USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 972 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 113 THR OG1 : rot -26:sc= 0.166 USER MOD Set 1.2: A 116 GLN : amide:sc= 0.00631 X(o=0.17,f=0.0011) USER MOD Set 2.1: A 92 GLN : amide:sc= -0.791 K(o=-1.8,f=-3.9!) USER MOD Set 2.2: A 103 GLN : amide:sc= -1.04 K(o=-1.8,f=-3.9) USER MOD Set 3.1: A 37 HIS : no HE2:sc= 0.295 K(o=0.29,f=-0.91) USER MOD Set 3.2: A 39 THR OG1 : rot 160:sc= 0 USER MOD Set 4.1: A 30 ASN : amide:sc= -2.93! X(o=-3.4!,f=-3.5) USER MOD Set 4.2: A 38 THR OG1 : rot 125:sc=-0.00292 USER MOD Set 4.3: A 53 HIS : no HD1:sc= -0.438 X(o=-3.4,f=-3.2) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.132 (180deg=-0.44) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.212 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 96:sc= 0.11 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 11 GLN : amide:sc= 0.317 K(o=0.32,f=-4.9!) USER MOD Single : A 21 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.1) USER MOD Single : A 25 CYS SG : rot -44:sc= 1.24 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 23:sc= 0.0507 USER MOD Single : A 52 CYS SG : rot -18:sc= -0.335 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 55 MET CE :methyl -144:sc= -0.129 (180deg=-0.555) USER MOD Single : A 58 LYS NZ :NH3+ 151:sc= -1.15 (180deg=-2.43!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.088 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00101 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00499 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 70:sc= 0.452 USER MOD Single : A 83 MET CE :methyl -140:sc= -0.11 (180deg=-0.501) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0.987 K(o=0.99,f=-6.6!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 122 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.6) USER MOD Single : A 127 ASN : amide:sc=-0.00526 K(o=-0.0053,f=-2.6!) USER MOD Single : A 129 LYS NZ :NH3+ -136:sc= 1.73 (180deg=-3.27!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.787 16.406 3.616 1.00 0.00 N ATOM 2 CA MET A 1 5.848 16.011 4.697 1.00 0.00 C ATOM 3 C MET A 1 5.417 14.556 4.495 1.00 0.00 C ATOM 4 O MET A 1 4.589 14.284 3.638 1.00 0.00 O ATOM 5 CB MET A 1 4.601 16.941 4.721 1.00 0.00 C ATOM 6 CG MET A 1 3.557 16.579 5.791 1.00 0.00 C ATOM 7 SD MET A 1 2.088 17.622 5.718 1.00 0.00 S ATOM 8 CE MET A 1 1.186 17.065 7.158 1.00 0.00 C ATOM 0 H1 MET A 1 6.555 17.365 3.288 1.00 0.00 H new ATOM 0 H2 MET A 1 7.761 16.391 3.980 1.00 0.00 H new ATOM 0 H3 MET A 1 6.704 15.739 2.823 1.00 0.00 H new ATOM 0 HA MET A 1 6.359 16.109 5.655 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.931 17.967 4.886 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.124 16.913 3.741 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.263 15.537 5.667 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.010 16.667 6.778 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.166 17.446 7.118 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.166 15.975 7.176 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.676 17.434 8.059 1.00 0.00 H new ATOM 20 N LYS A 2 5.967 13.625 5.283 1.00 0.00 N ATOM 21 CA LYS A 2 5.618 12.196 5.180 1.00 0.00 C ATOM 22 C LYS A 2 4.745 11.780 6.366 1.00 0.00 C ATOM 23 O LYS A 2 5.212 11.759 7.509 1.00 0.00 O ATOM 24 CB LYS A 2 6.876 11.310 5.109 1.00 0.00 C ATOM 25 CG LYS A 2 7.751 11.566 3.875 1.00 0.00 C ATOM 26 CD LYS A 2 8.978 10.639 3.813 1.00 0.00 C ATOM 27 CE LYS A 2 9.853 10.938 2.591 1.00 0.00 C ATOM 28 NZ LYS A 2 11.056 10.089 2.553 1.00 0.00 N ATOM 0 H LYS A 2 6.659 13.833 6.003 1.00 0.00 H new ATOM 0 HA LYS A 2 5.059 12.055 4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.474 11.473 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.572 10.263 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.152 11.429 2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.085 12.604 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.569 10.756 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.648 9.601 3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.271 10.784 1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.150 11.987 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.620 10.323 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.625 10.254 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.774 9.089 2.513 1.00 0.00 H new ATOM 42 N ILE A 3 3.473 11.481 6.090 1.00 0.00 N ATOM 43 CA ILE A 3 2.553 10.916 7.076 1.00 0.00 C ATOM 44 C ILE A 3 2.633 9.388 7.007 1.00 0.00 C ATOM 45 O ILE A 3 2.473 8.803 5.933 1.00 0.00 O ATOM 46 CB ILE A 3 1.071 11.368 6.827 1.00 0.00 C ATOM 47 CG1 ILE A 3 0.968 12.925 6.771 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.119 10.778 7.913 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.416 13.440 6.440 1.00 0.00 C ATOM 0 H ILE A 3 3.052 11.625 5.172 1.00 0.00 H new ATOM 0 HA ILE A 3 2.848 11.278 8.061 1.00 0.00 H new ATOM 0 HB ILE A 3 0.754 10.977 5.860 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.276 13.334 7.733 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.671 13.299 6.026 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.902 11.106 7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.163 9.689 7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.430 11.126 8.898 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.404 14.530 6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.721 13.063 5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.122 13.099 7.197 1.00 0.00 H new ATOM 61 N SER A 4 2.896 8.751 8.144 1.00 0.00 N ATOM 62 CA SER A 4 2.894 7.296 8.262 1.00 0.00 C ATOM 63 C SER A 4 1.589 6.837 8.930 1.00 0.00 C ATOM 64 O SER A 4 0.961 7.584 