 1.00 0.00 O ATOM 941 CB ARG A 60 -12.821 14.104 2.604 1.00 0.00 C ATOM 942 CG ARG A 60 -13.471 13.097 3.540 1.00 0.00 C ATOM 943 CD ARG A 60 -14.978 13.052 3.351 1.00 0.00 C ATOM 944 NE ARG A 60 -15.656 14.098 4.113 1.00 0.00 N ATOM 945 CZ ARG A 60 -16.961 14.333 4.037 1.00 0.00 C ATOM 946 NH1 ARG A 60 -17.725 13.601 3.239 1.00 0.00 N ATOM 947 NH2 ARG A 60 -17.505 15.303 4.762 1.00 0.00 N ATOM 0 H ARG A 60 -11.152 12.285 2.632 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.950 15.077 2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.361 15.049 2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.920 13.750 1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.051 12.107 3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.241 13.358 4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.214 13.163 2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.353 12.077 3.661 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.097 14.679 4.737 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -17.311 12.854 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -18.727 13.784 3.183 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.921 15.868 5.378 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.507 15.483 4.703 1.00 0.00 H new ATOM 961 N SER A 61 -11.244 14.058 5.309 1.00 0.00 N ATOM 962 CA SER A 61 -11.114 14.480 6.699 1.00 0.00 C ATOM 963 C SER A 61 -9.948 15.450 6.866 1.00 0.00 C ATOM 964 O SER A 61 -10.081 16.497 7.497 1.00 0.00 O ATOM 965 CB SER A 61 -10.915 13.265 7.607 1.00 0.00 C ATOM 966 OG SER A 61 -11.959 13.164 8.561 1.00 0.00 O ATOM 0 H SER A 61 -11.378 13.055 5.184 1.00 0.00 H new ATOM 0 HA SER A 61 -12.033 14.991 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.881 12.358 7.004 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.956 13.343 8.120 1.00 0.00 H new ATOM 0 HG SER A 61 -11.809 12.379 9.128 1.00 0.00 H new ATOM 972 N GLY A 62 -8.802 15.091 6.294 1.00 0.00 N ATOM 973 CA GLY A 62 -7.627 15.940 6.390 1.00 0.00 C ATOM 974 C GLY A 62 -7.387 16.742 5.128 1.00 0.00 C ATOM 975 O GLY A 62 -8.295 16.967 4.326 1.00 0.00 O ATOM 0 H GLY A 62 -8.666 14.229 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.743 16.621 7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.753 15.323 6.596 1.00 0.00 H new ATOM 979 N PRO A 63 -6.137 17.190 4.936 1.00 0.00 N ATOM 980 CA PRO A 63 -5.751 17.979 3.763 1.00 0.00 C ATOM 981 C PRO A 63 -5.755 17.154 2.481 1.00 0.00 C ATOM 982 O PRO A 63 -5.109 16.110 2.401 1.00 0.00 O ATOM 983 CB PRO A 63 -4.329 18.438 4.097 1.00 0.00 C ATOM 984 CG PRO A 63 -3.816 17.417 5.052 1.00 0.00 C ATOM 985 CD PRO A 63 -5.006 16.960 5.849 1.00 0.00 C ATOM 0 HA PRO A 63 -6.446 18.797 3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.709 18.490 3.202 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.329 19.433 4.543 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.358 16.582 4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.050 17.841 5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.923 15.910 6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.113 17.529 6.773 1.00 0.00 H new ATOM 993 N SER A 64 -6.489 17.629 1.480 1.00 0.00 N ATOM 994 CA SER A 64 -6.581 16.933 0.201 1.00 0.00 C ATOM 995 C SER A 64 -5.724 17.622 -0.855 1.00 0.00 C ATOM 996 O SER A 64 -5.924 18.797 -1.164 1.00 0.00 O ATOM 997 CB SER A 64 -8.037 16.871 -0.266 1.00 0.00 C ATOM 998 OG SER A 64 -8.576 18.172 -0.426 1.00 0.00 O ATOM 0 H SER A 64 -7.029 18.493 1.530 1.00 0.00 H new ATOM 0 HA SER A 64 -6.208 15.918 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.097 16.330 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.631 16.314 0.458 1.00 0.00 H new ATOM 0 HG SER A 64 -7.860 18.795 -0.671 1.00 0.00 H new ATOM 1004 N SER A 65 -4.768 16.881 -1.408 1.00 0.00 N ATOM 1005 CA SER A 65 -3.878 17.421 -2.429 1.00 0.00 C ATOM 1006 C SER A 65 -3.982 16.619 -3.721 1.00 0.00 C ATOM 1007 O SER A 65 -3.481 15.498 -3.812 1.00 0.00 O ATOM 1008 CB SER A 65 -2.431 17.416 -1.927 1.00 0.00 C ATOM 1009 OG SER A 65 -1.735 18.569 -2.368 1.00 0.00 O ATOM 0 H SER A 65 -4.590 15.906 -1.166 1.00 0.00 H new ATOM 0 HA SER A 65 -4.182 18.447 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.421 17.375 -0.838 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.922 16.521 -2.284 1.00 0.00 H new ATOM 0 HG SER A 65 -0.814 18.543 -2.033 1.00 0.00 H new ATOM 1015 N GLY A 66 -4.637 17.200 -4.722 1.00 0.00 N ATOM 1016 CA GLY A 66 -4.797 16.525 -5.996 1.00 0.00 C ATOM 1017 C GLY A 66 -3.484 16.001 -6.543 1.00 0.00 C ATOM 1018 O GLY A 66 -2.521 16.753 -6.690 1.00 0.00 O ATOM 0 H GLY A 66 -5.060 18.127 -4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.495 15.696 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.238 17.214 -6.716 1.00 0.00 H new TER 1022 GLY A 66