USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 906 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 3 THR OG1 : rot 33:sc= 0.16 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 11 THR OG1 : rot 80:sc= -0.234 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= 0.405 (180deg=0.188) USER MOD Single : A 25 ASN : amide:sc= -2.88! X(o=-2.9!,f=-2.8) USER MOD Single : A 31 GLN : amide:sc= -10.2! C(o=-10!,f=-4.9!) USER MOD Single : A 32 SER OG : rot 74:sc= -0.152 USER MOD Single : A 37 THR OG1 : rot 136:sc= 0.71 USER MOD Single : A 42 ASN : amide:sc= -3.42! C(o=-3.4!,f=-9.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0307 K(o=-0.031,f=-1.4!) USER MOD Single : A 60 ASN : amide:sc= -0.302 K(o=-0.3,f=-4.3!) USER MOD Single : A 63 GLN : amide:sc= -3.27! C(o=-3.3!,f=-1.8!) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.216) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -0.283 K(o=-0.28,f=-0.88) USER MOD Single : A 77 TYR OH : rot 111:sc= 0.783 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -123:sc= 0.0917 (180deg=0) USER MOD Single : A 85 MET CE :methyl 152:sc= -0.215 (180deg=-1.12) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0585 USER MOD Single : A 90 SER OG : rot 92:sc= 1.27 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0923 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0.0454 K(o=0.045,f=-6.4!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0.755 K(o=0.76,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.249 K(o=0.02,f=-5.5!) USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.206 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -16.761 10.069 -2.166 1.00 0.00 N ATOM 31 CA THR A 3 -15.477 9.514 -2.555 1.00 0.00 C ATOM 32 C THR A 3 -15.641 8.045 -2.952 1.00 0.00 C ATOM 33 O THR A 3 -16.537 7.356 -2.464 1.00 0.00 O ATOM 34 CB THR A 3 -14.474 9.653 -1.389 1.00 0.00 C ATOM 35 OG1 THR A 3 -14.404 11.026 -0.981 1.00 0.00 O ATOM 36 CG2 THR A 3 -13.083 9.178 -1.784 1.00 0.00 C ATOM 0 HA THR A 3 -15.092 10.063 -3.414 1.00 0.00 H new ATOM 0 HB THR A 3 -14.826 9.028 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.280 11.448 -1.101 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.406 9.292 -0.938 1.00 0.00 H new ATOM 0 HG22 THR A 3 -13.126 8.129 -2.076 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.720 9.773 -2.622 1.00 0.00 H new ATOM 44 N ILE A 4 -14.781 7.583 -3.860 1.00 0.00 N ATOM 45 CA ILE A 4 -14.848 6.218 -4.392 1.00 0.00 C ATOM 46 C ILE A 4 -14.829 5.146 -3.298 1.00 0.00 C ATOM 47 O ILE A 4 -15.261 4.018 -3.522 1.00 0.00 O ATOM 48 CB ILE A 4 -13.717 5.955 -5.419 1.00 0.00 C ATOM 49 CG1 ILE A 4 -12.365 6.521 -4.953 1.00 0.00 C ATOM 50 CG2 ILE A 4 -14.091 6.552 -6.764 1.00 0.00 C ATOM 51 CD1 ILE A 4 -11.699 5.730 -3.850 1.00 0.00 C ATOM 0 H ILE A 4 -14.020 8.141 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 4 -15.810 6.143 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 4 -13.605 4.875 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -11.691 6.566 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -12.513 7.545 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -13.292 6.363 -7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -15.014 6.095 -7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -14.236 7.627 -6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.752 6.201 -3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.350 5.706 -2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.514 4.712 -4.193 1.00 0.00 H new ATOM 63 N VAL A 5 -14.320 5.505 -2.126 1.00 0.00 N ATOM 64 CA VAL A 5 -14.315 4.616 -0.974 1.00 0.00 C ATOM 65 C VAL A 5 -15.573 4.827 -0.138 1.00 0.00 C ATOM 66 O VAL A 5 -16.110 3.897 0.451 1.00 0.00 O ATOM 67 CB VAL A 5 -13.070 4.853 -0.093 1.00 0.00 C ATOM 68 CG1 VAL A 5 -12.796 6.333 0.063 1.00 0.00 C ATOM 69 CG2 VAL A 5 -13.243 4.200 1.257 1.00 0.00 C ATOM 0 H VAL A 5 -13.901 6.418 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.290 3.592 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.212 4.398 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.914 6.476 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.622 6.776 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.654 6.815 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.355 4.378 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -14.115 4.623 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.384 3.127 1.127 1.00 0.00 H new ATOM 79 N ASP A 6 -16.027 6.070 -0.098 1.00 0.00 N ATOM 80 CA ASP A 6 -17.216 6.450 0.658 1.00 0.00 C ATOM 81 C ASP A 6 -18.392 5.601 0.223 1.00 0.00 C ATOM 82 O ASP A 6 -19.119 5.030 1.039 1.00 0.00 O ATOM 83 CB ASP A 6 -17.543 7.923 0.409 1.00 0.00 C ATOM 84 CG ASP A 6 -18.694 8.429 1.258 1.00 0.00 C ATOM 85 OD1 ASP A 6 -19.858 8.263 0.846 1.00 0.00 O ATOM 86 OD2 ASP A 6 -18.441 8.999 2.336 1.00 0.00 O1- ATOM 0 H ASP A 6 -15.583 6.846 -0.588 1.00 0.00 H new ATOM 0 HA ASP A 6 -17.023 6.294 1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.657 8.525 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.788 8.062 -0.644 1.00 0.00 H new ATOM 91 N ILE A 7 -18.544 5.529 -1.087 1.00 0.00 N ATOM 92 CA ILE A 7 -19.584 4.739 -1.727 1.00 0.00 C ATOM 93 C ILE A 7 -19.561 3.269 -1.292 1.00 0.00 C ATOM 94 O ILE A 7 -20.563 2.583 -1.405 1.00 0.00 O ATOM 95 CB ILE A 7 -19.456 4.836 -3.256 1.00 0.00 C ATOM 96 CG1 ILE A 7 -19.439 6.306 -3.658 1.00 0.00 C ATOM 97 CG2 ILE A 7 -20.608 4.108 -3.945 1.00 0.00 C ATOM 98 CD1 ILE A 7 -18.798 6.563 -4.997 1.00 0.00 C ATOM 0 H ILE A 7 -17.942 6.023 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 7 -20.540 5.154 -1.409 1.00 0.00 H new ATOM 0 HB ILE A 7 -18.528 4.359 -3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -20.463 6.679 -3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.907 6.875 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -20.496 4.190 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -20.597 3.056 -3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -21.554 4.557 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -18.824 7.631 -5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.763 6.222 -4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -19.343 6.023 -5.771 1.00 0.00 H new ATOM 110 N ALA A 8 -18.433 2.784 -0.788 1.00 0.00 N ATOM 111 CA ALA A 8 -18.359 1.406 -0.305 1.00 0.00 C ATOM 112 C ALA A 8 -19.363 1.178 0.826 1.00 0.00 C ATOM 113 O ALA A 8 -19.952 0.109 0.942 1.00 0.00 O ATOM 114 CB ALA A 8 -16.947 1.070 0.150 1.00 0.00 C ATOM 0 H ALA A 8 -17.566 3.314 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.616 0.740 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.915 0.040 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.258 1.187 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.655 1.742 0.957 1.00 0.00 H new ATOM 120 N VAL A 9 -19.558 2.194 1.660 1.00 0.00 N ATOM 121 CA VAL A 9 -20.578 2.140 2.708 1.00 0.00 C ATOM 122 C VAL A 9 -21.966 2.422 2.119 1.00 0.00 C ATOM 123 O VAL A 9 -22.995 2.132 2.731 1.00 0.00 O ATOM 124 CB VAL A 9 -20.282 3.164 3.829 1.00 0.00 C ATOM 125 CG1 VAL A 9 -21.195 2.946 5.028 1.00 0.00 C ATOM 126 CG2 VAL A 9 -18.824 3.091 4.252 1.00 0.00 C ATOM 0 H VAL A 9 -19.026 3.064 1.633 1.00 0.00 H new ATOM 0 HA VAL A 9 -20.559 1.137 3.135 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.478 4.160 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -20.964 3.680 5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.234 3.059 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.041 1.942 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.637 3.819 5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -18.602 2.090 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.185 3.311 3.397 1.00 0.00 H new ATOM 136 N ASN A 10 -21.977 2.960 0.911 1.00 0.00 N ATOM 137 CA ASN A 10 -23.212 3.382 0.256 1.00 0.00 C ATOM 138 C ASN A 10 -23.763 2.278 -0.647 1.00 0.00 C ATOM 139 O ASN A 10 -24.962 2.229 -0.921 1.00 0.00 O ATOM 140 CB ASN A 10 -22.938 4.631 -0.587 1.00 0.00 C ATOM 141 CG ASN A 10 -24.186 5.281 -1.126 1.00 0.00 C ATOM 142 OD1 ASN A 10 -25.250 5.232 -0.509 1.00 0.00 O ATOM 143 ND2 ASN A 10 -24.056 5.908 -2.278 1.00 0.00 N ATOM 0 H ASN A 10 -21.136 3.118 0.356 1.00 0.00 H new ATOM 0 HA ASN A 10 -23.951 3.600 1.027 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -22.394 5.356 0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -22.290 4.361 -1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -24.858 6.380 -2.695 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -23.153 5.921 -2.752 1.00 0.00 H new ATOM 150 N THR A 11 -22.881 1.394 -1.099 1.00 0.00 N ATOM 151 CA THR A 11 -23.235 0.372 -2.074 1.00 0.00 C ATOM 152 C THR A 11 -24.326 -0.568 -1.576 1.00 0.00 C ATOM 153 O THR A 11 -24.239 -1.102 -0.470 1.00 0.00 O ATOM 154 CB THR A 11 -22.014 -0.463 -2.473 1.00 0.00 C ATOM 155 OG1 THR A 11 -21.199 -0.730 -1.326 1.00 0.00 O ATOM 156 CG2 THR A 11 -21.200 0.245 -3.542 1.00 0.00 C ATOM 0 H THR A 11 -21.906 1.366 -0.801 1.00 0.00 H new ATOM 0 HA THR A 11 -23.616 0.913 -2.940 1.00 0.00 H new ATOM 0 HB THR A 11 -22.367 -1.409 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 11 -21.587 -1.471 -0.815 1.00 0.00 H new ATOM 0 HG21 THR A 11 -20.339 -0.367 -3.809 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.819 0.404 -4.425 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.857 1.207 -3.161 1.00 0.00 H new ATOM 164 N PRO A 12 -25.371 -0.785 -2.387 1.00 0.00 N ATOM 165 CA PRO A 12 -26.439 -1.724 -2.070 1.00 0.00 C ATOM 166 C PRO A 12 -26.045 -3.171 -2.346 1.00 0.00 C ATOM 167 O PRO A 12 -26.619 -3.828 -3.216 1.00 0.00 O ATOM 168 CB PRO A 12 -27.590 -1.298 -2.998 1.00 0.00 C ATOM 169 CG PRO A 12 -27.120 -0.064 -3.696 1.00 0.00 C ATOM 170 CD PRO A 12 -25.628 -0.116 -3.665 1.00 0.00 C ATOM 0 HA PRO A 12 -26.696 -1.695 -1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -27.826 -2.085 -3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -28.499 -1.102 -2.428 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -27.488 -0.032 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -27.490 0.832 -3.196 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -25.222 -0.676 -4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -25.185 0.879 -3.701 1.00 0.00 H new ATOM 178 N GLY A 13 -25.059 -3.657 -1.609 1.00 0.00 N ATOM 179 CA GLY A 13 -24.652 -5.041 -1.738 1.00 0.00 C ATOM 180 C GLY A 13 -23.725 -5.267 -2.911 1.00 0.00 C ATOM 181 O GLY A 13 -23.906 -6.211 -3.682 1.00 0.00 O ATOM 0 H GLY A 13 -24.532 -3.117 -0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -24.155 -5.357 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -25.537 -5.667 -1.853 1.00 0.00 H new ATOM 185 N PHE A 14 -22.738 -4.391 -3.057 1.00 0.00 N ATOM 186 CA PHE A 14 -21.724 -4.552 -4.103 1.00 0.00 C ATOM 187 C PHE A 14 -20.870 -5.791 -3.843 1.00 0.00 C ATOM 188 O PHE A 14 -21.123 -6.548 -2.905 1.00 0.00 O ATOM 189 CB PHE A 14 -20.807 -3.331 -4.169 1.00 0.00 C ATOM 190 CG PHE A 14 -20.515 -2.858 -5.567 1.00 0.00 C ATOM 191 CD1 PHE A 14 -21.476 -2.175 -6.295 1.00 0.00 C ATOM 192 CD2 PHE A 14 -19.280 -3.094 -6.152 1.00 0.00 C ATOM 193 CE1 PHE A 14 -21.211 -1.737 -7.578 1.00 0.00 C ATOM 194 CE2 PHE A 14 -19.012 -2.658 -7.434 1.00 0.00 C ATOM 195 CZ PHE A 14 -19.977 -1.979 -8.148 1.00 0.00 C ATOM 0 H PHE A 14 -22.615 -3.566 -2.471 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.251 -4.662 -5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.265 -2.515 -3.609 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -19.866 -3.569 -3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -22.443 -1.983 -5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -18.520 -3.625 -5.598 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -21.969 -1.206 -8.135 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -18.046 -2.849 -7.878 1.00 0.00 H new ATOM 0 HZ PHE A 14 -19.768 -1.637 -9.151 1.00 0.00 H new ATOM 205 N SER A 15 -19.858 -5.991 -4.671 1.00 0.00 N ATOM 206 CA SER A 15 -18.899 -7.062 -4.466 1.00 0.00 C ATOM 207 C SER A 15 -18.224 -6.916 -3.103 1.00 0.00 C ATOM 208 O SER A 15 -18.120 -5.811 -2.562 1.00 0.00 O ATOM 209 CB SER A 15 -17.852 -7.005 -5.572 1.00 0.00 C ATOM 210 OG SER A 15 -18.469 -6.855 -6.839 1.00 0.00 O ATOM 0 H SER A 15 -19.679 -5.420 -5.497 1.00 0.00 H new ATOM 0 HA SER A 15 -19.415 -8.022 -4.494 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.171 -6.173 -5.393 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.253 -7.915 -5.559 1.00 0.00 H new ATOM 0 HG SER A 15 -17.781 -6.819 -7.536 1.00 0.00 H new ATOM 216 N THR A 16 -17.755 -8.037 -2.563 1.00 0.00 N ATOM 217 CA THR A 16 -17.121 -8.072 -1.249 1.00 0.00 C ATOM 218 C THR A 16 -15.910 -7.138 -1.186 1.00 0.00 C ATOM 219 O THR A 16 -15.464 -6.772 -0.105 1.00 0.00 O ATOM 220 CB THR A 16 -16.688 -9.507 -0.889 1.00 0.00 C ATOM 221 OG1 THR A 16 -17.769 -10.411 -1.146 1.00 0.00 O ATOM 222 CG2 THR A 16 -16.283 -9.615 0.575 1.00 0.00 C ATOM 0 H THR A 16 -17.804 -8.946 -3.023 1.00 0.00 H new ATOM 0 HA THR A 16 -17.859 -7.728 -0.524 1.00 0.00 H new ATOM 0 HB THR A 16 -15.825 -9.764 -1.504 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.493 -11.324 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.983 -10.640 0.795 1.00 0.00 H new ATOM 0 HG22 THR A 16 -15.448 -8.943 0.772 1.00 0.00 H new ATOM 0 HG23 THR A 16 -17.127 -9.340 1.207 1.00 0.00 H new ATOM 230 N LEU A 17 -15.385 -6.761 -2.347 1.00 0.00 N ATOM 231 CA LEU A 17 -14.289 -5.799 -2.426 1.00 0.00 C ATOM 232 C LEU A 17 -14.608 -4.511 -1.660 1.00 0.00 C ATOM 233 O LEU A 17 -13.712 -3.890 -1.089 1.00 0.00 O ATOM 234 CB LEU A 17 -13.977 -5.464 -3.885 1.00 0.00 C ATOM 235 CG LEU A 17 -13.442 -6.625 -4.724 1.00 0.00 C ATOM 236 CD1 LEU A 17 -13.269 -6.196 -6.171 1.00 0.00 C ATOM 237 CD2 LEU A 17 -12.123 -7.138 -4.160 1.00 0.00 C ATOM 0 H LEU A 17 -15.702 -7.109 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.417 -6.262 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.885 -5.086 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.246 -4.655 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 17 -14.168 -7.437 -4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.888 -7.033 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.231 -5.880 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.564 -5.366 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.762 -7.964 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.388 -6.333 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.275 -7.485 -3.138 1.00 0.00 H new ATOM 249 N VAL A 18 -15.883 -4.118 -1.628 1.00 0.00 N ATOM 250 CA VAL A 18 -16.264 -2.892 -0.930 1.00 0.00 C ATOM 251 C VAL A 18 -16.332 -3.155 0.559 1.00 0.00 C ATOM 252 O VAL A 18 -16.103 -2.266 1.378 1.00 0.00 O ATOM 253 CB VAL A 18 -17.622 -2.327 -1.411 1.00 0.00 C ATOM 254 CG1 VAL A 18 -17.672 -2.312 -2.923 1.00 0.00 C ATOM 255 CG2 VAL A 18 -18.806 -3.104 -0.831 1.00 0.00 C ATOM 0 H VAL A 18 -16.654 -4.620 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.502 -2.146 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.706 -1.304 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.632 -1.913 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -16.867 -1.685 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -17.553 -3.327 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.738 -2.672 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.743 -4.147 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.781 -3.047 0.257 1.00 0.00 H new ATOM 265 N THR A 19 -16.639 -4.389 0.902 1.00 0.00 N ATOM 266 CA THR A 19 -16.738 -4.770 2.287 1.00 0.00 C ATOM 267 C THR A 19 -15.370 -5.076 2.858 1.00 0.00 C ATOM 268 O THR A 19 -15.144 -4.902 4.041 1.00 0.00 O ATOM 269 CB THR A 19 -17.657 -5.978 2.481 1.00 0.00 C ATOM 270 OG1 THR A 19 -18.752 -5.903 1.559 1.00 0.00 O ATOM 271 CG2 THR A 19 -18.189 -5.994 3.904 1.00 0.00 C ATOM 0 H THR A 19 -16.823 -5.141 0.238 1.00 0.00 H new ATOM 0 HA THR A 19 -17.171 -3.924 2.820 1.00 0.00 H new ATOM 0 HB THR A 19 -17.092 -6.892 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.338 -6.678 1.684 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.843 -6.856 4.038 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.355 -6.059 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 19 -18.751 -5.079 4.093 1.00 0.00 H new ATOM 279 N ALA A 20 -14.460 -5.505 2.004 1.00 0.00 N ATOM 280 CA ALA A 20 -13.108 -5.836 2.419 1.00 0.00 C ATOM 281 C ALA A 20 -12.386 -4.615 2.999 1.00 0.00 C ATOM 282 O ALA A 20 -11.649 -4.730 3.971 1.00 0.00 O ATOM 283 CB ALA A 20 -12.357 -6.449 1.258 1.00 0.00 C ATOM 0 H ALA A 20 -14.635 -5.634 1.007 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.152 -6.572 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.343 -6.697 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.868 -7.355 0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.319 -5.737 0.433 1.00 0.00 H new ATOM 289 N VAL A 21 -12.618 -3.441 2.428 1.00 0.00 N ATOM 290 CA VAL A 21 -12.114 -2.205 3.023 1.00 0.00 C ATOM 291 C VAL A 21 -12.967 -1.804 4.232 1.00 0.00 C ATOM 292 O VAL A 21 -12.446 -1.314 5.235 1.00 0.00 O ATOM 293 CB VAL A 21 -12.049 -1.039 2.004 1.00 0.00 C ATOM 294 CG1 VAL A 21 -13.253 -1.044 1.073 1.00 0.00 C ATOM 295 CG2 VAL A 21 -11.959 0.285 2.736 1.00 0.00 C ATOM 0 H VAL A 21 -13.145 -3.315 1.564 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.094 -2.405 3.351 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.156 -1.175 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.174 -0.213 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.282 -1.983 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.166 -0.939 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.914 1.099 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.837 0.411 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.061 0.299 3.354 1.00 0.00 H new ATOM 305 N LYS A 22 -14.271 -2.044 4.140 1.00 0.00 N ATOM 306 CA LYS A 22 -15.195 -1.726 5.222 1.00 0.00 C ATOM 307 C LYS A 22 -14.858 -2.520 6.481 1.00 0.00 C ATOM 308 O LYS A 22 -14.842 -1.985 7.589 1.00 0.00 O ATOM 309 CB LYS A 22 -16.640 -2.018 4.784 1.00 0.00 C ATOM 310 CG LYS A 22 -17.339 -0.839 4.144 1.00 0.00 C ATOM 311 CD LYS A 22 -18.808 -1.089 3.886 1.00 0.00 C ATOM 312 CE LYS A 22 -19.039 -2.087 2.766 1.00 0.00 C ATOM 313 NZ LYS A 22 -20.485 -2.273 2.478 1.00 0.00 N1+ ATOM 0 H LYS A 22 -14.714 -2.461 3.321 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.098 -0.665 5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.634 -2.850 4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.214 -2.340 5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.233 0.033 4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.846 -0.600 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.277 -1.457 4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.295 -0.147 3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.531 -1.745 1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.597 -3.046 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.632 -3.195 2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.023 -2.239 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.813 -1.516 1.845 1.00 0.00 H new ATOM 327 N VAL A 23 -14.565 -3.792 6.286 1.00 0.00 N ATOM 328 CA VAL A 23 -14.246 -4.694 7.381 1.00 0.00 C ATOM 329 C VAL A 23 -12.844 -4.413 7.903 1.00 0.00 C ATOM 330 O VAL A 23 -12.566 -4.526 9.099 1.00 0.00 O ATOM 331 CB VAL A 23 -14.347 -6.170 6.939 1.00 0.00 C ATOM 332 CG1 VAL A 23 -13.386 -6.468 5.800 1.00 0.00 C ATOM 333 CG2 VAL A 23 -14.074 -7.076 8.116 1.00 0.00 C ATOM 0 H VAL A 23 -14.541 -4.231 5.365 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.972 -4.522 8.176 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.358 -6.354 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.479 -7.514 5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.624 -5.832 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.364 -6.271 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.147 -8.116 7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.072 -6.882 8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.806 -6.884 8.900 1.00 0.00 H new ATOM 343 N ALA A 24 -11.972 -4.030 6.988 1.00 0.00 N ATOM 344 CA ALA A 24 -10.603 -3.693 7.321 1.00 0.00 C ATOM 345 C ALA A 24 -10.527 -2.333 7.986 1.00 0.00 C ATOM 346 O ALA A 24 -9.469 -1.927 8.441 1.00 0.00 O ATOM 347 CB ALA A 24 -9.750 -3.689 6.085 1.00 0.00 C ATOM 0 H ALA A 24 -12.194 -3.944 5.996 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.233 -4.447 8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.724 -3.434 6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.771 -4.677 5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.135 -2.953 5.379 1.00 0.00 H new ATOM 353 N ASN A 25 -11.664 -1.638 7.991 1.00 0.00 N ATOM 354 CA ASN A 25 -11.828 -0.333 8.620 1.00 0.00 C ATOM 355 C ASN A 25 -11.138 0.797 7.844 1.00 0.00 C ATOM 356 O ASN A 25 -11.078 1.936 8.310 1.00 0.00 O ATOM 357 CB ASN A 25 -11.426 -0.407 10.110 1.00 0.00 C ATOM 358 CG ASN A 25 -9.956 -0.151 10.472 1.00 0.00 C ATOM 359 OD1 ASN A 25 -9.367 -0.929 11.222 1.00 0.00 O ATOM 360 ND2 ASN A 25 -9.377 0.949 10.025 1.00 0.00 N ATOM 0 H ASN A 25 -12.517 -1.978 7.546 1.00 0.00 H new ATOM 0 HA ASN A 25 -12.885 -0.067 8.585 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.035 0.313 10.657 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.694 -1.397 10.480 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.420 1.170 10.301 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.887 1.578 9.404 1.00 0.00 H new ATOM 367 N LEU A 26 -10.681 0.508 6.630 1.00 0.00 N ATOM 368 CA LEU A 26 -10.007 1.523 5.820 1.00 0.00 C ATOM 369 C LEU A 26 -10.989 2.362 5.027 1.00 0.00 C ATOM 370 O LEU A 26 -10.583 3.178 4.200 1.00 0.00 O ATOM 371 CB LEU A 26 -8.975 0.917 4.871 1.00 0.00 C ATOM 372 CG LEU A 26 -7.604 0.666 5.487 1.00 0.00 C ATOM 373 CD1 LEU A 26 -7.645 -0.532 6.408 1.00 0.00 C ATOM 374 CD2 LEU A 26 -6.563 0.482 4.400 1.00 0.00 C ATOM 0 H LEU A 26 -10.762 -0.407 6.188 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.487 2.167 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.364 -0.027 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.856 1.581 4.015 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.325 1.536 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.657 -0.695 6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.363 -0.352 7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.945 -1.415 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.589 0.304 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.834 -0.371 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.517 1.381 3.785 1.00 0.00 H new ATOM 386 N VAL A 27 -12.274 2.167 5.277 1.00 0.00 N ATOM 387 CA VAL A 27 -13.302 2.969 4.628 1.00 0.00 C ATOM 388 C VAL A 27 -13.078 4.447 4.907 1.00 0.00 C ATOM 389 O VAL A 27 -13.309 5.290 4.054 1.00 0.00 O ATOM 390 CB VAL A 27 -14.716 2.537 5.078 1.00 0.00 C ATOM 391 CG1 VAL A 27 -15.532 3.700 5.633 1.00 0.00 C ATOM 392 CG2 VAL A 27 -15.446 1.876 3.918 1.00 0.00 C ATOM 0 H VAL A 27 -12.631 1.463 5.923 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.230 2.803 3.553 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.598 1.821 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.517 3.342 5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.020 4.124 6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.643 4.465 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.442 1.573 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.531 2.582 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.889 0.999 3.590 1.00 0.00 H new ATOM 402 N GLU A 28 -12.626 4.744 6.109 1.00 0.00 N ATOM 403 CA GLU A 28 -12.299 6.111 6.497 1.00 0.00 C ATOM 404 C GLU A 28 -10.866 6.489 6.111 1.00 0.00 C ATOM 405 O GLU A 28 -10.527 7.670 6.028 1.00 0.00 O ATOM 406 CB GLU A 28 -12.518 6.290 7.995 1.00 0.00 C ATOM 407 CG GLU A 28 -12.082 5.090 8.814 1.00 0.00 C ATOM 408 CD GLU A 28 -12.221 5.321 10.302 1.00 0.00 C ATOM 409 OE1 GLU A 28 -13.345 5.181 10.826 1.00 0.00 O ATOM 410 OE2 GLU A 28 -11.202 5.636 10.956 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.474 4.053 6.844 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.964 6.782 5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.970 7.170 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.575 6.483 8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.677 4.223 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.043 4.854 8.582 1.00 0.00 H new ATOM 417 N ALA A 29 -10.034 5.486 5.864 1.00 0.00 N ATOM 418 CA ALA A 29 -8.635 5.711 5.539 1.00 0.00 C ATOM 419 C ALA A 29 -8.452 6.107 4.075 1.00 0.00 C ATOM 420 O ALA A 29 -7.865 7.147 3.775 1.00 0.00 O ATOM 421 CB ALA A 29 -7.814 4.473 5.863 1.00 0.00 C ATOM 0 H ALA A 29 -10.308 4.504 5.883 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.281 6.542 6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.768 4.655 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.901 4.247 6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.184 3.629 5.281 1.00 0.00 H new ATOM 427 N LEU A 30 -8.966 5.272 3.170 1.00 0.00 N ATOM 428 CA LEU A 30 -8.868 5.512 1.720 1.00 0.00 C ATOM 429 C LEU A 30 -9.454 6.866 1.310 1.00 0.00 C ATOM 430 O LEU A 30 -9.246 7.329 0.191 1.00 0.00 O ATOM 431 CB LEU A 30 -9.603 4.427 0.941 1.00 0.00 C ATOM 432 CG LEU A 30 -9.286 2.989 1.331 1.00 0.00 C ATOM 433 CD1 LEU A 30 -9.978 2.039 0.380 1.00 0.00 C ATOM 434 CD2 LEU A 30 -7.792 2.729 1.342 1.00 0.00 C ATOM 0 H LEU A 30 -9.460 4.414 3.414 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.804 5.501 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.675 4.586 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.377 4.553 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.654 2.823 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.749 1.011 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.055 2.197 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.629 2.223 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.605 1.693 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.383 2.913 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.312 3.393 2.061 1.00 0.00 H new ATOM 446 N GLN A 31 -10.199 7.480 2.217 1.00 0.00 N ATOM 447 CA GLN A 31 -10.888 8.749 1.960 1.00 0.00 C ATOM 448 C GLN A 31 -9.912 9.893 1.699 1.00 0.00 C ATOM 449 O GLN A 31 -10.324 10.977 1.291 1.00 0.00 O ATOM 450 CB GLN A 31 -11.776 9.099 3.148 1.00 0.00 C ATOM 451 CG GLN A 31 -12.781 8.020 3.462 1.00 0.00 C ATOM 452 CD GLN A 31 -14.056 8.119 2.666 1.00 0.00 C ATOM 453 OE1 GLN A 31 -14.540 9.204 2.364 1.00 0.00 O ATOM 454 NE2 GLN A 31 -14.567 6.978 2.259 1.00 0.00 N ATOM 0 