9.696 1.00 0.00 O ATOM 65 CB SER A 4 4.127 6.848 9.061 1.00 0.00 C ATOM 66 OG SER A 4 4.157 7.464 10.334 1.00 0.00 O ATOM 0 H SER A 4 3.118 9.233 9.015 1.00 0.00 H new ATOM 0 HA SER A 4 2.945 6.837 7.275 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.115 5.764 9.178 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.033 7.100 8.510 1.00 0.00 H new ATOM 0 HG SER A 4 3.767 6.859 10.999 1.00 0.00 H new ATOM 72 N ILE A 5 1.179 5.621 8.594 1.00 0.00 N ATOM 73 CA ILE A 5 0.031 4.933 9.190 1.00 0.00 C ATOM 74 C ILE A 5 0.490 3.530 9.608 1.00 0.00 C ATOM 75 O ILE A 5 1.227 2.878 8.871 1.00 0.00 O ATOM 76 CB ILE A 5 -1.180 4.835 8.182 1.00 0.00 C ATOM 77 CG1 ILE A 5 -0.707 4.214 6.827 1.00 0.00 C ATOM 78 CG2 ILE A 5 -1.833 6.223 7.953 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.781 4.020 5.793 1.00 0.00 C ATOM 0 H ILE A 5 1.647 5.066 7.878 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.321 5.499 10.053 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.936 4.183 8.620 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.068 4.854 6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.246 3.248 7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.664 6.123 7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.202 6.613 8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.093 6.910 7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.346 3.584 4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.548 3.352 6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.229 4.983 5.549 1.00 0.00 H new ATOM 91 N GLU A 6 0.069 3.069 10.792 1.00 0.00 N ATOM 92 CA GLU A 6 0.533 1.787 11.367 1.00 0.00 C ATOM 93 C GLU A 6 -0.661 0.847 11.579 1.00 0.00 C ATOM 94 O GLU A 6 -1.782 1.314 11.790 1.00 0.00 O ATOM 95 CB GLU A 6 1.293 1.999 12.707 1.00 0.00 C ATOM 96 CG GLU A 6 2.617 2.795 12.627 1.00 0.00 C ATOM 97 CD GLU A 6 2.425 4.309 12.499 1.00 0.00 C ATOM 98 OE1 GLU A 6 1.856 4.919 13.432 1.00 0.00 O ATOM 99 OE2 GLU A 6 2.826 4.903 11.479 1.00 0.00 O ATOM 0 H GLU A 6 -0.599 3.566 11.381 1.00 0.00 H new ATOM 0 HA GLU A 6 1.230 1.336 10.661 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.627 2.512 13.400 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.508 1.021 13.137 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.208 2.588 13.519 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.193 2.438 11.773 1.00 0.00 H new ATOM 106 N ALA A 7 -0.409 -0.471 11.513 1.00 0.00 N ATOM 107 CA ALA A 7 -1.439 -1.509 11.675 1.00 0.00 C ATOM 108 C ALA A 7 -0.798 -2.814 12.155 1.00 0.00 C ATOM 109 O ALA A 7 0.167 -3.277 11.557 1.00 0.00 O ATOM 110 CB ALA A 7 -2.185 -1.736 10.346 1.00 0.00 C ATOM 0 H ALA A 7 0.523 -0.848 11.344 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.159 -1.175 12.423 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.944 -2.507 10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.663 -0.807 10.034 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.477 -2.055 9.581 1.00 0.00 H new ATOM 116 N HIS A 8 -1.346 -3.413 13.221 1.00 0.00 N ATOM 117 CA HIS A 8 -0.838 -4.680 13.766 1.00 0.00 C ATOM 118 C HIS A 8 -1.531 -5.859 13.075 1.00 0.00 C ATOM 119 O HIS A 8 -2.513 -6.390 13.591 1.00 0.00 O ATOM 120 CB HIS A 8 -1.060 -4.751 15.298 1.00 0.00 C ATOM 121 CG HIS A 8 -0.173 -3.841 16.094 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.603 -2.680 16.700 1.00 0.00 N ATOM 123 CD2 HIS A 8 1.127 -3.961 16.408 1.00 0.00 C ATOM 124 CE1 HIS A 8 0.404 -2.132 17.352 1.00 0.00 C ATOM 125 NE2 HIS A 8 1.466 -2.892 17.190 1.00 0.00 N ATOM 0 H HIS A 8 -2.148 -3.037 13.727 1.00 0.00 H new ATOM 0 HA HIS A 8 0.234 -4.733 13.576 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.100 -4.506 15.514 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.899 -5.777 15.629 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.786 -4.759 16.098 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.364 -1.215 17.922 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.390 -2.713 17.583 1.00 0.00 H new ATOM 134 N ILE A 9 -1.033 -6.240 11.885 1.00 0.00 N ATOM 135 CA ILE A 9 -1.547 -7.403 11.142 1.00 0.00 C ATOM 136 C ILE A 9 -1.048 -8.685 11.824 1.00 0.00 C ATOM 137 O ILE A 9 0.155 -8.913 11.902 1.00 0.00 O ATOM 138 CB ILE A 9 -1.119 -7.382 9.631 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.563 -6.037 8.965 1.00 0.00 C ATOM 140 CG2 ILE A 9 -1.709 -8.608 8.881 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.317 -5.936 7.477 1.00 0.00 C ATOM 0 H ILE A 9 -0.269 -5.754 11.415 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.636 -7.366 11.157 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.033 -7.448 9.569 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.628 -5.894 9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.041 -5.217 9.459 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.402 -8.577 7.836 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.342 -9.526 9.340 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.797 -8.582 8.941 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.660 -4.966 7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.251 -6.041 7.277 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.862 -6.728 6.963 1.00 0.00 H new ATOM 153 N GLU A 10 -1.986 -9.507 12.308 1.00 0.00 N ATOM 154 CA GLU A 10 -1.688 -10.666 13.158 1.00 0.00 C ATOM 155 C GLU A 10 -1.462 -11.898 12.268 1.00 0.00 C ATOM 156 O GLU A 10 -2.285 -12.814 12.188 1.00 0.00 O ATOM 157 CB GLU A 10 -2.844 -10.845 14.168 1.00 0.00 C ATOM 158 CG GLU A 10 -3.125 -9.590 15.020 1.00 0.00 C ATOM 159 CD GLU A 10 -4.489 -9.629 15.721 1.00 0.00 C ATOM 160 OE1 GLU A 10 -4.607 -10.259 16.786 1.00 0.00 O ATOM 161 OE2 GLU A 10 -5.455 -9.029 15.197 1.00 0.00 