USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 73 MET CE :methyl -121:sc= -0.0757 (180deg=-0.181) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 153:sc= 0.131 (180deg=0) USER MOD Set 2.2: A 38 HIS : no HD1:sc= -0.889 X(o=-0.76,f=-0.56) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 25 ASN : amide:sc= 0.374 X(o=0.37,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.595 K(o=0.59,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0.918 (180deg=0.905) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 46 MET CE :methyl -129:sc= 0 (180deg=-0.127) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -115:sc= -0.117 (180deg=-0.656) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.127 X(o=0.13,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 178:sc= -1.42 (180deg=-1.47) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 69 GLN : amide:sc= 0.543 K(o=0.54,f=-0.00064) USER MOD Single : A 71 GLN : amide:sc= 0.923 K(o=0.92,f=-0.3) USER MOD Single : A 72 HIS : no HD1:sc= 0.0268 K(o=0.027,f=-1.3!) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.509 USER MOD Single : A 88 GLN : amide:sc= 0.221 X(o=0.22,f=-0.18) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.492 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 92:sc= 1.26 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -117:sc= 0 (180deg=-0.965) USER MOD Single : A 104 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.757) USER MOD Single : A 105 ASN : amide:sc= 1.24 K(o=1.2,f=-2) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 1.847 13.184 7.475 1.00 0.00 N ATOM 2 CA GLN A 23 3.151 13.821 7.681 1.00 0.00 C ATOM 3 C GLN A 23 4.318 12.814 7.614 1.00 0.00 C ATOM 4 O GLN A 23 4.124 11.595 7.543 1.00 0.00 O ATOM 5 CB GLN A 23 3.155 14.588 9.022 1.00 0.00 C ATOM 6 CG GLN A 23 2.172 15.774 9.075 1.00 0.00 C ATOM 7 CD GLN A 23 2.538 16.947 8.158 1.00 0.00 C ATOM 8 OE1 GLN A 23 3.604 17.021 7.555 1.00 0.00 O ATOM 9 NE2 GLN A 23 1.671 17.930 8.027 1.00 0.00 N ATOM 0 HA GLN A 23 3.307 14.526 6.865 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.912 13.893 9.826 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.163 14.957 9.214 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.178 15.417 8.807 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.115 16.136 10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.778 17.891 8.518 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.893 18.730 7.434 1.00 0.00 H new ATOM 18 N ILE A 24 5.547 13.337 7.645 1.00 0.00 N ATOM 19 CA ILE A 24 6.802 12.568 7.610 1.00 0.00 C ATOM 20 C ILE A 24 6.860 11.592 8.802 1.00 0.00 C ATOM 21 O ILE A 24 6.665 11.991 9.953 1.00 0.00 O ATOM 22 CB ILE A 24 8.011 13.535 7.625 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.973 14.552 6.457 1.00 0.00 C ATOM 24 CG2 ILE A 24 9.346 12.764 7.573 1.00 0.00 C ATOM 25 CD1 ILE A 24 8.639 15.881 6.834 1.00 0.00 C ATOM 0 H ILE A 24 5.705 14.343 7.697 1.00 0.00 H new ATOM 0 HA ILE A 24 6.841 11.983 6.691 1.00 0.00 H new ATOM 0 HB ILE A 24 7.940 14.086 8.563 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.477 14.127 5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.938 14.734 6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.175 13.471 7.585 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.419 12.104 8.438 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.388 12.171 6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.591 16.565 5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.119 16.320 7.685 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.682 15.704 7.098 1.00 0.00 H new ATOM 37 N ASN A 25 7.145 10.315 8.520 1.00 0.00 N ATOM 38 CA ASN A 25 7.298 9.248 9.520 1.00 0.00 C ATOM 39 C ASN A 25 8.745 8.736 9.563 1.00 0.00 C ATOM 40 O ASN A 25 9.515 9.097 10.454 1.00 0.00 O ATOM 41 CB ASN A 25 6.236 8.152 9.286 1.00 0.00 C ATOM 42 CG ASN A 25 4.917 8.457 9.984 1.00 0.00 C ATOM 43 OD1 ASN A 25 4.594 7.881 11.015 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.111 9.363 9.476 1.00 0.00 N ATOM 0 H ASN A 25 7.279 9.985 7.564 1.00 0.00 H new ATOM 0 HA ASN A 25 7.111 9.643 10.519 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.060 8.044 8.216 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.620 7.197 9.644 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.229 9.579 9.940 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.368 9.850 8.618 1.00 0.00 H new ATOM 51 N GLN A 26 9.118 7.933 8.567 1.00 0.00 N ATOM 52 CA GLN A 26 10.476 7.424 8.352 1.00 0.00 C ATOM 53 C GLN A 26 10.800 7.285 6.855 1.00 0.00 C ATOM 54 O GLN A 26 9.999 6.749 6.088 1.00 0.00 O ATOM 55 CB GLN A 26 10.576 6.061 9.061 1.00 0.00 C ATOM 56 CG GLN A 26 9.517 5.016 8.633 1.00 0.00 C ATOM 57 CD GLN A 26 10.131 3.815 7.916 1.00 0.00 C ATOM 58 OE1 GLN A 26 10.408 2.774 8.501 1.00 0.00 O ATOM 59 NE2 GLN A 26 10.380 3.916 6.627 1.00 0.00 N ATOM 0 H GLN A 26 8.459 7.606 7.860 1.00 0.00 H new ATOM 0 HA GLN A 26 11.203 8.126 8.761 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.567 5.646 8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.491 6.221 10.136 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.976 4.671 9.514 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.787 5.491 7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.154 4.777 6.130 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.799 3.133 6.126 1.00 0.00 H new ATOM 68 N VAL A 27 11.984 7.738 6.435 1.00 0.00 N ATOM 69 CA VAL A 27 12.480 7.652 5.042 1.00 0.00 C ATOM 70 C VAL A 27 13.994 7.893 4.943 1.00 0.00 C ATOM 71 O VAL A 27 14.585 8.503 5.837 1.00 0.00 O ATOM 72 CB VAL A 27 11.703 8.654 4.162 1.00 0.00 C ATOM 73 CG1 VAL A 27 11.990 10.096 4.579 1.00 0.00 C ATOM 74 CG2 VAL A 27 11.945 8.454 2.659 1.00 0.00 C ATOM 0 H VAL A 27 12.648 8.188 7.064 1.00 0.00 H new ATOM 0 HA VAL A 27 12.307 6.637 4.683 1.00 0.00 H new ATOM 0 HB VAL A 27 10.646 8.450 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.428 10.778 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.691 10.241 5.617 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.056 10.299 4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.370 9.190 2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.006 8.579 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.631 7.451 2.370 1.00 0.00 H new ATOM 84 N ARG A 28 14.610 7.516 3.813 1.00 0.00 N ATOM 85 CA ARG A 28 15.985 7.866 3.436 1.00 0.00 C ATOM 86 C ARG A 28 16.053 8.031 1.903 1.00 0.00 C ATOM 87 O ARG A 28 15.700 7.082 1.199 1.00 0.00 O ATOM 88 CB ARG A 28 16.948 6.729 3.870 1.00 0.00 C ATOM 89 CG ARG A 28 17.148 6.485 5.379 1.00 0.00 C ATOM 90 CD ARG A 28 18.136 7.439 6.066 1.00 0.00 C ATOM 91 NE ARG A 28 17.725 8.853 5.960 1.00 0.00 N ATOM 92 CZ ARG A 28 18.423 9.843 5.430 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.633 9.718 4.974 1.00 0.00 N ATOM 94 NH2 ARG A 28 17.923 11.028 5.287 1.00 0.00 N ATOM 0 H ARG A 28 14.146 6.938 3.112 1.00 0.00 H new ATOM 0 HA ARG A 28 16.277 8.794 3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.589 5.800 3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.925 6.934 3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.181 6.567 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.494 5.462 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.225 7.168 7.118 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.123 7.317 5.620 1.00 0.00 H new ATOM 0 HE ARG A 28 16.807 9.091 6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.102 8.813 5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.114 10.525 4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.967 11.218 5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.485 11.772 4.875 1.00 0.00 H new ATOM 108 N PRO A 29 16.448 9.202 1.369 1.00 0.00 N ATOM 109 CA PRO A 29 16.594 9.436 -0.069 1.00 0.00 C ATOM 110 C PRO A 29 18.053 9.220 -0.540 1.00 0.00 C ATOM 111 O PRO A 29 18.902 8.751 0.222 1.00 0.00 O ATOM 112 CB PRO A 29 16.099 10.877 -0.234 1.00 0.00 C ATOM 113 CG PRO A 29 16.696 11.553 0.997 1.00 0.00 C ATOM 114 CD PRO A 29 16.586 10.472 2.073 1.00 0.00 C ATOM 0 HA PRO A 29 16.029 8.739 -0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.454 11.328 -1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.011 10.937 -0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.731 11.852 0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.144 12.452 1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.470 10.468 2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.727 10.653 2.719 1.00 0.00 H new ATOM 122 N LYS A 30 18.352 9.600 -1.793 1.00 0.00 N ATOM 123 CA LYS A 30 19.715 9.645 -2.370 1.00 0.00 C ATOM 124 C LYS A 30 19.973 10.996 -3.048 1.00 0.00 C ATOM 125 O LYS A 30 19.031 11.640 -3.503 1.00 0.00 O ATOM 126 CB LYS A 30 19.893 8.418 -3.277 1.00 0.00 C ATOM 127 CG LYS A 30 21.326 8.218 -3.796 1.00 0.00 C ATOM 128 CD LYS A 30 21.550 6.882 -4.514 1.00 0.00 C ATOM 129 CE LYS A 30 21.517 5.723 -3.509 1.00 0.00 C ATOM 130 NZ LYS A 30 21.697 4.406 -4.181 1.00 0.00 N ATOM 0 H LYS A 30 17.634 9.894 -2.456 1.00 0.00 H new ATOM 0 HA LYS A 30 20.481 9.583 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.591 7.527 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.220 8.510 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.570 9.031 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.018 8.288 -2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.781 6.736 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.509 6.896 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.302 5.863 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.567 5.732 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.737 3.653 -3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.897 4.231 -4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.583 4.413 -4.726 1.00 0.00 H new ATOM 144 N LEU A 31 21.234 11.422 -3.122 1.00 0.00 N ATOM 145 CA LEU A 31 21.642 12.790 -3.511 1.00 0.00 C ATOM 146 C LEU A 31 21.029 13.358 -4.817 1.00 0.00 C ATOM 147 O LEU A 31 20.375 14.400 -4.734 1.00 0.00 O ATOM 148 CB LEU A 31 23.183 12.888 -3.448 1.00 0.00 C ATOM 149 CG LEU A 31 23.764 14.290 -3.731 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.319 15.324 -2.693 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.290 14.227 -3.713 1.00 0.00 C ATOM 0 H LEU A 31 22.027 10.817 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 31 21.198 13.464 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.511 12.569 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.606 12.185 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 31 23.392 14.597 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.754 16.294 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.232 15.402 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.654 15.014 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.697 15.218 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.629 13.886 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.635 13.532 -4.479 1.00 0.00 H new ATOM 163 N PRO A 32 21.149 12.713 -5.996 1.00 0.00 N ATOM 164 CA PRO A 32 20.572 13.214 -7.254 1.00 0.00 C ATOM 165 C PRO A 32 19.030 13.243 -7.307 1.00 0.00 C ATOM 166 O PRO A 32 18.473 13.755 -8.275 1.00 0.00 O ATOM 167 CB PRO A 32 21.167 12.329 -8.358 1.00 0.00 C ATOM 168 CG PRO A 32 21.518 11.033 -7.637 1.00 0.00 C ATOM 169 CD PRO A 32 21.972 11.544 -6.276 1.00 0.00 C ATOM 0 HA PRO A 32 20.829 14.267 -7.372 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.452 12.158 -9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.048 