USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 ASN : amide:sc= -1.79 X(o=-4.2,f=-3.9!) USER MOD Set 1.2: A 37 HIS : no HE2:sc= -2.43 X(o=-4.2,f=-3.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0348 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc=-0.00371 (180deg=-0.106) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= -1.91 (180deg=-2.02!) USER MOD Single : A 12 THR OG1 : rot 48:sc= 0.64 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.313 K(o=-0.31,f=-0.83) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -80:sc= -0.722 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -140:sc= -0.113 (180deg=-0.66) USER MOD Single : A 44 MET CE :methyl -136:sc= -0.902 (180deg=-3.71!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 30:sc= -0.827 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.0788 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 16:sc= 0.823 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -2.31 K(o=-2.3,f=-6.3!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -52:sc= 0.783 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 78 MET CE :methyl 145:sc= -1.35 (180deg=-4!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.8) USER MOD Single : A 89 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.4) USER MOD Single : A 90 GLN : amide:sc= -0.63 K(o=-0.63,f=-2.7!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.862 5.551 14.310 1.00 0.00 N ATOM 2 CA MET A 1 20.790 6.216 13.578 1.00 0.00 C ATOM 3 C MET A 1 21.354 7.093 12.465 1.00 0.00 C ATOM 4 O MET A 1 22.422 7.687 12.611 1.00 0.00 O ATOM 5 CB MET A 1 19.941 7.062 14.529 1.00 0.00 C ATOM 6 CG MET A 1 18.871 6.266 15.259 1.00 0.00 C ATOM 7 SD MET A 1 17.337 6.141 14.320 1.00 0.00 S ATOM 8 CE MET A 1 16.216 5.540 15.582 1.00 0.00 C ATOM 0 H1 MET A 1 21.664 5.593 15.330 1.00 0.00 H new ATOM 0 H2 MET A 1 21.923 4.557 14.010 1.00 0.00 H new ATOM 0 H3 MET A 1 22.765 6.028 14.113 1.00 0.00 H new ATOM 0 HA MET A 1 20.161 5.448 13.128 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.594 7.535 15.262 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.464 7.862 13.963 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.247 5.265 15.468 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.666 6.736 16.221 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.222 5.412 15.154 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.574 4.583 15.961 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.169 6.259 16.400 1.00 0.00 H new ATOM 18 N ALA A 2 20.630 7.169 11.353 1.00 0.00 N ATOM 19 CA ALA A 2 21.059 7.975 10.216 1.00 0.00 C ATOM 20 C ALA A 2 19.861 8.560 9.476 1.00 0.00 C ATOM 21 O ALA A 2 18.769 7.992 9.496 1.00 0.00 O ATOM 22 CB ALA A 2 21.911 7.142 9.270 1.00 0.00 C ATOM 0 H ALA A 2 19.744 6.683 11.215 1.00 0.00 H new ATOM 0 HA ALA A 2 21.659 8.803 10.594 1.00 0.00 H new ATOM 0 HB1 ALA A 2 22.224 7.756 8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 2 22.791 6.777 9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 2 21.329 6.295 8.906 1.00 0.00 H new ATOM 28 N ASP A 3 20.073 9.698 8.824 1.00 0.00 N ATOM 29 CA ASP A 3 19.010 10.361 8.077 1.00 0.00 C ATOM 30 C ASP A 3 18.801 9.693 6.722 1.00 0.00 C ATOM 31 O ASP A 3 19.720 9.091 6.168 1.00 0.00 O ATOM 32 CB ASP A 3 19.340 11.842 7.884 1.00 0.00 C ATOM 33 CG ASP A 3 19.266 12.625 9.180 1.00 0.00 C ATOM 34 OD1 ASP A 3 18.965 12.014 10.226 1.00 0.00 O ATOM 35 OD2 ASP A 3 19.509 13.850 9.148 1.00 0.00 O ATOM 0 H ASP A 3 20.971 10.181 8.798 1.00 0.00 H new ATOM 0 HA ASP A 3 18.087 10.274 8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 3 20.341 11.936 7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 3 18.648 12.274 7.162 1.00 0.00 H new ATOM 40 N GLU A 4 17.585 9.801 6.195 1.00 0.00 N ATOM 41 CA GLU A 4 17.256 9.206 4.906 1.00 0.00 C ATOM 42 C GLU A 4 16.600 10.230 3.984 1.00 0.00 C ATOM 43 O GLU A 4 15.795 11.052 4.423 1.00 0.00 O ATOM 44 CB GLU A 4 16.325 8.006 5.096 1.00 0.00 C ATOM 45 CG GLU A 4 14.987 8.366 5.720 1.00 0.00 C ATOM 46 CD GLU A 4 14.384 7.220 6.508 1.00 0.00 C ATOM 47 OE1 GLU A 4 14.947 6.865 7.565 1.00 0.00 O ATOM 48 OE2 GLU A 4 13.348 6.679 6.069 1.00 0.00 O ATOM 0 H GLU A 4 16.812 10.295 6.641 1.00 0.00 H new ATOM 0 HA GLU A 4 18.184 8.869 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 4 16.150 7.536 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 4 16.822 7.267 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.117 9.226 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.293 8.667 4.935 1.00 0.00 H new ATOM 55 N LYS A 5 16.951 10.176 2.704 1.00 0.00 N ATOM 56 CA LYS A 5 16.398 11.097 1.719 1.00 0.00 C ATOM 57 C LYS A 5 16.047 10.366 0.427 1.00 0.00 C ATOM 58 O LYS A 5 16.728 10.491 -0.591 1.00 0.00 O ATOM 59 CB LYS A 5 17.394 12.222 1.426 1.00 0.00 C ATOM 60 CG LYS A 5 17.818 12.996 2.662 1.00 0.00 C ATOM 61 CD LYS A 5 18.407 14.349 2.298 1.00 0.00 C ATOM 62 CE LYS A 5 19.742 14.202 1.584 1.00 0.00 C ATOM 63 NZ LYS A 5 20.811 13.719 2.501 1.00 0.00 N ATOM 0 H LYS A 5 17.617 9.503 2.324 1.00 0.00 H new ATOM 0 HA LYS A 5 15.485 11.526 2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.279 11.798 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.949 12.913 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.958 13.137 3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.553 12.417 3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.709 14.891 1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.540 14.944 3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.634 13.505 0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.034 15.162 1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.736 13.808 2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.806 14.289 3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.639 12.722 2.740 1.00 0.00 H new ATOM 77 N PRO A 6 14.957 9.586 0.466 1.00 0.00 N ATOM 78 CA PRO A 6 14.489 8.821 -0.694 1.00 0.00 C ATOM 79 C PRO A 6 13.928 9.718 -1.792 1.00 0.00 C ATOM 80 O PRO A 6 13.036 10.531 -1.548 1.00 0.00 O ATOM 81 CB PRO A 6 13.386 7.933 -0.113 1.00 0.00 C ATOM 82 CG PRO A 6 12.899 8.671 1.087 1.00 0.00 C ATOM 83 CD PRO A 6 14.096 9.390 1.645 1.00 0.00 C ATOM 0 HA PRO A 6 15.298 8.264 -1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.584 7.776 -0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.770 6.949 0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.111 9.375 0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.478 7.986 1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 6 13.817 10.340 2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 6 14.596 8.801 2.414 1.00 0.00 H new ATOM 91 N LYS A 7 14.454 9.564 -3.002 1.00 0.00 N ATOM 92 CA LYS A 7 14.005 10.359 -4.139 1.00 0.00 C ATOM 93 C LYS A 7 13.755 9.475 -5.356 1.00 0.00 C ATOM 94 O LYS A 7 14.174 9.799 -6.467 1.00 0.00 O ATOM 95 CB LYS A 7 15.042 11.432 -4.480 1.00 0.00 C ATOM 96 CG LYS A 7 16.456 10.891 -4.612 1.00 0.00 C ATOM 97 CD LYS A 7 17.312 11.780 -5.499 1.00 0.00 C ATOM 98 CE LYS A 7 17.756 13.036 -4.766 1.00 0.00 C ATOM 99 NZ LYS A 7 18.823 13.763 -5.508 1.00 0.00 N ATOM 0 H LYS A 7 15.192 8.895 -3.221 1.00 0.00 H new ATOM 0 HA LYS A 7 13.068 10.843 -3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.758 11.916 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.026 12.200 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.911 10.814 -3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 7 16.424 9.884 -5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.188 11.225 -5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.749 12.057 -6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.900 13.695 -4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.121 12.768 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.098 14.613 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.650 13.143 -5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.467 14.041 -6.445 1.00 0.00 H new ATOM 113 N GLU A 8 13.069 8.357 -5.139 1.00 0.00 N ATOM 114 CA GLU A 8 12.763 7.427 -6.220 1.00 0.00 C ATOM 115 C GLU A 8 11.617 7.951 -7.081 1.00 0.00 C ATOM 116 O GLU A 8 11.151 9.074 -6.896 1.00 0.00 O ATOM 117 CB GLU A 8 12.401 6.053 -5.653 1.00 0.00 C ATOM 118 CG GLU A 8 13.456 5.483 -4.719 1.00 0.00 C ATOM 119 CD GLU A 8 13.115 4.086 -4.237 1.00 0.00 C ATOM 120 OE1 GLU A 8 12.960 3.185 -5.088 1.00 0.00 O ATOM 121 OE2 GLU A 8 13.003 3.894 -3.008 1.00 0.00 O ATOM 0 H GLU A 8 12.715 8.074 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 8 13.651 7.332 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.455 6.128 -5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.245 5.358 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.417 5.462 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.569 6.143 -3.859 1.00 0.00 H new ATOM 128 N GLY A 9 11.169 7.128 -8.025 1.00 0.00 N ATOM 129 CA GLY A 9 10.083 7.526 -8.901 1.00 0.00 C ATOM 130 C GLY A 9 10.128 6.815 -10.239 1.00 0.00 C ATOM 131 O GLY A 9 11.177 6.748 -10.880 1.00 0.00 O ATOM 0 H GLY A 9 11.539 6.193 -8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.131 7.316 -8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.127 8.603 -9.063 1.00 0.00 H new ATOM 135 N VAL A 10 8.987 6.282 -10.663 1.00 0.00 N ATOM 136 CA VAL A 10 8.900 5.572 -11.933 1.00 0.00 C ATOM 137 C VAL A 10 7.772 6.126 -12.796 1.00 0.00 C ATOM 138 O VAL A 10 7.097 5.382 -13.509 1.00 0.00 O ATOM 139 CB VAL A 10 8.673 4.063 -11.719 1.00 0.00 C ATOM 140 CG1 VAL A 10 9.920 3.414 -11.137 1.00 0.00 C ATOM 141 CG2 VAL A 10 7.470 3.828 -10.818 1.00 0.00 C ATOM 0 H VAL A 10 8.109 6.329 -10.145 1.00 0.00 H new ATOM 0 HA VAL A 10 9.852 5.720 -12.444 1.00 0.00 H new ATOM 0 HB VAL A 10 8.469 3.602 -12.686 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.742 2.348 -10.992 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.756 3.552 -11.823 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.157 3.876 -10.178 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.324 2.757 -10.678 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.642 4.301 -9.851 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.581 4.258 -11.279 1.00 0.00 H new ATOM 151 N LYS A 11 7.572 7.438 -12.728 1.00 0.00 N ATOM 152 CA LYS A 11 6.527 8.094 -13.505 1.00 0.00 C ATOM 153 C LYS A 11 6.767 9.599 -13.577 1.00 0.00 C ATOM 154 O LYS A 11 7.548 10.152 -12.803 1.00 0.00 O ATOM 155 CB LYS A 11 5.154 7.815 -12.889 1.00 0.00 C ATOM 156 CG LYS A 11 5.119 7.981 -11.379 1.00 0.00 C ATOM 157 CD LYS A 11 3.755 7.628 -10.810 1.00 0.00 C ATOM 158 CE LYS A 11 3.444 6.150 -10.986 1.00 0.00 C ATOM 159 NZ LYS A 11 4.505 5.286 -10.397 1.00 0.00 N ATOM 0 H LYS A 11 8.120 8.068 -12.142 1.00 0.00 H new ATOM 0 HA LYS A 11 6.553 7.690 -14.517 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.421 8.486 -13.337 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.852 6.799 -13.141 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.879 7.346 -10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.367 9.010 -11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.724 7.884 -9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.988 8.224 -11.305 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.487 5.922 -10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.340 5.925 -12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.318 4.292 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.432 5.567 -10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.507 5.395 -9.363 1.00 0.00 H new ATOM 173 N THR A 12 6.089 10.257 -14.513 1.00 0.00 N ATOM 174 CA THR A 12 6.229 11.698 -14.686 1.00 0.00 C ATOM 175 C THR A 12 4.866 12.373 -14.794 1.00 0.00 C ATOM 176 O THR A 12 4.210 12.303 -15.832 1.00 0.00 O ATOM 177 CB THR A 12 7.057 12.035 -15.940 1.00 0.00 C ATOM 178 OG1 THR A 12 6.473 11.417 -17.093 1.00 0.00 O ATOM 179 CG2 THR A 12 8.495 11.567 -15.781 1.00 0.00 C ATOM 0 H THR A 12 5.438 9.815 -15.162 1.00 0.00 H new ATOM 0 HA THR A 12 6.749 12.074 -13.805 1.00 0.00 H new ATOM 0 HB THR A 12 7.057 13.117 -16.069 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.508 11.590 -17.104 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.060 11.816 -16.679 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.945 12.061 -14.920 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.512 10.488 -15.629 1.00 0.00 H new ATOM 187 N GLU A 13 4.448 13.027 -13.715 1.00 0.00 N ATOM 188 CA GLU A 13 3.162 13.715 -13.690 1.00 0.00 C ATOM 189 C GLU A 13 3.185 14.875 -12.698 1.00 0.00 C ATOM 190 O GLU A 13 3.982 14.888 -11.761 1.00 0.00 O ATOM 191 CB GLU A 13 2.043 12.738 -13.323 1.00 0.00 C ATOM 192 CG GLU A 13 1.647 11.812 -14.460 1.00 0.00 C ATOM 193 CD GLU A 13 0.174 11.451 -14.433 1.00 0.00 C ATOM 194 OE1 GLU A 13 -0.663 12.377 -14.466 1.00 0.00 O ATOM 195 OE2 GLU A 13 -0.141 10.244 -14.378 1.00 0.00 O ATOM 0 H GLU A 13 4.980 13.095 -12.848 1.00 0.00 H new ATOM 0 HA GLU A 13 2.973 14.115 -14.686 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.361 12.138 -12.471 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.168 13.304 -13.005 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.883 12.289 -15.411 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.242 10.900 -14.405 1.00 0.00 H new ATOM 202 N ASN A 14 2.305 15.847 -12.913 1.00 0.00 N ATOM 203 CA ASN A 14 2.224 17.012 -12.040 1.00 0.00 C ATOM 204 C ASN A 14 0.843 17.116 -11.398 1.00 0.00 C ATOM 205 O ASN A 14 0.355 18.212 -11.126 1.00 0.00 O ATOM 206 CB ASN A 14 2.530 18.287 -12.827 1.00 0.00 C ATOM 207 CG ASN A 14 4.019 18.507 -13.014 1.00 0.00 C ATOM 208 OD1 ASN A 14 4.662 19.189 -12.216 1.00 0.00 O ATOM 209 ND2 ASN A 14 4.574 17.930 -14.074 1.00 0.00 N ATOM 0 H ASN A 14 1.638 15.851 -13.684 1.00 0.00 H new ATOM 0 HA ASN A 14 2.965 16.895 -11.249 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.048 18.233 -13.803 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.101 19.144 -12.307 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.572 18.044 -14.253 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.002 17.373 -14.709 1.00 0.00 H new ATOM 216 N ASN A 15 0.220 15.967 -11.158 1.00 0.00 N ATOM 217 CA ASN A 15 -1.104 15.928 -10.549 1.00 0.00 C ATOM 218 C ASN A 15 -1.001 15.843 -9.029 1.00 0.00 C ATOM 219 O ASN A 15 -1.350 16.786 -8.319 1.00 0.00 O ATOM 220 CB ASN A 15 -1.901 14.737 -11.084 1.00 0.00 C ATOM 221 CG ASN A 15 -3.281 15.137 -11.571 1.00 0.00 C ATOM 222 OD1 ASN A 15 -3.752 16.240 -11.297 1.00 0.00 O ATOM 223 ND2 ASN A 15 -3.936 14.237 -12.296 1.00 0.00 N ATOM 0 H ASN A 15 0.611 15.051 -11.376 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.623 16.850 -10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.350 14.273 -11.902 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.999 13.987 -10.299 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.869 14.448 -12.650 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.506 13.335 -12.499 1.00 0.00 H new ATOM 230 N ASP A 16 -0.519 14.707 -8.537 1.00 0.00 N ATOM 231 CA ASP A 16 -0.368 14.498 -7.102 1.00 0.00 C ATOM 232 C ASP A 16 0.616 13.367 -6.818 1.00 0.00 C ATOM 233 O ASP A 16 0.941 12.576 -7.704 1.00 0.00 O ATOM 234 CB ASP A 16 -1.723 14.185 -6.465 1.00 0.00 C ATOM 235 CG ASP A 16 -2.530 15.435 -6.177 1.00 0.00 C ATOM 236 OD1 ASP A 16 -2.306 16.055 -5.115 1.00 0.00 O ATOM 237 OD2 ASP A 16 -3.385 15.795 -7.013 1.00 0.00 O ATOM 0 H ASP A 16 -0.226 13.917 -9.111 1.00 0.00 H new ATOM 0 HA ASP A 16 0.026 15.416 -6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.292 13.534 -7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.567 13.635 -5.537 1.00 0.00 H new ATOM 242 N HIS A 17 1.087 13.297 -5.577 1.00 0.00 N ATOM 243 CA HIS A 17 2.034 12.263 -5.176 1.00 0.00 C ATOM 244 C HIS A 17 2.050 12.099 -3.659 1.00 0.00 C ATOM 245 O HIS A 17 2.741 12.835 -2.953 1.00 0.00 O ATOM 246 CB HIS A 17 3.437 12.604 -5.679 1.00 0.00 C ATOM 247 CG HIS A 17 3.832 14.028 -5.431 1.00 0.00 C ATOM 248 ND1 HIS A 17 4.608 14.418 -4.360 1.00 0.00 N ATOM 249 CD2 HIS A 17 3.556 15.156 -6.125 1.00 0.00 C ATOM 250 CE1 HIS A 17 4.790 15.726 -4.405 1.00 0.00 C ATOM 251 NE2 HIS A 17 4.162 16.198 -5.467 1.00 0.00 N ATOM 0 H HIS A 17 0.828 13.944 -4.832 1.00 0.00 H new ATOM 0 HA HIS A 17 1.715 11.321 -5.622 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.158 11.946 -5.194 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.490 12.402 -6.749 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.968 15.224 -7.029 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.356 16.310 -3.694 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.132 17.177 -5.752 1.00 0.00 H new ATOM 259 N ILE A 18 1.285 11.132 -3.165 1.00 0.00 N ATOM 260 CA ILE A 18 1.213 10.872 -1.733 1.00 0.00 C ATOM 261 C ILE A 18 2.194 9.780 -1.321 1.00 0.00 C ATOM 262 O ILE A 18 3.010 9.330 -2.125 1.00 0.00 O ATOM 263 CB ILE A 18 -0.208 10.456 -1.307 1.00 0.00 C ATOM 264 CG1 ILE A 18 -0.509 9.032 -1.779 1.00 0.00 C ATOM 265 CG2 ILE A 18 -1.234 11.432 -1.863 1.00 0.00 C ATOM 266 CD1 ILE A 18 -1.904 8.563 -1.432 1.00 0.00 C ATOM 0 H ILE A 18 0.706 10.516 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 18 1.477 11.803 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.267 10.478 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.375 8.980 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.216 8.350 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.233 11.125 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.028 12.433 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.177 11.439 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.047 7.546 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.036 8.582 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.636 9.222 -1.898 1.00 0.00 H new ATOM 278 N ASN A 19 2.109 9.358 -0.064 1.00 0.00 N ATOM 279 CA ASN A 19 2.989 8.318 0.455 1.00 0.00 C ATOM 280 C ASN A 19 2.186 7.226 1.157 1.00 0.00 C ATOM 281 O ASN A 19 1.388 7.506 2.052 1.00 0.00 O ATOM 282 CB ASN A 19 4.009 8.919 1.423 1.00 0.00 C ATOM 283 CG ASN A 19 5.344 8.202 1.376 1.00 0.00 C ATOM 284 OD1 ASN A 19 5.490 7.103 1.911 1.00 0.00 O ATOM 285 ND2 ASN A 19 6.327 8.823 0.735 1.00 0.00 N ATOM 0 H ASN A 19 1.439 9.721 0.614 1.00 0.00 H new ATOM 0 HA ASN A 19 3.518 7.871 -0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.157 9.972 1.183 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.612 8.876 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.248 8.390 0.671 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.161 9.733 0.306 1.00 0.00 H new ATOM 292 N LEU A 20 2.405 5.982 0.746 1.00 0.00 N ATOM 293 CA LEU A 20 1.703 4.847 1.335 1.00 0.00 C ATOM 294 C LEU A 20 2.689 3.827 1.893 1.00 0.00 C ATOM 295 O LEU A 20 3.750 3.592 1.314 1.00 0.00 O ATOM 296 CB LEU A 20 0.799 4.184 0.294 1.00 0.00 C ATOM 297 CG LEU A 20 -0.175 5.109 -0.435 1.00 0.00 C ATOM 298 CD1 LEU A 20 -0.763 6.131 0.526 1.00 0.00 C ATOM 299 CD2 LEU A 20 0.518 5.805 -1.598 1.00 0.00 C ATOM 0 H LEU A 20 3.063 5.734 0.007 1.00 0.00 H new ATOM 0 HA LEU A 20 1.089 5.218 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.431 3.696 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.224 3.400 0.788 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.990 4.504 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.454 6.780 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.297 5.615 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.040 6.731 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.191 6.459 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.353 6.396 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.889 5.058 -2.300 1.00 0.00 H new ATOM 311 N LYS A 21 2.332 3.221 3.021 1.00 0.00 N ATOM 312 CA LYS A 21 3.183 2.223 3.656 1.00 0.00 C ATOM 313 C LYS A 21 2.368 1.009 4.090 1.00 0.00 C ATOM 314 O LYS A 21 1.572 1.085 5.027 1.00 0.00 O ATOM 315 CB LYS A 21 3.899 2.828 4.866 1.00 0.00 C ATOM 316 CG LYS A 21 4.443 4.224 4.615 1.00 0.00 C ATOM 317 CD LYS A 21 5.592 4.552 5.554 1.00 0.00 C ATOM 318 CE LYS A 21 6.705 5.295 4.833 1.00 0.00 C ATOM 319 NZ LYS A 21 8.052 4.814 5.246 1.00 0.00 N ATOM 0 H LYS A 21 1.458 3.404 3.514 1.00 0.00 H new ATOM 0 HA LYS A 21 3.925 1.899 2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.207 2.863 5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.721 2.173 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.782 4.303 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.645 4.955 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.225 5.158 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.986 3.631 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.588 5.168 3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.622 6.362 5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.783 5.346 4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.174 4.958 6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.141 3.801 5.026 1.00 0.00 H new ATOM 333 N VAL A 22 2.571 -0.111 3.404 1.00 0.00 N ATOM 334 CA VAL A 22 1.856 -1.342 3.720 1.00 0.00 C ATOM 335 C VAL A 22 2.694 -2.250 4.613 1.00 0.00 C ATOM 336 O VAL A 22 3.504 -3.039 4.127 1.00 0.00 O ATOM 337 CB VAL A 22 1.470 -2.111 2.442 1.00 0.00 C ATOM 338 CG1 VAL A 22 0.441 -3.186 2.756 1.00 0.00 C ATOM 339 CG2 VAL A 22 0.947 -1.153 1.382 1.00 0.00 C ATOM 0 H VAL A 22 3.225 -0.191 2.625 1.00 0.00 H new ATOM 0 HA VAL A 22 0.948 -1.054 4.250 1.00 0.00 H new ATOM 0 HB VAL A 22 2.362 -2.600 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.181 -3.719 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.857 -3.888 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.453 -2.723 3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.679 -1.713 0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.067 -0.634 1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.720 -0.424 1.137 1.00 0.00 H new ATOM 349 N ALA A 23 2.493 -2.134 5.921 1.00 0.00 N ATOM 350 CA ALA A 23 3.228 -2.946 6.882 1.00 0.00 C ATOM 351 C ALA A 23 2.291 -3.873 7.649 1.00 0.00 C ATOM 352 O ALA A 23 1.324 -3.424 8.264 1.00 0.00 O ATOM 353 CB ALA A 23 3.998 -2.056 7.847 1.00 0.00 C ATOM 0 H ALA A 23 1.827 -1.485 6.340 1.00 0.00 H new ATOM 0 HA ALA A 23 3.937 -3.564 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.542 -2.677 8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.703 -1.440 7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.301 -1.413 8.385 1.00 0.00 H new ATOM 359 N GLY A 24 2.582 -5.170 7.606 1.00 0.00 N ATOM 360 CA GLY A 24 1.755 -6.139 8.300 1.00 0.00 C ATOM 361 C GLY A 24 2.011 -6.157 9.794 1.00 0.00 C ATOM 362 O GLY A 24 3.155 -6.049 10.234 1.00 0.00 O ATOM 0 H GLY A 24 3.376 -5.566 7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.705 -5.912 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.943 -7.132 7.891 1.00 0.00 H new ATOM 366 N GLN A 25 0.943 -6.291 10.574 1.00 0.00 N ATOM 367 CA GLN A 25 1.059 -6.320 12.027 1.00 0.00 C ATOM 368 C GLN A 25 1.939 -7.480 12.481 1.00 0.00 C ATOM 369 O GLN A 25 2.449 -7.484 13.602 1.00 0.00 O ATOM 370 CB GLN A 25 -0.325 -6.434 12.668 1.00 0.00 C ATOM 371 CG GLN A 25 -0.285 -6.597 14.179 1.00 0.00 C ATOM 372 CD GLN A 25 -1.561 -6.129 14.851 1.00 0.00 C ATOM 373 OE1 GLN A 25 -1.978 -4.982 14.686 1.00 0.00 O ATOM 374 NE2 GLN A 25 -2.188 -7.017 15.614 1.00 0.00 N ATOM 0 H GLN A 25 -0.011 -6.381 10.225 1.00 0.00 H new ATOM 0 HA GLN A 25 1.525 -5.388 12.347 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.904 -5.544 12.422 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.849 -7.285 12.233 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.114 -7.645 14.423 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.559 -6.035 14.579 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.806 -7.957 15.722 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.052 -6.759 16.092 1.00 0.00 H new ATOM 383 N ASP A 26 2.113 -8.462 11.604 1.00 0.00 N ATOM 384 CA ASP A 26 2.932 -9.628 11.913 1.00 0.00 C ATOM 385 C ASP A 26 4.415 -9.308 11.753 1.00 0.00 C ATOM 386 O ASP A 26 5.141 -9.169 12.737 1.00 0.00 O ATOM 387 CB ASP A 26 2.550 -10.801 11.010 1.00 0.00 C ATOM 388 CG ASP A 26 1.115 -11.244 11.212 1.00 0.00 C ATOM 389 OD1 ASP A 26 0.654 -11.250 12.372 1.00 0.00 O ATOM 390 OD2 ASP A 26 0.452 -11.585 10.210 1.00 0.00 O ATOM 0 H ASP A 26 1.697 -8.474 10.673 1.00 0.00 H new ATOM 0 HA ASP A 26 2.748 -9.905 12.951 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.696 -10.516 9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.217 -11.640 11.207 1.00 0.00 H new ATOM 395 N GLY A 27 4.859 -9.193 10.505 1.00 0.00 N ATOM 396 CA GLY A 27 6.254 -8.892 10.238 1.00 0.00 C ATOM 397 C GLY A 27 6.490 -8.459 8.805 1.00 0.00 C ATOM 398 O GLY A 27 7.378 -8.980 8.131 1.00 0.00 O ATOM 0 H GLY A 27 4.278 -9.303 9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.588 -8.103 10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.860 -9.772 10.453 1.00 0.00 H new ATOM 402 N SER A 28 5.691 -7.505 8.337 1.00 0.00 N ATOM 403 CA SER A 28 5.814 -7.007 6.973 1.00 0.00 C ATOM 404 C SER A 28 5.893 -5.483 6.956 1.00 0.00 C ATOM 405 O SER A 28 5.289 -4.809 7.791 1.00 0.00 O ATOM 406 CB SER A 28 4.628 -7.476 6.127 1.00 0.00 C ATOM 407 OG SER A 28 4.492 -6.688 4.957 1.00 0.00 O ATOM 0 H SER A 28 4.952 -7.062 8.883 1.00 0.00 H new ATOM 0 HA SER A 28 6.735 -7.407 6.549 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.765 -8.522 5.851 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.712 -7.419 6.716 1.00 0.00 H new ATOM 0 HG SER A 28 3.728 -7.009 4.433 1.00 0.00 H new ATOM 413 N VAL A 29 6.643 -4.946 5.999 1.00 0.00 N ATOM 414 CA VAL A 29 6.802 -3.503 5.871 1.00 0.00 C ATOM 415 C VAL A 29 7.061 -3.104 4.423 1.00 0.00 C ATOM 416 O VAL A 29 8.071 -3.489 3.833 1.00 0.00 O ATOM 417 CB VAL A 29 7.957 -2.985 6.749 1.00 0.00 C ATOM 418 CG1 VAL A 29 8.150 -1.490 6.550 1.00 0.00 C ATOM 419 CG2 VAL A 29 7.699 -3.308 8.213 1.00 0.00 C ATOM 0 H VAL A 29 7.150 -5.489 5.301 1.00 0.00 H new ATOM 0 HA VAL A 29 5.869 -3.052 6.208 1.00 0.00 H new ATOM 0 HB VAL A 29 8.875 -3.489 6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.970 -1.142 7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.384 -1.289 5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.235 -0.965 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.525 -2.935 8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.771 -2.833 8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.616 -4.388 8.338 1.00 0.00 H new ATOM 429 N VAL A 30 6.143 -2.330 3.854 1.00 0.00 N ATOM 430 CA VAL A 30 6.272 -1.877 2.474 1.00 0.00 C ATOM 431 C VAL A 30 6.088 -0.367 2.372 1.00 0.00 C ATOM 432 O VAL A 30 5.431 0.246 3.213 1.00 0.00 O ATOM 433 CB VAL A 30 5.248 -2.571 1.557 1.00 0.00 C ATOM 434 CG1 VAL A 30 5.572 -2.304 0.095 1.00 0.00 C ATOM 435 CG2 VAL A 30 5.208 -4.066 1.839 1.00 0.00 C ATOM 0 H VAL A 30 5.301 -2.003 4.328 1.00 0.00 H new ATOM 0 HA VAL A 30 7.278 -2.141 2.147 1.00 0.00 H new ATOM 0 HB VAL A 30 4.261 -2.158 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.837 -2.803 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.544 -1.231 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.567 -2.687 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.479 -4.541 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.193 -4.497 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.923 -4.233 2.878 1.00 0.00 H new ATOM 445 N GLN A 31 6.673 0.226 1.336 1.00 0.00 N ATOM 446 CA GLN A 31 6.573 1.665 1.124 1.00 0.00 C ATOM 447 C GLN A 31 6.479 1.991 -0.363 1.00 0.00 C ATOM 448 O GLN A 31 7.235 1.458 -1.175 1.00 0.00 O ATOM 449 CB GLN A 31 7.779 2.377 1.739 1.00 0.00 C ATOM 450 CG GLN A 31 9.113 1.755 1.357 1.00 0.00 C ATOM 451 CD GLN A 31 10.278 2.366 2.110 1.00 0.00 C ATOM 452 OE1 GLN A 31 10.753 3.450 1.769 1.00 0.00 O ATOM 453 NE2 GLN A 31 10.747 1.672 3.140 1.00 0.00 N ATOM 0 H GLN A 31 7.221 -0.268 0.631 1.00 0.00 H new ATOM 0 HA GLN A 31 5.664 2.017 1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.772 3.421 1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.681 2.368 2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.080 0.683 1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.273 1.877 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.323 0.778 3.388 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.531 2.033 3.684 1.00 0.00 H new ATOM 462 N PHE A 32 5.545 2.870 -0.713 1.00 0.00 N ATOM 463 CA PHE A 32 5.351 3.266 -2.103 1.00 0.00 C ATOM 464 C PHE A 32 4.814 4.691 -2.192 1.00 0.00 C ATOM 465 O PHE A 32 4.360 5.260 -1.199 1.00 0.00 O ATOM 466 CB PHE A 32 4.389 2.302 -2.801 1.00 0.00 C ATOM 467 CG PHE A 32 5.070 1.358 -3.750 1.00 0.00 C ATOM 468 CD1 PHE A 32 5.550 0.135 -3.308 1.00 0.00 C ATOM 469 CD2 PHE A 32 5.230 1.693 -5.085 1.00 0.00 C ATOM 470 CE1 PHE A 32 6.177 -0.734 -4.179 1.00 0.00 C ATOM 471 CE2 PHE A 32 5.857 0.827 -5.961 1.00 0.00 C ATOM 472 CZ PHE A 32 6.330 -0.389 -5.508 1.00 0.00 C ATOM 0 H PHE A 32 4.911 3.321 -0.053 1.00 0.00 H new ATOM 0 HA PHE A 32 6.318 3.229 -2.604 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.856 1.724 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.643 2.878 -3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.432 -0.141 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.861 2.642 -5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.548 -1.683 -3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.977 1.101 -6.999 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.818 -1.068 -6.191 1.00 0.00 H new ATOM 482 N LYS A 33 4.871 5.264 -3.390 1.00 0.00 N ATOM 483 CA LYS A 33 4.390 6.623 -3.612 1.00 0.00 C ATOM 484 C LYS A 33 3.683 6.737 -4.959 1.00 0.00 C ATOM 485 O LYS A 33 4.188 6.264 -5.977 1.00 0.00 O ATOM 486 CB LYS A 33 5.555 7.614 -3.550 1.00 0.00 C ATOM 487 CG LYS A 33 6.496 7.522 -4.738 1.00 0.00 C ATOM 488 CD LYS A 33 7.776 8.305 -4.498 1.00 0.00 C ATOM 489 CE LYS A 33 7.502 9.795 -4.369 1.00 0.00 C ATOM 490 NZ LYS A 33 8.761 10.585 -4.281 1.00 0.00 N ATOM 0 H LYS A 33 5.246 4.808 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 33 3.675 6.862 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.157 8.627 -3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.121 7.440 -2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.739 6.477 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.997 7.903 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.260 7.943 -3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.470 8.131 -5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.921 10.133 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.896 9.977 -3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.531 11.596 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.304 10.281 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.328 10.431 -5.139 1.00 0.00 H new ATOM 504 N ILE A 34 2.514 7.367 -4.956 1.00 0.00 N ATOM 505 CA ILE A 34 1.740 7.545 -6.178 1.00 0.00 C ATOM 506 C ILE A 34 0.720 8.668 -6.025 1.00 0.00 C ATOM 507 O ILE A 34 0.524 9.199 -4.931 1.00 0.00 O ATOM 508 CB ILE A 34 1.005 6.250 -6.573 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.896 6.143 -8.095 1.00 0.00 C ATOM 510 CG2 ILE A 34 -0.375 6.208 -5.933 1.00 0.00 C ATOM 511 CD1 ILE A 34 0.862 4.718 -8.600 1.00 0.00 C ATOM 0 H ILE A 34 2.082 7.763 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 34 2.449 7.806 -6.964 1.00 0.00 H new ATOM 0 HB ILE A 34 1.579 5.398 -6.208 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.007 6.658 -8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.741 6.661 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.882 5.287 -6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.274 6.242 -4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.959 7.064 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.784 4.719 -9.687 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.776 4.205 -8.302 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.001 4.202 -8.175 1.00 0.00 H new ATOM 523 N LYS A 35 0.070 9.025 -7.127 1.00 0.00 N ATOM 524 CA LYS A 35 -0.933 10.083 -7.117 1.00 0.00 C ATOM 525 C LYS A 35 -2.057 9.757 -6.139 1.00 0.00 C ATOM 526 O LYS A 35 -2.199 8.616 -5.700 1.00 0.00 O ATOM 527 CB LYS A 35 -1.506 10.285 -8.521 1.00 0.00 C ATOM 528 CG LYS A 35 -0.447 10.532 -9.581 1.00 0.00 C ATOM 529 CD LYS A 35 -0.873 9.985 -10.933 1.00 0.00 C ATOM 530 CE LYS A 35 -0.559 8.502 -11.058 1.00 0.00 C ATOM 531 NZ LYS A 35 -1.382 7.848 -12.114 1.00 0.00 N ATOM 0 H LYS A 35 0.220 8.596 -8.040 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.449 11.005 -6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.086 9.405 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.196 11.129 -8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.257 11.602 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.489 10.064 -9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.942 10.144 -11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.364 10.534 -11.726 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.498 8.373 -11.289 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.738 8.011 -10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.139 6.838 -12.