O ATOM 0 H GLU A 10 -2.981 -9.386 12.119 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.773 -10.520 13.732 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.750 -11.115 13.625 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.609 -11.678 14.831 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.341 -9.485 15.770 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.076 -8.707 14.382 1.00 0.00 H new ATOM 168 N GLN A 11 -0.320 -11.867 11.584 1.00 0.00 N ATOM 169 CA GLN A 11 0.077 -12.853 10.586 1.00 0.00 C ATOM 170 C GLN A 11 1.594 -12.761 10.402 1.00 0.00 C ATOM 171 O GLN A 11 2.193 -11.749 10.755 1.00 0.00 O ATOM 172 CB GLN A 11 -0.687 -12.577 9.259 1.00 0.00 C ATOM 173 CG GLN A 11 -0.394 -13.527 8.081 1.00 0.00 C ATOM 174 CD GLN A 11 -0.720 -14.998 8.358 1.00 0.00 C ATOM 175 OE1 GLN A 11 0.134 -15.755 8.821 1.00 0.00 O ATOM 176 NE2 GLN A 11 -1.949 -15.407 8.090 1.00 0.00 N ATOM 0 H GLN A 11 0.375 -11.132 11.714 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.175 -13.864 10.905 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.756 -12.614 9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.459 -11.560 8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.966 -13.198 7.214 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.660 -13.445 7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.632 -14.753 7.707 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.214 -16.376 8.266 1.00 0.00 H new ATOM 185 N GLU A 12 2.204 -13.825 9.883 1.00 0.00 N ATOM 186 CA GLU A 12 3.654 -13.909 9.664 1.00 0.00 C ATOM 187 C GLU A 12 4.097 -12.870 8.627 1.00 0.00 C ATOM 188 O GLU A 12 3.428 -12.723 7.613 1.00 0.00 O ATOM 189 CB GLU A 12 4.007 -15.344 9.201 1.00 0.00 C ATOM 190 CG GLU A 12 3.389 -16.459 10.067 1.00 0.00 C ATOM 191 CD GLU A 12 3.793 -16.408 11.554 1.00 0.00 C ATOM 192 OE1 GLU A 12 3.199 -15.625 12.325 1.00 0.00 O ATOM 193 OE2 GLU A 12 4.693 -17.169 11.967 1.00 0.00 O ATOM 0 H GLU A 12 1.702 -14.666 9.598 1.00 0.00 H new ATOM 0 HA GLU A 12 4.183 -13.693 10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.674 -15.473 8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.091 -15.457 9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.303 -16.398 9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.681 -17.425 9.656 1.00 0.00 H new ATOM 200 N ILE A 13 5.224 -12.173 8.892 1.00 0.00 N ATOM 201 CA ILE A 13 5.737 -11.057 8.045 1.00 0.00 C ATOM 202 C ILE A 13 5.927 -11.502 6.578 1.00 0.00 C ATOM 203 O ILE A 13 5.718 -10.717 5.653 1.00 0.00 O ATOM 204 CB ILE A 13 7.090 -10.489 8.630 1.00 0.00 C ATOM 205 CG1 ILE A 13 7.584 -9.235 7.832 1.00 0.00 C ATOM 206 CG2 ILE A 13 8.186 -11.585 8.678 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.862 -8.611 8.362 1.00 0.00 C ATOM 0 H ILE A 13 5.812 -12.365 9.703 1.00 0.00 H new ATOM 0 HA ILE A 13 4.991 -10.263 8.059 1.00 0.00 H new ATOM 0 HB ILE A 13 6.890 -10.169 9.653 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.739 -9.521 6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.796 -8.482 7.841 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.105 -11.163 9.085 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.852 -12.406 9.312 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.373 -11.957 7.671 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.128 -7.750 7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.710 -8.289 9.392 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.667 -9.345 8.326 1.00 0.00 H new ATOM 219 N GLU A 14 6.277 -12.789 6.400 1.00 0.00 N ATOM 220 CA GLU A 14 6.473 -13.405 5.083 1.00 0.00 C ATOM 221 C GLU A 14 5.124 -13.561 4.356 1.00 0.00 C ATOM 222 O GLU A 14 5.030 -13.293 3.154 1.00 0.00 O ATOM 223 CB GLU A 14 7.197 -14.767 5.252 1.00 0.00 C ATOM 224 CG GLU A 14 8.595 -14.641 5.895 1.00 0.00 C ATOM 225 CD GLU A 14 9.290 -15.990 6.140 1.00 0.00 C ATOM 226 OE1 GLU A 14 9.878 -16.549 5.190 1.00 0.00 O ATOM 227 OE2 GLU A 14 9.250 -16.506 7.279 1.00 0.00 O ATOM 0 H GLU A 14 6.432 -13.433 7.176 1.00 0.00 H new ATOM 0 HA GLU A 14 7.099 -12.760 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.581 -15.424 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.295 -15.242 4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.227 -14.029 5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.502 -14.113 6.844 1.00 0.00 H new ATOM 234 N ALA A 15 4.080 -13.952 5.109 1.00 0.00 N ATOM 235 CA ALA A 15 2.713 -14.102 4.558 1.00 0.00 C ATOM 236 C ALA A 15 2.079 -12.744 4.230 1.00 0.00 C ATOM 237 O ALA A 15 1.368 -12.609 3.234 1.00 0.00 O ATOM 238 CB ALA A 15 1.818 -14.915 5.505 1.00 0.00 C ATOM 0 H ALA A 15 4.153 -14.171 6.103 1.00 0.00 H new ATOM 0 HA ALA A 15 2.801 -14.654 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.821 -15.008 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.246 -15.907 5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.751 -14.407 6.467 1.00 0.00 H new ATOM 244 N VAL A 16 2.357 -11.756 5.080 1.00 0.00 N ATOM 245 CA VAL A 16 1.940 -10.362 4.866 1.00 0.00 C ATOM 246 C VAL A 16 2.654 -9.785 3.623 1.00 0.00 C ATOM 247 O VAL A 16 2.058 -9.027 2.862 1.00 0.00 O ATOM 248 CB VAL A 16 2.239 -9.468 6.133 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.794 -7.993 5.938 1.00 0.00 C ATOM 250 CG2 VAL A 16 1.592 -10.075 7.404 1.00 0.00 C ATOM 0 H VAL A 16 2.881 -11.897 5.944 1.00 0.00 H new ATOM 0 HA VAL A 16 0.863 -10.352 4.701 1.00 0.00 H new ATOM 0 HB VAL A 16 3.321 -9.458 6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.022 -7.422 6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.326 -7.562 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.721 -7.959 5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.812 -9.441 