12.788 -8.807 1.00 0.00 H new ATOM 0 HG2 PRO A 32 20.661 10.365 -7.557 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.306 10.481 -8.150 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.842 10.781 -5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.030 11.805 -6.289 1.00 0.00 H new ATOM 177 N LEU A 33 18.332 12.740 -6.281 1.00 0.00 N ATOM 178 CA LEU A 33 16.873 12.852 -6.124 1.00 0.00 C ATOM 179 C LEU A 33 16.523 13.845 -5.003 1.00 0.00 C ATOM 180 O LEU A 33 15.745 14.762 -5.232 1.00 0.00 O ATOM 181 CB LEU A 33 16.326 11.415 -5.972 1.00 0.00 C ATOM 182 CG LEU A 33 14.824 11.186 -5.715 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.512 11.193 -4.220 1.00 0.00 C ATOM 184 CD2 LEU A 33 13.906 12.178 -6.427 1.00 0.00 C ATOM 0 H LEU A 33 18.776 12.231 -5.517 1.00 0.00 H new ATOM 0 HA LEU A 33 16.379 13.287 -6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.586 10.871 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.870 10.946 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 33 14.616 10.203 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.445 11.029 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.074 10.399 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.794 12.156 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.867 11.945 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.136 13.190 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.059 12.107 -7.504 1.00 0.00 H new ATOM 196 N LEU A 34 17.186 13.772 -3.845 1.00 0.00 N ATOM 197 CA LEU A 34 17.135 14.771 -2.757 1.00 0.00 C ATOM 198 C LEU A 34 17.298 16.203 -3.289 1.00 0.00 C ATOM 199 O LEU A 34 16.540 17.086 -2.901 1.00 0.00 O ATOM 200 CB LEU A 34 18.282 14.411 -1.811 1.00 0.00 C ATOM 201 CG LEU A 34 18.559 15.322 -0.599 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.740 14.624 0.098 1.00 0.00 C ATOM 203 CD2 LEU A 34 19.105 16.716 -0.915 1.00 0.00 C ATOM 0 H LEU A 34 17.799 12.987 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 34 16.169 14.748 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.094 13.406 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.196 14.363 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 34 17.620 15.455 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 34 20.026 15.191 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.446 13.616 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.586 14.570 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 34 19.261 17.265 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.053 16.624 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.391 17.254 -1.539 1.00 0.00 H new ATOM 215 N LYS A 35 18.244 16.444 -4.206 1.00 0.00 N ATOM 216 CA LYS A 35 18.452 17.773 -4.815 1.00 0.00 C ATOM 217 C LYS A 35 17.249 18.247 -5.637 1.00 0.00 C ATOM 218 O LYS A 35 16.937 19.433 -5.586 1.00 0.00 O ATOM 219 CB LYS A 35 19.759 17.784 -5.625 1.00 0.00 C ATOM 220 CG LYS A 35 21.036 17.825 -4.762 1.00 0.00 C ATOM 221 CD LYS A 35 21.304 19.170 -4.049 1.00 0.00 C ATOM 222 CE LYS A 35 20.746 19.245 -2.615 1.00 0.00 C ATOM 223 NZ LYS A 35 20.970 20.582 -1.994 1.00 0.00 N ATOM 0 H LYS A 35 18.886 15.730 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 35 18.546 18.498 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.789 16.896 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.755 18.648 -6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.972 17.039 -4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.891 17.591 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.380 19.344 -4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.867 19.975 -4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.678 19.028 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.219 18.478 -2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.236 20.760 -1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.906 20.602 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.924 21.318 -2.728 1.00 0.00 H new ATOM 237 N ILE A 36 16.510 17.343 -6.289 1.00 0.00 N ATOM 238 CA ILE A 36 15.212 17.668 -6.912 1.00 0.00 C ATOM 239 C ILE A 36 14.213 18.063 -5.823 1.00 0.00 C ATOM 240 O ILE A 36 13.482 19.037 -5.971 1.00 0.00 O ATOM 241 CB ILE A 36 14.633 16.502 -7.738 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.677 15.838 -8.649 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.436 16.993 -8.572 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.472 16.772 -9.562 1.00 0.00 C ATOM 0 H ILE A 36 16.789 16.368 -6.402 1.00 0.00 H new ATOM 0 HA ILE A 36 15.384 18.495 -7.601 1.00 0.00 H new ATOM 0 HB ILE A 36 14.305 15.741 -7.030 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.381 15.292 -8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.169 15.102 -9.272 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.033 16.164 -9.153 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.664 17.380 -7.907 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.763 17.784 -9.247 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.176 16.188 -10.155 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.788 17.300 -10.226 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.020 17.494 -8.956 1.00 0.00 H new ATOM 256 N LEU A 37 14.224 17.336 -4.701 1.00 0.00 N ATOM 257 CA LEU A 37 13.304 17.540 -3.584 1.00 0.00 C ATOM 258 C LEU A 37 13.488 18.903 -2.908 1.00 0.00 C ATOM 259 O LEU A 37 12.525 19.659 -2.772 1.00 0.00 O ATOM 260 CB LEU A 37 13.286 16.310 -2.659 1.00 0.00 C ATOM 261 CG LEU A 37 12.856 15.024 -3.401 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.890 13.823 -2.473 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.440 15.086 -3.962 1.00 0.00 C ATOM 0 H LEU A 37 14.886 16.576 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 37 12.286 17.608 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.278 16.165 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.604 16.493 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 37 13.568 14.932 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.583 12.932 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.902 13.685 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.209 13.989 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.208 14.149 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.733 15.243 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.365 15.910 -4.671 1.00 0.00 H new ATOM 275 N HIS A 38 14.728 19.290 -2.605 1.00 0.00 N ATOM 276 CA HIS A 38 15.052 20.650 -2.149 1.00 0.00 C ATOM 277 C HIS A 38 14.689 21.703 -3.218 1.00 0.00 C ATOM 278 O HIS A 38 13.997 22.672 -2.912 1.00 0.00 O ATOM 279 CB HIS A 38 16.554 20.753 -1.840 1.00 0.00 C ATOM 280 CG HIS A 38 17.030 20.043 -0.595 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.308 20.190 -0.046 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.318 19.167 0.174 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.333 19.406 1.045 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.157 18.770 1.192 1.00 0.00 N ATOM 0 H HIS A 38 15.538 18.673 -2.667 1.00 0.00 H new ATOM 0 HA HIS A 38 14.467 20.847 -1.251 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.107 20.358 -2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.814 21.808 -1.753 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.298 18.848 0.015 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.178 19.301 1.710 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.926 18.107 1.931 1.00 0.00 H new ATOM 292 N ALA A 39 15.100 21.510 -4.482 1.00 0.00 N ATOM 293 CA ALA A 39 14.900 22.492 -5.559 1.00 0.00 C ATOM 294 C ALA A 39 13.417 22.724 -5.917 1.00 0.00 C ATOM 295 O ALA A 39 13.039 23.831 -6.305 1.00 0.00 O ATOM 296 CB ALA A 39 15.698 22.045 -6.790 1.00 0.00 C ATOM 0 H ALA A 39 15.582 20.664 -4.786 1.00 0.00 H new ATOM 0 HA ALA A 39 15.263 23.455 -5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.558 22.765 -7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.756 21.986 -6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.348 21.065 -7.114 1.00 0.00 H new ATOM 302 N ALA A 40 12.566 21.709 -5.732 1.00 0.00 N ATOM 303 CA ALA A 40 11.107 21.831 -5.836 1.00 0.00 C ATOM 304 C ALA A 40 10.493 22.756 -4.761 1.00 0.00 C ATOM 305 O ALA A 40 9.412 23.311 -4.977 1.00 0.00 O ATOM 306 CB ALA A 40 10.505 20.423 -5.736 1.00 0.00 C ATOM 0 H ALA A 40 12.876 20.765 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 40 10.871 22.294 -6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.419 20.485 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.890 19.804 -6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.778 19.978 -4.779 1.00 0.00 H new ATOM 312 N GLY A 41 11.172 22.936 -3.622 1.00 0.00 N ATOM 313 CA GLY A 41 10.740 23.799 -2.518 1.00 0.00 C ATOM 314 C GLY A 41 11.051 23.260 -1.114 1.00 0.00 C ATOM 315 O GLY A 41 10.814 23.975 -0.137 1.00 0.00 O ATOM 0 H GLY A 41 12.062 22.472 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.216 24.773 -2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.665 23.958 -2.600 1.00 0.00 H new ATOM 319 N ALA A 42 11.563 22.028 -0.983 1.00 0.00 N ATOM 320 CA ALA A 42 11.887 21.432 0.312 1.00 0.00 C ATOM 321 C ALA A 42 13.238 21.915 0.896 1.00 0.00 C ATOM 322 O ALA A 42 13.920 22.798 0.370 1.00 0.00 O ATOM 323 CB ALA A 42 11.791 19.902 0.198 1.00 0.00 C ATOM 0 H ALA A 42 11.763 21.419 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 42 11.153 21.776 1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.031 19.450 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.778 19.622 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.495 19.548 -0.555 1.00 0.00 H new ATOM 329 N GLN A 43 13.599 21.299 2.018 1.00 0.00 N ATOM 330 CA GLN A 43 14.769 21.542 2.872 1.00 0.00 C ATOM 331 C GLN A 43 14.843 20.413 3.921 1.00 0.00 C ATOM 332 O GLN A 43 13.831 20.082 4.546 1.00 0.00 O ATOM 333 CB GLN A 43 14.631 22.912 3.570 1.00 0.00 C ATOM 334 CG GLN A 43 15.859 23.286 4.420 1.00 0.00 C ATOM 335 CD GLN A 43 15.757 24.669 5.074 1.00 0.00 C ATOM 336 OE1 GLN A 43 14.783 25.404 4.950 1.00 0.00 O ATOM 337 NE2 GLN A 43 16.768 25.084 5.811 1.00 0.00 N ATOM 0 H GLN A 43 13.027 20.542 2.393 1.00 0.00 H new ATOM 0 HA GLN A 43 15.680 21.553 2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.471 23.682 2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.746 22.901 4.207 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.994 22.535 5.198 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.748 23.256 3.791 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.590 24.491 5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.729 25.998 6.263 1.00 0.00 H new ATOM 346 N GLY A 44 16.028 19.825 4.122 1.00 0.00 N ATOM 347 CA GLY A 44 16.217 18.612 4.934 1.00 0.00 C ATOM 348 C GLY A 44 15.773 17.343 4.191 1.00 0.00 C ATOM 349 O GLY A 44 14.670 17.261 3.662 1.00 0.00 O ATOM 0 H GLY A 44 16.896 20.181 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.268 18.521 5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.651 18.705 5.861 1.00 0.00 H new ATOM 353 N GLU A 45 16.657 16.349 4.102 1.00 0.00 N ATOM 354 CA GLU A 45 16.537 15.139 3.277 1.00 0.00 C ATOM 355 C GLU A 45 15.664 14.034 3.892 1.00 0.00 C ATOM 356 O GLU A 45 16.057 12.871 3.973 1.00 0.00 O ATOM 357 CB GLU A 45 17.946 14.674 2.887 1.00 0.00 C ATOM 358 CG GLU A 45 18.848 14.380 4.100 1.00 0.00 C ATOM 359 CD GLU A 45 20.069 13.517 3.736 1.00 0.00 C ATOM 360 OE1 GLU A 45 21.132 14.071 3.369 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.972 12.273 3.878 1.00 0.00 O ATOM 0 H GLU A 