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.390 7.949 -11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.192 8.300 -13.031 1.00 0.00 H new ATOM 545 N ARG A 36 -2.855 10.766 -5.804 1.00 0.00 N ATOM 546 CA ARG A 36 -3.967 10.585 -4.879 1.00 0.00 C ATOM 547 C ARG A 36 -5.182 10.004 -5.596 1.00 0.00 C ATOM 548 O ARG A 36 -6.212 9.736 -4.976 1.00 0.00 O ATOM 549 CB ARG A 36 -4.337 11.919 -4.226 1.00 0.00 C ATOM 550 CG ARG A 36 -5.053 12.878 -5.162 1.00 0.00 C ATOM 551 CD ARG A 36 -5.470 14.151 -4.443 1.00 0.00 C ATOM 552 NE ARG A 36 -6.117 15.101 -5.344 1.00 0.00 N ATOM 553 CZ ARG A 36 -6.414 16.350 -5.004 1.00 0.00 C ATOM 554 NH1 ARG A 36 -6.123 16.798 -3.791 1.00 0.00 N ATOM 555 NH2 ARG A 36 -7.004 17.155 -5.880 1.00 0.00 N ATOM 0 H ARG A 36 -2.752 11.717 -6.159 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.653 9.884 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.972 11.727 -3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.430 12.396 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.400 13.128 -5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.933 12.390 -5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.151 13.901 -3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.593 14.617 -3.993 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.354 14.788 -6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.670 16.183 -3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.352 17.758 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.229 16.814 -6.815 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.232 18.114 -5.618 1.00 0.00 H new ATOM 569 N HIS A 37 -5.054 9.811 -6.905 1.00 0.00 N ATOM 570 CA HIS A 37 -6.142 9.262 -7.706 1.00 0.00 C ATOM 571 C HIS A 37 -5.693 8.000 -8.438 1.00 0.00 C ATOM 572 O HIS A 37 -5.924 7.851 -9.639 1.00 0.00 O ATOM 573 CB HIS A 37 -6.638 10.301 -8.713 1.00 0.00 C ATOM 574 CG HIS A 37 -5.542 11.135 -9.300 1.00 0.00 C ATOM 575 ND1 HIS A 37 -5.264 12.418 -8.878 1.00 0.00 N ATOM 576 CD2 HIS A 37 -4.651 10.863 -10.282 1.00 0.00 C ATOM 577 CE1 HIS A 37 -4.251 12.900 -9.576 1.00 0.00 C ATOM 578 NE2 HIS A 37 -3.861 11.975 -10.435 1.00 0.00 N ATOM 0 H HIS A 37 -4.208 10.027 -7.433 1.00 0.00 H new ATOM 0 HA HIS A 37 -6.959 9.001 -7.034 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -7.167 9.791 -9.518 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -7.359 10.955 -8.223 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -5.763 12.917 -8.142 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.576 9.942 -10.841 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -3.816 13.882 -9.464 1.00 0.00 H new ATOM 586 N THR A 38 -5.050 7.095 -7.708 1.00 0.00 N ATOM 587 CA THR A 38 -4.567 5.848 -8.288 1.00 0.00 C ATOM 588 C THR A 38 -5.372 4.657 -7.779 1.00 0.00 C ATOM 589 O THR A 38 -5.644 4.526 -6.585 1.00 0.00 O ATOM 590 CB THR A 38 -3.077 5.620 -7.970 1.00 0.00 C ATOM 591 OG1 THR A 38 -2.287 6.662 -8.553 1.00 0.00 O ATOM 592 CG2 THR A 38 -2.612 4.270 -8.494 1.00 0.00 C ATOM 0 H THR A 38 -4.851 7.202 -6.713 1.00 0.00 H new ATOM 0 HA THR A 38 -4.691 5.933 -9.368 1.00 0.00 H new ATOM 0 HB THR A 38 -2.953 5.633 -6.887 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.151 6.475 -9.505 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.557 4.132 -8.258 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.196 3.477 -8.026 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.750 4.232 -9.575 1.00 0.00 H new ATOM 600 N PRO A 39 -5.762 3.767 -8.703 1.00 0.00 N ATOM 601 CA PRO A 39 -6.540 2.570 -8.371 1.00 0.00 C ATOM 602 C PRO A 39 -5.724 1.547 -7.588 1.00 0.00 C ATOM 603 O PRO A 39 -4.801 0.933 -8.125 1.00 0.00 O ATOM 604 CB PRO A 39 -6.930 2.009 -9.741 1.00 0.00 C ATOM 605 CG PRO A 39 -5.878 2.511 -10.669 1.00 0.00 C ATOM 606 CD PRO A 39 -5.473 3.860 -10.144 1.00 0.00 C ATOM 0 HA PRO A 39 -7.392 2.802 -7.732 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.960 0.919 -9.729 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.920 2.352 -10.042 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.026 1.831 -10.698 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.260 2.587 -11.687 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.418 4.063 -10.330 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.040 4.662 -10.617 1.00 0.00 H new ATOM 614 N LEU A 40 -6.069 1.368 -6.318 1.00 0.00 N ATOM 615 CA LEU A 40 -5.369 0.418 -5.461 1.00 0.00 C ATOM 616 C LEU A 40 -5.277 -0.951 -6.127 1.00 0.00 C ATOM 617 O LEU A 40 -4.375 -1.736 -5.835 1.00 0.00 O ATOM 618 CB LEU A 40 -6.081 0.296 -4.113 1.00 0.00 C ATOM 619 CG LEU A 40 -6.340 1.606 -3.370 1.00 0.00 C ATOM 620 CD1 LEU A 40 -7.030 1.339 -2.041 1.00 0.00 C ATOM 621 CD2 LEU A 40 -5.038 2.364 -3.154 1.00 0.00 C ATOM 0 H LEU A 40 -6.830 1.869 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.358 0.790 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.037 -0.202 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.488 -0.353 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.999 2.223 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.206 2.284 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.982 0.840 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.397 0.702 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.242 3.294 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.355 1.753 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.584 2.589 -4.119 1.00 0.00 H new ATOM 633 N SER A 41 -6.217 -1.231 -7.025 1.00 0.00 N ATOM 634 CA SER A 41 -6.243 -2.506 -7.732 1.00 0.00 C ATOM 635 C SER A 41 -4.866 -2.844 -8.294 1.00 0.00 C ATOM 636 O SER A 41 -4.317 -3.913 -8.025 1.00 0.00 O ATOM 637 CB SER A 41 -7.273 -2.465 -8.863 1.00 0.00 C ATOM 638 OG SER A 41 -7.738 -3.766 -9.176 1.00 0.00 O ATOM 0 H SER A 41 -6.970 -0.592 -7.280 1.00 0.00 H new ATOM 0 HA SER A 41 -6.526 -3.282 -7.021 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.114 -1.835 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.828 -2.012 -9.749 1.00 0.00 H new ATOM 0 HG SER A 41 -8.396 -3.713 -9.900 1.00 0.00 H new ATOM 644 N LYS A 42 -4.312 -1.926 -9.078 1.00 0.00 N ATOM 645 CA LYS A 42 -2.998 -2.123 -9.679 1.00 0.00 C ATOM 646 C LYS A 42 -1.977 -2.547 -8.628 1.00 0.00 C ATOM 647 O LYS A 42 -1.064 -3.323 -8.912 1.00 0.00 O ATOM 648 CB LYS A 42 -2.532 -0.839 -10.370 1.00 0.00 C ATOM 649 CG LYS A 42 -2.172 0.275 -9.403 1.00 0.00 C ATOM 650 CD LYS A 42 -0.675 0.329 -9.148 1.00 0.00 C ATOM 651 CE LYS A 42 0.030 1.223 -10.157 1.00 0.00 C ATOM 652 NZ LYS A 42 0.395 0.480 -11.395 1.00 0.00 N ATOM 0 H LYS A 42 -4.753 -1.037 -9.313 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.081 -2.917 -10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.665 -1.064 -10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.319 -0.489 -11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.508 1.230 -9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.698 0.124 -8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.490 0.700 -8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.260 -0.677 -9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.617 2.062 -10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.930 1.641 -9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.338 0.781 -11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.406 -0.541 -11.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.304 0.680 -12.139 1.00 0.00 H new ATOM 666 N LEU A 43 -2.138 -2.034 -7.413 1.00 0.00 N ATOM 667 CA LEU A 43 -1.231 -2.360 -6.318 1.00 0.00 C ATOM 668 C LEU A 43 -1.494 -3.769 -5.795 1.00 0.00 C ATOM 669 O LEU A 43 -0.573 -4.576 -5.667 1.00 0.00 O ATOM 670 CB LEU A 43 -1.383 -1.346 -5.184 1.00 0.00 C ATOM 671 CG LEU A 43 -0.195 -1.224 -4.229 1.00 0.00 C ATOM 672 CD1 LEU A 43 1.064 -0.838 -4.990 1.00 0.00 C ATOM 673 CD2 LEU A 43 -0.492 -0.207 -3.136 1.00 0.00 C ATOM 0 H LEU A 43 -2.888 -1.391 -7.161 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.211 -2.318 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.573 -0.366 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.266 -1.611 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.029 -2.194 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.899 -0.756 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.287 -1.601 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.910 0.120 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.364 -0.133 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.685 0.766 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.369 -0.525 -2.572 1.00 0.00 H new ATOM 685 N MET A 44 -2.756 -4.057 -5.496 1.00 0.00 N ATOM 686 CA MET A 44 -3.140 -5.370 -4.990 1.00 0.00 C ATOM 687 C MET A 44 -2.723 -6.470 -5.961 1.00 0.00 C ATOM 688 O MET A 44 -2.087 -7.449 -5.570 1.00 0.00 O ATOM 689 CB MET A 44 -4.651 -5.427 -4.754 1.00 0.00 C ATOM 690 CG MET A 44 -5.166 -6.824 -4.449 1.00 0.00 C ATOM 691 SD MET A 44 -4.471 -7.504 -2.930 1.00 0.00 S ATOM 692 CE MET A 44 -5.948 -7.686 -1.933 1.00 0.00 C ATOM 0 H MET A 44 -3.530 -3.400 -5.595 1.00 0.00 H new ATOM 0 HA MET A 44 -2.625 -5.532 -4.043 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.906 -4.766 -3.926 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.163 -5.045 -5.637 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.253 -6.797 -4.366 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.926 -7.485 -5.282 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.750 -7.331 -0.921 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.757 -7.101 -2.371 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.237 -8.736 -1.899 1.00 0.00 H new ATOM 702 N LYS A 45 -3.085 -6.303 -7.228 1.00 0.00 N ATOM 703 CA LYS A 45 -2.749 -7.281 -8.256 1.00 0.00 C ATOM 704 C LYS A 45 -1.262 -7.622 -8.216 1.00 0.00 C ATOM 705 O LYS A 45 -0.886 -8.789 -8.118 1.00 0.00 O ATOM 706 CB LYS A 45 -3.124 -6.747 -9.640 1.00 0.00 C ATOM 707 CG LYS A 45 -4.544 -7.087 -10.058 1.00 0.00 C ATOM 708 CD LYS A 45 -4.694 -8.566 -10.372 1.00 0.00 C ATOM 709 CE LYS A 45 -4.016 -8.930 -11.684 1.00 0.00 C ATOM 710 NZ LYS A 45 -4.396 -10.293 -12.145 1.00 0.00 N ATOM 0 H LYS A 45 -3.612 -5.499 -7.568 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.318 -8.189 -8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.001 -5.664 -9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.430 -7.152 -10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.235 -6.812 -9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.817 -6.499 -10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.263 -9.156 -9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.752 -8.822 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.286 -8.200 -12.447 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.934 -8.877 -11.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.913 -10.503 -13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.115 -10.993 -11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.425 -10.337 -12.287 1.00 0.00 H new ATOM 724 N ALA A 46 -0.422 -6.595 -8.293 1.00 0.00 N ATOM 725 CA ALA A 46 1.022 -6.785 -8.262 1.00 0.00 C ATOM 726 C ALA A 46 1.467 -7.400 -6.939 1.00 0.00 C ATOM 727 O ALA A 46 2.246 -8.354 -6.918 1.00 0.00 O ATOM 728 CB ALA A 46 1.735 -5.461 -8.497 1.00 0.00 C ATOM 0 H ALA A 46 -0.718 -5.622 -8.377 1.00 0.00 H new ATOM 0 HA ALA A 46 1.289 -7.476 -9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.813 -5.619 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.450 -5.062 -9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.453 -4.753 -7.718 1.00 0.00 H new ATOM 734 N TYR A 47 0.969 -6.848 -5.839 1.00 0.00 N ATOM 735 CA TYR A 47 1.318 -7.340 -4.512 1.00 0.00 C ATOM 736 C TYR A 47 1.140 -8.853 -4.427 1.00 0.00 C ATOM 737 O TYR A 47 2.115 -9.599 -4.328 1.00 0.00 O ATOM 738 CB TYR A 47 0.458 -6.654 -3.448 1.00 0.00 C ATOM 739 CG TYR A 47 1.139 -6.536 -2.103 1.00 0.00 C ATOM 740 CD1 TYR A 47 1.708 -7.645 -1.490 1.00 0.00 C ATOM 741 CD2 TYR A 47 1.214 -5.314 -1.446 1.00 0.00 C ATOM 742 CE1 TYR A 47 2.330 -7.542 -0.261 1.00 0.00 C ATOM 743 CE2 TYR A 47 1.836 -5.200 -0.217 1.00 0.00 C ATOM 744 CZ TYR A 47 2.391 -6.317 0.371 1.00 0.00 C ATOM 745 OH TYR A 47 3.011 -6.210 1.595 1.00 0.00 O ATOM 0 H TYR A 47 0.322 -6.059 -5.840 1.00 0.00 H new ATOM 0 HA TYR A 47 2.367 -7.105 -4.330 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.188 -5.658 -3.798 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.471 -7.212 -3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.663 -8.605 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.779 -4.438 -1.904 