8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.512 -10.139 7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.996 -11.073 7.577 1.00 0.00 H new ATOM 260 N TRP A 17 3.927 -10.204 3.420 1.00 0.00 N ATOM 261 CA TRP A 17 4.753 -9.755 2.286 1.00 0.00 C ATOM 262 C TRP A 17 4.193 -10.248 0.931 1.00 0.00 C ATOM 263 O TRP A 17 4.039 -9.439 0.004 1.00 0.00 O ATOM 264 CB TRP A 17 6.226 -10.205 2.469 1.00 0.00 C ATOM 265 CG TRP A 17 7.167 -9.677 1.403 1.00 0.00 C ATOM 266 CD1 TRP A 17 7.629 -10.342 0.300 1.00 0.00 C ATOM 267 CD2 TRP A 17 7.742 -8.361 1.341 1.00 0.00 C ATOM 268 NE1 TRP A 17 8.431 -9.521 -0.440 1.00 0.00 N ATOM 269 CE2 TRP A 17 8.525 -8.306 0.178 1.00 0.00 C ATOM 270 CE3 TRP A 17 7.668 -7.227 2.152 1.00 0.00 C ATOM 271 CZ2 TRP A 17 9.226 -7.164 -0.195 1.00 0.00 C ATOM 272 CZ3 TRP A 17 8.372 -6.094 1.783 1.00 0.00 C ATOM 273 CH2 TRP A 17 9.140 -6.071 0.615 1.00 0.00 C ATOM 0 H TRP A 17 4.403 -10.860 4.039 1.00 0.00 H new ATOM 0 HA TRP A 17 4.721 -8.666 2.272 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.578 -9.874 3.446 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.266 -11.294 2.468 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.394 -11.366 0.051 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.888 -9.775 -1.316 1.00 0.00 H new ATOM 0 HE3 TRP A 17 7.071 -7.234 3.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.819 -7.144 -1.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.327 -5.214 2.407 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.675 -5.171 0.350 1.00 0.00 H new ATOM 284 N TRP A 18 3.898 -11.569 0.795 1.00 0.00 N ATOM 285 CA TRP A 18 3.356 -12.098 -0.482 1.00 0.00 C ATOM 286 C TRP A 18 1.903 -11.655 -0.687 1.00 0.00 C ATOM 287 O TRP A 18 1.446 -11.579 -1.816 1.00 0.00 O ATOM 288 CB TRP A 18 3.519 -13.642 -0.660 1.00 0.00 C ATOM 289 CG TRP A 18 2.885 -14.555 0.363 1.00 0.00 C ATOM 290 CD1 TRP A 18 3.560 -15.286 1.282 1.00 0.00 C ATOM 291 CD2 TRP A 18 1.487 -14.895 0.541 1.00 0.00 C ATOM 292 NE1 TRP A 18 2.697 -16.022 2.038 1.00 0.00 N ATOM 293 CE2 TRP A 18 1.422 -15.794 1.610 1.00 0.00 C ATOM 294 CE3 TRP A 18 0.292 -14.512 -0.081 1.00 0.00 C ATOM 295 CZ2 TRP A 18 0.230 -16.321 2.076 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -0.897 -15.033 0.387 1.00 0.00 C ATOM 297 CH2 TRP A 18 -0.921 -15.930 1.459 1.00 0.00 C ATOM 0 H TRP A 18 4.022 -12.266 1.529 1.00 0.00 H new ATOM 0 HA TRP A 18 3.970 -11.658 -1.268 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.116 -13.908 -1.637 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.586 -13.862 -0.685 1.00 0.00 H new ATOM 0 HD1 TRP A 18 4.634 -15.286 1.400 1.00 0.00 H new ATOM 0 HE1 TRP A 18 2.962 -16.644 2.802 1.00 0.00 H new ATOM 0 HE3 TRP A 18 0.301 -13.822 -0.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.212 -17.018 2.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.825 -14.743 -0.083 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.867 -16.320 1.804 1.00 0.00 H new ATOM 308 N ALA A 19 1.183 -11.388 0.420 1.00 0.00 N ATOM 309 CA ALA A 19 -0.187 -10.826 0.372 1.00 0.00 C ATOM 310 C ALA A 19 -0.161 -9.342 -0.037 1.00 0.00 C ATOM 311 O ALA A 19 -1.137 -8.826 -0.592 1.00 0.00 O ATOM 312 CB ALA A 19 -0.898 -11.024 1.721 1.00 0.00 C ATOM 0 H ALA A 19 1.528 -11.553 1.366 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.753 -11.364 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.903 -10.605 1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.960 -12.089 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.336 -10.519 2.506 1.00 0.00 H new ATOM 318 N TRP A 20 0.969 -8.663 0.250 1.00 0.00 N ATOM 319 CA TRP A 20 1.204 -7.274 -0.185 1.00 0.00 C ATOM 320 C TRP A 20 1.627 -7.256 -1.674 1.00 0.00 C ATOM 321 O TRP A 20 1.376 -6.280 -2.382 1.00 0.00 O ATOM 322 CB TRP A 20 2.292 -6.603 0.707 1.00 0.00 C ATOM 323 CG TRP A 20 2.373 -5.094 0.552 1.00 0.00 C ATOM 324 CD1 TRP A 20 3.021 -4.384 -0.430 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.772 -4.115 1.409 1.00 0.00 C ATOM 326 NE1 TRP A 20 2.819 -3.040 -0.249 1.00 0.00 N ATOM 327 CE2 TRP A 20 2.064 -2.852 0.877 1.00 0.00 C ATOM 328 CE3 TRP A 20 1.008 -4.190 2.570 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.613 -1.678 1.466 1.00 0.00 C ATOM 330 CZ3 TRP A 20 0.563 -3.025 3.159 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.865 -1.780 2.606 1.00 0.00 C ATOM 0 H TRP A 20 1.739 -9.061 0.787 1.00 0.00 H new ATOM 0 HA TRP A 20 0.280 -6.705 -0.077 1.00 0.00 H new ATOM 0 HB2 TRP A 20 2.088 -6.840 1.751 1.00 0.00 H new ATOM 0 HB3 TRP A 20 3.263 -7.036 0.465 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.604 -4.821 -1.227 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.174 -2.300 -0.855 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.767 -5.149 3.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 1.846 -0.715 1.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.028 -3.077 4.062 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.502 -0.883 3.086 1.00 0.00 H new ATOM 342 N ASN A 21 2.286 -8.343 -2.118 1.00 0.00 N ATOM 343 CA ASN A 21 2.723 -8.514 -3.521 1.00 0.00 C ATOM 344 C ASN A 21 1.517 -8.936 -4.386 1.00 0.00 C ATOM 345 O ASN A 21 1.395 -8.505 -5.537 1.00 0.00 O ATOM 346 CB ASN A 21 3.841 -9.600 -3.585 1.00 0.00 C ATOM 347 CG ASN A 21 4.628 -9.735 -4.924 1.00 0.00 C ATOM 348 OD1 ASN A 21 5.808 -10.061 -4.901 1.00 0.00 O ATOM 349 ND2 ASN A 21 4.022 -9.543 -6.092 1.00 0.00 N ATOM 0 H ASN A 21 2.532 -9.129 -1.516 1.00 0.00 H new ATOM 0 HA ASN A 21 3.120 -7.573 -3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.559 -9.393 -2.791 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.387 -10.565 -3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.540 -9.667 