45 17.528 16.364 4.633 1.00 0.00 H new ATOM 0 HA GLU A 45 15.985 15.393 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.868 13.776 2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.416 15.440 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 45 19.189 15.321 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.264 13.871 4.867 1.00 0.00 H new ATOM 368 N MET A 46 14.470 14.396 4.354 1.00 0.00 N ATOM 369 CA MET A 46 13.504 13.465 4.941 1.00 0.00 C ATOM 370 C MET A 46 12.070 13.848 4.519 1.00 0.00 C ATOM 371 O MET A 46 11.458 14.762 5.071 1.00 0.00 O ATOM 372 CB MET A 46 13.649 13.481 6.472 1.00 0.00 C ATOM 373 CG MET A 46 14.848 12.648 6.943 1.00 0.00 C ATOM 374 SD MET A 46 14.801 12.173 8.693 1.00 0.00 S ATOM 375 CE MET A 46 13.521 10.886 8.620 1.00 0.00 C ATOM 0 H MET A 46 14.139 15.360 4.332 1.00 0.00 H new ATOM 0 HA MET A 46 13.702 12.456 4.579 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.765 14.509 6.815 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.737 13.094 6.927 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.906 11.744 6.337 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.761 13.214 6.759 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.762 11.084 9.377 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.059 10.888 7.633 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.973 9.912 8.807 1.00 0.00 H new ATOM 385 N PHE A 47 11.541 13.124 3.531 1.00 0.00 N ATOM 386 CA PHE A 47 10.198 13.271 2.938 1.00 0.00 C ATOM 387 C PHE A 47 9.696 11.891 2.476 1.00 0.00 C ATOM 388 O PHE A 47 10.413 11.204 1.756 1.00 0.00 O ATOM 389 CB PHE A 47 10.221 14.282 1.763 1.00 0.00 C ATOM 390 CG PHE A 47 11.585 14.806 1.336 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.578 13.914 0.888 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.877 16.180 1.424 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.856 14.388 0.551 1.00 0.00 C ATOM 394 CE2 PHE A 47 13.148 16.655 1.057 1.00 0.00 C ATOM 395 CZ PHE A 47 14.136 15.764 0.610 1.00 0.00 C ATOM 0 H PHE A 47 12.068 12.369 3.091 1.00 0.00 H new ATOM 0 HA PHE A 47 9.513 13.664 3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.753 13.810 0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.600 15.135 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.356 12.861 0.803 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.124 16.870 1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.625 13.694 0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.365 17.711 1.119 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.106 16.134 0.313 1.00 0.00 H new ATOM 405 N THR A 48 8.509 11.452 2.910 1.00 0.00 N ATOM 406 CA THR A 48 7.925 10.115 2.612 1.00 0.00 C ATOM 407 C THR A 48 7.379 10.041 1.177 1.00 0.00 C ATOM 408 O THR A 48 7.329 11.060 0.501 1.00 0.00 O ATOM 409 CB THR A 48 6.845 9.757 3.660 1.00 0.00 C ATOM 410 OG1 THR A 48 6.183 10.925 4.098 1.00 0.00 O ATOM 411 CG2 THR A 48 7.464 9.097 4.898 1.00 0.00 C ATOM 0 H THR A 48 7.901 12.025 3.496 1.00 0.00 H new ATOM 0 HA THR A 48 8.720 9.372 2.679 1.00 0.00 H new ATOM 0 HB THR A 48 6.151 9.069 3.178 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.501 10.686 4.760 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.678 8.858 5.614 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.977 8.181 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.177 9.782 5.357 1.00 0.00 H new ATOM 419 N VAL A 49 6.953 8.874 0.657 1.00 0.00 N ATOM 420 CA VAL A 49 6.615 8.726 -0.790 1.00 0.00 C ATOM 421 C VAL A 49 5.523 9.690 -1.265 1.00 0.00 C ATOM 422 O VAL A 49 5.616 10.243 -2.358 1.00 0.00 O ATOM 423 CB VAL A 49 6.275 7.266 -1.153 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.016 6.715 -0.473 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.159 7.045 -2.665 1.00 0.00 C ATOM 0 H VAL A 49 6.832 8.021 1.204 1.00 0.00 H new ATOM 0 HA VAL A 49 7.519 9.005 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 49 7.127 6.708 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.855 5.684 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.142 6.750 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.155 7.319 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.919 6.000 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.370 7.681 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.106 7.296 -3.143 1.00 0.00 H new ATOM 435 N LYS A 50 4.547 9.971 -0.394 1.00 0.00 N ATOM 436 CA LYS A 50 3.493 10.970 -0.626 1.00 0.00 C ATOM 437 C LYS A 50 4.069 12.377 -0.854 1.00 0.00 C ATOM 438 O LYS A 50 3.603 13.104 -1.728 1.00 0.00 O ATOM 439 CB LYS A 50 2.518 10.978 0.565 1.00 0.00 C ATOM 440 CG LYS A 50 1.638 9.717 0.688 1.00 0.00 C ATOM 441 CD LYS A 50 2.146 8.636 1.663 1.00 0.00 C ATOM 442 CE LYS A 50 2.221 9.071 3.141 1.00 0.00 C ATOM 443 NZ LYS A 50 0.873 9.307 3.737 1.00 0.00 N ATOM 0 H LYS A 50 4.465 9.503 0.509 1.00 0.00 H new ATOM 0 HA LYS A 50 2.961 10.690 -1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.091 11.095 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.869 11.850 0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.640 10.023 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.538 9.269 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.493 7.766 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.138 8.318 1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.740 8.304 3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.813 9.983 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.978 9.597 4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.386 10.058 3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.314 8.431 3.690 1.00 0.00 H new ATOM 457 N GLU A 51 5.124 12.727 -0.117 1.00 0.00 N ATOM 458 CA GLU A 51 5.861 13.988 -0.261 1.00 0.00 C ATOM 459 C GLU A 51 6.797 13.960 -1.483 1.00 0.00 C ATOM 460 O GLU A 51 6.772 14.884 -2.290 1.00 0.00 O ATOM 461 CB GLU A 51 6.648 14.284 1.030 1.00 0.00 C ATOM 462 CG GLU A 51 5.795 14.348 2.305 1.00 0.00 C ATOM 463 CD GLU A 51 4.697 15.428 2.218 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.012 16.632 2.375 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.511 15.082 2.000 1.00 0.00 O ATOM 0 H GLU A 51 5.501 12.127 0.617 1.00 0.00 H new ATOM 0 HA GLU A 51 5.140 14.789 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.410 13.515 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.170 15.234 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.333 13.376 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.438 14.554 3.160 1.00 0.00 H new ATOM 472 N VAL A 52 7.571 12.881 -1.672 1.00 0.00 N ATOM 473 CA VAL A 52 8.506 12.699 -2.805 1.00 0.00 C ATOM 474 C VAL A 52 7.788 12.855 -4.145 1.00 0.00 C ATOM 475 O VAL A 52 8.228 13.631 -4.992 1.00 0.00 O ATOM 476 CB VAL A 52 9.205 11.321 -2.739 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.062 10.999 -3.971 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.122 11.230 -1.518 1.00 0.00 C ATOM 0 H VAL A 52 7.568 12.089 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 52 9.265 13.477 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 52 8.388 10.601 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.519 10.017 -3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.434 10.999 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.843 11.752 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.601 10.251 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.885 12.006 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.534 11.367 -0.610 1.00 0.00 H new ATOM 488 N MET A 53 6.664 12.160 -4.339 1.00 0.00 N ATOM 489 CA MET A 53 5.921 12.223 -5.601 1.00 0.00 C ATOM 490 C MET A 53 5.229 13.577 -5.786 1.00 0.00 C ATOM 491 O MET A 53 5.252 14.108 -6.893 1.00 0.00 O ATOM 492 CB MET A 53 4.917 11.063 -5.693 1.00 0.00 C ATOM 493 CG MET A 53 5.606 9.691 -5.693 1.00 0.00 C ATOM 494 SD MET A 53 6.888 9.426 -6.954 1.00 0.00 S ATOM 495 CE MET A 53 5.902 9.483 -8.475 1.00 0.00 C ATOM 0 H MET A 53 6.248 11.547 -3.638 1.00 0.00 H new ATOM 0 HA MET A 53 6.637 12.120 -6.416 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.224 11.118 -4.853 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.325 11.169 -6.602 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.055 9.535 -4.712 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.841 8.925 -5.819 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.926 8.508 -8.961 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.872 9.741 -8.231 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.315 10.234 -9.148 1.00 0.00 H new ATOM 505 N HIS A 54 4.703 14.189 -4.717 1.00 0.00 N ATOM 506 CA HIS A 54 4.179 15.565 -4.765 1.00 0.00 C ATOM 507 C HIS A 54 5.245 16.547 -5.266 1.00 0.00 C ATOM 508 O HIS A 54 5.024 17.242 -6.257 1.00 0.00 O ATOM 509 CB HIS A 54 3.659 15.992 -3.384 1.00 0.00 C ATOM 510 CG HIS A 54 3.335 17.466 -3.304 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.211 18.085 -3.858 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.136 18.421 -2.745 1.00 0.00 C ATOM 513 CE1 HIS A 54 2.359 19.400 -3.615 1.00 0.00 C ATOM 514 NE2 HIS A 54 3.505 19.628 -2.948 1.00 0.00 N ATOM 0 H HIS A 54 4.628 13.750 -3.799 1.00 0.00 H new ATOM 0 HA HIS A 54 3.348 15.583 -5.470 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.765 15.416 -3.145 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.407 15.749 -2.629 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.079 18.261 -2.243 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.657 20.165 -3.913 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.848 20.539 -2.644 1.00 0.00 H new ATOM 522 N TYR A 55 6.423 16.550 -4.637 1.00 0.00 N ATOM 523 CA TYR A 55 7.560 17.379 -5.040 1.00 0.00 C ATOM 524 C TYR A 55 8.039 17.084 -6.470 1.00 0.00 C ATOM 525 O TYR A 55 8.386 18.022 -7.182 1.00 0.00 O ATOM 526 CB TYR A 55 8.708 17.233 -4.034 1.00 0.00 C ATOM 527 CG TYR A 55 8.513 17.958 -2.711 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.275 19.349 -2.691 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.605 17.251 -1.495 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.099 20.023 -1.467 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.432 17.920 -0.269 1.00 0.00 C ATOM 532 CZ TYR A 55 8.173 19.308 -0.250 1.00 0.00 C ATOM 533 OH TYR A 55 8.011 19.950 0.941 1.00 0.00 O ATOM 0 H TYR A 55 6.616 15.968 -3.822 1.00 0.00 H new ATOM 0 HA TYR A 55 7.216 18.413 -5.041 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.856 16.173 -3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.624 17.599 -4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.228 19.899 -3.619 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.809 16.191 -1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.908 21.086 -1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.497 17.371 0.659 1.00 0.00 H new ATOM 0 HH TYR A 55 8.092 19.305 1.674 1.00 0.00 H new ATOM 543 N LEU A 56 8.000 15.832 -6.938 1.00 0.00 N ATOM 544 CA LEU A 56 8.337 15.478 -8.323 1.00 0.00 C ATOM 545 C LEU A 56 7.322 16.057 -9.322 1.00 0.00 C ATOM 546 O LEU A 56 7.707 16.767 -10.251 1.00 0.00 O ATOM 547 CB LEU A 56 8.445 13.944 -8.449 1.00 0.00 C ATOM 548 CG LEU A 56 9.763 13.364 -7.908 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.656 11.846 -7.778 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.924 13.655 -8.854 1.00 0.00 C ATOM 0 H LEU A 56 7.733 15.031 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 56 9.301 15.921 -8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.612 13.486 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.342 