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.766 -8.415 0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.887 -4.242 0.280 1.00 0.00 H new ATOM 0 HH TYR A 47 3.724 -6.879 1.660 1.00 0.00 H new ATOM 755 N CYS A 48 -0.111 -9.298 -4.469 1.00 0.00 N ATOM 756 CA CYS A 48 -0.418 -10.722 -4.398 1.00 0.00 C ATOM 757 C CYS A 48 0.391 -11.505 -5.426 1.00 0.00 C ATOM 758 O CYS A 48 0.852 -12.613 -5.153 1.00 0.00 O ATOM 759 CB CYS A 48 -1.913 -10.954 -4.623 1.00 0.00 C ATOM 760 SG CYS A 48 -2.419 -12.685 -4.492 1.00 0.00 S ATOM 0 H CYS A 48 -0.929 -8.694 -4.552 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.148 -11.078 -3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.474 -10.367 -3.896 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.183 -10.581 -5.611 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.699 -12.779 -4.696 1.00 0.00 H new ATOM 766 N GLU A 49 0.558 -10.922 -6.609 1.00 0.00 N ATOM 767 CA GLU A 49 1.309 -11.568 -7.679 1.00 0.00 C ATOM 768 C GLU A 49 2.672 -12.038 -7.179 1.00 0.00 C ATOM 769 O GLU A 49 3.216 -13.028 -7.668 1.00 0.00 O ATOM 770 CB GLU A 49 1.489 -10.608 -8.857 1.00 0.00 C ATOM 771 CG GLU A 49 0.646 -10.967 -10.069 1.00 0.00 C ATOM 772 CD GLU A 49 1.066 -12.279 -10.704 1.00 0.00 C ATOM 773 OE1 GLU A 49 2.201 -12.352 -11.220 1.00 0.00 O ATOM 774 OE2 GLU A 49 0.260 -13.232 -10.683 1.00 0.00 O ATOM 0 H GLU A 49 0.184 -10.004 -6.850 1.00 0.00 H new ATOM 0 HA GLU A 49 0.743 -12.438 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.235 -9.598 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.540 -10.595 -9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.401 -11.030 -9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.721 -10.169 -10.808 1.00 0.00 H new ATOM 781 N ARG A 50 3.217 -11.321 -6.203 1.00 0.00 N ATOM 782 CA ARG A 50 4.517 -11.663 -5.638 1.00 0.00 C ATOM 783 C ARG A 50 4.371 -12.172 -4.207 1.00 0.00 C ATOM 784 O ARG A 50 5.317 -12.704 -3.628 1.00 0.00 O ATOM 785 CB ARG A 50 5.445 -10.447 -5.665 1.00 0.00 C ATOM 786 CG ARG A 50 4.959 -9.290 -4.808 1.00 0.00 C ATOM 787 CD ARG A 50 6.121 -8.474 -4.264 1.00 0.00 C ATOM 788 NE ARG A 50 6.997 -7.992 -5.328 1.00 0.00 N ATOM 789 CZ ARG A 50 7.946 -7.081 -5.143 1.00 0.00 C ATOM 790 NH1 ARG A 50 8.140 -6.556 -3.941 1.00 0.00 N ATOM 791 NH2 ARG A 50 8.703 -6.693 -6.161 1.00 0.00 N ATOM 0 H ARG A 50 2.779 -10.499 -5.787 1.00 0.00 H new ATOM 0 HA ARG A 50 4.951 -12.457 -6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.435 -10.749 -5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.552 -10.105 -6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.306 -8.647 -5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.363 -9.674 -3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.735 -7.625 -3.700 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.697 -9.083 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 50 6.874 -8.376 -6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.560 -6.851 -3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.869 -5.857 -3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.557 -7.094 -7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.431 -5.993 -6.017 1.00 0.00 H new ATOM 805 N GLN A 51 3.179 -12.003 -3.643 1.00 0.00 N ATOM 806 CA GLN A 51 2.910 -12.445 -2.280 1.00 0.00 C ATOM 807 C GLN A 51 1.619 -13.255 -2.214 1.00 0.00 C ATOM 808 O GLN A 51 0.779 -13.034 -1.343 1.00 0.00 O ATOM 809 CB GLN A 51 2.819 -11.241 -1.340 1.00 0.00 C ATOM 810 CG GLN A 51 4.149 -10.540 -1.118 1.00 0.00 C ATOM 811 CD GLN A 51 4.889 -11.063 0.097 1.00 0.00 C ATOM 812 OE1 GLN A 51 5.814 -11.867 -0.023 1.00 0.00 O ATOM 813 NE2 GLN A 51 4.485 -10.608 1.277 1.00 0.00 N ATOM 0 H GLN A 51 2.385 -11.564 -4.109 1.00 0.00 H new ATOM 0 HA GLN A 51 3.734 -13.084 -1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.105 -10.526 -1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.427 -11.571 -0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.774 -10.667 -2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.976 -9.470 -1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.714 -9.942 1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.946 -10.924 2.130 1.00 0.00 H new ATOM 822 N GLY A 52 1.468 -14.195 -3.143 1.00 0.00 N ATOM 823 CA GLY A 52 0.277 -15.023 -3.173 1.00 0.00 C ATOM 824 C GLY A 52 0.288 -16.093 -2.099 1.00 0.00 C ATOM 825 O GLY A 52 0.368 -17.285 -2.401 1.00 0.00 O ATOM 0 H GLY A 52 2.149 -14.397 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.603 -14.393 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.191 -15.495 -4.152 1.00 0.00 H new ATOM 829 N LEU A 53 0.209 -15.669 -0.843 1.00 0.00 N ATOM 830 CA LEU A 53 0.211 -16.600 0.280 1.00 0.00 C ATOM 831 C LEU A 53 -1.212 -16.973 0.681 1.00 0.00 C ATOM 832 O LEU A 53 -1.477 -18.105 1.085 1.00 0.00 O ATOM 833 CB LEU A 53 0.946 -15.987 1.474 1.00 0.00 C ATOM 834 CG LEU A 53 2.312 -15.369 1.176 1.00 0.00 C ATOM 835 CD1 LEU A 53 2.964 -14.872 2.457 1.00 0.00 C ATOM 836 CD2 LEU A 53 3.212 -16.376 0.474 1.00 0.00 C ATOM 0 H LEU A 53 0.143 -14.687 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 53 0.730 -17.507 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.309 -15.218 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.077 -16.761 2.231 1.00 0.00 H new ATOM 0 HG LEU A 53 2.166 -14.517 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.935 -14.435 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.328 -14.117 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.096 -15.707 3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.180 -15.918 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.350 -17.248 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.751 -16.684 -0.465 1.00 0.00 H new ATOM 848 N SER A 54 -2.125 -16.014 0.565 1.00 0.00 N ATOM 849 CA SER A 54 -3.522 -16.241 0.917 1.00 0.00 C ATOM 850 C SER A 54 -4.426 -15.212 0.245 1.00 0.00 C ATOM 851 O SER A 54 -4.651 -14.126 0.778 1.00 0.00 O ATOM 852 CB SER A 54 -3.703 -16.182 2.435 1.00 0.00 C ATOM 853 OG SER A 54 -3.234 -17.368 3.051 1.00 0.00 O ATOM 0 H SER A 54 -1.922 -15.072 0.230 1.00 0.00 H new ATOM 0 HA SER A 54 -3.804 -17.232 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.164 -15.323 2.835 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.757 -16.037 2.673 1.00 0.00 H new ATOM 0 HG SER A 54 -2.667 -17.861 2.422 1.00 0.00 H new ATOM 859 N MET A 55 -4.940 -15.563 -0.929 1.00 0.00 N ATOM 860 CA MET A 55 -5.820 -14.671 -1.675 1.00 0.00 C ATOM 861 C MET A 55 -7.050 -14.305 -0.849 1.00 0.00 C ATOM 862 O MET A 55 -7.671 -13.265 -1.070 1.00 0.00 O ATOM 863 CB MET A 55 -6.251 -15.325 -2.989 1.00 0.00 C ATOM 864 CG MET A 55 -7.324 -14.547 -3.732 1.00 0.00 C ATOM 865 SD MET A 55 -7.357 -14.920 -5.496 1.00 0.00 S ATOM 866 CE MET A 55 -8.402 -16.375 -5.515 1.00 0.00 C ATOM 0 H MET A 55 -4.762 -16.458 -1.384 1.00 0.00 H new ATOM 0 HA MET A 55 -5.267 -13.758 -1.896 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.379 -15.433 -3.635 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.620 -16.329 -2.781 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.298 -14.774 -3.298 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.155 -13.479 -3.594 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.518 -16.726 -6.540 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.944 -17.159 -4.912 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.380 -16.126 -5.104 1.00 0.00 H new ATOM 876 N ARG A 56 -7.395 -15.166 0.103 1.00 0.00 N ATOM 877 CA ARG A 56 -8.551 -14.933 0.960 1.00 0.00 C ATOM 878 C ARG A 56 -8.132 -14.276 2.272 1.00 0.00 C ATOM 879 O ARG A 56 -8.908 -14.221 3.225 1.00 0.00 O ATOM 880 CB ARG A 56 -9.274 -16.251 1.247 1.00 0.00 C ATOM 881 CG ARG A 56 -9.485 -17.111 0.011 1.00 0.00 C ATOM 882 CD ARG A 56 -10.074 -18.466 0.370 1.00 0.00 C ATOM 883 NE ARG A 56 -9.058 -19.391 0.865 1.00 0.00 N ATOM 884 CZ ARG A 56 -9.341 -20.522 1.503 1.00 0.00 C ATOM 885 NH1 ARG A 56 -10.602 -20.865 1.721 1.00 0.00 N ATOM 886 NH2 ARG A 56 -8.360 -21.311 1.922 1.00 0.00 N ATOM 0 H ARG A 56 -6.891 -16.031 0.300 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.230 -14.260 0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.701 -16.818 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.242 -16.034 1.698 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.150 -16.596 -0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.534 -17.251 -0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.846 -18.336 1.128 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.558 -18.895 -0.508 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.077 -19.156 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.358 -20.261 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.817 -21.733 2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.388 -21.050 1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.577 -22.179 2.412 1.00 0.00 H new ATOM 900 N GLN A 57 -6.900 -13.778 2.311 1.00 0.00 N ATOM 901 CA GLN A 57 -6.377 -13.125 3.505 1.00 0.00 C ATOM 902 C GLN A 57 -5.834 -11.739 3.175 1.00 0.00 C ATOM 903 O GLN A 57 -6.040 -10.786 3.927 1.00 0.00 O ATOM 904 CB GLN A 57 -5.278 -13.979 4.139 1.00 0.00 C ATOM 905 CG GLN A 57 -4.948 -13.583 5.569 1.00 0.00 C ATOM 906 CD GLN A 57 -4.409 -14.740 6.386 1.00 0.00 C ATOM 907 OE1 GLN A 57 -3.339 -14.645 6.988 1.00 0.00 O ATOM 908 NE2 GLN A 57 -5.149 -15.842 6.412 1.00 0.00 N ATOM 0 H GLN A 57 -6.246 -13.814 1.529 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.196 -13.014 4.215 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.587 -15.024 4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.375 -13.904 3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.214 -12.778 5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.844 -13.191 6.049 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.030 -15.877 5.898 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.837 -16.653 6.946 1.00 0.00 H new ATOM 917 N ILE A 58 -5.140 -11.635 2.047 1.00 0.00 N ATOM 918 CA ILE A 58 -4.568 -10.364 1.617 1.00 0.00 C ATOM 919 C ILE A 58 -5.654 -9.311 1.421 1.00 0.00 C ATOM 920 O ILE A 58 -6.502 -9.437 0.538 1.00 0.00 O ATOM 921 CB ILE A 58 -3.775 -10.519 0.306 1.00 0.00 C ATOM 922 CG1 ILE A 58 -2.648 -11.538 0.483 1.00 0.00 C ATOM 923 CG2 ILE A 58 -3.217 -9.175 -0.137 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.591 -11.104 1.475 1.00 0.00 C ATOM 0 H ILE A 58 -4.960 -12.415 1.414 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.889 -10.040 2.406 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.450 -10.884 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.075 -12.486 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.176 -11.717 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.659 -9.301 -1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.037 -8.476 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.554 -8.784 0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.824 -11.875 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.137 -10.172 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.049 -10.953 2.452 1.00 0.00 H new ATOM 936 N ARG A 59 -5.619 -8.272 2.249 1.00 0.00 N ATOM 937 CA ARG A 59 -6.599 -7.196 2.166 1.00 0.00 C ATOM 938 C ARG A 59 -6.081 -5.935 2.850 1.00 0.00 C ATOM 939 O ARG A 59 -5.348 -6.007 3.837 1.00 0.00 O ATOM 940 CB ARG A 59 -7.920 -7.630 2.805 1.00 0.00 C ATOM 941 CG ARG A 59 -9.080 -6.697 2.501 1.00 0.00 C ATOM 942 CD