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.039 -9.271 -6.118 1.00 0.00 H new ATOM 356 N ASP A 22 0.628 -9.754 -3.786 1.00 0.00 N ATOM 357 CA ASP A 22 -0.457 -10.465 -4.500 1.00 0.00 C ATOM 358 C ASP A 22 -1.432 -9.478 -5.166 1.00 0.00 C ATOM 359 O ASP A 22 -2.199 -8.828 -4.462 1.00 0.00 O ATOM 360 CB ASP A 22 -1.227 -11.419 -3.535 1.00 0.00 C ATOM 361 CG ASP A 22 -2.339 -12.239 -4.224 1.00 0.00 C ATOM 362 OD1 ASP A 22 -2.040 -12.962 -5.187 1.00 0.00 O ATOM 363 OD2 ASP A 22 -3.506 -12.159 -3.810 1.00 0.00 O ATOM 0 H ASP A 22 0.642 -9.942 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 22 0.006 -11.064 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.516 -12.104 -3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.668 -10.829 -2.732 1.00 0.00 H new ATOM 368 N PRO A 23 -1.418 -9.361 -6.544 1.00 0.00 N ATOM 369 CA PRO A 23 -2.251 -8.383 -7.283 1.00 0.00 C ATOM 370 C PRO A 23 -3.759 -8.605 -7.072 1.00 0.00 C ATOM 371 O PRO A 23 -4.535 -7.659 -7.169 1.00 0.00 O ATOM 372 CB PRO A 23 -1.843 -8.590 -8.773 1.00 0.00 C ATOM 373 CG PRO A 23 -0.518 -9.284 -8.713 1.00 0.00 C ATOM 374 CD PRO A 23 -0.581 -10.160 -7.485 1.00 0.00 C ATOM 0 HA PRO A 23 -2.081 -7.364 -6.935 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.581 -9.191 -9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.768 -7.638 -9.299 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.344 -9.877 -9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.299 -8.566 -8.642 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.032 -11.128 -7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.411 -10.355 -7.077 1.00 0.00 H new ATOM 382 N ASP A 24 -4.151 -9.868 -6.789 1.00 0.00 N ATOM 383 CA ASP A 24 -5.558 -10.248 -6.509 1.00 0.00 C ATOM 384 C ASP A 24 -6.015 -9.668 -5.155 1.00 0.00 C ATOM 385 O ASP A 24 -7.165 -9.247 -5.001 1.00 0.00 O ATOM 386 CB ASP A 24 -5.690 -11.796 -6.515 1.00 0.00 C ATOM 387 CG ASP A 24 -7.104 -12.306 -6.177 1.00 0.00 C ATOM 388 OD1 ASP A 24 -7.986 -12.280 -7.056 1.00 0.00 O ATOM 389 OD2 ASP A 24 -7.338 -12.721 -5.024 1.00 0.00 O ATOM 0 H ASP A 24 -3.502 -10.654 -6.748 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.201 -9.835 -7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.405 -12.171 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.983 -12.213 -5.798 1.00 0.00 H new ATOM 394 N CYS A 25 -5.087 -9.661 -4.181 1.00 0.00 N ATOM 395 CA CYS A 25 -5.316 -9.065 -2.858 1.00 0.00 C ATOM 396 C CYS A 25 -5.448 -7.540 -3.011 1.00 0.00 C ATOM 397 O CYS A 25 -6.408 -6.938 -2.533 1.00 0.00 O ATOM 398 CB CYS A 25 -4.166 -9.448 -1.895 1.00 0.00 C ATOM 399 SG CYS A 25 -4.458 -9.025 -0.172 1.00 0.00 S ATOM 0 H CYS A 25 -4.159 -10.069 -4.292 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.241 -9.450 -2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.992 -10.522 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.253 -8.954 -2.227 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.952 -7.825 -0.098 1.00 0.00 H new ATOM 405 N ILE A 26 -4.495 -6.961 -3.753 1.00 0.00 N ATOM 406 CA ILE A 26 -4.442 -5.520 -4.083 1.00 0.00 C ATOM 407 C ILE A 26 -5.667 -5.078 -4.929 1.00 0.00 C ATOM 408 O ILE A 26 -6.061 -3.911 -4.909 1.00 0.00 O ATOM 409 CB ILE A 26 -3.104 -5.205 -4.852 1.00 0.00 C ATOM 410 CG1 ILE A 26 -1.869 -5.714 -4.032 1.00 0.00 C ATOM 411 CG2 ILE A 26 -2.966 -3.694 -5.171 1.00 0.00 C ATOM 412 CD1 ILE A 26 -0.560 -5.666 -4.788 1.00 0.00 C ATOM 0 H ILE A 26 -3.719 -7.489 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.471 -4.956 -3.150 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.136 -5.736 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.775 -5.113 -3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.055 -6.740 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.030 -3.518 -5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.802 -3.376 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.969 -3.124 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.243 -6.035 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.631 -6.290 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.347 -4.638 -5.081 1.00 0.00 H new ATOM 424 N ALA A 27 -6.265 -6.023 -5.676 1.00 0.00 N ATOM 425 CA ALA A 27 -7.503 -5.766 -6.437 1.00 0.00 C ATOM 426 C ALA A 27 -8.682 -5.469 -5.483 1.00 0.00 C ATOM 427 O ALA A 27 -9.623 -4.747 -5.844 1.00 0.00 O ATOM 428 CB ALA A 27 -7.824 -6.957 -7.356 1.00 0.00 C ATOM 0 H ALA A 27 -5.910 -6.975 -5.770 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.349 -4.885 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.740 -6.752 -7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.002 -7.108 -8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.958 -7.856 -6.754 1.00 0.00 H new ATOM 434 N ARG A 28 -8.601 -6.025 -4.261 1.00 0.00 N ATOM 435 CA ARG A 28 -9.598 -5.809 -3.206 1.00 0.00 C ATOM 436 C ARG A 28 -9.251 -4.550 -2.367 1.00 0.00 C ATOM 437 O ARG A 28 -10.032 -3.591 -2.357 1.00 0.00 O ATOM 438 CB ARG A 28 -9.710 -7.087 -2.331 1.00 0.00 C ATOM 439 CG ARG A 28 -10.613 -6.965 -1.090 1.00 0.00 C ATOM 440 CD ARG A 28 -10.976 -8.331 -0.469 1.00 0.00 C ATOM 441 NE ARG A 28 -12.001 -9.053 -1.268 1.00 0.00 N ATOM 442 CZ ARG A 28 -11.971 -10.346 -1.627 1.00 0.00 C ATOM 443 NH1 ARG A 28 -10.951 -11.121 -1.289 1.00 0.00 N ATOM 444 NH2 ARG A 28 -12.977 -10.870 -2.319 1.00 0.00 N ATOM 0 H ARG A 28 -7.837 -6.639 -3.980 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.572 -5.622 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.085 -7.900 -2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.710 -7.371 -2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.110 -6.354 -0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.529 -6.442 