H GLN A 31 -10.347 7.116 3.158 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.491 8.618 1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.151 9.274 4.024 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.302 10.031 2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.324 7.048 3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.024 8.062 4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.132 6.097 2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.398 6.973 1.668 1.00 0.00 H new ATOM 463 N SER A 32 -8.630 9.647 1.947 1.00 0.00 N ATOM 464 CA SER A 32 -7.590 10.647 1.734 1.00 0.00 C ATOM 465 C SER A 32 -7.511 11.065 0.261 1.00 0.00 C ATOM 466 O SER A 32 -7.114 10.278 -0.599 1.00 0.00 O ATOM 467 CB SER A 32 -6.247 10.094 2.198 1.00 0.00 C ATOM 468 OG SER A 32 -6.292 9.728 3.568 1.00 0.00 O ATOM 0 H SER A 32 -8.284 8.754 2.299 1.00 0.00 H new ATOM 0 HA SER A 32 -7.840 11.533 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.979 9.226 1.595 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.469 10.842 2.043 1.00 0.00 H new ATOM 0 HG SER A 32 -6.811 8.903 3.669 1.00 0.00 H new ATOM 474 N PRO A 33 -7.907 12.312 -0.038 1.00 0.00 N ATOM 475 CA PRO A 33 -7.944 12.834 -1.406 1.00 0.00 C ATOM 476 C PRO A 33 -6.587 13.316 -1.913 1.00 0.00 C ATOM 477 O PRO A 33 -6.406 13.535 -3.113 1.00 0.00 O ATOM 478 CB PRO A 33 -8.895 14.017 -1.293 1.00 0.00 C ATOM 479 CG PRO A 33 -8.750 14.504 0.109 1.00 0.00 C ATOM 480 CD PRO A 33 -8.354 13.316 0.947 1.00 0.00 C ATOM 0 HA PRO A 33 -8.247 12.063 -2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.639 14.798 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.922 13.718 -1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.995 15.288 0.169 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.685 14.934 0.467 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.558 13.570 1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.193 12.948 1.538 1.00 0.00 H new ATOM 488 N GLY A 34 -5.656 13.504 -0.990 1.00 0.00 N ATOM 489 CA GLY A 34 -4.358 14.065 -1.322 1.00 0.00 C ATOM 490 C GLY A 34 -3.459 13.119 -2.107 1.00 0.00 C ATOM 491 O GLY A 34 -3.911 12.436 -3.026 1.00 0.00 O ATOM 0 H GLY A 34 -5.777 13.275 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.505 14.976 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.851 14.352 -0.401 1.00 0.00 H new ATOM 495 N PRO A 35 -2.163 13.072 -1.772 1.00 0.00 N ATOM 496 CA PRO A 35 -1.194 12.289 -2.526 1.00 0.00 C ATOM 497 C PRO A 35 -1.295 10.784 -2.277 1.00 0.00 C ATOM 498 O PRO A 35 -1.898 10.335 -1.303 1.00 0.00 O ATOM 499 CB PRO A 35 0.156 12.827 -2.069 1.00 0.00 C ATOM 500 CG PRO A 35 -0.076 13.512 -0.764 1.00 0.00 C ATOM 501 CD PRO A 35 -1.553 13.784 -0.637 1.00 0.00 C ATOM 0 HA PRO A 35 -1.363 12.391 -3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.878 12.018 -1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.565 13.521 -2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.269 12.888 0.061 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.488 14.443 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.942 13.420 0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.764 14.852 -0.680 1.00 0.00 H new ATOM 509 N PHE A 36 -0.652 10.023 -3.154 1.00 0.00 N ATOM 510 CA PHE A 36 -0.787 8.573 -3.199 1.00 0.00 C ATOM 511 C PHE A 36 0.589 7.930 -3.327 1.00 0.00 C ATOM 512 O PHE A 36 1.372 8.279 -4.203 1.00 0.00 O ATOM 513 CB PHE A 36 -1.748 8.226 -4.371 1.00 0.00 C ATOM 514 CG PHE A 36 -1.456 7.005 -5.225 1.00 0.00 C ATOM 515 CD1 PHE A 36 -0.313 6.919 -6.009 1.00 0.00 C ATOM 516 CD2 PHE A 36 -2.370 5.964 -5.282 1.00 0.00 C ATOM 517 CE1 PHE A 36 -0.084 5.820 -6.815 1.00 0.00 C ATOM 518 CE2 PHE A 36 -2.142 4.860 -6.082 1.00 0.00 C ATOM 519 CZ PHE A 36 -0.999 4.789 -6.849 1.00 0.00 C ATOM 0 H PHE A 36 -0.017 10.398 -3.859 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.217 8.174 -2.280 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.747 8.104 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.784 9.090 -5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.408 7.723 -5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.273 6.016 -4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.811 5.769 -7.418 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.859 4.053 -6.106 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.820 3.928 -7.475 1.00 0.00 H new ATOM 529 N THR A 37 0.889 7.028 -2.422 1.00 0.00 N ATOM 530 CA THR A 37 2.174 6.362 -2.398 1.00 0.00 C ATOM 531 C THR A 37 1.994 4.851 -2.438 1.00 0.00 C ATOM 532 O THR A 37 1.373 4.266 -1.555 1.00 0.00 O ATOM 533 CB THR A 37 2.965 6.773 -1.144 1.00 0.00 C ATOM 534 OG1 THR A 37 3.315 8.156 -1.233 1.00 0.00 O ATOM 535 CG2 THR A 37 4.221 5.945 -0.992 1.00 0.00 C ATOM 0 H THR A 37 0.252 6.734 -1.682 1.00 0.00 H new ATOM 0 HA THR A 37 2.736 6.665 -3.281 1.00 0.00 H new ATOM 0 HB THR A 37 2.334 6.601 -0.272 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.157 8.590 -0.369 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.758 6.259 -0.097 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.954 4.892 -0.904 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.858 6.086 -1.865 1.00 0.00 H new ATOM 543 N VAL A 38 2.537 4.219 -3.460 1.00 0.00 N ATOM 544 CA VAL A 38 2.303 2.801 -3.662 1.00 0.00 C ATOM 545 C VAL A 38 3.605 2.005 -3.586 1.00 0.00 C ATOM 546 O VAL A 38 4.696 2.527 -3.849 1.00 0.00 O ATOM 547 CB VAL A 38 1.602 2.536 -5.017 1.00 0.00 C ATOM 548 CG1 VAL A 38 2.593 2.582 -6.164 1.00 0.00 C ATOM 549 CG2 VAL A 38 0.857 1.210 -4.997 1.00 0.00 C ATOM 0 H VAL A 38 3.138 4.659 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 38 1.646 2.467 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 38 0.872 3.330 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.072 2.392 -7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.061 3.566 -6.201 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.359 1.821 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.374 1.049 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.561 0.400 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.102 1.229 -4.211 1.00 0.00 H new ATOM 559 N PHE A 39 3.475 0.753 -3.186 1.00 0.00 N ATOM 560 CA PHE A 39 4.578 -0.193 -3.210 1.00 0.00 C ATOM 561 C PHE A 39 4.317 -1.211 -4.316 1.00 0.00 C ATOM 562 O PHE A 39 3.443 -2.063 -4.183 1.00 0.00 O ATOM 563 CB PHE A 39 4.713 -0.898 -1.851 1.00 0.00 C ATOM 564 CG PHE A 39 4.909 0.042 -0.693 1.00 0.00 C ATOM 565 CD1 PHE A 39 6.180 0.459 -0.328 1.00 0.00 C ATOM 566 CD2 PHE A 39 3.822 0.505 0.035 1.00 0.00 C ATOM 567 CE1 PHE A 39 6.364 1.318 0.738 1.00 0.00 C ATOM 568 CE2 PHE A 39 4.001 1.364 1.101 1.00 0.00 C ATOM 569 CZ PHE A 39 5.273 1.772 1.453 1.00 0.00 C ATOM 0 H PHE A 39 2.601 0.362 -2.835 1.00 0.00 H new ATOM 0 HA PHE A 39 5.512 0.334 -3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.820 -1.497 -1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.556 -1.588 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.037 0.108 -0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.825 0.190 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.360 1.634 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.147 1.717 1.660 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.414 2.445 2.286 1.00 0.00 H new ATOM 579 N ALA A 40 5.061 -1.108 -5.408 1.00 0.00 N ATOM 580 CA ALA A 40 4.799 -1.918 -6.592 1.00 0.00 C ATOM 581 C ALA A 40 5.730 -3.126 -6.666 1.00 0.00 C ATOM 582 O ALA A 40 6.935 -2.976 -6.854 1.00 0.00 O ATOM 583 CB ALA A 40 4.942 -1.067 -7.845 1.00 0.00 C ATOM 0 H ALA A 40 5.852 -0.471 -5.500 1.00 0.00 H new ATOM 0 HA ALA A 40 3.778 -2.292 -6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.745 -1.679 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.229 -0.243 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.955 -0.668 -7.900 1.00 0.00 H new ATOM 589 N PRO A 41 5.185 -4.340 -6.511 1.00 0.00 N ATOM 590 CA PRO A 41 5.970 -5.574 -6.589 1.00 0.00 C ATOM 591 C PRO A 41 6.344 -5.938 -8.029 1.00 0.00 C ATOM 592 O PRO A 41 5.489 -5.947 -8.917 1.00 0.00 O ATOM 593 CB PRO A 41 5.030 -6.622 -5.985 1.00 0.00 C ATOM 594 CG PRO A 41 3.657 -6.104 -6.236 1.00 0.00 C ATOM 595 CD PRO A 41 3.758 -4.602 -6.240 1.00 0.00 C ATOM 0 HA PRO A 41 6.925 -5.490 -6.070 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.175 -7.597 -6.451 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.214 -6.749 -4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.273 -6.469 -7.189 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.967 -6.444 -5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.119 -4.161 -7.005 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.449 -4.179 -5.284 1.00 0.00 H new ATOM 603 N ASN A 42 7.628 -6.231 -8.257 1.00 0.00 N ATOM 604 CA ASN A 42 8.104 -6.584 -9.595 1.00 0.00 C ATOM 605 C ASN A 42 7.823 -8.052 -9.901 1.00 0.00 C ATOM 606 O ASN A 42 7.189 -8.748 -9.103 1.00 0.00 O ATOM 607 CB ASN A 42 9.609 -6.274 -9.766 1.00 0.00 C ATOM 608 CG ASN A 42 10.546 -7.382 -9.352 1.00 0.00 C ATOM 609 OD1 ASN A 42 10.904 -8.249 -10.146 1.00 0.00 O ATOM 610 ND2 ASN A 42 10.983 -7.334 -8.122 1.00 0.00 N ATOM 0 H ASN A 42 8.351 -6.231 -7.537 1.00 0.00 H new ATOM 0 HA ASN A 42 7.555 -5.969 -10.308 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.797 -6.033 -10.812 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.848 -5.383 -9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.647 -8.033 -7.789 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.661 -6.597 -7.495 1.00 0.00 H new ATOM 617 N ASP A 43 8.308 -8.523 -11.037 1.00 0.00 N ATOM 618 CA ASP A 43 8.064 -9.900 -11.464 1.00 0.00 C ATOM 619 C ASP A 43 8.604 -10.907 -10.453 1.00 0.00 C ATOM 620 O ASP A 43 8.040 -11.988 -10.286 1.00 0.00 O ATOM 621 CB ASP A 43 8.684 -10.171 -12.838 1.00 0.00 C ATOM 622 CG ASP A 43 7.877 -9.577 -13.973 1.00 0.00 C ATOM 623 OD1 ASP A 43 6.877 -10.203 -14.388 1.00 0.00 O ATOM 624 OD2 ASP A 43 8.242 -8.488 -14.466 1.00 0.00 O1- ATOM 0 H ASP A 43 8.875 -7.975 -11.685 1.00 0.00 H new ATOM 0 HA ASP A 43 6.983 -10.022 -11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.694 -9.762 -12.863 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.773 -11.247 -12.986 1.00 0.00 H new ATOM 629 N ASP A 44 9.666 -10.539 -9.744 1.00 0.00 N ATOM 630 CA ASP A 44 10.304 -11.467 -8.810 1.00 0.00 C ATOM 631 C ASP A 44 9.535 -11.467 -7.506 1.00 0.00 C ATOM 632 O ASP A 44 9.605 -12.401 -6.707 1.00 0.00 O ATOM 633 CB ASP A 44 11.761 -11.092 -8.564 1.00 0.00 C ATOM 634 CG ASP A 44 12.531 -12.191 -7.853 1.00 0.00 C ATOM 635 OD1 ASP A 44 13.070 -13.083 -8.542 1.00 0.00 O ATOM 636 OD2 ASP A 44 12.609 -12.171 -6.608 1.00 0.00 O1- ATOM 0 H ASP A 44 10.101 -9.618 -9.795 1.00 0.00 H new ATOM 0 HA ASP A 44 10.291 -12.466 -9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.243 -10.873 -9.517 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.803 -10.180 -7.969 1.00 0.00 H new ATOM 641 N ALA A 45 8.767 -10.409 -7.320 1.00 0.00 N ATOM 642 CA ALA A 45 7.918 -10.270 -6.160 1.00 0.00 C ATOM 643 C ALA A 45 6.670 -11.108 -6.357 1.00 0.00 C ATOM 644 O ALA A 45 6.198 -11.778 -5.448 1.00 0.00 O ATOM 645 CB ALA A 45 7.569 -8.816 -5.957 1.00 0.00 C ATOM 0 H ALA A 45 8.717 -9.625 -7.970 1.00 0.00 H new ATOM 0 HA ALA A 45 8.439 -10.621 -5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.928 -8.714 -5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.482 -8.240 -5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.044 -8.442 -6.836 1.00 0.00 H new ATOM 769 N ILE A 54 -0.213 -11.440 0.976 1.00 0.00 N ATOM 770 CA ILE A 54 -1.324 -10.580 1.316 1.00 0.00 C ATOM 771 C ILE A 54 -2.405 -11.364 2.060 1.00 0.00 C ATOM 772 O ILE A 54 -3.167 -10.811 2.853 1.00 0.00 O ATOM 773 CB ILE A 54 -1.878 -9.887 0.048 1.00 0.00 C ATOM 774 CG1 ILE A 54 -1.168 -8.542 -0.150 1.00 0.00 C ATOM 775 CG2 ILE A 54 -3.387 -9.702 0.115 1.00 0.00 C ATOM 776 CD1 ILE A 54 0.328 -8.645 -0.374 1.00 0.00 C ATOM 0 HA ILE A 54 -0.973 -9.798 1.989 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.679 -10.530 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.616 -8.032 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.349 -7.918 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.734 -9.212 -0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.869 -10.675 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.640 -9.086 0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.746 -7.647 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.793 -9.124 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.522 -9.239 -1.267 1.00 0.00 H new ATOM 788 N THR A 55 -2.420 -12.664 1.833 1.00 0.00 N ATOM 789 CA THR A 55 -3.334 -13.552 2.522 1.00 0.00 C ATOM 790 C THR A 55 -3.047 -13.591 4.025 1.00 0.00 C ATOM 791 O THR A 55 -3.953 -13.715 4.825 1.00 0.00 O ATOM 792 CB THR A 55 -3.258 -14.969 1.959 1.00 0.00 C ATOM 793 OG1 THR A 55 -3.577 -14.956 0.562 1.00 0.00 O ATOM 794 CG2 THR A 55 -4.212 -15.888 2.710 1.00 0.00 C ATOM 0 H THR A 55 -1.802 -13.131 1.169 1.00 0.00 H new ATOM 0 HA THR A 55 -4.338 -13.158 2.363 1.00 0.00 H new ATOM 0 HB THR A 55 -2.243 -15.346 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.525 -15.868 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.147 -16.895 2.298 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.941 -15.910 3.766 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.232 -15.518 2.605 1.00 0.00 H new ATOM 802 N SER A 56 -1.788 -13.478 4.406 1.00 0.00 N ATOM 803 CA SER A 56 -1.428 -13.424 5.810 1.00 0.00 C ATOM 804 C SER A 56 -1.622 -12.005 6.319 1.00 0.00 C ATOM 805 O SER A 56 -1.857 -11.768 7.501 1.00 0.00 O ATOM 806 CB SER A 56 0.019 -13.882 6.009 1.00 0.00 C ATOM 807 OG SER A 56 0.400 -13.831 7.375 1.00 0.00 O ATOM 0 H SER A 56 -0.998 -13.422 3.763 1.00 0.00 H new ATOM 0 HA SER A 56 -2.070 -14.097 6.377 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.133 -14.900 5.637 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.685 -13.251 5.421 1.00 0.00 H new ATOM 0 HG SER A 56 1.328 -14.131 7.467 1.00 0.00 H new ATOM 813 N LEU A 57 -1.555 -11.075 5.387 1.00 0.00 N ATOM 814 CA LEU A 57 -1.751 -9.660 5.670 1.00 0.00 C ATOM 815 C LEU A 57 -3.207 -9.365 5.987 1.00 0.00 C ATOM 816 O LEU A 57 -3.508 -8.463 6.764 1.00 0.00 O ATOM 817 CB LEU A 57 -1.300 -8.825 4.495 1.00 0.00 C ATOM 818 CG LEU A 57 0.162 -8.386 4.527 1.00 0.00 C ATOM 819 CD1 LEU A 57 1.089 -9.565 4.781 1.00 0.00 C ATOM 820 CD2 LEU A 57 0.531 -7.703 3.221 1.00 0.00 C ATOM 0 H LEU A 57 -1.362 -11.277 4.406 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.151 -9.403 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.471 -9.393 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.928 -7.936 4.441 1.00 0.00 H new ATOM 0 HG LEU A 57 0.283 -7.680 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.122 -9.218 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.844 -10.021 5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.966 -10.302 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.576 -7.394 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.384 -8.397 2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.102 -6.827 3.077 1.00 0.00 H new ATOM 832 N VAL A 58 -4.112 -10.128 5.381 1.00 0.00 N ATOM 833 CA VAL A 58 -5.527 -9.970 5.672 1.00 0.00 C ATOM 834 C VAL A 58 -5.836 -10.546 7.043 1.00 0.00 C ATOM 835 O VAL A 58 -6.720 -10.062 7.752 1.00 0.00 O ATOM 836 CB VAL A 58 -6.430 -10.642 4.614 1.00 0.00 C ATOM 837 CG1 VAL A 58 -6.295 -12.150 4.668 1.00 0.00 C ATOM 838 CG2 VAL A 58 -7.879 -10.231 4.810 1.00 0.00 C ATOM 0 H VAL A 58 -3.892 -10.851 4.696 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.742 -8.902 5.652 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.105 -10.306 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.940 -12.600 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.260 -12.430 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.588 -12.506 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.500 -10.714 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.212 -10.534 5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.967 -9.149 4.713 1.00 0.00 H new ATOM 848 N GLN A 59 -5.088 -11.577 7.416 1.00 0.00 N ATOM 849 CA GLN A 59 -5.247 -12.196 8.715 1.00 0.00 C ATOM 850 C GLN A 59 -4.673 -11.258 9.765 1.00 0.00 C ATOM 851 O GLN A 59 -5.108 -11.199 10.916 1.00 0.00 O ATOM 852 CB GLN A 59 -4.502 -13.519 8.732 1.00 0.00 C ATOM 853 CG GLN A 59 -4.701 -14.301 7.454 1.00 0.00 C ATOM 854 CD GLN A 59 -5.954 -15.144 7.437 1.00 0.00 C ATOM 855 OE1 GLN A 59 -6.459 -15.564 8.479 1.00 0.00 O ATOM 856 NE2 GLN A 59 -6.451 -15.413 6.241 1.00 0.00 N ATOM 0 H GLN A 59 -4.366 -11.999 6.832 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.300 -12.382 8.926 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.438 -13.333 8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.843 -14.116 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.733 -13.605 6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.838 -14.948 7.298 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.998 -15.043 5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.287 -15.991 6.154 1.00 0.00 H new ATOM 865 N ASN A 60 -3.682 -10.532 9.300 1.00 0.00 N ATOM 866 CA ASN A 60 -2.977 -9.511 10.034 1.00 0.00 C ATOM 867 C ASN A 60 -3.811 -8.231 10.127 1.00 0.00 C ATOM 868 O ASN A 60 -4.880 -8.152 9.519 1.00 0.00 O ATOM 869 CB ASN A 60 -1.647 -9.244 9.333 1.00 0.00 C ATOM 870 CG ASN A 60 -0.467 -9.870 10.041 1.00 0.00 C ATOM 871 OD1 ASN A 60 0.175 -9.240 10.880 1.00 0.00 O ATOM 872 ND2 ASN A 60 -0.171 -11.110 9.705 1.00 0.00 N ATOM 0 H ASN A 60 -3.329 -10.645 8.350 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.794 -9.851 11.053 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.697 -9.628 8.314 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.491 -8.168 9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.617 -11.584 10.146 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.730 -11.596 9.004 1.00 0.00 H new ATOM 879 N PRO A 61 -3.379 -7.263 10.963 1.00 0.00 N ATOM 880 CA PRO A 61 -4.018 -5.938 11.109 1.00 0.00 C ATOM 881 C PRO A 61 -4.568 -5.322 9.796 1.00 0.00 C ATOM 882 O PRO A 61 -4.269 -5.797 8.700 1.00 0.00 O ATOM 883 CB PRO A 61 -2.854 -5.101 11.641 1.00 0.00 C ATOM 884 CG PRO A 61 -2.093 -6.034 12.511 1.00 0.00 C ATOM 885 CD PRO A 61 -2.234 -7.400 11.891 1.00 0.00 C ATOM 0 HA PRO A 61 -4.905 -5.989 11.741 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.234 -4.721 10.829 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.210 -4.237 12.202 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.045 -5.741 12.572 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.486 -6.026 13.528 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.327 -7.693 11.363 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.423 -8.162 12.647 1.00 0.00 H new ATOM 893 N PRO A 62 -5.371 -4.231 9.934 1.00 0.00 N ATOM 894 CA PRO A 62 -6.206 -3.602 8.869 1.00 0.00 C ATOM 895 C PRO A 62 -5.630 -3.480 7.447 1.00 0.00 C ATOM 896 O PRO A 62 -6.382 -3.151 6.534 1.00 0.00 O ATOM 897 CB PRO A 62 -6.431 -2.205 9.416 1.00 0.00 C ATOM 898 CG PRO A 62 -6.504 -2.390 10.884 1.00 0.00 C ATOM 899 CD PRO A 62 -5.540 -3.495 11.212 1.00 0.00 C ATOM 0 HA PRO A 62 -7.073 -4.241 8.703 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.617 -1.535 9.140 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.350 -1.768 9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.237 -1.472 11.407 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.516 -2.650 11.194 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.590 -3.099 11.571 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.932 -4.144 11.995 1.00 0.00 H new ATOM 907 N GLN A 63 -4.336 -3.731 7.255 1.00 0.00 N ATOM 908 CA GLN A 63 -3.659 -3.511 5.963 1.00 0.00 C ATOM 909 C GLN A 63 -4.458 -4.000 4.743 1.00 0.00 C ATOM 910 O GLN A 63 -4.271 -3.489 3.634 1.00 0.00 O ATOM 911 CB GLN A 63 -2.294 -4.179 5.943 1.00 0.00 C ATOM 912 CG GLN A 63 -1.468 -3.695 4.786 1.00 0.00 C ATOM 913 CD GLN A 63 -0.272 -4.545 4.501 1.00 0.00 C ATOM 914 OE1 GLN A 63 0.358 -5.100 5.397 1.00 0.00 O ATOM 915 NE2 GLN A 63 0.008 -4.685 3.228 1.00 0.00 N ATOM 0 H GLN A 63 -3.722 -4.092 7.985 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.563 -2.428 5.880 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.772 -3.973 6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.416 -5.260 5.878 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.095 -3.656 3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.138 -2.676 4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.551 -4.199 2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.784 -5.280 2.939 1.00 0.00 H new ATOM 924 N LEU A 64 -5.338 -4.977 4.945 1.00 0.00 N ATOM 925 CA LEU A 64 -6.178 -5.506 3.883 1.00 0.00 C ATOM 926 C LEU A 64 -6.832 -4.395 3.068 1.00 0.00 C ATOM 927 O LEU A 64 -6.775 -4.403 1.839 1.00 0.00 O ATOM 928 CB LEU A 64 -7.263 -6.390 4.481 1.00 0.00 C ATOM 929 CG LEU A 64 -8.433 -6.653 3.546 1.00 0.00 C ATOM 930 CD1 LEU A 64 -8.054 -7.653 2.460 1.00 0.00 C ATOM 931 CD2 LEU A 64 -9.667 -7.109 4.311 1.00 0.00 C ATOM 0 H LEU A 64 -5.486 -5.422 5.851 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.540 -6.085 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.821 -7.344 4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.637 -5.922 5.392 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.682 -5.711 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.910 -7.822 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.223 -7.258 1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.758 -8.595 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.483 -7.288 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.442 -8.030 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.961 -6.336 5.022 1.00 0.00 H new ATOM 943 N GLY A 65 -7.424 -3.443 3.777 1.00 0.00 N ATOM 944 CA GLY A 65 -8.198 -2.377 3.152 1.00 0.00 C ATOM 945 C GLY A 65 -7.479 -1.686 2.014 1.00 0.00 C ATOM 946 O GLY A 65 -8.079 -1.374 0.984 1.00 0.00 O ATOM 0 H GLY A 65 -7.382 -3.387 4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.135 -2.792 2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.456 -1.637 3.909 1.00 0.00 H new ATOM 950 N ARG A 66 -6.193 -1.456 2.197 1.00 0.00 N ATOM 951 CA ARG A 66 -5.400 -0.762 1.207 1.00 0.00 C ATOM 952 C ARG A 66 -5.099 -1.686 0.040 1.00 0.00 C ATOM 953 O ARG A 66 -5.098 -1.262 -1.119 1.00 0.00 O ATOM 954 CB ARG A 66 -4.118 -0.227 1.847 1.00 0.00 C ATOM 955 CG ARG A 66 -2.856 -0.628 1.107 1.00 0.00 C ATOM 956 CD ARG A 66 -2.141 -1.748 1.836 1.00 0.00 C ATOM 957 NE ARG A 66 -1.308 -1.238 2.917 1.00 0.00 N ATOM 958 CZ ARG A 66 0.020 -1.128 2.849 1.00 0.00 C ATOM 959 NH1 ARG A 66 0.659 -1.417 1.718 1.00 0.00 N1+ ATOM 960 NH2 ARG A 66 0.706 -0.706 3.897 1.00 0.00 N ATOM 0 H ARG A 66 -5.675 -1.742 3.028 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.962 0.089 0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.172 0.861 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.057 -0.587 2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.107 -0.948 0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.194 0.233 1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.874 -2.447 2.239 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.523 -2.305 1.132 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.769 -0.947 3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.133 -1.724 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.674 -1.332 1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.220 -0.464 4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.721 -0.623 3.842 1.00 0.00 H new ATOM 974 N ILE A 67 -4.862 -2.950 0.363 1.00 0.00 N ATOM 975 CA ILE A 67 -4.526 -3.959 -0.618 1.00 0.00 C ATOM 976 C ILE A 67 -5.595 -4.076 -1.694 1.00 0.00 C ATOM 977 O ILE A 67 -5.278 -4.137 -2.881 1.00 0.00 O ATOM 978 CB ILE A 67 -4.364 -5.315 0.073 1.00 0.00 C ATOM 979 CG1 ILE A 67 -3.359 -5.188 1.218 1.00 0.00 C ATOM 980 CG2 ILE A 67 -3.933 -6.364 -0.932 1.00 0.00 C ATOM 981 CD1 ILE A 67 -3.175 -6.457 2.018 1.00 0.00 C ATOM 0 H ILE A 67 -4.899 -3.301 1.320 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.592 -3.660 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.320 -5.631 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.395 -4.885 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.686 -4.393 1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.821 -7.325 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.687 -6.450 -1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.981 -6.073 -1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.447 -6.285 2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.128 -6.751 2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.817 -7.251 1.363 1.00 0.00 H new ATOM 993 N LEU A 68 -6.851 -4.099 -1.264 1.00 0.00 N ATOM 994 CA LEU A 68 -7.976 -4.280 -2.177 1.00 0.00 C ATOM 995 C LEU A 68 -7.906 -3.356 -3.385 1.00 0.00 C ATOM 996 O LEU A 68 -7.867 -3.823 -4.523 1.00 0.00 O ATOM 997 CB LEU A 68 -9.320 -4.048 -1.477 1.00 0.00 C ATOM 998 CG LEU A 68 -9.820 -5.161 -0.560 1.00 0.00 C ATOM 999 CD1 LEU A 68 -9.166 -6.485 -0.904 1.00 0.00 C ATOM 1000 CD2 LEU A 68 -9.594 -4.798 0.895 1.00 0.00 C ATOM 0 H LEU A 68 -7.118 -3.994 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.905 -5.314 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.244 -3.133 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.076 -3.873 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.893 -5.274 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.540 -7.260 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.401 -6.750 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.086 -6.398 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.957 -5.605 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.529 -4.648 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.133 -3.880 1.129 1.00 0.00 H new ATOM 1012 N LYS A 69 -7.885 -2.050 -3.144 1.00 0.00 N ATOM 1013 CA LYS A 69 -8.059 -1.106 -4.236 1.00 0.00 C ATOM 1014 C LYS A 69 -6.755 -0.826 -4.981 1.00 0.00 C ATOM 1015 O LYS A 69 -6.632 -1.165 -6.155 1.00 0.00 O ATOM 1016 CB LYS A 69 -8.639 0.212 -3.710 1.00 0.00 C ATOM 1017 CG LYS A 69 -9.048 1.170 -4.819 1.00 0.00 C ATOM 1018 CD LYS A 69 -9.409 2.554 -4.292 1.00 0.00 C ATOM 1019 CE LYS A 69 -8.221 3.238 -3.627 1.00 0.00 C ATOM 1020 NZ LYS A 69 -8.355 4.718 -3.640 1.00 0.00 N1+ ATOM 0 H LYS A 69 -7.752 -1.630 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.752 -1.564 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.506 -0.003 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.900 0.698 