ARG A 59 -9.675 -6.977 1.130 1.00 0.00 C ATOM 943 NE ARG A 59 -9.013 -6.210 0.079 1.00 0.00 N ATOM 944 CZ ARG A 59 -9.529 -6.025 -1.132 1.00 0.00 C ATOM 945 NH1 ARG A 59 -10.706 -6.549 -1.441 1.00 0.00 N ATOM 946 NH2 ARG A 59 -8.866 -5.315 -2.035 1.00 0.00 N ATOM 0 H ARG A 59 -4.923 -8.153 2.985 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.769 -6.973 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.170 -8.632 2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.788 -7.692 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.850 -6.812 3.264 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.738 -5.663 2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.592 -8.041 0.909 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.738 -6.736 1.140 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.105 -5.793 0.285 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.218 -7.096 -0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.100 -6.406 -2.371 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.959 -4.910 -1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.263 -5.174 -2.964 1.00 0.00 H new ATOM 960 N PHE A 60 -6.466 -4.779 2.318 1.00 0.00 N ATOM 961 CA PHE A 60 -6.039 -3.501 2.876 1.00 0.00 C ATOM 962 C PHE A 60 -6.930 -3.093 4.044 1.00 0.00 C ATOM 963 O PHE A 60 -8.157 -3.102 3.936 1.00 0.00 O ATOM 964 CB PHE A 60 -6.063 -2.416 1.797 1.00 0.00 C ATOM 965 CG PHE A 60 -4.758 -2.266 1.068 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.679 -1.642 1.674 1.00 0.00 C ATOM 967 CD2 PHE A 60 -4.611 -2.747 -0.222 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.477 -1.502 1.007 1.00 0.00 C ATOM 969 CE2 PHE A 60 -3.411 -2.611 -0.895 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.343 -1.986 -0.280 1.00 0.00 C ATOM 0 H PHE A 60 -7.073 -4.701 1.502 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.019 -3.616 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.848 -2.648 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.325 -1.463 2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.779 -1.261 2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.443 -3.234 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.643 -1.015 1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.308 -2.993 -1.900 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.405 -1.876 -0.804 1.00 0.00 H new ATOM 980 N ARG A 61 -6.305 -2.736 5.161 1.00 0.00 N ATOM 981 CA ARG A 61 -7.041 -2.326 6.351 1.00 0.00 C ATOM 982 C ARG A 61 -6.253 -1.290 7.148 1.00 0.00 C ATOM 983 O ARG A 61 -5.095 -1.513 7.500 1.00 0.00 O ATOM 984 CB ARG A 61 -7.346 -3.539 7.232 1.00 0.00 C ATOM 985 CG ARG A 61 -8.679 -4.199 6.920 1.00 0.00 C ATOM 986 CD ARG A 61 -9.847 -3.313 7.322 1.00 0.00 C ATOM 987 NE ARG A 61 -10.266 -3.552 8.701 1.00 0.00 N ATOM 988 CZ ARG A 61 -10.850 -4.674 9.107 1.00 0.00 C ATOM 989 NH1 ARG A 61 -11.082 -5.654 8.244 1.00 0.00 N ATOM 990 NH2 ARG A 61 -11.203 -4.818 10.378 1.00 0.00 N ATOM 0 H ARG A 61 -5.291 -2.722 5.267 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.979 -1.875 6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.550 -4.274 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.339 -3.229 8.277 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.737 -4.418 5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.746 -5.152 7.445 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.565 -2.267 7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.687 -3.494 6.651 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.101 -2.818 9.389 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.812 -5.547 7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.531 -6.515 8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.026 -4.067 11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.651 -5.680 10.688 1.00 0.00 H new ATOM 1004 N PHE A 62 -6.889 -0.157 7.428 1.00 0.00 N ATOM 1005 CA PHE A 62 -6.247 0.913 8.182 1.00 0.00 C ATOM 1006 C PHE A 62 -6.819 1.003 9.594 1.00 0.00 C ATOM 1007 O PHE A 62 -7.955 0.598 9.842 1.00 0.00 O ATOM 1008 CB PHE A 62 -6.427 2.251 7.462 1.00 0.00 C ATOM 1009 CG PHE A 62 -5.715 3.392 8.131 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -4.338 3.516 8.039 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -6.423 4.341 8.851 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -3.680 4.565 8.653 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -5.770 5.392 9.467 1.00 0.00 C ATOM 1014 CZ PHE A 62 -4.397 5.504 9.369 1.00 0.00 C ATOM 0 H PHE A 62 -7.848 0.044 7.144 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.183 0.685 8.253 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.063 2.156 6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.491 2.482 7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.772 2.784 7.481 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.497 4.259 8.932 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.606 4.651 8.573 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.333 6.125 10.025 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.885 6.324 9.851 1.00 0.00 H new ATOM 1024 N ASP A 63 -6.023 1.535 10.515 1.00 0.00 N ATOM 1025 CA ASP A 63 -6.449 1.678 11.903 1.00 0.00 C ATOM 1026 C ASP A 63 -7.416 2.848 12.056 1.00 0.00 C ATOM 1027 O ASP A 63 -7.163 3.780 12.818 1.00 0.00 O ATOM 1028 CB ASP A 63 -5.236 1.881 12.812 1.00 0.00 C ATOM 1029 CG ASP A 63 -4.177 0.815 12.611 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -3.562 0.786 11.524 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -3.962 0.010 13.541 1.00 0.00 O ATOM 0 H ASP A 63 -5.080 1.874 10.326 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.964 0.763 12.196 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.801 2.862 12.619 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.560 1.875 13.853 1.00 0.00 H new ATOM 1036 N GLY A 64 -8.525 2.792 11.325 1.00 0.00 N ATOM 1037 CA GLY A 64 -9.513 3.853 11.393 1.00 0.00 C ATOM 1038 C GLY A 64 -10.765 3.531 10.602 1.00 0.00 C ATOM 1039 O GLY A 64 -11.866 3.927 10.984 1.00 0.00 O ATOM 0 H GLY A 64 -8.757 2.031 10.687 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.781 4.030 12.435 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.076 4.777 11.015 1.00 0.00 H new ATOM 1043 N GLN A 65 -10.597 2.813 9.497 1.00 0.00 N ATOM 1044 CA GLN A 65 -11.723 2.440 8.649 1.00 0.00 C ATOM 1045 C GLN A 65 -11.309 1.391 7.623 1.00 0.00 C ATOM 1046 O GLN A 65 -10.127 1.205 7.332 1.00 0.00 O ATOM 1047 CB GLN A 65 -12.282 3.674 7.937 1.00 0.00 C ATOM 1048 CG GLN A 65 -13.498 4.274 8.625 1.00 0.00 C ATOM 1049 CD GLN A 65 -14.456 4.929 7.650 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -14.173 5.998 7.108 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -15.597 4.291 7.422 1.00 0.00 N ATOM 0 H GLN A 65 -9.692 2.478 9.168 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.498 2.013 9.285 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.501 4.431 7.873 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.549 3.404 6.915 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.023 3.492 9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.169 5.012 9.357 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.790 3.407 7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.281 4.684 6.775 1.00 0.00 H new ATOM 1060 N PRO A 66 -12.303 0.687 7.061 1.00 0.00 N ATOM 1061 CA PRO A 66 -12.066 -0.356 6.058 1.00 0.00 C ATOM 1062 C PRO A 66 -11.587 0.217 4.728 1.00 0.00 C ATOM 1063 O PRO A 66 -11.494 1.433 4.563 1.00 0.00 O ATOM 1064 CB PRO A 66 -13.440 -1.010 5.896 1.00 0.00 C ATOM 1065 CG PRO A 66 -14.412 0.048 6.288 1.00 0.00 C ATOM 1066 CD PRO A 66 -13.735 0.856 7.361 1.00 0.00 C ATOM 0 HA PRO A 66 -11.283 -1.049 6.367 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.604 -1.337 4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.536 -1.891 6.531 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.673 0.674 5.434 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.339 -0.391 6.657 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.033 1.904 7.323 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.983 0.490 8.357 1.00 0.00 H new ATOM 1074 N ILE A 67 -11.286 -0.667 3.783 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.819 -0.249 2.468 1.00 0.00 C ATOM 1076 C ILE A 67 -11.343 -1.177 1.377 1.00 0.00 C ATOM 1077 O ILE A 67 -11.249 -2.398 1.490 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.281 -0.214 2.401 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.715 0.585 3.577 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -8.821 0.381 1.079 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -7.204 0.566 3.649 1.00 0.00 C ATOM 0 H ILE A 67 -11.357 -1.677 3.904 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.205 0.757 2.302 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.907 -1.236 2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.054 1.618 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.120 0.185 4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.732 0.399 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.198 -0.226 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.203 1.397 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.873 1.152 4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.858 -0.462 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.791 0.994 2.736 1.00 0.00 H new ATOM 1093 N ASN A 68 -11.895 -0.588 0.321 1.00 0.00 N ATOM 1094 CA ASN A 68 -12.433 -1.362 -0.791 1.00 0.00 C ATOM 1095 C ASN A 68 -11.546 -1.231 -2.025 1.00 0.00 C ATOM 1096 O ASN A 68 -10.740 -0.306 -2.127 1.00 0.00 O ATOM 1097 CB ASN A 68 -13.854 -0.901 -1.120 1.00 0.00 C ATOM 1098 CG ASN A 68 -14.812 -1.110 0.037 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -14.952 -2.221 0.549 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -15.478 -0.040 0.454 1.00 0.00 N ATOM 0 H ASN A 68 -11.981 0.423 0.212 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.458 -2.410 -0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.837 0.155 -1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.217 -1.445 -1.992 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.137 -0.119 1.228 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.331 0.861 0.000 1.00 0.00 H new ATOM 1107 N GLU A 69 -11.700 -2.163 -2.961 1.00 0.00 N ATOM 1108 CA GLU A 69 -10.912 -2.151 -4.188 1.00 0.00 C ATOM 1109 C GLU A 69 -11.252 -0.933 -5.040 1.00 0.00 C ATOM 1110 O GLU A 69 -10.455 -0.501 -5.874 1.00 0.00 O ATOM 1111 CB GLU A 69 -11.156 -3.432 -4.989 1.00 0.00 C ATOM 1112 CG GLU A 69 -12.603 -3.618 -5.413 1.00 0.00 C ATOM 1113 CD GLU A 69 -13.407 -4.419 -4.408 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -12.918 -5.480 -3.967 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -14.526 -3.985 -4.062 1.00 0.00 O ATOM 0 H GLU A 69 -12.363 -2.935 -2.893 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.859 -2.098 -3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.524 -3.421 -5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.849 -4.289 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.067 -2.641 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.633 -4.121 -6.380 1.00 0.00 H new ATOM 1122 N THR A 70 -12.442 -0.381 -4.826 1.00 0.00 N ATOM 1123 CA THR A 70 -12.889 0.787 -5.575 1.00 0.00 C ATOM 1124 C THR A 70 -12.810 2.049 -4.724 1.00 0.00 C ATOM 1125 O THR A 70 -13.577 2.992 -4.922 