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.078 -8.944 -0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.347 -8.181 0.545 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.809 -8.511 -1.574 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.175 -10.737 -0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.941 -12.102 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.774 -10.289 -2.579 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.952 -11.853 -2.591 1.00 0.00 H new ATOM 458 N TRP A 29 -8.073 -4.521 -1.698 1.00 0.00 N ATOM 459 CA TRP A 29 -7.630 -3.329 -0.929 1.00 0.00 C ATOM 460 C TRP A 29 -6.806 -2.411 -1.852 1.00 0.00 C ATOM 461 O TRP A 29 -5.765 -2.824 -2.374 1.00 0.00 O ATOM 462 CB TRP A 29 -6.835 -3.727 0.366 1.00 0.00 C ATOM 463 CG TRP A 29 -5.528 -4.472 0.142 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.359 -5.818 0.027 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.211 -3.900 0.021 1.00 0.00 C ATOM 466 NE1 TRP A 29 -4.035 -6.107 -0.203 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.315 -4.952 -0.196 1.00 0.00 C ATOM 468 CE3 TRP A 29 -3.721 -2.598 0.060 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -1.950 -4.747 -0.363 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -2.375 -2.387 -0.106 1.00 0.00 C ATOM 471 CH2 TRP A 29 -1.495 -3.458 -0.319 1.00 0.00 C ATOM 0 H TRP A 29 -7.416 -5.301 -1.674 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.509 -2.785 -0.583 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -6.621 -2.819 0.931 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.481 -4.345 0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.149 -6.551 0.105 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.652 -7.040 -0.355 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.390 -1.765 0.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.274 -5.575 -0.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.987 -1.380 -0.072 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.441 -3.262 -0.450 1.00 0.00 H new ATOM 482 N ASN A 30 -7.292 -1.174 -2.067 1.00 0.00 N ATOM 483 CA ASN A 30 -6.632 -0.203 -2.979 1.00 0.00 C ATOM 484 C ASN A 30 -7.367 1.146 -2.923 1.00 0.00 C ATOM 485 O ASN A 30 -6.738 2.204 -2.857 1.00 0.00 O ATOM 486 CB ASN A 30 -6.619 -0.757 -4.434 1.00 0.00 C ATOM 487 CG ASN A 30 -5.756 0.022 -5.422 1.00 0.00 C ATOM 488 OD1 ASN A 30 -4.778 0.674 -5.052 1.00 0.00 O ATOM 489 ND2 ASN A 30 -6.089 -0.087 -6.701 1.00 0.00 N ATOM 0 H ASN A 30 -8.139 -0.817 -1.625 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.601 -0.055 -2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.271 -1.790 -4.409 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.643 -0.775 -4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.528 0.378 -7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.906 -0.635 -6.970 1.00 0.00 H new ATOM 496 N ALA A 31 -8.716 1.081 -2.961 1.00 0.00 N ATOM 497 CA ALA A 31 -9.596 2.258 -2.819 1.00 0.00 C ATOM 498 C ALA A 31 -10.405 2.122 -1.518 1.00 0.00 C ATOM 499 O ALA A 31 -11.215 1.193 -1.389 1.00 0.00 O ATOM 500 CB ALA A 31 -10.521 2.393 -4.048 1.00 0.00 C ATOM 0 H ALA A 31 -9.225 0.207 -3.092 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.995 3.166 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.163 3.266 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.916 2.510 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.138 1.499 -4.139 1.00 0.00 H new ATOM 506 N ALA A 32 -10.163 3.037 -0.558 1.00 0.00 N ATOM 507 CA ALA A 32 -10.790 3.000 0.781 1.00 0.00 C ATOM 508 C ALA A 32 -12.315 3.224 0.687 1.00 0.00 C ATOM 509 O ALA A 32 -13.100 2.482 1.283 1.00 0.00 O ATOM 510 CB ALA A 32 -10.143 4.044 1.702 1.00 0.00 C ATOM 0 H ALA A 32 -9.527 3.824 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.625 2.011 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.615 4.005 2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.079 3.831 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.276 5.038 1.275 1.00 0.00 H new ATOM 516 N SER A 33 -12.711 4.292 -0.025 1.00 0.00 N ATOM 517 CA SER A 33 -14.121 4.566 -0.347 1.00 0.00 C ATOM 518 C SER A 33 -14.715 3.431 -1.202 1.00 0.00 C ATOM 519 O SER A 33 -14.164 3.086 -2.252 1.00 0.00 O ATOM 520 CB SER A 33 -14.251 5.914 -1.085 1.00 0.00 C ATOM 521 OG SER A 33 -13.712 6.976 -0.317 1.00 0.00 O ATOM 0 H SER A 33 -12.063 4.989 -0.393 1.00 0.00 H new ATOM 0 HA SER A 33 -14.680 4.622 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.735 5.857 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.301 6.114 -1.299 1.00 0.00 H new ATOM 0 HG SER A 33 -13.807 7.817 -0.810 1.00 0.00 H new ATOM 527 N SER A 34 -15.847 2.871 -0.731 1.00 0.00 N ATOM 528 CA SER A 34 -16.570 1.771 -1.406 1.00 0.00 C ATOM 529 C SER A 34 -17.344 2.274 -2.641 1.00 0.00 C ATOM 530 O SER A 34 -17.836 1.467 -3.419 1.00 0.00 O ATOM 531 CB SER A 34 -17.520 1.067 -0.403 1.00 0.00 C ATOM 532 OG SER A 34 -18.450 1.981 0.162 1.00 0.00 O ATOM 0 H SER A 34 -16.291 3.171 0.137 1.00 0.00 H new ATOM 0 HA SER A 34 -15.835 1.048 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.058 0.266 -0.910 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.934 0.604 0.391 1.00 0.00 H new ATOM 0 HG SER A 34 -19.036 1.507 0.788 1.00 0.00 H new ATOM 538 N ASP A 35 -17.446 3.612 -2.801 1.00 0.00 N ATOM 539 CA ASP A 35 -17.939 4.248 -4.051 1.00 0.00 C ATOM 540 C ASP A 35 -16.967 3.987 -5.210 1.00 0.00 C ATOM 541 O ASP A 35 -17.359 3.961 -6.384 1.00 0.00 O ATOM 542 CB ASP A 35 -18.124 5.777 -3.863 1.00 0.00 C ATOM 543 CG ASP A 35 -19.229 6.124 -2.855 1.00 0.00 C ATOM 544 OD1 ASP A 35 -20.419 5.916 -3.172 1.00 0.00 O ATOM 545 OD2 ASP A 35 -18.920 6.613 -1.750 1.00 0.00 O ATOM 0 H ASP A 35 -17.192 4.281 -2.074 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.906 3.805 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.183 6.214 -3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.361 6.231 -4.825 1.00 0.00 H new ATOM 550 N TRP A 36 -15.699 3.752 -4.851 1.00 0.00 N ATOM 551 CA TRP A 36 -14.604 3.540 -5.796 1.00 0.00 C ATOM 552 C TRP A 36 -14.175 2.073 -5.732 1.00 0.00 C ATOM 553 O TRP A 36 -14.558 1.342 -4.806 1.00 0.00 O ATOM 554 CB TRP A 36 -13.416 4.475 -5.452 1.00 0.00 C ATOM 555 CG TRP A 36 -13.764 5.949 -5.528 1.00 0.00 C ATOM 556 CD1 TRP A 36 -14.513 6.669 -4.637 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.377 6.876 -6.548 1.00 0.00 C ATOM 558 NE1 TRP A 36 -14.637 7.962 -5.060 1.00 0.00 N ATOM 559 CE2 TRP A 36 -13.943 8.118 -6.225 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.616 6.768 -7.706 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -13.765 9.247 -7.017 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -12.436 7.883 -8.485 1.00 0.00 C ATOM 563 CH2 TRP A 36 -13.013 9.109 -8.143 1.00 0.00 C ATOM 0 H TRP A 36 -15.403 3.704 -3.876 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.935 3.774 -6.808 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -13.062 4.245 -4.447 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.592 4.269 -6.135 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -14.944 6.272 -3.730 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -15.164 8.693 -4.582 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -12.174 5.823 -7.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -14.206 10.196 -6.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.836 7.812 -9.380 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.859 9.964 -8.785 1.00 0.00 H new ATOM 574 N HIS A 37 -13.377 1.651 -6.712 1.00 0.00 N ATOM 575 CA HIS A 37 -12.896 0.269 -6.814 1.00 0.00 C ATOM 576 C HIS A 37 -11.669 0.222 -7.727 1.00 0.00 C ATOM 577 O HIS A 37 -11.441 1.151 -8.509 1.00 0.00 O ATOM 578 CB HIS A 37 -14.004 -0.661 -7.387 1.00 0.00 C ATOM 579 CG HIS A 37 -14.372 -0.360 -8.823 1.00 0.00 C ATOM 580 ND1 HIS A 37 -13.837 -1.035 -9.897 1.00 0.00 N ATOM 581 CD2 HIS A 37 -15.191 0.579 -9.345 1.00 0.00 C ATOM 582 CE1 HIS A 37 -14.305 -0.520 -11.013 1.00 0.00 C ATOM 583 NE2 HIS A 37 -15.130 0.458 -10.708 1.00 0.00 N ATOM 0 H HIS A 37 -13.043 2.258 -7.461 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.631 -0.081 -5.816 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -13.669 -1.696 -7.317 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.896 -0.572 -6.767 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.180 -1.813 -9.837 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -15.783 1.292 -8.791 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.054 -0.845 -12.012 1.00 0.00 H new ATOM 592 N THR A 38 -10.922 -0.880 -7.650 1.00 0.00 N ATOM 593 CA THR A 38 -9.853 -1.179 -8.601 1.00 0.00 C ATOM 594 C THR A 38 -10.486 -1.675 -9.918 1.00 0.00 C ATOM 595 O THR A 38 -11.251 -2.647 -9.912 1.00 0.00 O ATOM 596 CB THR A 38 -8.903 -2.272 -8.029 1.00 0.00 C ATOM 597 OG1 THR A 38 -8.523 -1.914 -6.690 1.00 0.00 O ATOM 598 CG2 THR A 38 -7.638 -2.447 -8.891 1.00 0.00 C ATOM 0 H THR A 38 -11.042 -1.589 -6.927 1.00 0.00 H new ATOM 0 HA THR A 38 -9.268 -0.277 -8.782 1.00 0.00 H new ATOM 0 HB THR A 38 -9.441 -3.220 -8.034 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.745 -2.648 -6.080 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.004 -3.219 -8.455 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.924 -2.740 -9.901 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.090 -1.506 -8.928 1.00 0.00 H new ATOM 606 N THR A 39 -10.210 -0.980 -11.022 1.00 0.00 N ATOM 607 CA THR A 39 -10.657 -1.388 -12.365 1.00 0.00 C ATOM 608 C THR A 39 -9.612 -2.353 -12.995 1.00 0.00 C ATOM 609 O THR A 39 -9.928 -3.131 -13.907 1.00 0.00 O ATOM 610 CB THR A 39 -10.874 -0.117 -13.258 1.00 0.00 C ATOM 611 OG1 THR A 39 -11.607 0.874 -12.505 1.00 0.00 O ATOM 612 CG2 THR A 39 -11.656 -0.436 -14.543 1.00 0.00 C ATOM 0 H THR A 39 -9.669 -0.115 -11.016 1.00 0.00 H new ATOM 0 HA THR A 39 -11.607 -1.918 -12.294 1.00 0.00 H new ATOM 0 HB THR A 39 -9.890 0.255 -13.544 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.473 1.757 -12.909 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.781 0.475 -15.128 1.00 0.00 H new ATOM 0 HG22 THR A 39 -11.107 -1.172 -15.130 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.635 -0.838 -14.283 1.00 0.00 H new ATOM 620 N GLY A 40 -8.370 -2.271 -12.479 1.00 0.00 N ATOM 621 CA GLY A 40 -7.275 -3.170 -12.855 1.00 0.00 C ATOM 622 C GLY A 40 -5.948 -2.735 -12.225 1.00 0.00 C ATOM 623 O GLY A 40 -5.632 -1.549 -12.228 1.00 0.00 O ATOM 0 H GLY A 40 -8.102 -1.573 -11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.513 -4.186 -12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.175 -3.188 -13.940 1.00 0.00 H new ATOM 627 N SER A 41 -5.166 -3.686 -11.681 1.00 0.00 N ATOM 628 CA SER A 41 -3.895 -3.381 -11.000 1.00 0.00 C ATOM 629 C SER A 41 -2.842 -4.463 -11.295 1.00 0.00 C ATOM 630 O SER A 41 -3.102 -5.662 -11.113 1.00 0.00 O ATOM 631 CB SER A 41 -4.105 -3.205 -9.469 1.00 0.00 C ATOM 632 OG SER A 41 -4.714 -4.349 -8.885 1.00 0.00 O ATOM 0 H SER A 41 -5.395 -4.680 -11.701 1.00 0.00 H new ATOM 0 HA SER A 41 -3.523 -2.434 -11.393 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.144 -3.020 -8.989 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.727 -2.329 -9.286 1.00 0.00 H new ATOM 0 HG SER A 41 -4.549 -5.132 -9.451 1.00 0.00 H new ATOM 638 N ARG A 42 -1.673 -4.025 -11.799 1.00 0.00 N ATOM 639 CA ARG A 42 -0.476 -4.877 -11.934 1.00 0.00 C ATOM 640 C ARG A 42 0.614 -4.309 -11.030 1.00 0.00 C ATOM 