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.232 1.259 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.901 0.756 -5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.770 3.172 -5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.226 2.468 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.132 2.891 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.303 2.952 -4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.440 5.152 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.650 5.032 -4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.069 5.008 -2.941 1.00 0.00 H new ATOM 1034 N TYR A 70 -5.775 -0.227 -4.313 1.00 0.00 N ATOM 1035 CA TYR A 70 -4.549 0.164 -5.004 1.00 0.00 C ATOM 1036 C TYR A 70 -3.269 -0.371 -4.368 1.00 0.00 C ATOM 1037 O TYR A 70 -2.208 -0.286 -4.985 1.00 0.00 O ATOM 1038 CB TYR A 70 -4.461 1.684 -5.153 1.00 0.00 C ATOM 1039 CG TYR A 70 -4.893 2.190 -6.514 1.00 0.00 C ATOM 1040 CD1 TYR A 70 -4.001 2.212 -7.579 1.00 0.00 C ATOM 1041 CD2 TYR A 70 -6.183 2.649 -6.733 1.00 0.00 C ATOM 1042 CE1 TYR A 70 -4.383 2.678 -8.821 1.00 0.00 C ATOM 1043 CE2 TYR A 70 -6.575 3.114 -7.973 1.00 0.00 C ATOM 1044 CZ TYR A 70 -5.672 3.127 -9.013 1.00 0.00 C ATOM 1045 OH TYR A 70 -6.060 3.593 -10.249 1.00 0.00 O ATOM 0 H TYR A 70 -5.801 -0.005 -3.318 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.620 -0.302 -5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.081 2.151 -4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.434 1.999 -4.967 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.991 1.858 -7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.894 2.643 -5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.676 2.691 -9.637 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.585 3.466 -8.126 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.999 3.870 -10.214 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.356 -0.890 -3.134 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.169 -1.335 -2.400 1.00 0.00 C ATOM 1057 C HIS A 71 -1.326 -0.101 -2.047 1.00 0.00 C ATOM 1058 O HIS A 71 -0.096 -0.127 -2.072 1.00 0.00 O ATOM 1059 CB HIS A 71 -1.381 -2.358 -3.248 1.00 0.00 C ATOM 1060 CG HIS A 71 -0.228 -3.023 -2.558 1.00 0.00 C ATOM 1061 ND1 HIS A 71 1.014 -3.151 -3.137 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -0.141 -3.630 -1.351 1.00 0.00 C ATOM 1063 CE1 HIS A 71 1.814 -3.808 -2.319 1.00 0.00 C ATOM 1064 NE2 HIS A 71 1.141 -4.112 -1.225 1.00 0.00 N ATOM 0 H HIS A 71 -4.233 -1.010 -2.628 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.450 -1.837 -1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.072 -3.130 -3.587 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.006 -1.852 -4.138 1.00 0.00 H new ATOM 0 HD1 HIS A 71 1.275 -2.793 -4.056 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.932 -3.719 -0.622 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.847 -4.056 -2.512 1.00 0.00 H new ATOM 1073 N VAL A 72 -2.029 0.965 -1.657 1.00 0.00 N ATOM 1074 CA VAL A 72 -1.451 2.302 -1.572 1.00 0.00 C ATOM 1075 C VAL A 72 -1.554 2.895 -0.164 1.00 0.00 C ATOM 1076 O VAL A 72 -2.371 2.468 0.649 1.00 0.00 O ATOM 1077 CB VAL A 72 -2.176 3.249 -2.560 1.00 0.00 C ATOM 1078 CG1 VAL A 72 -3.647 3.388 -2.190 1.00 0.00 C ATOM 1079 CG2 VAL A 72 -1.509 4.613 -2.608 1.00 0.00 C ATOM 0 H VAL A 72 -3.013 0.923 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.395 2.209 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.107 2.807 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.138 4.057 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.125 2.409 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.732 3.797 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.042 5.254 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.532 5.064 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.474 4.501 -2.932 1.00 0.00 H new ATOM 1089 N VAL A 73 -0.712 3.883 0.096 1.00 0.00 N ATOM 1090 CA VAL A 73 -0.787 4.695 1.293 1.00 0.00 C ATOM 1091 C VAL A 73 -0.778 6.170 0.899 1.00 0.00 C ATOM 1092 O VAL A 73 0.064 6.604 0.116 1.00 0.00 O ATOM 1093 CB VAL A 73 0.376 4.405 2.277 1.00 0.00 C ATOM 1094 CG1 VAL A 73 1.715 4.327 1.560 1.00 0.00 C ATOM 1095 CG2 VAL A 73 0.437 5.473 3.344 1.00 0.00 C ATOM 0 H VAL A 73 0.051 4.144 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.714 4.444 1.809 1.00 0.00 H new ATOM 0 HB VAL A 73 0.180 3.436 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.504 4.123 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.685 3.527 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.917 5.275 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.258 5.257 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.599 6.445 2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.502 5.489 3.897 1.00 0.00 H new ATOM 1105 N ALA A 74 -1.739 6.923 1.404 1.00 0.00 N ATOM 1106 CA ALA A 74 -1.816 8.351 1.122 1.00 0.00 C ATOM 1107 C ALA A 74 -0.672 9.088 1.769 1.00 0.00 C ATOM 1108 O ALA A 74 -0.281 8.797 2.900 1.00 0.00 O ATOM 1109 CB ALA A 74 -3.124 8.913 1.623 1.00 0.00 C ATOM 0 H ALA A 74 -2.479 6.572 2.012 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.754 8.485 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.168 9.980 1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.952 8.407 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.198 8.758 2.699 1.00 0.00 H new ATOM 1115 N GLY A 75 -0.153 10.053 1.047 1.00 0.00 N ATOM 1116 CA GLY A 75 0.974 10.796 1.534 1.00 0.00 C ATOM 1117 C GLY A 75 2.192 10.531 0.691 1.00 0.00 C ATOM 1118 O GLY A 75 2.841 9.512 0.848 1.00 0.00 O ATOM 0 H GLY A 75 -0.493 10.337 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.744 11.862 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.176 10.522 2.570 1.00 0.00 H new ATOM 1122 N ALA A 76 2.458 11.427 -0.237 1.00 0.00 N ATOM 1123 CA ALA A 76 3.585 11.308 -1.152 1.00 0.00 C ATOM 1124 C ALA A 76 4.913 11.240 -0.410 1.00 0.00 C ATOM 1125 O ALA A 76 5.442 12.258 0.043 1.00 0.00 O ATOM 1126 CB ALA A 76 3.587 12.479 -2.120 1.00 0.00 C ATOM 0 H ALA A 76 1.897 12.266 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 76 3.470 10.375 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.432 12.386 -2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.658 12.481 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.672 13.412 -1.563 1.00 0.00 H new ATOM 1132 N TYR A 77 5.444 10.038 -0.284 1.00 0.00 N ATOM 1133 CA TYR A 77 6.743 9.848 0.363 1.00 0.00 C ATOM 1134 C TYR A 77 7.749 9.234 -0.596 1.00 0.00 C ATOM 1135 O TYR A 77 7.565 8.102 -1.058 1.00 0.00 O ATOM 1136 CB TYR A 77 6.682 8.922 1.582 1.00 0.00 C ATOM 1137 CG TYR A 77 5.412 8.947 2.403 1.00 0.00 C ATOM 1138 CD1 TYR A 77 5.006 10.086 3.083 1.00 0.00 C ATOM 1139 CD2 TYR A 77 4.633 7.799 2.518 1.00 0.00 C ATOM 1140 CE1 TYR A 77 3.857 10.082 3.856 1.00 0.00 C ATOM 1141 CE2 TYR A 77 3.482 7.786 3.281 1.00 0.00 C ATOM 1142 CZ TYR A 77 3.097 8.932 3.948 1.00 0.00 C ATOM 1143 OH TYR A 77 1.957 8.926 4.720 1.00 0.00 O ATOM 0 H TYR A 77 5.005 9.179 -0.616 1.00 0.00 H new ATOM 0 HA TYR A 77 7.045 10.847 0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.843 7.900 1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.515 9.173 2.239 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.594 10.989 3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.935 6.901 2.000 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.556 10.974 4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.888 6.887 3.355 1.00 0.00 H new ATOM 0 HH TYR A 77 1.169 8.868 4.140 1.00 0.00 H new ATOM 1153 N LYS A 78 8.817 9.958 -0.888 1.00 0.00 N ATOM 1154 CA LYS A 78 9.921 9.418 -1.612 1.00 0.00 C ATOM 1155 C LYS A 78 10.755 8.512 -0.733 1.00 0.00 C ATOM 1156 O LYS A 78 10.640 8.580 0.489 1.00 0.00 O ATOM 1157 CB LYS A 78 10.683 10.557 -2.098 1.00 0.00 C ATOM 1158 CG LYS A 78 9.785 11.367 -2.966 1.00 0.00 C ATOM 1159 CD LYS A 78 10.587 12.369 -3.592 1.00 0.00 C ATOM 1160 CE LYS A 78 10.936 11.890 -4.959 1.00 0.00 C ATOM 1161 NZ LYS A 78 11.745 12.868 -5.727 1.00 0.00 N1+ ATOM 0 H LYS A 78 8.928 10.937 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 78 9.589 8.797 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.050 11.155 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.556 10.222 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.304 10.737 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.991 11.824 -2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.045 13.313 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.490 12.553 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.488 10.953 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.019 11.675 -5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.957 12.480 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.212 13.755 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.634 13.056 -5.222 1.00 0.00 H new ATOM 1175 N ALA A 79 11.599 7.689 -1.328 1.00 0.00 N ATOM 1176 CA ALA A 79 12.403 6.740 -0.563 1.00 0.00 C ATOM 1177 C ALA A 79 13.244 7.464 0.479 1.00 0.00 C ATOM 1178 O ALA A 79 13.568 6.909 1.531 1.00 0.00 O ATOM 1179 CB ALA A 79 13.293 5.924 -1.486 1.00 0.00 C ATOM 0 H ALA A 79 11.749 7.655 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 79 11.725 6.060 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.884 5.223 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.674 5.372 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.960 6.591 -2.032 1.00 0.00 H new ATOM 1185 N THR A 80 13.551 8.724 0.199 1.00 0.00 N ATOM 1186 CA THR A 80 14.371 9.520 1.094 1.00 0.00 C ATOM 1187 C THR A 80 13.605 9.880 2.367 1.00 0.00 C ATOM 1188 O THR A 80 14.207 10.048 3.423 1.00 0.00 O ATOM 1189 CB THR A 80 14.890 10.802 0.402 1.00 0.00 C ATOM 1190 OG1 THR A 80 15.718 11.559 1.295 1.00 0.00 O ATOM 1191 CG2 THR A 80 13.740 11.671 -0.085 1.00 0.00 C ATOM 0 H THR A 80 13.243 9.214 -0.641 1.00 0.00 H new ATOM 0 HA THR A 80 15.233 8.911 1.367 1.00 0.00 H new ATOM 0 HB THR A 80 15.481 10.492 -0.460 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.038 12.365 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.138 12.564 -0.567 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.138 11.111 -0.800 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.119 11.962 0.763 1.00 0.00 H new ATOM 1199 N ASP A 81 12.278 9.965 2.275 1.00 0.00 N ATOM 1200 CA ASP A 81 11.456 10.296 3.429 1.00 0.00 C ATOM 1201 C ASP A 81 11.292 9.065 4.303 1.00 0.00 C ATOM 1202 O ASP A 81 11.507 9.107 5.515 1.00 0.00 O ATOM 1203 CB ASP A 81 10.086 10.810 2.975 1.00 0.00 C ATOM 1204 CG ASP A 81 9.196 11.217 4.135 1.00 0.00 C ATOM 1205 OD1 ASP A 81 8.519 10.345 4.705 1.00 0.00 O ATOM 1206 OD2 ASP A 81 9.160 12.422 4.473 1.00 0.00 O1- ATOM 0 H ASP A 81 11.754 9.809 1.414 1.00 0.00 H new ATOM 0 HA ASP A 81 11.945 11.082 4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.225 11.664 2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.586 10.035 2.394 1.00 0.00 H new ATOM 1211 N LEU A 82 10.928 7.963 3.662 1.00 0.00 N ATOM 1212 CA LEU A 82 10.749 6.689 4.326 1.00 0.00 C ATOM 1213 C LEU A 82 11.989 6.264 5.095 1.00 0.00 C ATOM 1214 O LEU A 82 11.917 5.950 6.282 1.00 0.00 O ATOM 1215 CB LEU A 82 10.383 5.643 3.275 1.00 0.00 C ATOM 1216 CG LEU A 82 9.000 5.824 2.642 1.00 0.00 C ATOM 1217 CD1 LEU A 82 8.172 6.862 3.388 1.00 0.00 C ATOM 1218 CD2 LEU A 82 9.126 6.176 1.177 1.00 0.00 C ATOM 0 H LEU A 82 10.748 7.933 2.658 1.00 0.00 H new ATOM 0 HA LEU A 82 9.948 6.786 5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.134 5.664 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.430 4.655 3.734 1.00 0.00 H new ATOM 0 HG LEU A 82 8.472 4.874 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.198 6.963 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.037 6.545 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.687 7.822 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.133 6.300 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.686 7.106 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.651 5.376 0.654 1.00 0.00 H new ATOM 1230 N LYS A 83 13.124 6.260 4.421 1.00 0.00 N ATOM 1231 CA LYS A 83 14.373 5.854 5.042 1.00 0.00 C ATOM 1232 C LYS A 83 14.811 6.847 6.111 1.00 0.00 C ATOM 1233 O LYS A 83 15.405 6.458 7.116 1.00 0.00 O ATOM 1234 CB LYS A 83 15.453 5.716 3.987 1.00 0.00 C ATOM 1235 CG LYS A 83 16.751 5.154 4.526 1.00 0.00 C ATOM 1236 CD LYS A 83 17.776 4.968 3.422 1.00 0.00 C ATOM 1237 CE LYS A 83 19.117 4.522 3.978 1.00 0.00 C ATOM 1238 NZ LYS A 83 20.168 4.473 2.926 1.00 0.00 N1+ ATOM 0 H LYS A 83 13.208 6.534 3.442 1.00 0.00 H new ATOM 0 HA LYS A 83 14.212 4.890 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.090 5.070 3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 83 15.645 6.693 3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.151 5.824 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 83 16.561 4.197 5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.413 4.229 2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.900 5.904 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.427 5.205 4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.012 3.536 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.574 3.517 2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.748 4.710 2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 20.917 5.158 3.152 1.00 0.00 H