13.668 -9.498 1.00 0.00 H new ATOM 0 HG LEU A 56 9.944 13.830 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.595 11.447 -7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.847 11.596 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.449 11.411 -8.756 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.842 13.233 -8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.721 13.208 -9.827 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.040 14.733 -8.967 1.00 0.00 H new ATOM 562 N GLY A 57 6.027 15.819 -9.103 1.00 0.00 N ATOM 563 CA GLY A 57 4.958 16.335 -9.961 1.00 0.00 C ATOM 564 C GLY A 57 4.939 17.864 -10.004 1.00 0.00 C ATOM 565 O GLY A 57 4.960 18.466 -11.081 1.00 0.00 O ATOM 0 H GLY A 57 5.688 15.259 -8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.086 15.946 -10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.996 15.971 -9.599 1.00 0.00 H new ATOM 569 N GLN A 58 5.020 18.514 -8.837 1.00 0.00 N ATOM 570 CA GLN A 58 5.059 19.975 -8.764 1.00 0.00 C ATOM 571 C GLN A 58 6.365 20.555 -9.333 1.00 0.00 C ATOM 572 O GLN A 58 6.319 21.624 -9.926 1.00 0.00 O ATOM 573 CB GLN A 58 4.689 20.478 -7.353 1.00 0.00 C ATOM 574 CG GLN A 58 5.758 20.285 -6.270 1.00 0.00 C ATOM 575 CD GLN A 58 6.354 21.587 -5.743 1.00 0.00 C ATOM 576 OE1 GLN A 58 6.065 22.029 -4.640 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.227 22.236 -6.484 1.00 0.00 N ATOM 0 H GLN A 58 5.060 18.048 -7.930 1.00 0.00 H new ATOM 0 HA GLN A 58 4.284 20.368 -9.422 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.453 21.540 -7.418 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.780 19.968 -7.034 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.320 19.735 -5.437 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.561 19.668 -6.673 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.478 21.880 -7.406 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.652 23.095 -6.136 1.00 0.00 H new ATOM 586 N TYR A 59 7.517 19.874 -9.240 1.00 0.00 N ATOM 587 CA TYR A 59 8.752 20.283 -9.936 1.00 0.00 C ATOM 588 C TYR A 59 8.579 20.257 -11.457 1.00 0.00 C ATOM 589 O TYR A 59 8.912 21.236 -12.122 1.00 0.00 O ATOM 590 CB TYR A 59 9.920 19.386 -9.503 1.00 0.00 C ATOM 591 CG TYR A 59 11.270 19.695 -10.128 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.614 19.145 -11.379 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.204 20.491 -9.436 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.882 19.400 -11.937 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.478 20.737 -9.984 1.00 0.00 C ATOM 596 CZ TYR A 59 13.820 20.189 -11.240 1.00 0.00 C ATOM 597 OH TYR A 59 15.046 20.416 -11.786 1.00 0.00 O ATOM 0 H TYR A 59 7.621 19.026 -8.683 1.00 0.00 H new ATOM 0 HA TYR A 59 8.974 21.313 -9.655 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.020 19.453 -8.420 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.663 18.353 -9.736 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.905 18.528 -11.910 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.941 20.916 -8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.137 18.989 -12.903 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.191 21.343 -9.445 1.00 0.00 H new ATOM 0 HH TYR A 59 15.574 20.979 -11.182 1.00 0.00 H new ATOM 607 N ILE A 60 7.989 19.189 -12.010 1.00 0.00 N ATOM 608 CA ILE A 60 7.697 19.081 -13.451 1.00 0.00 C ATOM 609 C ILE A 60 6.783 20.242 -13.891 1.00 0.00 C ATOM 610 O ILE A 60 7.096 20.936 -14.864 1.00 0.00 O ATOM 611 CB ILE A 60 7.122 17.674 -13.772 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.178 16.574 -13.499 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.653 17.524 -15.232 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.578 15.168 -13.366 1.00 0.00 C ATOM 0 H ILE A 60 7.699 18.372 -11.472 1.00 0.00 H new ATOM 0 HA ILE A 60 8.614 19.176 -14.033 1.00 0.00 H new ATOM 0 HB ILE A 60 6.257 17.560 -13.119 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.908 16.574 -14.308 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.717 16.818 -12.584 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.263 16.518 -15.387 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.869 18.253 -15.439 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.494 17.695 -15.904 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.375 14.449 -13.176 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.869 15.152 -12.538 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.063 14.903 -14.290 1.00 0.00 H new ATOM 626 N MET A 61 5.718 20.531 -13.134 1.00 0.00 N ATOM 627 CA MET A 61 4.825 21.672 -13.399 1.00 0.00 C ATOM 628 C MET A 61 5.507 23.044 -13.239 1.00 0.00 C ATOM 629 O MET A 61 5.240 23.940 -14.041 1.00 0.00 O ATOM 630 CB MET A 61 3.572 21.594 -12.507 1.00 0.00 C ATOM 631 CG MET A 61 2.403 20.817 -13.131 1.00 0.00 C ATOM 632 SD MET A 61 2.623 19.032 -13.375 1.00 0.00 S ATOM 633 CE MET A 61 3.249 18.975 -15.075 1.00 0.00 C ATOM 0 H MET A 61 5.448 19.981 -12.318 1.00 0.00 H new ATOM 0 HA MET A 61 4.539 21.593 -14.448 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.842 21.125 -11.561 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.239 22.606 -12.277 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.526 20.965 -12.501 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.180 21.264 -14.100 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.463 17.942 -15.349 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.499 19.382 -15.753 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.162 19.566 -15.147 1.00 0.00 H new ATOM 643 N VAL A 62 6.399 23.232 -12.256 1.00 0.00 N ATOM 644 CA VAL A 62 7.064 24.514 -11.982 1.00 0.00 C ATOM 645 C VAL A 62 8.145 24.823 -13.016 1.00 0.00 C ATOM 646 O VAL A 62 8.235 25.951 -13.505 1.00 0.00 O ATOM 647 CB VAL A 62 7.618 24.478 -10.541 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.759 25.450 -10.270 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.498 24.769 -9.539 1.00 0.00 C ATOM 0 H VAL A 62 6.683 22.487 -11.620 1.00 0.00 H new ATOM 0 HA VAL A 62 6.343 25.328 -12.064 1.00 0.00 H new ATOM 0 HB VAL A 62 8.021 23.472 -10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.082 25.352 -9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.594 25.224 -10.933 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.419 26.470 -10.450 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.900 24.741 -8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.080 25.756 -9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.715 24.017 -9.640 1.00 0.00 H new ATOM 659 N LYS A 63 8.939 23.812 -13.382 1.00 0.00 N ATOM 660 CA LYS A 63 9.986 23.915 -14.407 1.00 0.00 C ATOM 661 C LYS A 63 9.439 23.763 -15.839 1.00 0.00 C ATOM 662 O LYS A 63 10.130 24.138 -16.785 1.00 0.00 O ATOM 663 CB LYS A 63 11.116 22.920 -14.079 1.00 0.00 C ATOM 664 CG LYS A 63 11.801 23.124 -12.715 1.00 0.00 C ATOM 665 CD LYS A 63 12.480 24.495 -12.568 1.00 0.00 C ATOM 666 CE LYS A 63 13.263 24.560 -11.249 1.00 0.00 C ATOM 667 NZ LYS A 63 13.946 25.875 -11.082 1.00 0.00 N ATOM 0 H LYS A 63 8.872 22.882 -12.968 1.00 0.00 H new ATOM 0 HA LYS A 63 10.400 24.923 -14.384 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.709 21.910 -14.114 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.873 22.986 -14.860 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.060 23.008 -11.924 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.546 22.341 -12.571 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.153 24.668 -13.408 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.730 25.285 -12.593 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.584 24.393 -10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.002 23.759 -11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.465 25.885 -10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.612 26.022 -11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.238 26.636 -11.081 1.00 0.00 H new ATOM 681 N GLN A 64 8.199 23.272 -16.003 1.00 0.00 N ATOM 682 CA GLN A 64 7.494 23.114 -17.290 1.00 0.00 C ATOM 683 C GLN A 64 8.105 22.026 -18.187 1.00 0.00 C ATOM 684 O GLN A 64 8.384 22.214 -19.372 1.00 0.00 O ATOM 685 CB GLN A 64 7.222 24.461 -17.988 1.00 0.00 C ATOM 686 CG GLN A 64 6.574 25.462 -17.025 1.00 0.00 C ATOM 687 CD GLN A 64 6.110 26.731 -17.738 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.811 27.734 -17.805 1.00 0.00 O ATOM 689 NE2 GLN A 64 4.923 26.741 -18.310 1.00 0.00 N ATOM 0 H GLN A 64 7.636 22.961 -15.211 1.00 0.00 H new ATOM 0 HA GLN A 64 6.502 22.727 -17.056 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.157 24.872 -18.369 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.570 24.304 -18.847 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.723 24.992 -16.533 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.287 25.726 -16.244 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.327 25.914 -18.263 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.600 27.575 -18.799 1.00 0.00 H new ATOM 698 N LEU A 65 8.288 20.853 -17.577 1.00 0.00 N ATOM 699 CA LEU A 65 8.885 19.640 -18.146 1.00 0.00 C ATOM 700 C LEU A 65 7.815 18.716 -18.759 1.00 0.00 C ATOM 701 O LEU A 65 7.873 17.502 -18.608 1.00 0.00 O ATOM 702 CB LEU A 65 9.707 18.965 -17.028 1.00 0.00 C ATOM 703 CG LEU A 65 11.138 19.491 -16.807 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.332 20.988 -16.977 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.603 19.115 -15.397 1.00 0.00 C ATOM 0 H LEU A 65 8.004 20.715 -16.607 1.00 0.00 H new ATOM 0 HA LEU A 65 9.546 19.884 -18.977 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.158 19.069 -16.092 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.766 17.899 -17.246 1.00 0.00 H new ATOM 0 HG LEU A 65 11.727 19.020 -17.594 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.377 21.242 -16.797 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.057 21.278 -17.991 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.702 21.520 -16.264 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.615 19.486 -15.237 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.933 19.561 -14.662 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.592 18.031 -15.287 1.00 0.00 H new ATOM 717 N TYR A 66 6.788 19.268 -19.401 1.00 0.00 N ATOM 718 CA TYR A 66 5.653 18.509 -19.945 1.00 0.00 C ATOM 719 C TYR A 66 5.061 19.177 -21.205 1.00 0.00 C ATOM 720 O TYR A 66 5.372 20.332 -21.510 1.00 0.00 O ATOM 721 CB TYR A 66 4.583 18.363 -18.845 1.00 0.00 C ATOM 722 CG TYR A 66 3.886 19.657 -18.444 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.521 20.584 -17.591 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.589 19.930 -18.920 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.868 21.780 -17.232 1.00 0.00 C ATOM 726 CE2 TYR A 66 1.933 21.126 -18.568 1.00 0.00 C ATOM 727 CZ TYR A 66 2.575 22.057 -17.723 1.00 0.00 C ATOM 728 OH TYR A 66 1.958 23.220 -17.371 1.00 0.00 O ATOM 0 H TYR A 66 6.715 20.272 -19.563 1.00 0.00 H new ATOM 0 HA TYR A 66 6.005 17.525 -20.254 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.829 17.653 -19.185 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.051 17.931 -17.960 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.511 20.376 -17.212 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.093 19.216 -19.561 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.359 22.487 -16.579 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.941 21.330 -18.944 1.00 0.00 H new ATOM 0 HH TYR A 66 1.074 23.262 -17.792 1.00 