1.00 0.00 O ATOM 1126 CB THR A 70 -14.334 0.611 -6.079 1.00 0.00 C ATOM 1127 OG1 THR A 70 -14.681 1.689 -6.955 1.00 0.00 O ATOM 1128 CG2 THR A 70 -15.312 0.563 -4.915 1.00 0.00 C ATOM 0 H THR A 70 -13.114 -0.724 -4.140 1.00 0.00 H new ATOM 0 HA THR A 70 -12.223 0.888 -6.432 1.00 0.00 H new ATOM 0 HB THR A 70 -14.394 -0.332 -6.622 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.488 2.543 -6.515 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.326 0.438 -5.296 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.063 -0.276 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.249 1.492 -4.349 1.00 0.00 H new ATOM 1136 N ASP A 71 -11.878 2.062 -3.778 1.00 0.00 N ATOM 1137 CA ASP A 71 -11.697 3.210 -2.897 1.00 0.00 C ATOM 1138 C ASP A 71 -10.351 3.881 -3.149 1.00 0.00 C ATOM 1139 O ASP A 71 -9.316 3.217 -3.214 1.00 0.00 O ATOM 1140 CB ASP A 71 -11.800 2.779 -1.433 1.00 0.00 C ATOM 1141 CG ASP A 71 -13.216 2.874 -0.900 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -14.152 2.991 -1.718 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -13.388 2.830 0.336 1.00 0.00 O ATOM 0 H ASP A 71 -11.235 1.290 -3.601 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.487 3.929 -3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.445 1.753 -1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.144 3.403 -0.826 1.00 0.00 H new ATOM 1148 N THR A 72 -10.372 5.203 -3.291 1.00 0.00 N ATOM 1149 CA THR A 72 -9.154 5.965 -3.538 1.00 0.00 C ATOM 1150 C THR A 72 -8.637 6.606 -2.256 1.00 0.00 C ATOM 1151 O THR A 72 -9.376 6.809 -1.293 1.00 0.00 O ATOM 1152 CB THR A 72 -9.383 7.064 -4.593 1.00 0.00 C ATOM 1153 OG1 THR A 72 -10.679 7.646 -4.420 1.00 0.00 O ATOM 1154 CG2 THR A 72 -9.258 6.499 -5.999 1.00 0.00 C ATOM 0 H THR A 72 -11.220 5.768 -3.239 1.00 0.00 H new ATOM 0 HA THR A 72 -8.411 5.261 -3.913 1.00 0.00 H new ATOM 0 HB THR A 72 -8.620 7.831 -4.458 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.816 8.345 -5.093 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.424 7.294 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.260 6.083 -6.137 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.001 5.714 -6.143 1.00 0.00 H new ATOM 1162 N PRO A 73 -7.336 6.934 -2.240 1.00 0.00 N ATOM 1163 CA PRO A 73 -6.691 7.559 -1.081 1.00 0.00 C ATOM 1164 C PRO A 73 -7.157 8.995 -0.863 1.00 0.00 C ATOM 1165 O PRO A 73 -7.107 9.510 0.253 1.00 0.00 O ATOM 1166 CB PRO A 73 -5.204 7.528 -1.443 1.00 0.00 C ATOM 1167 CG PRO A 73 -5.178 7.497 -2.932 1.00 0.00 C ATOM 1168 CD PRO A 73 -6.395 6.721 -3.352 1.00 0.00 C ATOM 0 HA PRO A 73 -6.928 7.039 -0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.684 8.404 -1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.712 6.652 -1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.198 8.506 -3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.267 7.022 -3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.799 7.087 -4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.169 5.664 -3.491 1.00 0.00 H new ATOM 1176 N ALA A 74 -7.610 9.634 -1.936 1.00 0.00 N ATOM 1177 CA ALA A 74 -8.087 11.010 -1.861 1.00 0.00 C ATOM 1178 C ALA A 74 -9.292 11.123 -0.934 1.00 0.00 C ATOM 1179 O ALA A 74 -9.349 12.007 -0.080 1.00 0.00 O ATOM 1180 CB ALA A 74 -8.436 11.524 -3.250 1.00 0.00 C ATOM 0 H ALA A 74 -7.657 9.221 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.286 11.625 -1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.791 12.552 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.550 11.489 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.218 10.900 -3.683 1.00 0.00 H new ATOM 1186 N GLN A 75 -10.254 10.223 -1.110 1.00 0.00 N ATOM 1187 CA GLN A 75 -11.460 10.223 -0.289 1.00 0.00 C ATOM 1188 C GLN A 75 -11.289 9.324 0.930 1.00 0.00 C ATOM 1189 O GLN A 75 -12.260 8.988 1.609 1.00 0.00 O ATOM 1190 CB GLN A 75 -12.663 9.762 -1.113 1.00 0.00 C ATOM 1191 CG GLN A 75 -12.898 10.594 -2.364 1.00 0.00 C ATOM 1192 CD GLN A 75 -14.130 10.156 -3.132 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -15.085 9.637 -2.554 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -14.115 10.364 -4.444 1.00 0.00 N ATOM 0 H GLN A 75 -10.222 9.485 -1.813 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.634 11.242 0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.518 8.721 -1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.556 9.799 -0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.002 11.642 -2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.025 10.522 -3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.302 10.797 -4.882 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.916 10.090 -5.013 1.00 0.00 H new ATOM 1203 N LEU A 76 -10.048 8.935 1.203 1.00 0.00 N ATOM 1204 CA LEU A 76 -9.749 8.074 2.342 1.00 0.00 C ATOM 1205 C LEU A 76 -8.850 8.789 3.345 1.00 0.00 C ATOM 1206 O LEU A 76 -8.760 8.390 4.506 1.00 0.00 O ATOM 1207 CB LEU A 76 -9.078 6.783 1.867 1.00 0.00 C ATOM 1208 CG LEU A 76 -9.984 5.556 1.759 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -10.354 5.042 3.142 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -11.235 5.886 0.958 1.00 0.00 C ATOM 0 H LEU A 76 -9.233 9.202 0.651 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.689 7.828 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.632 6.967 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.262 6.548 2.551 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.439 4.770 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.999 4.169 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.448 4.766 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.880 5.823 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.868 5.001 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.783 6.688 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.951 6.206 -0.045 1.00 0.00 H new ATOM 1222 N GLU A 77 -8.188 9.848 2.889 1.00 0.00 N ATOM 1223 CA GLU A 77 -7.297 10.619 3.748 1.00 0.00 C ATOM 1224 C GLU A 77 -6.170 9.744 4.288 1.00 0.00 C ATOM 1225 O GLU A 77 -5.766 9.877 5.443 1.00 0.00 O ATOM 1226 CB GLU A 77 -8.080 11.236 4.909 1.00 0.00 C ATOM 1227 CG GLU A 77 -9.253 12.094 4.465 1.00 0.00 C ATOM 1228 CD GLU A 77 -8.946 13.577 4.524 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -8.820 14.112 5.645 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -8.833 14.203 3.449 1.00 0.00 O ATOM 0 H GLU A 77 -8.252 10.191 1.931 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.858 11.418 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.448 10.437 5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.403 11.844 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.530 11.824 3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.115 11.880 5.097 1.00 0.00 H new ATOM 1237 N MET A 78 -5.668 8.848 3.445 1.00 0.00 N ATOM 1238 CA MET A 78 -4.587 7.951 3.837 1.00 0.00 C ATOM 1239 C MET A 78 -3.266 8.386 3.212 1.00 0.00 C ATOM 1240 O MET A 78 -2.607 7.606 2.525 1.00 0.00 O ATOM 1241 CB MET A 78 -4.912 6.515 3.423 1.00 0.00 C ATOM 1242 CG MET A 78 -5.383 6.389 1.983 1.00 0.00 C ATOM 1243 SD MET A 78 -5.663 4.677 1.490 1.00 0.00 S ATOM 1244 CE MET A 78 -4.271 4.409 0.395 1.00 0.00 C ATOM 0 H MET A 78 -5.992 8.724 2.486 1.00 0.00 H new ATOM 0 HA MET A 78 -4.487 7.995 4.922 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.026 5.896 3.562 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.683 6.121 4.085 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.306 6.955 1.856 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.641 6.837 1.322 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.923 3.381 0.494 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.578 4.591 -0.635 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.464 5.092 0.659 1.00 0.00 H new ATOM 1254 N GLU A 79 -2.885 9.637 3.455 1.00 0.00 N ATOM 1255 CA GLU A 79 -1.642 10.174 2.914 1.00 0.00 C ATOM 1256 C GLU A 79 -0.700 10.602 4.036 1.00 0.00 C ATOM 1257 O GLU A 79 -0.901 10.248 5.198 1.00 0.00 O ATOM 1258 CB GLU A 79 -1.932 11.364 1.996 1.00 0.00 C ATOM 1259 CG GLU A 79 -3.261 11.261 1.267 1.00 0.00 C ATOM 1260 CD GLU A 79 -4.381 11.983 1.991 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -4.206 12.302 3.186 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -5.431 12.229 1.363 1.00 0.00 O ATOM 0 H GLU A 79 -3.419 10.296 4.022 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.157 9.387 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.922 12.279 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.130 11.450 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.154 11.676 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.527 10.210 1.150 1.00 0.00 H new ATOM 1269 N ASP A 80 0.328 11.363 3.679 1.00 0.00 N ATOM 1270 CA ASP A 80 1.302 11.840 4.655 1.00 0.00 C ATOM 1271 C ASP A 80 2.004 10.671 5.337 1.00 0.00 C ATOM 1272 O ASP A 80 2.095 10.619 6.563 1.00 0.00 O ATOM 1273 CB ASP A 80 0.617 12.721 5.701 1.00 0.00 C ATOM 1274 CG ASP A 80 -0.475 13.586 5.105 1.00 0.00 C ATOM 1275 OD1 ASP A 80 -0.140 14.580 4.426 1.00 0.00 O ATOM 1276 OD2 ASP A 80 -1.665 13.271 5.316 1.00 0.00 O ATOM 0 H ASP A 80 0.509 11.663 2.721 1.00 0.00 H new ATOM 0 HA ASP A 80 2.050 12.431 4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.191 12.090 6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.361 13.358 6.178 1.00 0.00 H new ATOM 1281 N GLU A 81 2.499 9.734 4.534 1.00 0.00 N ATOM 1282 CA GLU A 81 3.192 8.564 5.061 1.00 0.00 C ATOM 1283 C GLU A 81 2.239 7.685 5.866 1.00 0.00 C ATOM 1284 O GLU A 81 2.611 7.134 6.903 1.00 0.00 O ATOM 1285 CB GLU A 81 4.370 8.994 5.938 1.00 0.00 C ATOM 1286 CG GLU A 81 5.231 10.078 5.312 1.00 0.00 C ATOM 1287 CD GLU A 81 6.543 10.278 6.046 1.00 0.00 C ATOM 1288 OE1 GLU A 81 6.564 11.055 7.023 1.00 0.00 O ATOM 1289 OE2 GLU A 81 7.548 9.656 5.644 1.00 0.00 O ATOM 0 H GLU A 81 2.433 9.762 3.517 1.00 0.00 H new ATOM 0 HA GLU A 81 3.568 7.985 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.988 9.352 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.992 8.124 6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.436 9.819 4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.677 11.017 5.303 1.00 0.00 H new ATOM 1296 N ASP A 82 1.009 7.558 5.381 1.00 0.00 N ATOM 1297 CA ASP A 82 0.002 6.745 6.054 1.00 0.00 C ATOM 1298 C ASP A 82 0.403 5.273 6.054 1.00 0.00 C ATOM 1299 O ASP A 82 0.653 4.686 5.000 1.00 0.00 O ATOM 1300 CB ASP A 82 -1.358 6.916 5.376 1.00 0.00 C ATOM 1301 CG ASP A 82 -2.511 6.816 6.356 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -2.405 7.395 7.458 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -3.518 6.160 6.021 1.00 0.00 O ATOM 0 H ASP A 82 0.685 8.007 4.525 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.071 7.083 7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.392 7.884 4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.474 6.155 4.604 1.00 0.00 H new ATOM 1308 N THR A 83 0.463 4.682 7.243 1.00 0.00 N ATOM 1309 CA THR A 83 0.836 3.279 7.381 1.00 0.00 C ATOM 1310 C THR A 83 -0.398 2.386 7.446 1.00 0.00 C ATOM 1311 O THR A 83 -1.035 2.268 8.494 1.00 0.00 O ATOM 1312 CB THR A 83 1.692 3.047 8.640 1.00 0.00 C ATOM 1313 OG1 THR A 83 2.707 4.052 8.735 1.00 0.00 O ATOM 1314 CG2 THR A 83 2.336 1.669 8.609 1.00 0.00 C ATOM 0 H THR A 83 0.258 5.153 8.124 1.00 0.00 H new ATOM 0 HA THR A 83 1.422 3.019 6.500 1.00 0.00 H new ATOM 0 HB THR A 83 1.041 3.107 9.512 