new ATOM 1252 N ARG A 84 14.520 8.124 5.890 1.00 0.00 N ATOM 1253 CA ARG A 84 14.805 9.163 6.864 1.00 0.00 C ATOM 1254 C ARG A 84 14.177 8.812 8.198 1.00 0.00 C ATOM 1255 O ARG A 84 14.763 9.021 9.261 1.00 0.00 O ATOM 1256 CB ARG A 84 14.240 10.477 6.377 1.00 0.00 C ATOM 1257 CG ARG A 84 15.258 11.597 6.365 1.00 0.00 C ATOM 1258 CD ARG A 84 15.027 12.506 5.182 1.00 0.00 C ATOM 1259 NE ARG A 84 16.025 13.567 5.086 1.00 0.00 N ATOM 1260 CZ ARG A 84 16.068 14.451 4.090 1.00 0.00 C ATOM 1261 NH1 ARG A 84 15.149 14.419 3.131 1.00 0.00 N1+ ATOM 1262 NH2 ARG A 84 17.019 15.375 4.062 1.00 0.00 N ATOM 0 H ARG A 84 14.082 8.464 5.034 1.00 0.00 H new ATOM 0 HA ARG A 84 15.885 9.248 6.988 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.844 10.344 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.403 10.763 7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.189 12.169 7.290 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.265 11.181 6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.041 11.915 4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.035 12.951 5.259 1.00 0.00 H new ATOM 0 HE ARG A 84 16.728 13.635 5.822 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.409 13.717 3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.183 15.096 2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.719 15.409 4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.051 16.051 3.299 1.00 0.00 H new ATOM 1276 N MET A 85 12.968 8.288 8.118 1.00 0.00 N ATOM 1277 CA MET A 85 12.245 7.836 9.296 1.00 0.00 C ATOM 1278 C MET A 85 12.719 6.460 9.735 1.00 0.00 C ATOM 1279 O MET A 85 12.891 6.199 10.922 1.00 0.00 O ATOM 1280 CB MET A 85 10.745 7.779 9.019 1.00 0.00 C ATOM 1281 CG MET A 85 10.129 9.117 8.681 1.00 0.00 C ATOM 1282 SD MET A 85 8.365 8.998 8.319 1.00 0.00 S ATOM 1283 CE MET A 85 7.759 8.253 9.831 1.00 0.00 C ATOM 0 H MET A 85 12.461 8.163 7.242 1.00 0.00 H new ATOM 0 HA MET A 85 12.442 8.553 10.093 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.565 7.089 8.194 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.240 7.369 9.894 1.00 0.00 H new ATOM 0 HG2 MET A 85 10.279 9.803 9.515 1.00 0.00 H new ATOM 0 HG3 MET A 85 10.645 9.543 7.820 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.724 8.552 9.994 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.815 7.167 9.750 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.369 8.586 10.671 1.00 0.00 H new ATOM 1293 N GLY A 86 12.937 5.582 8.764 1.00 0.00 N ATOM 1294 CA GLY A 86 13.264 4.204 9.078 1.00 0.00 C ATOM 1295 C GLY A 86 12.019 3.370 9.307 1.00 0.00 C ATOM 1296 O GLY A 86 12.090 2.237 9.778 1.00 0.00 O ATOM 0 H GLY A 86 12.894 5.798 7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.846 3.773 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.892 4.173 9.969 1.00 0.00 H new ATOM 1300 N ILE A 87 10.877 3.950 8.975 1.00 0.00 N ATOM 1301 CA ILE A 87 9.588 3.314 9.107 1.00 0.00 C ATOM 1302 C ILE A 87 8.586 4.077 8.251 1.00 0.00 C ATOM 1303 O ILE A 87 8.799 5.246 7.923 1.00 0.00 O ATOM 1304 CB ILE A 87 9.124 3.275 10.581 1.00 0.00 C ATOM 1305 CG1 ILE A 87 8.240 2.054 10.849 1.00 0.00 C ATOM 1306 CG2 ILE A 87 8.353 4.532 10.905 1.00 0.00 C ATOM 1307 CD1 ILE A 87 8.141 1.678 12.308 1.00 0.00 C ATOM 0 H ILE A 87 10.826 4.897 8.599 1.00 0.00 H new ATOM 0 HA ILE A 87 9.661 2.280 8.769 1.00 0.00 H new ATOM 0 HB ILE A 87 10.009 3.207 11.214 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.239 2.252 10.466 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.633 1.204 10.291 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.027 4.501 11.945 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.992 5.401 10.751 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.482 4.602 10.254 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.498 0.804 12.416 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.134 1.447 12.692 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.719 2.511 12.871 1.00 0.00 H new ATOM 1319 N VAL A 88 7.528 3.407 7.878 1.00 0.00 N ATOM 1320 CA VAL A 88 6.485 3.992 7.059 1.00 0.00 C ATOM 1321 C VAL A 88 5.121 3.718 7.663 1.00 0.00 C ATOM 1322 O VAL A 88 4.873 2.622 8.150 1.00 0.00 O ATOM 1323 CB VAL A 88 6.533 3.403 5.642 1.00 0.00 C ATOM 1324 CG1 VAL A 88 7.741 3.916 4.906 1.00 0.00 C ATOM 1325 CG2 VAL A 88 6.585 1.892 5.694 1.00 0.00 C ATOM 0 H VAL A 88 7.359 2.434 8.132 1.00 0.00 H new ATOM 0 HA VAL A 88 6.650 5.068 7.014 1.00 0.00 H new ATOM 0 HB VAL A 88 5.629 3.711 5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.763 3.491 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.692 5.003 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.644 3.626 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.619 1.494 4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.476 1.577 6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.698 1.515 6.203 1.00 0.00 H new ATOM 1335 N THR A 89 4.238 4.697 7.644 1.00 0.00 N ATOM 1336 CA THR A 89 2.904 4.479 8.163 1.00 0.00 C ATOM 1337 C THR A 89 1.894 4.400 7.037 1.00 0.00 C ATOM 1338 O THR A 89 1.822 5.272 6.172 1.00 0.00 O ATOM 1339 CB THR A 89 2.454 5.551 9.164 1.00 0.00 C ATOM 1340 OG1 THR A 89 3.542 5.904 10.032 1.00 0.00 O ATOM 1341 CG2 THR A 89 1.285 5.011 9.987 1.00 0.00 C ATOM 0 H THR A 89 4.415 5.634 7.282 1.00 0.00 H new ATOM 0 HA THR A 89 2.950 3.530 8.698 1.00 0.00 H new ATOM 0 HB THR A 89 2.138 6.442 8.622 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.245 6.590 10.666 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.961 5.769 10.700 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.458 4.760 9.323 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.601 4.118 10.526 1.00 0.00 H new ATOM 1349 N SER A 90 1.128 3.337 7.075 1.00 0.00 N ATOM 1350 CA SER A 90 0.125 3.042 6.083 1.00 0.00 C ATOM 1351 C SER A 90 -1.085 3.974 6.213 1.00 0.00 C ATOM 1352 O SER A 90 -1.224 4.662 7.223 1.00 0.00 O ATOM 1353 CB SER A 90 -0.283 1.587 6.283 1.00 0.00 C ATOM 1354 OG SER A 90 0.828 0.727 6.100 1.00 0.00 O ATOM 0 H SER A 90 1.187 2.637 7.814 1.00 0.00 H new ATOM 0 HA SER A 90 0.525 3.199 5.081 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.692 1.453 7.284 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.072 1.325 5.578 1.00 0.00 H new ATOM 0 HG SER A 90 1.269 0.575 6.962 1.00 0.00 H new ATOM 1360 N LEU A 91 -1.948 4.000 5.194 1.00 0.00 N ATOM 1361 CA LEU A 91 -3.185 4.773 5.244 1.00 0.00 C ATOM 1362 C LEU A 91 -4.014 4.336 6.446 1.00 0.00 C ATOM 1363 O LEU A 91 -4.670 5.137 7.110 1.00 0.00 O ATOM 1364 CB LEU A 91 -3.994 4.548 3.964 1.00 0.00 C ATOM 1365 CG LEU A 91 -4.947 5.675 3.623 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -4.314 7.000 3.952 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -5.315 5.631 2.160 1.00 0.00 C ATOM 0 H LEU A 91 -1.809 3.491 4.321 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.938 5.831 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.304 4.407 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.564 3.624 4.066 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.854 5.554 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.006 7.805 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.080 7.037 5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.397 7.119 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.000 6.448 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.414 5.734 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.797 4.680 1.934 1.00 0.00 H new ATOM 1379 N GLU A 92 -3.942 3.042 6.707 1.00 0.00 N ATOM 1380 CA GLU A 92 -4.646 2.397 7.803 1.00 0.00 C ATOM 1381 C GLU A 92 -3.949 2.677 9.125 1.00 0.00 C ATOM 1382 O GLU A 92 -4.484 2.412 10.202 1.00 0.00 O ATOM 1383 CB GLU A 92 -4.714 0.883 7.560 1.00 0.00 C ATOM 1384 CG GLU A 92 -3.385 0.236 7.156 1.00 0.00 C ATOM 1385 CD GLU A 92 -3.112 0.252 5.652 1.00 0.00 C ATOM 1386 OE1 GLU A 92 -2.978 1.346 5.073 1.00 0.00 O ATOM 1387 OE2 GLU A 92 -2.992 -0.830 5.053 1.00 0.00 O1- ATOM 0 H GLU A 92 -3.381 2.397 6.151 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.657 2.801 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.076 0.400 8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.449 0.687 6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.572 0.752 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.376 -0.797 7.505 1.00 0.00 H new ATOM 1394 N GLY A 93 -2.746 3.205 9.023 1.00 0.00 N ATOM 1395 CA GLY A 93 -1.975 3.560 10.193 1.00 0.00 C ATOM 1396 C GLY A 93 -0.967 2.499 10.568 1.00 0.00 C ATOM 1397 O GLY A 93 -0.320 2.594 11.610 1.00 0.00 O ATOM 0 H GLY A 93 -2.281 3.398 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.456 4.501 10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.651 3.727 11.032 1.00 0.00 H new ATOM 1401 N SER A 94 -0.828 1.482 9.732 1.00 0.00 N ATOM 1402 CA SER A 94 0.116 0.432 9.990 1.00 0.00 C ATOM 1403 C SER A 94 1.541 0.867 9.647 1.00 0.00 C ATOM 1404 O SER A 94 1.838 1.212 8.508 1.00 0.00 O ATOM 1405 CB SER A 94 -0.295 -0.788 9.180 1.00 0.00 C ATOM 1406 OG SER A 94 -1.588 -1.228 9.556 1.00 0.00 O ATOM 0 H SER A 94 -1.363 1.371 8.871 1.00 0.00 H new ATOM 0 HA SER A 94 0.111 0.189 11.053 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.283 -0.546 8.117 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.426 -1.591 9.332 1.00 0.00 H new ATOM 0 HG SER A 94 -1.835 -2.012 9.023 1.00 0.00 H new ATOM 1412 N THR A 95 2.416 0.851 10.639 1.00 0.00 N ATOM 1413 CA THR A 95 3.820 1.168 10.430 1.00 0.00 C ATOM 1414 C THR A 95 4.640 -0.049 9.990 1.00 0.00 C ATOM 1415 O THR A 95 4.537 -1.133 10.569 1.00 0.00 O ATOM 1416 CB THR A 95 4.437 1.760 11.702 1.00 0.00 C ATOM 1417 OG1 THR A 95 3.537 1.576 12.805 1.00 0.00 O ATOM 1418 CG2 THR A 95 4.741 3.237 11.515 1.00 0.00 C ATOM 0 H THR A 95 2.177 0.620 11.603 1.00 0.00 H new ATOM 0 HA THR A 95 3.852 1.902 9.625 1.00 0.00 H new ATOM 0 HB THR A 95 5.374 1.243 11.910 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.934 1.954 13.618 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.178 3.637 12.430 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.444 3.362 10.692 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.819 3.773 11.289 1.00 0.00 H new ATOM 1426 N ILE A 96 5.459 0.164 8.968 1.00 0.00 N ATOM 1427 CA ILE A 96 6.346 -0.856 8.416 1.00 0.00 C ATOM 1428 C ILE A 96 7.779 -0.323 8.499 1.00 0.00 C ATOM 1429 O ILE A 96 8.044 0.785 8.049 1.00 0.00 O ATOM 1430 CB ILE A 96 6.012 -1.195 6.926 1.00 0.00 C ATOM 1431 CG1 ILE A 96 4.863 -2.198 6.778 1.00 0.00 C ATOM 1432 CG2 ILE A 96 7.223 -1.785 6.236 1.00 0.00 C ATOM 1433 CD1 ILE A 96 3.574 -1.823 7.478 1.00 0.00 C ATOM 0 H ILE A 96 5.528 1.063 8.491 1.00 0.00 H new ATOM 0 HA ILE A 96 6.219 -1.773 8.991 1.00 0.00 H new ATOM 0 HB ILE A 96 5.711 -0.252 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.654 -2.330 5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.195 -3.163 7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.975 -2.016 5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.042 -1.067 6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.525 -2.698 6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.829 -2.600 7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.757 -1.722 8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.207 -0.876 7.082 1.00 0.00 H new ATOM 1445 N PRO A 97 8.716 -1.067 9.088 1.00 0.00 N ATOM 1446 CA PRO A 97 10.079 -0.579 9.273 1.00 0.00 C ATOM 1447 C PRO A 97 10.868 -0.531 7.979 1.00 0.00 C ATOM 1448 O PRO A 97 10.914 -1.495 7.209 1.00 0.00 O ATOM 1449 CB PRO A 97 10.716 -1.574 10.246 1.00 0.00 C ATOM 1450 CG PRO A 97 9.645 -2.551 10.618 1.00 0.00 C ATOM 1451 CD PRO A 97 8.544 -2.424 9.605 1.00 0.00 C ATOM 0 HA PRO A 97 10.076 0.446 9.644 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.561 -2.083 9.782 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.098 -1.062 11.129 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.040 -3.567 10.629 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.269 -2.344 11.620 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.636 -3.170 8.815 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.562 -2.560 10.059 1.00 0.00 H new ATOM 1459 N ILE A 98 11.481 0.611 7.759 1.00 0.00 N ATOM 1460 CA ILE A 98 12.302 0.839 6.601 1.00 0.00 C ATOM 1461 C ILE A 98 13.763 0.562 6.898 1.00 0.00 C ATOM 1462 O ILE A 98 14.299 0.958 7.932 1.00 0.00 O ATOM 1463 CB ILE A 98 12.139 2.283 6.099 1.00 0.00 C ATOM 1464 CG1 ILE A 98 10.715 2.494 5.596 1.00 0.00 C ATOM 1465 CG2 ILE A 98 13.152 2.606 5.013 1.00 0.00 C ATOM 1466 CD1 ILE A 98 10.329 1.564 4.469 1.00 0.00 C ATOM 0 H ILE A 98 11.420 1.412 8.388 1.00 0.00 H new ATOM 0 HA ILE A 98 11.972 0.150 5.823 1.00 0.00 H new ATOM 0 HB ILE A 98 12.326 2.964 6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.021 2.355 6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.606 3.525 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 98 13.011 3.634 4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.160 2.488 5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.012 1.928 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.304 1.771 4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.999 1.719 3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.405 0.531 4.808 1.00 0.00 H new ATOM 1478 N HIS A 99 14.374 -0.148 5.984 1.00 0.00 N ATOM 1479 CA HIS A 99 15.798 -0.400 5.996 1.00 0.00 