0.00 H new ATOM 738 N ASP A 67 4.197 18.466 -21.939 1.00 0.00 N ATOM 739 CA ASP A 67 3.471 19.010 -23.101 1.00 0.00 C ATOM 740 C ASP A 67 2.097 19.585 -22.710 1.00 0.00 C ATOM 741 O ASP A 67 1.359 18.974 -21.936 1.00 0.00 O ATOM 742 CB ASP A 67 3.302 17.924 -24.165 1.00 0.00 C ATOM 743 CG ASP A 67 2.690 18.495 -25.451 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.443 18.578 -25.529 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.454 18.897 -26.361 1.00 0.00 O ATOM 0 H ASP A 67 3.978 17.489 -21.745 1.00 0.00 H new ATOM 0 HA ASP A 67 4.064 19.831 -23.504 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.270 17.476 -24.388 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.665 17.129 -23.778 1.00 0.00 H new ATOM 750 N GLN A 68 1.716 20.737 -23.273 1.00 0.00 N ATOM 751 CA GLN A 68 0.485 21.437 -22.900 1.00 0.00 C ATOM 752 C GLN A 68 -0.827 20.749 -23.323 1.00 0.00 C ATOM 753 O GLN A 68 -1.872 21.035 -22.733 1.00 0.00 O ATOM 754 CB GLN A 68 0.567 22.890 -23.397 1.00 0.00 C ATOM 755 CG GLN A 68 0.444 23.040 -24.927 1.00 0.00 C ATOM 756 CD GLN A 68 0.564 24.487 -25.418 1.00 0.00 C ATOM 757 OE1 GLN A 68 0.717 25.443 -24.666 1.00 0.00 O ATOM 758 NE2 GLN A 68 0.496 24.711 -26.715 1.00 0.00 N ATOM 0 H GLN A 68 2.254 21.209 -24.000 1.00 0.00 H new ATOM 0 HA GLN A 68 0.431 21.411 -21.812 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.223 23.471 -22.921 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.516 23.320 -23.076 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.217 22.439 -25.405 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.517 22.636 -25.246 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.369 23.932 -27.361 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.570 25.663 -27.073 1.00 0.00 H new ATOM 767 N GLN A 69 -0.790 19.834 -24.297 1.00 0.00 N ATOM 768 CA GLN A 69 -1.924 18.993 -24.701 1.00 0.00 C ATOM 769 C GLN A 69 -1.764 17.548 -24.194 1.00 0.00 C ATOM 770 O GLN A 69 -2.753 16.931 -23.793 1.00 0.00 O ATOM 771 CB GLN A 69 -2.074 19.063 -26.232 1.00 0.00 C ATOM 772 CG GLN A 69 -3.222 18.219 -26.815 1.00 0.00 C ATOM 773 CD GLN A 69 -4.606 18.621 -26.302 1.00 0.00 C ATOM 774 OE1 GLN A 69 -5.311 19.429 -26.895 1.00 0.00 O ATOM 775 NE2 GLN A 69 -5.051 18.083 -25.184 1.00 0.00 N ATOM 0 H GLN A 69 0.053 19.652 -24.842 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.839 19.369 -24.243 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.226 20.103 -26.519 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.138 18.740 -26.688 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.208 18.305 -27.902 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.047 17.170 -26.576 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.476 17.409 -24.678 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.970 18.341 -24.824 1.00 0.00 H new ATOM 784 N GLU A 70 -0.536 17.026 -24.145 1.00 0.00 N ATOM 785 CA GLU A 70 -0.221 15.686 -23.626 1.00 0.00 C ATOM 786 C GLU A 70 0.262 15.795 -22.169 1.00 0.00 C ATOM 787 O GLU A 70 1.385 15.427 -21.836 1.00 0.00 O ATOM 788 CB GLU A 70 0.749 14.928 -24.559 1.00 0.00 C ATOM 789 CG GLU A 70 0.246 14.731 -25.997 1.00 0.00 C ATOM 790 CD GLU A 70 -0.940 13.750 -26.075 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.711 12.516 -26.073 1.00 0.00 O ATOM 792 OE2 GLU A 70 -2.109 14.201 -26.151 1.00 0.00 O ATOM 0 H GLU A 70 0.288 17.532 -24.471 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.125 15.076 -23.614 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.695 15.469 -24.592 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.956 13.950 -24.125 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.055 15.694 -26.409 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.062 14.360 -26.617 1.00 0.00 H new ATOM 799 N GLN A 71 -0.582 16.339 -21.283 1.00 0.00 N ATOM 800 CA GLN A 71 -0.198 16.694 -19.903 1.00 0.00 C ATOM 801 C GLN A 71 0.131 15.466 -19.024 1.00 0.00 C ATOM 802 O GLN A 71 0.826 15.582 -18.014 1.00 0.00 O ATOM 803 CB GLN A 71 -1.300 17.558 -19.266 1.00 0.00 C ATOM 804 CG GLN A 71 -1.518 18.886 -20.017 1.00 0.00 C ATOM 805 CD GLN A 71 -2.595 19.782 -19.399 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.085 19.580 -18.294 1.00 0.00 O ATOM 807 NE2 GLN A 71 -3.008 20.821 -20.096 1.00 0.00 N ATOM 0 H GLN A 71 -1.556 16.548 -21.501 1.00 0.00 H new ATOM 0 HA GLN A 71 0.727 17.268 -19.961 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.234 16.996 -19.250 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.037 17.770 -18.229 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.576 19.434 -20.045 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.791 18.667 -21.049 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.613 21.006 -21.018 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.723 21.440 -19.714 1.00 0.00 H new ATOM 816 N HIS A 72 -0.333 14.280 -19.433 1.00 0.00 N ATOM 817 CA HIS A 72 0.025 12.962 -18.885 1.00 0.00 C ATOM 818 C HIS A 72 1.447 12.500 -19.263 1.00 0.00 C ATOM 819 O HIS A 72 1.942 11.525 -18.694 1.00 0.00 O ATOM 820 CB HIS A 72 -1.016 11.951 -19.395 1.00 0.00 C ATOM 821 CG HIS A 72 -1.189 11.965 -20.897 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.073 12.795 -21.595 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.489 11.209 -21.794 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.908 12.497 -22.894 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.955 11.560 -23.043 1.00 0.00 N ATOM 0 H HIS A 72 -1.005 14.207 -20.197 1.00 0.00 H new ATOM 0 HA HIS A 72 0.023 13.032 -17.797 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.722 10.950 -19.081 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.976 12.163 -18.925 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.277 10.481 -21.569 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.462 12.946 -23.705 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.632 11.174 -23.930 1.00 0.00 H new ATOM 833 N MET A 73 2.092 13.174 -20.218 1.00 0.00 N ATOM 834 CA MET A 73 3.424 12.889 -20.756 1.00 0.00 C ATOM 835 C MET A 73 4.449 13.930 -20.267 1.00 0.00 C ATOM 836 O MET A 73 4.167 15.130 -20.213 1.00 0.00 O ATOM 837 CB MET A 73 3.335 12.850 -22.293 1.00 0.00 C ATOM 838 CG MET A 73 4.595 12.336 -22.956 1.00 0.00 C ATOM 839 SD MET A 73 4.903 10.588 -22.655 1.00 0.00 S ATOM 840 CE MET A 73 6.621 10.672 -23.148 1.00 0.00 C ATOM 0 H MET A 73 1.669 13.987 -20.666 1.00 0.00 H new ATOM 0 HA MET A 73 3.770 11.920 -20.397 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.496 12.218 -22.585 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.122 13.853 -22.663 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.525 12.505 -24.031 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.447 12.914 -22.597 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.795 9.989 -23.979 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.861 11.689 -23.458 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.255 10.389 -22.308 1.00 0.00 H new ATOM 850 N VAL A 74 5.655 13.473 -19.925 1.00 0.00 N ATOM 851 CA VAL A 74 6.741 14.275 -19.350 1.00 0.00 C ATOM 852 C VAL A 74 7.878 14.370 -20.367 1.00 0.00 C ATOM 853 O VAL A 74 8.226 13.389 -21.023 1.00 0.00 O ATOM 854 CB VAL A 74 7.195 13.684 -17.998 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.295 14.520 -17.341 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.016 13.625 -17.015 1.00 0.00 C ATOM 0 H VAL A 74 5.914 12.494 -20.045 1.00 0.00 H new ATOM 0 HA VAL A 74 6.394 15.286 -19.138 1.00 0.00 H new ATOM 0 HB VAL A 74 7.578 12.687 -18.215 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.581 14.064 -16.393 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.162 14.562 -18.000 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.926 15.530 -17.162 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.353 13.206 -16.067 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.629 14.631 -16.850 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.228 12.997 -17.430 1.00 0.00 H new ATOM 866 N TYR A 75 8.444 15.567 -20.489 1.00 0.00 N ATOM 867 CA TYR A 75 9.424 15.988 -21.487 1.00 0.00 C ATOM 868 C TYR A 75 10.534 16.818 -20.829 1.00 0.00 C ATOM 869 O TYR A 75 10.699 18.018 -21.050 1.00 0.00 O ATOM 870 CB TYR A 75 8.715 16.715 -22.637 1.00 0.00 C ATOM 871 CG TYR A 75 8.024 15.750 -23.575 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.795 14.767 -24.224 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.634 15.809 -23.782 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.181 13.840 -25.080 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.018 14.898 -24.663 1.00 0.00 C ATOM 876 CZ TYR A 75 6.790 13.912 -25.317 1.00 0.00 C ATOM 877 OH TYR A 75 6.186 13.037 -26.169 1.00 0.00 O ATOM 0 H TYR A 75 8.213 16.324 -19.846 1.00 0.00 H new ATOM 0 HA TYR A 75 9.915 15.117 -21.921 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.983 17.412 -22.229 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.441 17.306 -23.195 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.862 14.726 -24.063 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.041 16.550 -23.267 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.771 13.072 -25.557 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.954 14.954 -24.839 1.00 0.00 H new ATOM 0 HH TYR A 75 5.226 13.231 -26.211 1.00 0.00 H new ATOM 887 N CYS A 76 11.322 16.117 -20.022 1.00 0.00 N ATOM 888 CA CYS A 76 12.583 16.560 -19.411 1.00 0.00 C ATOM 889 C CYS A 76 13.779 16.554 -20.401 1.00 0.00 C ATOM 890 O CYS A 76 14.905 16.254 -19.997 1.00 0.00 O ATOM 891 CB CYS A 76 12.880 15.669 -18.190 1.00 0.00 C ATOM 892 SG CYS A 76 11.575 15.745 -16.935 1.00 0.00 S ATOM 0 H CYS A 76 11.087 15.161 -19.756 1.00 0.00 H new ATOM 0 HA CYS A 76 12.460 17.599 -19.104 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.002 14.637 -18.519 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.826 15.975 -17.744 1.00 0.00 H new ATOM 0 HG CYS A 76 11.887 14.972 -15.938 1.00 0.00 H new ATOM 898 N GLY A 77 13.543 16.855 -21.687 1.00 0.00 N ATOM 899 CA GLY A 77 14.453 16.696 -22.841 1.00 0.00 C ATOM 900 C GLY A 77 15.927 17.100 -22.668 1.00 0.00 C ATOM 901 O GLY A 77 16.804 16.479 -23.273 1.00 0.00 O ATOM 0 H GLY A 77 12.645 17.245 -21.973 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.428 15.649 -23.142 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.044 17.275 -23.669 1.00 0.00 H new ATOM 905 N GLY A 78 16.210 18.093 -21.824 1.00 0.00 N ATOM 906 CA GLY A 78 17.563 18.465 -21.386 1.00 0.00 C ATOM 907 C GLY A 78 17.594 18.981 -19.942 1.00 0.00 C ATOM 908 O GLY A 78 18.446 19.801 -19.595 1.00 0.00 O ATOM 0 H GLY A 78 15.485 18.680 -21.412 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.220 17.600 -21.473 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.958 19.233 -22.051 1.00 0.00 H new ATOM 912 N ASP A 79 16.634 18.556 -19.115 1.00 0.00 N ATOM 913 CA ASP A 79 16.361 19.093 -17.790 1.00 0.00 C ATOM 914 C ASP A 79 16.915 18.206 -16.668 1.00 0.00 C ATOM 915 O ASP A 79 16.948 16.979 -16.792 1.00 0.00 O ATOM 916 CB ASP A 79 14.848 19.270 -17.690 1.00 0.00 C ATOM 917 CG ASP A 79 14.334 20.259 -18.751 1.00 0.00 C ATOM 918 OD1 ASP A 79 14.504 21.488 -18.562 1.00 0.00 O ATOM 919 OD2 ASP A 79 13.791 19.803 -19.785 1.00 0.00 O ATOM 0 H ASP A 79 16.002 17.796 -19.367 1.00 0.00 H new ATOM 0 HA ASP A 79 16.869 20.048 -17.660 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.357 18.306 -17.819 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.586 19.630 -16.695 1.00 0.00 H new ATOM 924 N LEU A 80 17.309 