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.246 3.898 9.539 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.936 1.527 9.508 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.559 0.905 8.567 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.975 1.586 7.730 1.00 0.00 H new ATOM 1322 N ILE A 84 -0.729 1.759 6.323 1.00 0.00 N ATOM 1323 CA ILE A 84 -1.886 0.876 6.255 1.00 0.00 C ATOM 1324 C ILE A 84 -1.505 -0.557 6.612 1.00 0.00 C ATOM 1325 O ILE A 84 -0.634 -1.155 5.980 1.00 0.00 O ATOM 1326 CB ILE A 84 -2.525 0.891 4.853 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -2.704 2.330 4.366 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -3.860 0.162 4.872 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -3.312 2.430 2.985 1.00 0.00 C ATOM 0 H ILE A 84 -0.212 1.846 5.448 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.610 1.249 6.979 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.861 0.373 4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.337 2.868 5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.734 2.827 4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.299 0.181 3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.706 -0.872 5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.533 0.654 5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.409 3.479 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.669 1.921 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.296 1.962 2.986 1.00 0.00 H new ATOM 1341 N ASP A 85 -2.165 -1.103 7.628 1.00 0.00 N ATOM 1342 CA ASP A 85 -1.898 -2.467 8.068 1.00 0.00 C ATOM 1343 C ASP A 85 -2.417 -3.478 7.050 1.00 0.00 C ATOM 1344 O ASP A 85 -3.502 -3.312 6.493 1.00 0.00 O ATOM 1345 CB ASP A 85 -2.542 -2.721 9.432 1.00 0.00 C ATOM 1346 CG ASP A 85 -1.627 -2.348 10.582 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -1.097 -1.218 10.575 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -1.442 -3.187 11.489 1.00 0.00 O ATOM 0 H ASP A 85 -2.889 -0.622 8.162 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.818 -2.589 8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.466 -2.148 9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.812 -3.774 9.513 1.00 0.00 H new ATOM 1353 N VAL A 86 -1.634 -4.526 6.811 1.00 0.00 N ATOM 1354 CA VAL A 86 -2.015 -5.563 5.861 1.00 0.00 C ATOM 1355 C VAL A 86 -2.240 -6.897 6.564 1.00 0.00 C ATOM 1356 O VAL A 86 -1.676 -7.153 7.628 1.00 0.00 O ATOM 1357 CB VAL A 86 -0.944 -5.745 4.769 1.00 0.00 C ATOM 1358 CG1 VAL A 86 0.149 -6.690 5.246 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -1.575 -6.253 3.482 1.00 0.00 C ATOM 0 H VAL A 86 -0.732 -4.678 7.263 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.946 -5.239 5.396 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.490 -4.775 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.897 -6.807 4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.621 -6.280 6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.286 -7.662 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.803 -6.376 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.057 -7.213 3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.317 -5.535 3.133 1.00 0.00 H new ATOM 1369 N PHE A 87 -3.068 -7.745 5.962 1.00 0.00 N ATOM 1370 CA PHE A 87 -3.368 -9.054 6.531 1.00 0.00 C ATOM 1371 C PHE A 87 -2.895 -10.171 5.605 1.00 0.00 C ATOM 1372 O PHE A 87 -3.550 -10.485 4.611 1.00 0.00 O ATOM 1373 CB PHE A 87 -4.871 -9.189 6.787 1.00 0.00 C ATOM 1374 CG PHE A 87 -5.205 -10.122 7.916 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -4.642 -9.943 9.169 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -6.082 -11.178 7.724 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -4.947 -10.801 10.209 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -6.391 -12.038 8.760 1.00 0.00 C ATOM 1379 CZ PHE A 87 -5.824 -11.849 10.005 1.00 0.00 C ATOM 0 H PHE A 87 -3.543 -7.549 5.081 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.836 -9.142 7.478 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.284 -8.204 7.006 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.356 -9.544 5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.957 -9.124 9.335 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.529 -11.330 6.753 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.500 -10.652 11.181 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.075 -12.857 8.596 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.066 -12.519 10.817 1.00 0.00 H new ATOM 1389 N GLN A 88 -1.755 -10.765 5.939 1.00 0.00 N ATOM 1390 CA GLN A 88 -1.194 -11.846 5.137 1.00 0.00 C ATOM 1391 C GLN A 88 -0.893 -13.066 6.002 1.00 0.00 C ATOM 1392 O GLN A 88 -0.620 -12.940 7.195 1.00 0.00 O ATOM 1393 CB GLN A 88 0.081 -11.378 4.434 1.00 0.00 C ATOM 1394 CG GLN A 88 1.046 -10.642 5.349 1.00 0.00 C ATOM 1395 CD GLN A 88 2.486 -10.751 4.888 1.00 0.00 C ATOM 1396 OE1 GLN A 88 3.168 -9.743 4.702 1.00 0.00 O ATOM 1397 NE2 GLN A 88 2.957 -11.978 4.701 1.00 0.00 N ATOM 0 H GLN A 88 -1.201 -10.517 6.759 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.932 -12.129 4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.588 -12.243 4.006 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.190 -10.724 3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.763 -9.591 5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.961 -11.043 6.359 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.357 -12.786 4.867 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.919 -12.113 4.391 1.00 0.00 H new ATOM 1406 N GLN A 89 -0.946 -14.245 5.392 1.00 0.00 N ATOM 1407 CA GLN A 89 -0.681 -15.488 6.107 1.00 0.00 C ATOM 1408 C GLN A 89 0.757 -15.946 5.887 1.00 0.00 C ATOM 1409 O GLN A 89 1.433 -15.480 4.970 1.00 0.00 O ATOM 1410 CB GLN A 89 -1.651 -16.580 5.653 1.00 0.00 C ATOM 1411 CG GLN A 89 -1.965 -17.602 6.734 1.00 0.00 C ATOM 1412 CD GLN A 89 -1.057 -18.815 6.670 1.00 0.00 C ATOM 1413 OE1 GLN A 89 -0.740 -19.311 5.589 1.00 0.00 O ATOM 1414 NE2 GLN A 89 -0.634 -19.299 7.832 1.00 0.00 N ATOM 0 H GLN A 89 -1.170 -14.366 4.404 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.826 -15.303 7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.580 -16.115 5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.228 -17.094 4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.869 -17.132 7.713 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.002 -17.923 6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.922 -18.856 8.704 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.021 -20.114 7.852 1.00 0.00 H new ATOM 1423 N GLN A 90 1.218 -16.861 6.734 1.00 0.00 N ATOM 1424 CA GLN A 90 2.576 -17.380 6.632 1.00 0.00 C ATOM 1425 C GLN A 90 2.576 -18.800 6.075 1.00 0.00 C ATOM 1426 O GLN A 90 2.637 -19.774 6.826 1.00 0.00 O ATOM 1427 CB GLN A 90 3.258 -17.358 8.001 1.00 0.00 C ATOM 1428 CG GLN A 90 2.405 -17.943 9.115 1.00 0.00 C ATOM 1429 CD GLN A 90 1.534 -16.903 9.791 1.00 0.00 C ATOM 1430 OE1 GLN A 90 1.537 -15.732 9.410 1.00 0.00 O ATOM 1431 NE2 GLN A 90 0.782 -17.325 10.801 1.00 0.00 N ATOM 0 H GLN A 90 0.671 -17.258 7.498 1.00 0.00 H new ATOM 0 HA GLN A 90 3.131 -16.740 5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.193 -17.914 7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.515 -16.329 8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.772 -18.731 8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.053 -18.407 9.858 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.811 -18.305 11.084 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.176 -16.669 11.294 1.00 0.00 H new ATOM 1440 N THR A 91 2.506 -18.911 4.752 1.00 0.00 N ATOM 1441 CA THR A 91 2.495 -20.212 4.094 1.00 0.00 C ATOM 1442 C THR A 91 3.834 -20.499 3.423 1.00 0.00 C ATOM 1443 O THR A 91 4.240 -21.653 3.295 1.00 0.00 O ATOM 1444 CB THR A 91 1.376 -20.299 3.039 1.00 0.00 C ATOM 1445 OG1 THR A 91 1.248 -21.646 2.571 1.00 0.00 O ATOM 1446 CG2 THR A 91 1.665 -19.374 1.866 1.00 0.00 C ATOM 0 H THR A 91 2.456 -18.116 4.115 1.00 0.00 H new ATOM 0 HA THR A 91 2.312 -20.957 4.869 1.00 0.00 H new ATOM 0 HB THR A 91 0.442 -19.987 3.506 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.534 -21.693 1.902 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.861 -19.453 1.134 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.733 -18.346 2.222 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.608 -19.660 1.401 1.00 0.00 H new ATOM 1454 N GLY A 92 4.516 -19.441 2.995 1.00 0.00 N ATOM 1455 CA GLY A 92 5.802 -19.601 2.343 1.00 0.00 C ATOM 1456 C GLY A 92 6.839 -18.622 2.856 1.00 0.00 C ATOM 1457 O GLY A 92 7.994 -18.986 3.072 1.00 0.00 O ATOM 0 H GLY A 92 4.200 -18.476 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.160 -20.619 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.680 -19.466 1.268 1.00 0.00 H new ATOM 1461 N GLY A 93 6.426 -17.373 3.052 1.00 0.00 N ATOM 1462 CA GLY A 93 7.340 -16.357 3.540 1.00 0.00 C ATOM 1463 C GLY A 93 7.589 -16.469 5.030 1.00 0.00 C ATOM 1464 O GLY A 93 7.580 -17.567 5.588 1.00 0.00 O ATOM 0 H GLY A 93 5.475 -17.047 2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.288 -16.441 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.935 -15.370 3.316 1.00 0.00 H new ATOM 1468 N VAL A 94 7.815 -15.331 5.679 1.00 0.00 N ATOM 1469 CA VAL A 94 8.069 -15.306 7.114 1.00 0.00 C ATOM 1470 C VAL A 94 6.826 -14.875 7.884 1.00 0.00 C ATOM 1471 O VAL A 94 6.224 -15.669 8.608 1.00 0.00 O ATOM 1472 CB VAL A 94 9.230 -14.356 7.462 1.00 0.00 C ATOM 1473 CG1 VAL A 94 9.599 -14.480 8.933 1.00 0.00 C ATOM 1474 CG2 VAL A 94 10.433 -14.639 6.576 1.00 0.00 C ATOM 0 H VAL A 94 7.827 -14.414 5.233 1.00 0.00 H new ATOM 0 HA VAL A 94 8.340 -16.321 7.405 1.00 0.00 H new ATOM 0 HB VAL A 94 8.906 -13.332 7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.421 -13.801 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.736 -14.223 9.547 1.00 0.00 H new ATOM 0 HG13 VAL A 94 9.905 -15.504 9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.244 -13.959 6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.761 -15.668 6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.158 -14.494 5.531 1.00 0.00 H new ATOM 1484 N TYR A 95 6.445 -13.612 7.724 1.00 0.00 N ATOM 1485 CA TYR A 95 5.274 -13.074 8.406 1.00 0.00 C ATOM 1486 C TYR A 95 4.348 -12.367 7.422 1.00 0.00 C ATOM 1487 O TYR A 95 4.677 -11.303 6.900 1.00 0.00 O ATOM 1488 CB TYR A 95 5.701 -12.105 9.510 1.00 0.00 C ATOM 1489 CG TYR A 95 6.670 -12.706 10.502 1.00 0.00 C ATOM 1490 CD1 TYR A 95 6.339 -13.848 11.222 1.00 0.00 C ATOM 1491 CD2 TYR A 95 7.916 -12.132 10.722 1.00 0.00 C ATOM 1492 CE1 TYR A 95 7.221 -14.401 12.130 1.00 0.00 C ATOM 1493 CE2 TYR A 95 8.804 -12.678 11.628 1.00 0.00 C ATOM 1494 CZ TYR A 95 8.452 -13.812 12.329 1.00 0.00 C ATOM 1495 OH TYR A 95 9.334 -14.359 13.233 1.00 0.00 O ATOM 0 H TYR A 95 6.930 -12.942 7.128 1.00 0.00 H new ATOM 0 HA TYR A 95 4.731 -13.906 8.853 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.159 -11.227 9.054 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.815 -11.762 10.043 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.375 -14.311 11.069 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.195 -11.243 10.175 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.948 -15.289 12.681 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.769 -12.219 11.787 1.00 0.00 H new ATOM 0 HH TYR A 95 10.155 -13.825 13.253 1.00 0.00 H new TER 1505 TYR A 95