C ATOM 1480 C HIS A 99 16.364 0.082 4.673 1.00 0.00 C ATOM 1481 O HIS A 99 15.625 0.616 3.845 1.00 0.00 O ATOM 1482 CB HIS A 99 16.117 -1.878 6.223 1.00 0.00 C ATOM 1483 CG HIS A 99 15.679 -2.399 7.559 1.00 0.00 C ATOM 1484 ND1 HIS A 99 16.544 -2.582 8.615 1.00 0.00 N ATOM 1485 CD2 HIS A 99 14.457 -2.779 8.006 1.00 0.00 C ATOM 1486 CE1 HIS A 99 15.875 -3.050 9.652 1.00 0.00 C ATOM 1487 NE2 HIS A 99 14.608 -3.178 9.310 1.00 0.00 N ATOM 0 H HIS A 99 13.890 -0.576 5.195 1.00 0.00 H new ATOM 0 HA HIS A 99 16.255 0.139 6.826 1.00 0.00 H new ATOM 0 HB2 HIS A 99 15.638 -2.467 5.440 1.00 0.00 H new ATOM 0 HB3 HIS A 99 17.192 -2.027 6.121 1.00 0.00 H new ATOM 0 HD2 HIS A 99 13.537 -2.769 7.441 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.295 -3.288 10.618 1.00 0.00 H new ATOM 0 HE2 HIS A 99 13.862 -3.518 9.916 1.00 0.00 H new ATOM 1496 N GLY A 100 17.654 -0.072 4.477 1.00 0.00 N ATOM 1497 CA GLY A 100 18.262 0.434 3.269 1.00 0.00 C ATOM 1498 C GLY A 100 19.758 0.552 3.369 1.00 0.00 C ATOM 1499 O GLY A 100 20.283 1.539 3.886 1.00 0.00 O ATOM 0 H GLY A 100 18.292 -0.534 5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.010 -0.225 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 100 17.840 1.412 3.039 1.00 0.00 H new ATOM 1503 N ASP A 101 20.445 -0.451 2.868 1.00 0.00 N ATOM 1504 CA ASP A 101 21.897 -0.435 2.846 1.00 0.00 C ATOM 1505 C ASP A 101 22.378 0.194 1.550 1.00 0.00 C ATOM 1506 O ASP A 101 23.163 1.142 1.559 1.00 0.00 O ATOM 1507 CB ASP A 101 22.460 -1.845 3.002 1.00 0.00 C ATOM 1508 CG ASP A 101 23.968 -1.846 3.131 1.00 0.00 C ATOM 1509 OD1 ASP A 101 24.480 -1.391 4.176 1.00 0.00 O ATOM 1510 OD2 ASP A 101 24.651 -2.295 2.187 1.00 0.00 O1- ATOM 0 H ASP A 101 20.024 -1.290 2.469 1.00 0.00 H new ATOM 0 HA ASP A 101 22.256 0.159 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 101 22.021 -2.315 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 101 22.170 -2.448 2.141 1.00 0.00 H new ATOM 1515 N ASN A 102 21.890 -0.327 0.434 1.00 0.00 N ATOM 1516 CA ASN A 102 22.161 0.266 -0.871 1.00 0.00 C ATOM 1517 C ASN A 102 20.850 0.727 -1.529 1.00 0.00 C ATOM 1518 O ASN A 102 20.726 1.898 -1.895 1.00 0.00 O ATOM 1519 CB ASN A 102 22.943 -0.709 -1.764 1.00 0.00 C ATOM 1520 CG ASN A 102 23.111 -0.208 -3.189 1.00 0.00 C ATOM 1521 OD1 ASN A 102 22.278 -0.470 -4.057 1.00 0.00 O ATOM 1522 ND2 ASN A 102 24.192 0.511 -3.441 1.00 0.00 N ATOM 0 H ASN A 102 21.303 -1.161 0.404 1.00 0.00 H new ATOM 0 HA ASN A 102 22.789 1.146 -0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 102 23.927 -0.883 -1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.428 -1.669 -1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 102 24.358 0.870 -4.381 1.00 0.00 H new ATOM 0 HD22 ASN A 102 24.859 0.707 -2.695 1.00 0.00 H new ATOM 1529 N PRO A 103 19.850 -0.169 -1.706 1.00 0.00 N ATOM 1530 CA PRO A 103 18.499 0.226 -2.095 1.00 0.00 C ATOM 1531 C PRO A 103 17.635 0.484 -0.865 1.00 0.00 C ATOM 1532 O PRO A 103 18.085 0.277 0.263 1.00 0.00 O ATOM 1533 CB PRO A 103 18.014 -1.010 -2.832 1.00 0.00 C ATOM 1534 CG PRO A 103 18.585 -2.126 -2.042 1.00 0.00 C ATOM 1535 CD PRO A 103 19.934 -1.645 -1.581 1.00 0.00 C ATOM 0 HA PRO A 103 18.460 1.143 -2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.926 -1.057 -2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 103 18.366 -1.027 -3.864 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.946 -2.373 -1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 103 18.676 -3.028 -2.647 1.00 0.00 H new ATOM 0 HD2 PRO A 103 20.136 -1.948 -0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 103 20.735 -2.053 -2.197 1.00 0.00 H new ATOM 1543 N LEU A 104 16.420 0.965 -1.066 1.00 0.00 N ATOM 1544 CA LEU A 104 15.474 1.067 0.030 1.00 0.00 C ATOM 1545 C LEU A 104 14.967 -0.328 0.364 1.00 0.00 C ATOM 1546 O LEU A 104 14.924 -1.204 -0.504 1.00 0.00 O ATOM 1547 CB LEU A 104 14.293 1.967 -0.328 1.00 0.00 C ATOM 1548 CG LEU A 104 13.375 2.317 0.840 1.00 0.00 C ATOM 1549 CD1 LEU A 104 13.965 3.441 1.676 1.00 0.00 C ATOM 1550 CD2 LEU A 104 12.001 2.683 0.327 1.00 0.00 C ATOM 0 H LEU A 104 16.069 1.288 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 104 15.980 1.510 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.677 2.892 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.702 1.476 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 104 13.281 1.443 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.292 3.672 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.932 3.131 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.094 4.327 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.353 2.931 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.078 3.543 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.580 1.839 -0.219 1.00 0.00 H new ATOM 1562 N GLU A 105 14.577 -0.536 1.603 1.00 0.00 N ATOM 1563 CA GLU A 105 14.162 -1.850 2.056 1.00 0.00 C ATOM 1564 C GLU A 105 12.915 -1.720 2.911 1.00 0.00 C ATOM 1565 O GLU A 105 12.956 -1.203 4.024 1.00 0.00 O ATOM 1566 CB GLU A 105 15.286 -2.535 2.843 1.00 0.00 C ATOM 1567 CG GLU A 105 16.575 -2.712 2.049 1.00 0.00 C ATOM 1568 CD GLU A 105 17.626 -3.516 2.789 1.00 0.00 C ATOM 1569 OE1 GLU A 105 17.506 -4.759 2.833 1.00 0.00 O ATOM 1570 OE2 GLU A 105 18.589 -2.914 3.310 1.00 0.00 O1- ATOM 0 H GLU A 105 14.538 0.190 2.319 1.00 0.00 H new ATOM 0 HA GLU A 105 13.938 -2.469 1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.499 -1.950 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.939 -3.513 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.347 -3.206 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.982 -1.731 1.806 1.00 0.00 H new ATOM 1577 N VAL A 106 11.809 -2.178 2.375 1.00 0.00 N ATOM 1578 CA VAL A 106 10.527 -2.050 3.036 1.00 0.00 C ATOM 1579 C VAL A 106 10.146 -3.400 3.638 1.00 0.00 C ATOM 1580 O VAL A 106 9.811 -4.336 2.915 1.00 0.00 O ATOM 1581 CB VAL A 106 9.471 -1.506 2.030 1.00 0.00 C ATOM 1582 CG1 VAL A 106 9.821 -1.928 0.620 1.00 0.00 C ATOM 1583 CG2 VAL A 106 8.049 -1.936 2.363 1.00 0.00 C ATOM 0 H VAL A 106 11.769 -2.649 1.471 1.00 0.00 H new ATOM 0 HA VAL A 106 10.576 -1.331 3.853 1.00 0.00 H new ATOM 0 HB VAL A 106 9.500 -0.419 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.073 -1.540 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.801 -1.532 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.841 -3.016 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.362 -1.524 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.986 -3.024 2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.780 -1.568 3.353 1.00 0.00 H new ATOM 1593 N LYS A 107 10.243 -3.485 4.975 1.00 0.00 N ATOM 1594 CA LYS A 107 10.119 -4.743 5.724 1.00 0.00 C ATOM 1595 C LYS A 107 10.880 -5.895 5.069 1.00 0.00 C ATOM 1596 O LYS A 107 12.111 -5.929 5.089 1.00 0.00 O ATOM 1597 CB LYS A 107 8.656 -5.150 5.992 1.00 0.00 C ATOM 1598 CG LYS A 107 7.688 -4.925 4.834 1.00 0.00 C ATOM 1599 CD LYS A 107 6.392 -5.712 5.009 1.00 0.00 C ATOM 1600 CE LYS A 107 6.015 -5.910 6.472 1.00 0.00 C ATOM 1601 NZ LYS A 107 4.866 -6.843 6.628 1.00 0.00 N1+ ATOM 0 H LYS A 107 10.411 -2.674 5.570 1.00 0.00 H new ATOM 0 HA LYS A 107 10.582 -4.539 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 107 8.635 -6.206 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.295 -4.594 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.459 -3.862 4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.167 -5.218 3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.583 -5.190 4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.496 -6.686 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.874 -6.298 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.763 -4.947 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.641 -6.951 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.038 -6.461 6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.115 -7.770 6.228 1.00 0.00 H new ATOM 1615 N ASN A 108 10.146 -6.817 4.469 1.00 0.00 N ATOM 1616 CA ASN A 108 10.726 -8.031 3.916 1.00 0.00 C ATOM 1617 C ASN A 108 11.146 -7.814 2.476 1.00 0.00 C ATOM 1618 O ASN A 108 11.763 -8.681 1.861 1.00 0.00 O ATOM 1619 CB ASN A 108 9.711 -9.180 3.985 1.00 0.00 C ATOM 1620 CG ASN A 108 8.447 -8.912 3.176 1.00 0.00 C ATOM 1621 OD1 ASN A 108 8.025 -7.766 3.014 1.00 0.00 O ATOM 1622 ND2 ASN A 108 7.822 -9.968 2.679 1.00 0.00 N ATOM 0 H ASN A 108 9.135 -6.747 4.351 1.00 0.00 H new ATOM 0 HA ASN A 108 11.606 -8.288 4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.181 -10.094 3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.439 -9.354 5.026 1.00 0.00 H new ATOM 0 HD21 ASN A 108 6.963 -9.847 2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.200 -10.903 2.832 1.00 0.00 H new ATOM 1629 N ALA A 109 10.813 -6.654 1.942 1.00 0.00 N ATOM 1630 CA ALA A 109 11.023 -6.400 0.535 1.00 0.00 C ATOM 1631 C ALA A 109 12.153 -5.416 0.278 1.00 0.00 C ATOM 1632 O ALA A 109 12.611 -4.715 1.179 1.00 0.00 O ATOM 1633 CB ALA A 109 9.724 -5.925 -0.092 1.00 0.00 C ATOM 0 H ALA A 109 10.399 -5.879 2.460 1.00 0.00 H new ATOM 0 HA ALA A 109 11.330 -7.336 0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.881 -5.733 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.960 -6.693 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.397 -5.008 0.398 1.00 0.00 H new ATOM 1639 N THR A 110 12.578 -5.368 -0.977 1.00 0.00 N ATOM 1640 CA THR A 110 13.705 -4.577 -1.390 1.00 0.00 C ATOM 1641 C THR A 110 13.293 -3.735 -2.576 1.00 0.00 C ATOM 1642 O THR A 110 12.660 -4.235 -3.499 1.00 0.00 O ATOM 1643 CB THR A 110 14.891 -5.469 -1.798 1.00 0.00 C ATOM 1644 OG1 THR A 110 15.033 -6.542 -0.859 1.00 0.00 O ATOM 1645 CG2 THR A 110 16.182 -4.669 -1.849 1.00 0.00 C ATOM 0 H THR A 110 12.138 -5.887 -1.737 1.00 0.00 H new ATOM 0 HA THR A 110 14.018 -3.950 -0.555 1.00 0.00 H new ATOM 0 HB THR A 110 14.691 -5.869 -2.792 1.00 0.00 H new ATOM 0 HG1 THR A 110 15.788 -7.109 -1.122 1.00 0.00 H new ATOM 0 HG21 THR A 110 17.004 -5.323 -2.140 1.00 0.00 H new ATOM 0 HG22 THR A 110 16.083 -3.865 -2.578 1.00 0.00 H new ATOM 0 HG23 THR A 110 16.386 -4.245 -0.866 1.00 0.00 H new ATOM 1653 N VAL A 111 13.630 -2.472 -2.545 1.00 0.00 N ATOM 1654 CA VAL A 111 13.223 -1.559 -3.593 1.00 0.00 C ATOM 1655 C VAL A 111 14.193 -1.588 -4.774 1.00 0.00 C ATOM 1656 O VAL A 111 15.409 -1.523 -4.602 1.00 0.00 O ATOM 1657 CB VAL A 111 13.083 -0.129 -3.041 1.00 0.00 C ATOM 1658 CG1 VAL A 111 13.090 0.898 -4.157 1.00 0.00 C ATOM 1659 CG2 VAL A 111 11.808 -0.006 -2.224 1.00 0.00 C ATOM 0 H VAL A 111 14.187 -2.046 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 111 12.250 -1.889 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 111 13.941 0.068 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.989 1.897 -3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 111 14.028 0.830 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.257 0.706 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.719 1.010 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.948 -0.231 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 111 11.840 -0.709 -1.391 1.00 0.00 H new ATOM 1669 N LEU A 112 13.627 -1.717 -5.970 1.00 0.00 N ATOM 1670 CA LEU A 112 14.385 -1.674 -7.204 1.00 0.00 C ATOM 1671 C LEU A 112 14.481 -0.239 -7.680 1.00 0.00 C ATOM 1672 O LEU A 112 15.551 0.250 -8.037 1.00 0.00 O ATOM 1673 CB LEU A 112 13.707 -2.508 -8.297 1.00 0.00 C ATOM 1674 CG LEU A 112 13.721 -4.021 -8.103 1.00 0.00 C ATOM 1675 CD1 LEU A 112 12.760 -4.410 -7.004 1.00 0.00 C ATOM 1676 CD2 LEU A 112 13.367 -4.728 -9.402 1.00 0.00 C ATOM 0 H LEU A 112 12.625 -1.855 -6.105 1.00 0.00 H new ATOM 0 HA LEU A 112 15.376 -2.084 -7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.670 -2.184 -8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.189 -2.281 -9.248 1.00 0.00 H new ATOM 0 HG LEU A 112 14.725 -4.329 -7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.776 -5.492 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.057 -3.927 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.752 -4.093 -7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.382 -5.807 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.371 -4.422 -9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.094 -4.463 -10.170 1.00 0.00 H new ATOM 1688 N ALA A 113 13.341 0.434 -7.662 1.00 0.00 N ATOM 1689 CA ALA A 113 13.242 1.803 -8.126 1.00 0.00 C ATOM 1690 C ALA A 113 12.204 2.549 -7.308 1.00 0.00 C ATOM 1691 O ALA A 113 11.038 2.162 -7.268 1.00 0.00 O ATOM 1692 CB ALA A 113 12.874 1.831 -9.602 1.00 0.00 C ATOM 0 H ALA A 113 12.461 0.044 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 113 14.208 2.293 -8.001 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.802 2.865 -9.940 1.00 0.00 H new ATOM 0 HB2 ALA A 113 13.641 1.313 -10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 113 11.914 1.335 -9.747 1.00 0.00 H new ATOM 1698 N ALA A 114 12.635 3.588 -6.622 1.00 0.00 N ATOM 1699 CA ALA A 114 11.741 4.397 -5.833 1.00 0.00 C ATOM 1700 C ALA A 114 12.049 5.865 -6.036 1.00 0.00 C ATOM 1701 O ALA A 114 12.882 6.215 -6.871 1.00 0.00 O ATOM 1702 CB ALA A 114 11.854 4.019 -4.374 1.00 0.00 C ATOM 0 H ALA A 114 13.609 3.890 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 114 10.716 4.216 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.175 4.635 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.592 2.968 -4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.877 4.180 -4.035 1.00 0.00 H new ATOM 1708 N ASP A 115 11.357 6.711 -5.271 1.00 0.00 N ATOM 1709 CA ASP A 115 11.403 8.153 -5.456 1.00 0.00 C ATOM 1710 C ASP A 115 10.738 8.493 -6.779 1.00 0.00 C ATOM 1711 O ASP A 115 11.020 9.512 -7.406 1.00 0.00 O ATOM 1712 CB ASP A 115 12.843 8.675 -5.417 1.00 0.00 C ATOM 1713 CG ASP A 115 13.542 8.397 -4.104 1.00 0.00 C ATOM 1714 OD1 ASP A 115 13.249 9.089 -3.107 1.00 0.00 O ATOM 1715 OD2 ASP A 115 14.396 7.488 -4.063 1.00 0.00 O1- ATOM 0 H ASP A 115 10.751 6.411 -4.508 1.00 0.00 H new ATOM 0 HA ASP A 115 10.868 8.638 -4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.411 8.218 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.838 9.750 -5.598 1.00 0.00 H new ATOM 1720 N ILE A 116 9.820 7.619 -7.169 1.00 0.00 N ATOM 1721 CA ILE A 116 9.102 7.734 -8.411 1.00 0.00 C ATOM 1722 C ILE A 116 7.885 8.599 -8.207 1.00 0.00 C ATOM 1723 O ILE A 116 7.000 8.247 -7.440 1.00 0.00 O ATOM 1724 CB ILE A 116 8.619 6.361 -8.903 1.00 0.00 C ATOM 1725 CG1 ILE A 116 9.744 5.330 -8.825 1.00 0.00 C ATOM 1726 CG2 ILE A 116 8.083 6.474 -10.317 1.00 0.00 C ATOM 1727 CD1 ILE A 116 9.377 3.977 -9.400 1.00 0.00 C ATOM 0 H ILE A 116 9.557 6.803 -6.617 1.00 0.00 H new ATOM 0 HA ILE A 116 9.779 8.168 -9.147 1.00 0.00 H new ATOM 0 HB ILE A 116 7.812 6.021 -8.254 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.614 5.716 -9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.036 5.204 -7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.743 5.496 -10.657 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.248 7.174 -10.335 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.872 6.833 -10.978 1.00 0.00 H new ATOM 0 HD11 ILE A 116 10.226 3.300 -9.308 1.00 0.00 H new ATOM 0 HD12 ILE A 116 8.527 3.568 -8.854 1.00 0.00 H new ATOM 0 HD13 ILE A 116 9.114 4.088 -10.452 1.00 0.00 H new ATOM 1739 N GLU A 117 7.847 9.721 -8.868 1.00 0.00 N ATOM 1740 CA GLU A 117 6.686 10.590 -8.791 1.00 0.00 C ATOM 1741 C GLU A 117 5.484 9.925 -9.451 1.00 0.00 C ATOM 1742 O GLU A 117 5.437 9.762 -10.671 1.00 0.00 O ATOM 1743 CB GLU A 117 6.972 11.942 -9.434 1.00 0.00 C ATOM 1744 CG GLU A 117 8.207 12.623 -8.867 1.00 0.00 C ATOM 1745 CD GLU A 117 8.398 14.032 -9.387 1.00 0.00 C ATOM 1746 OE1 GLU A 117 8.810 14.189 -10.553 1.00 0.00 O ATOM 1747 OE2 GLU A 117 8.145 14.989 -8.625 1.00 0.00 O1- ATOM 0 H GLU A 117 8.599 10.063 -9.467 1.00 0.00 H new ATOM 0 HA GLU A 117 6.456 10.761 -7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.100 11.807 -10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.109 12.593 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.133 12.650 -7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.087 12.029 -9.112 1.00 0.00 H new ATOM 1754 N ALA A 118 4.536 9.513 -8.622 1.00 0.00 N ATOM 1755 CA ALA A 118 3.328 8.849 -9.092 1.00 0.00 C ATOM 1756 C ALA A 118 2.278 9.848 -9.553 1.00 0.00 C ATOM 1757 O ALA A 118 2.511 11.058 -9.538 1.00 0.00 O ATOM 1758 CB ALA A 118 2.739 7.964 -8.004 1.00 0.00 C ATOM 0 H ALA A 118 4.581 9.628 -7.610 1.00 0.00 H new ATOM 0 HA ALA A 118 3.616 8.233 -9.944 1.00 0.00 H new ATOM 0 HB1 ALA A 118 1.838 7.479 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.468 7.205 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.489 8.573 -7.135 1.00 0.00 H new ATOM 1764 N GLU A 119 1.125 9.321 -9.953 1.00 0.00 N ATOM 1765 CA GLU A 119 -0.020 10.132 -10.351 1.00 0.00 C ATOM 1766 C GLU A 119 -0.301 11.244 -9.338 1.00 0.00 C ATOM 1767 O GLU A 119 -0.373 12.421 -9.695 1.00 0.00 O ATOM 1768 CB GLU A 119 -1.261 9.242 -10.512 1.00 0.00 C ATOM 1769 CG GLU A 119 -1.360 8.129 -9.470 1.00 0.00 C ATOM 1770 CD GLU A 119 -2.765 7.583 -9.327 1.00 0.00 C ATOM 1771 OE1 GLU A 119 -3.137 6.656 -10.079 1.00 0.00 O ATOM 1772 OE2 GLU A 119 -3.503 8.082 -8.452 1.00 0.00 O1- ATOM 0 H GLU A 119 0.958 8.316 -10.010 1.00 0.00 H new ATOM 0 HA GLU A 119 0.218 10.602 -11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.154 9.865 -10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.251 8.796 -11.507 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.686 7.318 -9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.023 8.509 -8.506 1.00 0.00 H new ATOM 1779 N ASN A 120 -0.446 10.870 -8.075 1.00 0.00 N ATOM 1780 CA ASN A 120 -0.745 11.834 -7.031 1.00 0.00 C ATOM 1781 C ASN A 120 0.351 11.867 -5.975 1.00 0.00 C ATOM 1782 O ASN A 120 0.352 12.736 -5.114 1.00 0.00 O ATOM 1783 CB ASN A 120 -2.095 11.520 -6.374 1.00 0.00 C ATOM 1784 CG ASN A 120 -3.277 11.839 -7.269 1.00 0.00 C ATOM 1785 OD1 ASN A 120 -3.783 12.960 -7.267 1.00 0.00 O ATOM 1786 ND2 ASN A 120 -3.743 10.856 -8.023 1.00 0.00 N ATOM 0 H ASN A 120 -0.361 9.907 -7.751 1.00 0.00 H new ATOM 0 HA ASN A 120 -0.798 12.817 -7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -2.125 10.464 -6.104 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -2.183 12.088 -5.448 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -4.548 11.016 -8.629 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.297 9.939 -7.998 1.00 0.00 H new ATOM 1793 N GLY A 121 1.283 10.924 -6.036 1.00 0.00 N ATOM 1794 CA GLY A 121 2.310 10.853 -5.010 1.00 0.00 C ATOM 1795 C GLY A 121 3.594 10.248 -5.497 1.00 0.00 C ATOM 1796 O GLY A 121 4.284 10.817 -6.335 1.00 0.00 O ATOM 0 H GLY A 121 1.348 10.215 -6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 121 2.509 11.857 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 121 1.936 10.267 -4.171 1.00 0.00 H new ATOM 1800 N ILE A 122 3.897 9.080 -4.970 1.00 0.00 N ATOM 1801 CA ILE A 122 5.169 8.426 -5.187 1.00 0.00 C ATOM 1802 C ILE A 122 5.002 6.911 -5.307 1.00 0.00 C ATOM 1803 O ILE A 122 4.123 6.313 -4.687 1.00 0.00 O ATOM 1804 CB ILE A 122 6.126 8.736 -4.021 1.00 0.00 C ATOM 1805 CG1 ILE A 122 6.509 10.209 -4.017 1.00 0.00 C ATOM 1806 CG2 ILE A 122 7.377 7.882 -4.094 1.00 0.00 C ATOM 1807 CD1 ILE A 122 7.244 10.620 -5.269 1.00 0.00 C ATOM 0 H ILE A 122 3.260 8.553 -4.373 1.00 0.00 H new ATOM 0 HA ILE A 122 5.583 8.806 -6.121 1.00 0.00 H new ATOM 0 HB ILE A 122 5.601 8.501 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.609 10.815 -3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.134 10.416 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.032 8.124 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 122 7.102 6.828 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.897 8.078 -5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.493 11.680 -5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.160 10.036 -5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.611 10.441 -6.138 1.00 0.00 H new ATOM 1819 N ILE A 123 5.861 6.307 -6.108 1.00 0.00 N ATOM 1820 CA ILE A 123 5.876 4.862 -6.295 1.00 0.00 C ATOM 1821 C ILE A 123 7.215 4.283 -5.861 1.00 0.00 C ATOM 1822 O ILE A 123 8.251 4.950 -5.945 1.00 0.00 O ATOM 1823 CB ILE A 123 5.597 4.482 -7.769 1.00 0.00 C ATOM 1824 CG1 ILE A 123 4.203 4.947 -8.151 1.00 0.00 C ATOM 1825 CG2 ILE A 123 5.734 2.977 -7.995 1.00 0.00 C ATOM 1826 CD1 ILE A 123 3.904 4.854 -9.627 1.00 0.00 C ATOM 0 H ILE A 123 6.570 6.802 -6.649 1.00 0.00 H new ATOM 0 HA ILE A 123 5.084 4.442 -5.675 1.00 0.00 H new ATOM 0 HB ILE A 123 6.336 4.976 -8.400 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.471 4.352 -7.605 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.076 5.981 -7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 123 5.531 2.746 -9.041 1.00 0.00 H new ATOM 0 HG22 ILE A 123 6.747 2.662 -7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.022 2.448 -7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 123 2.889 5.205 -9.816 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.610 5.472 -10.181 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.996 3.818 -9.952 1.00 0.00 H new ATOM 1838 N HIS A 124 7.184 3.063 -5.351 1.00 0.00 N ATOM 1839 CA HIS A 124 8.410 2.333 -5.044 1.00 0.00 C ATOM 1840 C HIS A 124 8.258 0.889 -5.489 1.00 0.00 C ATOM 1841 O HIS A 124 7.383 0.177 -5.005 1.00 0.00 O ATOM 1842 CB HIS A 124 8.760 2.332 -3.547 1.00 0.00 C ATOM 1843 CG HIS A 124 8.263 3.502 -2.759 1.00 0.00 C ATOM 1844 ND1 HIS A 124 7.278 3.387 -1.808 1.00 0.00 N ATOM 1845 CD2 HIS A 124 8.643 4.801 -2.749 1.00 0.00 C ATOM 1846 CE1 HIS A 124 7.072 4.559 -1.246 1.00 0.00 C ATOM 1847 NE2 HIS A 124 7.886 5.436 -1.797 1.00 0.00 N ATOM 0 H HIS A 124 6.325 2.555 -5.140 1.00 0.00 H new ATOM 0 HA HIS A 124 9.214 2.842 -5.575 1.00 0.00 H new ATOM 0 HB2 HIS A 124 8.360 1.422 -3.101 1.00 0.00 H new ATOM 0 HB3 HIS A 124 9.844 2.286 -3.447 1.00 0.00 H new ATOM 0 HD2 HIS A 124 9.400 5.253 -3.373 1.00 0.00 H new ATOM 0 HE1 HIS A 124 6.356 4.767 -0.465 1.00 0.00 H new ATOM 0 HE2 HIS A 124 7.944 6.425 -1.555 1.00 0.00 H new ATOM 1856 N VAL A 125 9.104 0.472 -6.404 1.00 0.00 N ATOM 1857 CA VAL A 125 9.098 -0.894 -6.894 1.00 0.00 C ATOM 1858 C VAL A 125 9.883 -1.790 -5.949 1.00 0.00 C ATOM 1859 O VAL A 125 11.021 -1.485 -5.612 1.00 0.00 O ATOM 1860 CB VAL A 125 9.712 -0.963 -8.312 1.00 0.00 C ATOM 1861 CG1 VAL A 125 9.774 -2.395 -8.821 1.00 0.00 C ATOM 1862 CG2 VAL A 125 8.923 -0.084 -9.268 1.00 0.00 C ATOM 0 H VAL A 125 9.815 1.066 -6.830 1.00 0.00 H new ATOM 0 HA VAL A 125 8.065 -1.240 -6.942 1.00 0.00 H new ATOM 0 HB VAL A 125 10.735 -0.591 -8.257 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.210 -2.408 -9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 125 10.389 -2.994 -8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 125 8.767 -2.811 -8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 125 9.365 -0.141 -10.263 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.890 -0.428 -9.310 1.00 0.00 H new ATOM 0 HG23 VAL A 125 8.948 0.948 -8.918 1.00 0.00 H new ATOM 1872 N ILE A 126 9.277 -2.889 -5.517 1.00 0.00 N ATOM 1873 CA ILE A 126 9.931 -3.799 -4.596 1.00 0.00 C ATOM 1874 C ILE A 126 10.037 -5.181 -5.203 1.00 0.00 C ATOM 1875 O ILE A 126 9.348 -5.523 -6.167 1.00 0.00 O ATOM 1876 CB ILE A 126 9.234 -3.898 -3.222 1.00 0.00 C ATOM 1877 CG1 ILE A 126 7.867 -4.577 -3.336 1.00 0.00 C ATOM 1878 CG2 ILE A 126 9.106 -2.516 -2.599 1.00 0.00 C ATOM 1879 CD1 ILE A 126 6.695 -3.621 -3.271 1.00 0.00 C ATOM 0 H ILE A 126 8.335 -3.168 -5.791 1.00 0.00 H new ATOM 0 HA ILE A 126 10.923 -3.382 -4.422 1.00 0.00 H new ATOM 0 HB ILE A 126 9.850 -4.518 -2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 126 7.823 -5.125 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 126 7.769 -5.310 -2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 126 8.613 -2.598 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.098 -2.084 -2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.515 -1.875 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.764 -4.181 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.711 -3.090 -2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 126 6.765 -2.903 -4.088 1.00 0.00 H new ATOM 1891 N ASP A 127 10.911 -5.958 -4.625 1.00 0.00 N ATOM 1892 CA ASP A 127 11.297 -7.236 -5.177 1.00 0.00 C ATOM 1893 C ASP A 127 10.714 -8.367 -4.348 1.00 0.00 C ATOM 1894 O ASP A 127 11.113 -9.523 -4.454 1.00 0.00 O ATOM 1895 CB ASP A 127 12.828 -7.292 -5.230 1.00 0.00 C ATOM 1896 CG ASP A 127 13.378 -8.559 -5.839 1.00 0.00 C ATOM 1897 OD1 ASP A 127 13.158 -8.781 -7.045 1.00 0.00 O ATOM 1898 OD2 ASP A 127 14.049 -9.323 -5.109 1.00 0.00 O1- ATOM 0 H ASP A 127 11.382 -5.724 -3.751 1.00 0.00 H new ATOM 0 HA ASP A 127 10.904 -7.353 -6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 127 13.192 -6.439 -5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 127 13.220 -7.188 -4.218 1.00 0.00 H new ATOM 1903 N THR A 128 9.732 -8.029 -3.537 1.00 0.00 N ATOM 1904 CA THR A 128 9.160 -8.983 -2.619 1.00 0.00 C ATOM 1905 C THR A 128 7.742 -8.581 -2.222 1.00 0.00 C ATOM 1906 O THR A 128 7.487 -7.427 -1.885 1.00 0.00 O ATOM 1907 CB THR A 128 10.048 -9.100 -1.371 1.00 0.00 C ATOM 1908 OG1 THR A 128 11.342 -9.608 -1.727 1.00 0.00 O ATOM 1909 CG2 THR A 128 9.422 -9.986 -0.317 1.00 0.00 C ATOM 0 H THR A 128 9.316 -7.099 -3.498 1.00 0.00 H new ATOM 0 HA THR A 128 9.108 -9.951 -3.117 1.00 0.00 H new ATOM 0 HB THR A 128 10.152 -8.100 -0.950 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.899 -9.676 -0.924 1.00 0.00 H new ATOM 0 HG21 THR A 128 10.081 -10.043 0.549 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.461 -9.569 -0.015 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.272 -10.986 -0.725 1.00 0.00 H new ATOM 1917 N VAL A 129 6.823 -9.530 -2.318 1.00 0.00 N ATOM 1918 CA VAL A 129 5.464 -9.341 -1.855 1.00 0.00 C ATOM 1919 C VAL A 129 5.390 -9.632 -0.360 1.00 0.00 C ATOM 1920 O VAL A 129 5.155 -8.692 0.424 1.00 0.00 O ATOM 1921 CB VAL A 129 4.484 -10.266 -2.617 1.00 0.00 C ATOM 1922 CG1 VAL A 129 3.135 -10.298 -1.943 1.00 0.00 C ATOM 1923 CG2 VAL A 129 4.336 -9.815 -4.063 1.00 0.00 C ATOM 0 H VAL A 129 7.002 -10.451 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 129 5.175 -8.307 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 129 4.898 -11.274 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.466 -10.955 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.246 -10.670 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.717 -9.292 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.643 -10.478 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.951 -8.796 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 129 5.308 -9.848 -4.556 1.00 0.00 H new