18.820 -15.544 1.00 0.00 N ATOM 925 CA LEU A 80 18.062 18.153 -14.471 1.00 0.00 C ATOM 926 C LEU A 80 17.383 16.889 -13.929 1.00 0.00 C ATOM 927 O LEU A 80 18.068 15.892 -13.728 1.00 0.00 O ATOM 928 CB LEU A 80 18.345 19.146 -13.326 1.00 0.00 C ATOM 929 CG LEU A 80 19.280 20.318 -13.683 1.00 0.00 C ATOM 930 CD1 LEU A 80 19.420 21.245 -12.475 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.680 19.853 -14.089 1.00 0.00 C ATOM 0 H LEU A 80 17.113 19.802 -15.352 1.00 0.00 H new ATOM 0 HA LEU A 80 19.000 17.821 -14.917 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.396 19.554 -12.979 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.781 18.597 -12.491 1.00 0.00 H new ATOM 0 HG LEU A 80 18.831 20.833 -14.532 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.081 22.074 -12.727 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.440 21.634 -12.199 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.839 20.689 -11.636 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.296 20.720 -14.330 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.134 19.303 -13.265 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.609 19.205 -14.962 1.00 0.00 H new ATOM 943 N LEU A 81 16.054 16.874 -13.764 1.00 0.00 N ATOM 944 CA LEU A 81 15.328 15.667 -13.341 1.00 0.00 C ATOM 945 C LEU A 81 15.493 14.518 -14.354 1.00 0.00 C ATOM 946 O LEU A 81 15.796 13.398 -13.958 1.00 0.00 O ATOM 947 CB LEU A 81 13.853 16.031 -13.074 1.00 0.00 C ATOM 948 CG LEU A 81 12.901 14.844 -12.809 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.325 13.957 -11.638 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.501 15.377 -12.508 1.00 0.00 C ATOM 0 H LEU A 81 15.457 17.687 -13.917 1.00 0.00 H new ATOM 0 HA LEU A 81 15.756 15.293 -12.411 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.814 16.701 -12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.476 16.589 -13.931 1.00 0.00 H new ATOM 0 HG LEU A 81 12.927 14.232 -13.711 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.606 13.147 -11.516 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.312 13.539 -11.837 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.360 14.552 -10.725 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.826 14.542 -12.320 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.537 16.019 -11.628 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.139 15.951 -13.361 1.00 0.00 H new ATOM 962 N GLY A 82 15.356 14.780 -15.657 1.00 0.00 N ATOM 963 CA GLY A 82 15.522 13.755 -16.699 1.00 0.00 C ATOM 964 C GLY A 82 16.962 13.246 -16.809 1.00 0.00 C ATOM 965 O GLY A 82 17.197 12.047 -16.965 1.00 0.00 O ATOM 0 H GLY A 82 15.128 15.705 -16.021 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.861 12.916 -16.485 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.213 14.167 -17.660 1.00 0.00 H new ATOM 969 N GLU A 83 17.937 14.147 -16.690 1.00 0.00 N ATOM 970 CA GLU A 83 19.373 13.823 -16.684 1.00 0.00 C ATOM 971 C GLU A 83 19.744 12.923 -15.497 1.00 0.00 C ATOM 972 O GLU A 83 20.360 11.870 -15.670 1.00 0.00 O ATOM 973 CB GLU A 83 20.191 15.117 -16.571 1.00 0.00 C ATOM 974 CG GLU A 83 20.038 16.082 -17.744 1.00 0.00 C ATOM 975 CD GLU A 83 21.000 15.739 -18.897 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.694 14.822 -19.697 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.073 16.381 -19.012 1.00 0.00 O ATOM 0 H GLU A 83 17.752 15.145 -16.593 1.00 0.00 H new ATOM 0 HA GLU A 83 19.594 13.297 -17.613 1.00 0.00 H new ATOM 0 HB2 GLU A 83 19.902 15.633 -15.656 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.244 14.855 -16.470 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.011 16.053 -18.107 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.227 17.100 -17.404 1.00 0.00 H new ATOM 984 N LEU A 84 19.343 13.338 -14.290 1.00 0.00 N ATOM 985 CA LEU A 84 19.665 12.655 -13.032 1.00 0.00 C ATOM 986 C LEU A 84 18.849 11.362 -12.819 1.00 0.00 C ATOM 987 O LEU A 84 19.366 10.428 -12.202 1.00 0.00 O ATOM 988 CB LEU A 84 19.522 13.649 -11.861 1.00 0.00 C ATOM 989 CG LEU A 84 20.755 14.548 -11.602 1.00 0.00 C ATOM 990 CD1 LEU A 84 21.343 15.253 -12.828 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.407 15.641 -10.590 1.00 0.00 C ATOM 0 H LEU A 84 18.774 14.174 -14.158 1.00 0.00 H new ATOM 0 HA LEU A 84 20.701 12.320 -13.081 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.660 14.289 -12.052 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.306 13.086 -10.953 1.00 0.00 H new ATOM 0 HG LEU A 84 21.509 13.848 -11.241 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.201 15.854 -12.526 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.660 14.509 -13.558 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.587 15.899 -13.274 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.282 16.267 -10.416 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.594 16.253 -10.981 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.096 15.182 -9.651 1.00 0.00 H new ATOM 1003 N LEU A 85 17.624 11.256 -13.362 1.00 0.00 N ATOM 1004 CA LEU A 85 16.869 9.989 -13.397 1.00 0.00 C ATOM 1005 C LEU A 85 17.387 9.040 -14.487 1.00 0.00 C ATOM 1006 O LEU A 85 17.338 7.821 -14.318 1.00 0.00 O ATOM 1007 CB LEU A 85 15.345 10.251 -13.437 1.00 0.00 C ATOM 1008 CG LEU A 85 14.603 10.245 -14.788 1.00 0.00 C ATOM 1009 CD1 LEU A 85 14.142 8.839 -15.189 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.327 11.084 -14.696 1.00 0.00 C ATOM 0 H LEU A 85 17.130 12.041 -13.787 1.00 0.00 H new ATOM 0 HA LEU A 85 17.047 9.452 -12.465 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.870 9.504 -12.801 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.169 11.222 -12.974 1.00 0.00 H new ATOM 0 HG LEU A 85 15.310 10.640 -15.518 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.624 8.885 -16.147 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.008 8.183 -15.276 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.465 8.448 -14.430 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.813 11.071 -15.657 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.673 10.669 -13.929 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.585 12.111 -14.436 1.00 0.00 H new ATOM 1022 N GLY A 86 17.914 9.595 -15.585 1.00 0.00 N ATOM 1023 CA GLY A 86 18.524 8.841 -16.685 1.00 0.00 C ATOM 1024 C GLY A 86 17.577 8.569 -17.858 1.00 0.00 C ATOM 1025 O GLY A 86 17.985 7.924 -18.825 1.00 0.00 O ATOM 0 H GLY A 86 17.928 10.604 -15.736 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.390 9.391 -17.052 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.890 7.889 -16.300 1.00 0.00 H new ATOM 1029 N ARG A 87 16.337 9.085 -17.807 1.00 0.00 N ATOM 1030 CA ARG A 87 15.393 9.090 -18.940 1.00 0.00 C ATOM 1031 C ARG A 87 14.757 10.474 -19.067 1.00 0.00 C ATOM 1032 O ARG A 87 14.208 10.993 -18.101 1.00 0.00 O ATOM 1033 CB ARG A 87 14.341 7.969 -18.768 1.00 0.00 C ATOM 1034 CG ARG A 87 14.040 7.213 -20.073 1.00 0.00 C ATOM 1035 CD ARG A 87 15.114 6.159 -20.377 1.00 0.00 C ATOM 1036 NE ARG A 87 14.902 5.549 -21.707 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.326 4.394 -21.997 1.00 0.00 C ATOM 1038 NH1 ARG A 87 13.848 3.597 -21.081 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.217 4.011 -23.237 1.00 0.00 N ATOM 0 H ARG A 87 15.956 9.517 -16.965 1.00 0.00 H new ATOM 0 HA ARG A 87 15.925 8.883 -19.869 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.694 7.260 -18.019 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.417 8.403 -18.386 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.066 6.729 -19.997 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.981 7.922 -20.899 1.00 0.00 H new ATOM 0 HD2 ARG A 87 16.101 6.620 -20.338 1.00 0.00 H new ATOM 0 HD3 ARG A 87 15.094 5.384 -19.611 1.00 0.00 H new ATOM 0 HE ARG A 87 15.244 6.088 -22.503 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.911 3.856 -20.096 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.412 2.715 -21.350 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.576 4.602 -23.987 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.773 3.120 -23.458 1.00 0.00 H new ATOM 1053 N GLN A 88 14.832 11.078 -20.252 1.00 0.00 N ATOM 1054 CA GLN A 88 14.375 12.458 -20.490 1.00 0.00 C ATOM 1055 C GLN A 88 12.890 12.552 -20.897 1.00 0.00 C ATOM 1056 O GLN A 88 12.366 13.651 -21.059 1.00 0.00 O ATOM 1057 CB GLN A 88 15.320 13.155 -21.484 1.00 0.00 C ATOM 1058 CG GLN A 88 16.731 13.431 -20.926 1.00 0.00 C ATOM 1059 CD GLN A 88 17.653 12.210 -20.952 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.069 11.741 -22.004 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.994 11.613 -19.825 1.00 0.00 N ATOM 0 H GLN A 88 15.213 10.626 -21.083 1.00 0.00 H new ATOM 0 HA GLN A 88 14.423 12.994 -19.542 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.409 12.537 -22.378 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.872 14.100 -21.793 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.190 14.234 -21.503 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.643 13.787 -19.899 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.663 11.980 -18.933 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.589 10.784 -19.846 1.00 0.00 H new ATOM 1070 N SER A 89 12.190 11.421 -21.021 1.00 0.00 N ATOM 1071 CA SER A 89 10.735 11.368 -21.239 1.00 0.00 C ATOM 1072 C SER A 89 10.122 10.063 -20.715 1.00 0.00 C ATOM 1073 O SER A 89 10.738 8.995 -20.767 1.00 0.00 O ATOM 1074 CB SER A 89 10.391 11.580 -22.722 1.00 0.00 C ATOM 1075 OG SER A 89 10.963 10.585 -23.562 1.00 0.00 O ATOM 0 H SER A 89 12.623 10.499 -20.972 1.00 0.00 H new ATOM 0 HA SER A 89 10.295 12.184 -20.666 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.308 11.575 -22.845 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.743 12.562 -23.036 1.00 0.00 H new ATOM 0 HG SER A 89 10.715 10.761 -24.494 1.00 0.00 H new ATOM 1081 N PHE A 90 8.911 10.174 -20.168 1.00 0.00 N ATOM 1082 CA PHE A 90 8.085 9.093 -19.612 1.00 0.00 C ATOM 1083 C PHE A 90 6.635 9.593 -19.474 1.00 0.00 C ATOM 1084 O PHE A 90 6.384 10.786 -19.652 1.00 0.00 O ATOM 1085 CB PHE A 90 8.652 8.643 -18.249 1.00 0.00 C ATOM 1086 CG PHE A 90 8.650 9.697 -17.154 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.746 10.572 -17.000 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.549 9.799 -16.282 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.725 11.558 -15.997 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.530 10.784 -15.281 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.613 11.668 -15.142 1.00 0.00 C ATOM 0 H PHE A 90 8.447 11.080 -20.095 1.00 0.00 H new ATOM 0 HA PHE A 90 8.099 8.231 -20.279 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.077 7.784 -17.903 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.676 8.301 -18.397 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.602 10.485 -17.653 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.717 9.118 -16.383 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.562 12.231 -15.883 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.682 10.862 -14.617 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.592 12.432 -14.379 1.00 0.00 H new ATOM 1101 N SER A 91 5.673 8.729 -19.139 1.00 0.00 N ATOM 1102 CA SER A 91 4.286 9.133 -18.877 1.00 0.00 C ATOM 1103 C SER A 91 3.782 8.649 -17.516 1.00 0.00 C ATOM 1104 O SER A 91 4.367 7.760 -16.895 1.00 0.00 O ATOM 1105 CB SER A 91 3.383 8.653 -20.016 1.00 0.00 C ATOM 1106 OG SER A 91 2.925 7.331 -19.798 1.00 0.00 O ATOM 0 H SER A 91 5.833 7.726 -19.041 1.00 0.00 H new ATOM 0 HA SER A 91 4.256 10.222 -18.837 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.529 9.323 -20.111 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.930 8.698 -20.958 1.00 0.00 H new ATOM 0 HG SER A 91 2.350 7.057 -20.543 1.00 0.00 H new ATOM 1112 N VAL A 92 2.657 9.201 -17.055 1.00 0.00 N ATOM 1113 CA VAL A 92 1.971 8.723 -15.842 1.00 0.00 C ATOM 1114 C VAL A 92 1.348 7.323 -16.022 1.00 0.00 C ATOM 1115 O VAL A 92 1.119 6.614 -15.040 1.00 0.00 O ATOM 1116 CB VAL A 92 0.948 9.780 -15.386 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.350 9.758 -16.199 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.639 9.640 -13.900 1.00 0.00 C ATOM 0 H VAL A 92 2.194 9.989 -17.507 1.00 0.00 H new ATOM 0 HA VAL A 92 2.711 8.596 -15.051 1.00 0.00 H new ATOM 0 HB VAL A 92 1.419 10.746 -15.567 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.026 10.527 -15.826 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.125 9.950 -17.248 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.823 8.781 -16.102 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.086 10.399 -13.606 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.227 8.650 -13.706 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.555 9.771 -13.324 1.00 0.00 H new ATOM 1128 N LYS A 93 1.109 6.900 -17.276 1.00 0.00 N ATOM 1129 CA LYS A 93 0.586 5.585 -17.662 1.00 0.00 C ATOM 1130 C LYS A 93 1.694 4.530 -17.828 1.00 0.00 C ATOM 1131 O LYS A 93 1.450 3.343 -17.610 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.244 5.800 -18.941 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.963 4.524 -19.385 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.004 4.763 -20.494 1.00 0.00 C ATOM 1135 CE LYS A 93 -1.434 5.309 -21.815 1.00 0.00 C ATOM 1136 NZ LYS A 93 -0.613 4.301 -22.545 1.00 0.00 N ATOM 0 H LYS A 93 1.285 7.497 -18.084 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.043 5.175 -16.872 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.978 6.587 -18.768 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.409 6.144 -19.743 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.225 3.804 -19.739 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.458 4.076 -18.523 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.517 3.823 -20.698 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.754 5.462 -20.123 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.255 5.635 -22.454 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.824 6.188 -21.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.253 4.719 -23.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.187 4.008 -21.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.200 3.472 -22.769 1.00 0.00 H new ATOM 1150 N ASP A 94 2.915 4.959 -18.154 1.00 0.00 N ATOM 1151 CA ASP A 94 4.124 4.136 -18.238 1.00 0.00 C ATOM 1152 C ASP A 94 5.282 4.799 -17.457 1.00 0.00 C ATOM 1153 O ASP A 94 6.222 5.340 -18.053 1.00 0.00 O ATOM 1154 CB ASP A 94 4.468 3.862 -19.711 1.00 0.00 C ATOM 1155 CG ASP A 94 5.705 2.955 -19.875 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.082 2.236 -18.915 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.289 2.935 -20.986 1.00 0.00 O ATOM 0 H ASP A 94 3.097 5.937 -18.378 1.00 0.00 H new ATOM 0 HA ASP A 94 3.948 3.169 -17.767 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.613 3.394 -20.199 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.647 4.809 -20.220 1.00 0.00 H new ATOM 1162 N PRO A 95 5.227 4.769 -16.109 1.00 0.00 N ATOM 1163 CA PRO A 95 6.254 5.322 -15.230 1.00 0.00 C ATOM 1164 C PRO A 95 7.468 4.386 -15.077 1.00 0.00 C ATOM 1165 O PRO A 95 8.230 4.545 -14.132 1.00 0.00 O ATOM 1166 CB PRO A 95 5.522 5.581 -13.907 1.00 0.00 C ATOM 1167 CG PRO A 95 4.546 4.409 -13.843 1.00 0.00 C ATOM 1168 CD PRO A 95 4.122 4.257 -15.303 1.00 0.00 C ATOM 0 HA PRO A 95 6.692 6.235 -15.632 1.00 0.00 H new ATOM 0 HB2 PRO A 95 6.206 5.588 -13.058 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.006 6.541 -13.909 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.021 3.505 -13.461 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.697 4.622 -13.193 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.918 3.213 -15.542 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.206 4.814 -15.501 1.00 0.00 H new ATOM 1176 N SER A 96 7.684 3.405 -15.962 1.00 0.00 N ATOM 1177 CA SER A 96 8.730 2.370 -15.824 1.00 0.00 C ATOM 1178 C SER A 96 10.146 2.899 -15.500 1.00 0.00 C ATOM 1179 O SER A 96 10.717 2.442 -14.505 1.00 0.00 O ATOM 1180 CB SER A 96 8.771 1.464 -17.065 1.00 0.00 C ATOM 1181 OG SER A 96 7.539 0.787 -17.244 1.00 0.00 O ATOM 0 H SER A 96 7.129 3.302 -16.812 1.00 0.00 H new ATOM 0 HA SER A 96 8.432 1.795 -14.947 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.992 2.062 -17.949 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.577 0.737 -16.962 1.00 0.00 H new ATOM 0 HG SER A 96 6.959 1.314 -17.833 1.00 0.00 H new ATOM 1187 N PRO A 97 10.725 3.884 -16.230 1.00 0.00 N ATOM 1188 CA PRO A 97 12.024 4.467 -15.862 1.00 0.00 C ATOM 1189 C PRO A 97 11.965 5.302 -14.572 1.00 0.00 C ATOM 1190 O PRO A 97 12.964 5.423 -13.866 1.00 0.00 O ATOM 1191 CB PRO A 97 12.430 5.343 -17.047 1.00 0.00 C ATOM 1192 CG PRO A 97 11.091 5.755 -17.657 1.00 0.00 C ATOM 1193 CD PRO A 97 10.235 4.508 -17.457 1.00 0.00 C ATOM 0 HA PRO A 97 12.745 3.676 -15.657 1.00 0.00 H new ATOM 0 HB2 PRO A 97 13.009 6.209 -16.727 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.045 4.794 -17.760 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.666 6.623 -17.153 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.189 6.015 -18.711 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.180 4.767 -17.370 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.327 3.830 -18.305 1.00 0.00 H new ATOM 1201 N LEU A 98 10.797 5.863 -14.243 1.00 0.00 N ATOM 1202 CA LEU A 98 10.564 6.652 -13.033 1.00 0.00 C ATOM 1203 C LEU A 98 10.571 5.730 -11.802 1.00 0.00 C ATOM 1204 O LEU A 98 11.331 5.955 -10.868 1.00 0.00 O ATOM 1205 CB LEU A 98 9.246 7.444 -13.224 1.00 0.00 C ATOM 1206 CG LEU A 98 9.054 8.735 -12.411 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.993 8.497 -10.907 1.00 0.00 C ATOM 1208 CD2 LEU A 98 10.150 9.753 -12.712 1.00 0.00 C ATOM 0 H LEU A 98 9.966 5.777 -14.828 1.00 0.00 H new ATOM 0 HA LEU A 98 11.358 7.378 -12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.160 7.699 -14.280 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.418 6.775 -12.989 1.00 0.00 H new ATOM 0 HG LEU A 98 8.088 9.130 -12.725 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.856 9.449 -10.393 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.157 7.837 -10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.922 8.035 -10.574 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.983 10.653 -12.120 1.00 0.00 H new ATOM 0 HD22 LEU A 98 11.121 9.327 -12.459 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.130 10.007 -13.772 1.00 0.00 H new ATOM 1220 N TYR A 99 9.826 4.625 -11.833 1.00 0.00 N ATOM 1221 CA TYR A 99 9.849 3.593 -10.791 1.00 0.00 C ATOM 1222 C TYR A 99 11.259 3.014 -10.611 1.00 0.00 C ATOM 1223 O TYR A 99 11.720 2.858 -9.480 1.00 0.00 O ATOM 1224 CB TYR A 99 8.849 2.480 -11.142 1.00 0.00 C ATOM 1225 CG TYR A 99 7.362 2.770 -10.941 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.860 4.073 -10.717 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.465 1.683 -10.967 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.483 4.277 -10.501 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.086 1.884 -10.760 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.590 3.185 -10.521 1.00 0.00 C ATOM 1231 OH TYR A 99 3.259 3.395 -10.317 1.00 0.00 O ATOM 0 H TYR A 99 9.179 4.417 -12.593 1.00 0.00 H new ATOM 0 HA TYR A 99 9.559 4.051 -9.845 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.000 2.212 -12.188 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.103 1.602 -10.548 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.536 4.916 -10.712 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.839 0.686 -11.147 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.109 5.274 -10.319 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.408 1.044 -10.784 1.00 0.00 H new ATOM 0 HH TYR A 99 2.782 2.540 -10.363 1.00 0.00 H new ATOM 1241 N ASP A 100 11.978 2.769 -11.710 1.00 0.00 N ATOM 1242 CA ASP A 100 13.367 2.306 -11.666 1.00 0.00 C ATOM 1243 C ASP A 100 14.300 3.326 -10.994 1.00 0.00 C ATOM 1244 O ASP A 100 15.114 2.950 -10.153 1.00 0.00 O ATOM 1245 CB ASP A 100 13.842 1.987 -13.087 1.00 0.00 C ATOM 1246 CG ASP A 100 15.140 1.164 -13.090 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.124 0.002 -12.618 1.00 0.00 O ATOM 1248 OD2 ASP A 100 16.177 1.669 -13.584 1.00 0.00 O ATOM 0 H ASP A 100 11.613 2.886 -12.655 1.00 0.00 H new ATOM 0 HA ASP A 100 13.403 1.403 -11.057 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.063 1.437 -13.615 1.00 0.00 H new ATOM 0 HB3 ASP A 100 14.001 2.917 -13.633 1.00 0.00 H new ATOM 1253 N MET A 101 14.148 4.624 -11.291 1.00 0.00 N ATOM 1254 CA MET A 101 14.909 5.679 -10.600 1.00 0.00 C ATOM 1255 C MET A 101 14.602 5.724 -9.096 1.00 0.00 C ATOM 1256 O MET A 101 15.531 5.784 -8.294 1.00 0.00 O ATOM 1257 CB MET A 101 14.761 7.050 -11.299 1.00 0.00 C ATOM 1258 CG MET A 101 13.714 8.029 -10.740 1.00 0.00 C ATOM 1259 SD MET A 101 14.347 9.295 -9.614 1.00 0.00 S ATOM 1260 CE MET A 101 12.837 10.292 -9.543 1.00 0.00 C ATOM 0 H MET A 101 13.506 4.970 -12.004 1.00 0.00 H new ATOM 0 HA MET A 101 15.965 5.419 -10.676 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.731 7.546 -11.273 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.524 6.868 -12.347 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.224 8.526 -11.578 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.948 7.455 -10.218 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.035 11.282 -9.954 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.053 9.807 -10.125 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.513 10.388 -8.507 1.00 0.00 H new ATOM 1270 N LEU A 102 13.333 5.617 -8.685 1.00 0.00 N ATOM 1271 CA LEU A 102 12.931 5.663 -7.277 1.00 0.00 C ATOM 1272 C LEU A 102 13.585 4.493 -6.527 1.00 0.00 C ATOM 1273 O LEU A 102 14.332 4.720 -5.577 1.00 0.00 O ATOM 1274 CB LEU A 102 11.389 5.636 -7.153 1.00 0.00 C ATOM 1275 CG LEU A 102 10.624 6.839 -7.744 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.128 6.526 -7.786 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.789 8.146 -6.972 1.00 0.00 C ATOM 0 H LEU A 102 12.550 5.495 -9.327 1.00 0.00 H new ATOM 0 HA LEU A 102 13.272 6.595 -6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.025 4.730 -7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.134 5.557 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 102 11.055 6.986 -8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.590 7.377 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.957 5.648 -8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.769 6.330 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.216 8.933 -7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.427 8.015 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.842 8.425 -6.950 1.00 0.00 H new ATOM 1289 N ARG A 103 13.431 3.267 -7.047 1.00 0.00 N ATOM 1290 CA ARG A 103 13.991 2.019 -6.487 1.00 0.00 C ATOM 1291 C ARG A 103 15.527 1.990 -6.396 1.00 0.00 C ATOM 1292 O ARG A 103 16.065 1.191 -5.627 1.00 0.00 O ATOM 1293 CB ARG A 103 13.484 0.831 -7.327 1.00 0.00 C ATOM 1294 CG ARG A 103 11.977 0.576 -7.145 1.00 0.00 C ATOM 1295 CD ARG A 103 11.478 -0.453 -8.167 1.00 0.00 C ATOM 1296 NE ARG A 103 10.021 -0.668 -8.052 1.00 0.00 N ATOM 1297 CZ ARG A 103 9.283 -1.478 -8.791 1.00 0.00 C ATOM 1298 NH1 ARG A 103 9.795 -2.211 -9.741 1.00 0.00 N ATOM 1299 NH2 ARG A 103 8.000 -1.570 -8.590 1.00 0.00 N ATOM 0 H ARG A 103 12.895 3.107 -7.900 1.00 0.00 H new ATOM 0 HA ARG A 103 13.645 1.954 -5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.692 1.021 -8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.036 -0.067 -7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.783 0.217 -6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.427 1.510 -7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.718 -0.113 -9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.999 -1.398 -8.017 1.00 0.00 H new ATOM 0 HE ARG A 103 9.535 -0.137 -7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.796 -2.170 -9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.194 -2.825 -10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.557 -1.015 -7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.437 -2.197 -9.165 1.00 0.00 H new ATOM 1313 N LYS A 104 16.234 2.860 -7.134 1.00 0.00 N ATOM 1314 CA LYS A 104 17.703 3.025 -7.062 1.00 0.00 C ATOM 1315 C LYS A 104 18.139 4.201 -6.182 1.00 0.00 C ATOM 1316 O LYS A 104 19.309 4.274 -5.804 1.00 0.00 O ATOM 1317 CB LYS A 104 18.288 3.144 -8.481 1.00 0.00 C ATOM 1318 CG LYS A 104 18.147 1.829 -9.271 1.00 0.00 C ATOM 1319 CD LYS A 104 18.756 1.874 -10.682 1.00 0.00 C ATOM 1320 CE LYS A 104 18.316 3.105 -11.490 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.555 2.924 -12.946 1.00 0.00 N ATOM 0 H LYS A 104 15.796 3.483 -7.813 1.00 0.00 H new ATOM 0 HA LYS A 104 18.102 2.133 -6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.781 3.946 -9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.341 3.419 -8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.623 1.027 -8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.089 1.578 -9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.843 1.869 -10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.472 0.971 -11.223 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.257 3.294 -11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.858 3.983 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.591 3.854 -13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 19.459 2.430 -13.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.783 2.361 -13.357 1.00 0.00 H new ATOM 1335 N ASN A 105 17.222 5.113 -5.843 1.00 0.00 N ATOM 1336 CA ASN A 105 17.504 6.287 -5.011 1.00 0.00 C ATOM 1337 C ASN A 105 17.042 6.061 -3.566 1.00 0.00 C ATOM 1338 O ASN A 105 17.846 5.750 -2.689 1.00 0.00 O ATOM 1339 CB ASN A 105 16.871 7.536 -5.661 1.00 0.00 C ATOM 1340 CG ASN A 105 17.748 8.112 -6.756 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.578 8.978 -6.542 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.587 7.614 -7.949 1.00 0.00 N ATOM 0 H ASN A 105 16.249 5.055 -6.143 1.00 0.00 H new ATOM 0 HA ASN A 105 18.580 6.452 -4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.897 7.275 -6.076 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.699 8.295 -4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.161 7.949 -8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.887 6.890 -8.109 1.00 0.00 H new ATOM 1349 N LEU A 106 15.742 6.237 -3.334 1.00 0.00 N ATOM 1350 CA LEU A 106 15.125 6.113 -2.005 1.00 0.00 C ATOM 1351 C LEU A 106 14.864 4.652 -1.594 1.00 0.00 C ATOM 1352 O LEU A 106 14.873 3.735 -2.415 1.00 0.00 O ATOM 1353 CB LEU A 106 13.923 7.077 -1.822 1.00 0.00 C ATOM 1354 CG LEU A 106 12.654 6.972 -2.692 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.880 7.537 -4.081 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.074 5.565 -2.802 1.00 0.00 C ATOM 0 H LEU A 106 15.076 6.473 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 106 15.861 6.454 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.602 6.986 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.309 8.089 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 106 11.915 7.573 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.964 7.445 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.159 8.588 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.680 6.984 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.185 5.586 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.816 4.899 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.807 5.203 -1.809 1.00 0.00 H new ATOM 1368 N VAL A 107 14.630 4.440 -0.295 1.00 0.00 N ATOM 1369 CA VAL A 107 14.531 3.100 0.332 1.00 0.00 C ATOM 1370 C VAL A 107 13.170 2.408 0.165 1.00 0.00 C ATOM 1371 O VAL A 107 12.560 1.943 1.129 1.00 0.00 O ATOM 1372 CB VAL A 107 15.023 3.076 1.791 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.529 3.354 1.855 1.00 0.00 C ATOM 1374 CG2 VAL A 107 14.295 4.071 2.707 1.00 0.00 C ATOM 0 H VAL A 107 14.500 5.203 0.370 1.00 0.00 H new ATOM 0 HA VAL A 107 15.226 2.491 -0.246 1.00 0.00 H new ATOM 0 HB VAL A 107 14.799 2.074 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 107 16.859 3.333 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 107 17.064 2.592 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 107 16.736 4.335 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 107 14.696 3.996 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.442 5.084 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.230 3.840 2.721 1.00 0.00 H new ATOM 1384 N THR A 108 12.691 2.329 -1.077 1.00 0.00 N ATOM 1385 CA THR A 108 11.529 1.505 -1.461 1.00 0.00 C ATOM 1386 C THR A 108 10.270 1.783 -0.620 1.00 0.00 C ATOM 1387 O THR A 108 9.690 0.891 0.004 1.00 0.00 O ATOM 1388 CB THR A 108 11.936 0.017 -1.471 1.00 0.00 C ATOM 1389 OG1 THR A 108 13.138 -0.146 -2.205 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.906 -0.885 -2.177 1.00 0.00 C ATOM 0 H THR A 108 13.100 2.840 -1.860 1.00 0.00 H new ATOM 0 HA THR A 108 11.234 1.790 -2.471 1.00 0.00 H new ATOM 0 HB THR A 108 12.028 -0.268 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 108 13.394 -1.092 -2.208 1.00 0.00 H new ATOM 0 HG21 THR A 108 11.249 -1.919 -2.151 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.946 -0.809 -1.667 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.793 -0.566 -3.213 1.00 0.00 H new ATOM 1398 N LEU A 109 9.847 3.051 -0.573 1.00 0.00 N ATOM 1399 CA LEU A 109 8.542 3.418 -0.013 1.00 0.00 C ATOM 1400 C LEU A 109 7.467 3.286 -1.101 1.00 0.00 C ATOM 1401 O LEU A 109 7.689 3.652 -2.257 1.00 0.00 O ATOM 1402 CB LEU A 109 8.564 4.826 0.603 1.00 0.00 C ATOM 1403 CG LEU A 109 9.424 5.000 1.865 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.147 6.384 2.447 1.00 0.00 C ATOM 1405 CD2 LEU A 109 9.124 3.975 2.959 1.00 0.00 C ATOM 0 H LEU A 109 10.391 3.842 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 109 8.302 2.734 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.920 5.526 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.540 5.111 0.844 1.00 0.00 H new ATOM 0 HG LEU A 109 10.462 4.864 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.748 6.528 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.404 7.146 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.090 6.467 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.769 4.160 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.081 4.062 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.308 2.971 2.577 1.00 0.00 H new ATOM 1417 N ALA A 110 6.305 2.759 -0.719 1.00 0.00 N ATOM 1418 CA ALA A 110 5.213 2.406 -1.625 1.00 0.00 C ATOM 1419 C ALA A 110 3.845 2.761 -1.008 1.00 0.00 C ATOM 1420 O ALA A 110 3.676 2.731 0.215 1.00 0.00 O ATOM 1421 CB ALA A 110 5.359 0.915 -1.967 1.00 0.00 C ATOM 0 H ALA A 110 6.091 2.560 0.258 1.00 0.00 H new ATOM 0 HA ALA A 110 5.265 2.983 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.558 0.617 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.322 0.745 -2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.300 0.325 -1.053 1.00 0.00 H new ATOM 1427 N THR A 111 2.877 3.134 -1.851 1.00 0.00 N ATOM 1428 CA THR A 111 1.559 3.654 -1.431 1.00 0.00 C ATOM 1429 C THR A 111 0.431 3.295 -2.407 1.00 0.00 C ATOM 1430 O THR A 111 0.672 2.945 -3.573 1.00 0.00 O ATOM 1431 CB THR A 111 1.621 5.177 -1.208 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.376 5.613 -0.700 1.00 0.00 O ATOM 1433 CG2 THR A 111 1.927 5.990 -2.472 1.00 0.00 C ATOM 0 H THR A 111 2.983 3.085 -2.864 1.00 0.00 H new ATOM 0 HA THR A 111 1.319 3.164 -0.487 1.00 0.00 H new ATOM 0 HB THR A 111 2.443 5.348 -0.513 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.404 6.581 -0.552 1.00 0.00 H new ATOM 0 HG21 THR A 111 1.952 7.051 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.894 5.688 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.152 5.809 -3.217 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.542 11.922 -10.720 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.682 12.759 -10.354 1.00 0.00 C HETATM 1444 CG2 48L A 200 1.063 10.647 -9.180 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.855 13.098 -12.815 1.00 0.00 C HETATM 1446 CD1 48L A 200 2.881 12.232 -11.636 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.787 12.961 -9.528 1.00 0.00 C HETATM 1448 CD3 48L A 200 1.306 9.679 -10.158 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.511 10.412 -7.875 1.00 0.00 C HETATM 1450 CD5 48L A 200 -1.970 12.335 -13.187 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.255 13.919 -13.787 1.00 0.00 C HETATM 1452 CE1 48L A 200 4.167 11.915 -12.078 1.00 0.00 C HETATM 1453 CE2 48L A 200 5.069 12.652 -9.970 1.00 0.00 C HETATM 1454 CE3 48L A 200 2.172 9.229 -7.550 1.00 0.00 C HETATM 1455 CE4 48L A 200 1.992 8.509 -9.838 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.538 12.470 -14.451 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.849 14.073 -15.040 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.260 12.131 -11.244 1.00 0.00 C HETATM 1459 CZ2 48L A 200 2.417 8.272 -8.534 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -1.997 13.363 -15.364 1.00 0.00 C HETATM 1461 CL 48L A 200 6.862 11.763 -11.778 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -2.987 14.796 -17.080 1.00 0.00 C HETATM 1463 CM2 48L A 200 2.393 13.590 -15.342 1.00 0.00 C HETATM 1464 CM3 48L A 200 3.189 15.388 -13.756 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.361 18.392 -11.784 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.529 18.015 -11.244 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.299 19.489 -12.305 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.757 16.710 -10.619 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.415 16.031 -11.236 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.838 15.621 -11.199 1.00 0.00 C HETATM 1471 N3 48L A 200 0.531 13.916 -10.813 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.583 13.491 -16.601 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.178 17.429 -11.710 1.00 0.00 C HETATM 1474 C5 48L A 200 0.638 15.265 -10.830 1.00 0.00 C HETATM 1475 O5 48L A 200 1.658 15.806 -10.443 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.370 12.992 -11.403 1.00 0.00 C HETATM 1477 O6 48L A 200 0.978 14.492 -13.539 1.00 0.00 O HETATM 1478 C7 48L A 200 0.346 11.954 -9.522 1.00 0.00 C HETATM 1479 C8 48L A 200 1.294 13.146 -9.833 1.00 0.00 C HETATM 1480 C9 48L A 200 1.978 14.836 -14.530 1.00 0.00 C HETATM 1481 BR 48L A 200 2.358 7.233 -11.196 1.00 0.00 BR HETATM 1482 F 48L A 200 1.314 11.330 -6.911 1.00 0.00 F