641 O ARG A 42 0.920 -3.126 -11.105 1.00 0.00 O ATOM 642 CB ARG A 42 0.044 -4.954 -13.396 1.00 0.00 C ATOM 643 CG ARG A 42 -0.893 -5.674 -14.380 1.00 0.00 C ATOM 644 CD ARG A 42 -0.210 -5.999 -15.728 1.00 0.00 C ATOM 645 NE ARG A 42 0.861 -7.014 -15.584 1.00 0.00 N ATOM 646 CZ ARG A 42 1.920 -7.179 -16.411 1.00 0.00 C ATOM 647 NH1 ARG A 42 2.087 -6.400 -17.474 1.00 0.00 N ATOM 648 NH2 ARG A 42 2.793 -8.146 -16.170 1.00 0.00 N ATOM 0 H ARG A 42 -1.532 -3.069 -12.125 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.744 -5.893 -11.644 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.218 -3.941 -13.758 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.008 -5.463 -13.397 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.248 -6.599 -13.926 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.769 -5.051 -14.562 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.958 -6.360 -16.434 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.211 -5.086 -16.149 1.00 0.00 H new ATOM 0 HE ARG A 42 0.794 -7.647 -14.787 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.411 -5.663 -17.678 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.891 -6.538 -18.086 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.665 -8.760 -15.366 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.593 -8.276 -16.789 1.00 0.00 H new ATOM 662 N VAL A 43 1.167 -5.152 -10.159 1.00 0.00 N ATOM 663 CA VAL A 43 2.261 -4.801 -9.251 1.00 0.00 C ATOM 664 C VAL A 43 3.394 -5.817 -9.463 1.00 0.00 C ATOM 665 O VAL A 43 3.212 -7.018 -9.217 1.00 0.00 O ATOM 666 CB VAL A 43 1.775 -4.781 -7.745 1.00 0.00 C ATOM 667 CG1 VAL A 43 2.958 -4.616 -6.757 1.00 0.00 C ATOM 668 CG2 VAL A 43 0.707 -3.668 -7.531 1.00 0.00 C ATOM 0 H VAL A 43 0.861 -6.120 -10.062 1.00 0.00 H new ATOM 0 HA VAL A 43 2.620 -3.795 -9.470 1.00 0.00 H new ATOM 0 HB VAL A 43 1.316 -5.747 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.580 -4.607 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.653 -5.447 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.474 -3.678 -6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.384 -3.669 -6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.139 -2.698 -7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.150 -3.857 -8.177 1.00 0.00 H new ATOM 678 N ASP A 44 4.557 -5.330 -9.933 1.00 0.00 N ATOM 679 CA ASP A 44 5.730 -6.164 -10.230 1.00 0.00 C ATOM 680 C ASP A 44 6.836 -5.802 -9.233 1.00 0.00 C ATOM 681 O ASP A 44 7.620 -4.866 -9.449 1.00 0.00 O ATOM 682 CB ASP A 44 6.192 -5.974 -11.696 1.00 0.00 C ATOM 683 CG ASP A 44 7.410 -6.844 -12.069 1.00 0.00 C ATOM 684 OD1 ASP A 44 7.299 -8.092 -12.034 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.476 -6.295 -12.413 1.00 0.00 O ATOM 0 H ASP A 44 4.707 -4.338 -10.118 1.00 0.00 H new ATOM 0 HA ASP A 44 5.477 -7.219 -10.123 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.365 -6.213 -12.364 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.440 -4.925 -11.859 1.00 0.00 H new ATOM 690 N LEU A 45 6.853 -6.550 -8.121 1.00 0.00 N ATOM 691 CA LEU A 45 7.675 -6.260 -6.942 1.00 0.00 C ATOM 692 C LEU A 45 9.143 -6.699 -7.159 1.00 0.00 C ATOM 693 O LEU A 45 9.542 -7.778 -6.738 1.00 0.00 O ATOM 694 CB LEU A 45 7.040 -6.964 -5.701 1.00 0.00 C ATOM 695 CG LEU A 45 7.734 -6.715 -4.327 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.740 -5.217 -3.970 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.091 -7.563 -3.200 1.00 0.00 C ATOM 0 H LEU A 45 6.284 -7.390 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 45 7.696 -5.184 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.001 -6.643 -5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.028 -8.038 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 45 8.771 -7.037 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.230 -5.074 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.280 -4.662 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.714 -4.853 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.601 -7.363 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.037 -7.302 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.182 -8.621 -3.444 1.00 0.00 H new ATOM 709 N VAL A 46 9.918 -5.877 -7.890 1.00 0.00 N ATOM 710 CA VAL A 46 11.381 -6.033 -8.043 1.00 0.00 C ATOM 711 C VAL A 46 12.027 -4.643 -8.030 1.00 0.00 C ATOM 712 O VAL A 46 11.335 -3.629 -8.192 1.00 0.00 O ATOM 713 CB VAL A 46 11.805 -6.809 -9.365 1.00 0.00 C ATOM 714 CG1 VAL A 46 11.298 -8.273 -9.379 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.355 -6.048 -10.639 1.00 0.00 C ATOM 0 H VAL A 46 9.544 -5.076 -8.398 1.00 0.00 H new ATOM 0 HA VAL A 46 11.730 -6.641 -7.209 1.00 0.00 H new ATOM 0 HB VAL A 46 12.894 -6.851 -9.366 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.614 -8.759 -10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.713 -8.810 -8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.210 -8.282 -9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.661 -6.606 -11.524 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.270 -5.941 -10.635 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.817 -5.061 -10.655 1.00 0.00 H new ATOM 725 N VAL A 47 13.351 -4.599 -7.835 1.00 0.00 N ATOM 726 CA VAL A 47 14.113 -3.339 -7.817 1.00 0.00 C ATOM 727 C VAL A 47 14.240 -2.806 -9.265 1.00 0.00 C ATOM 728 O VAL A 47 14.979 -3.370 -10.081 1.00 0.00 O ATOM 729 CB VAL A 47 15.538 -3.528 -7.175 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.309 -2.180 -7.083 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.438 -4.225 -5.791 1.00 0.00 C ATOM 0 H VAL A 47 13.924 -5.430 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 47 13.576 -2.618 -7.201 1.00 0.00 H new ATOM 0 HB VAL A 47 16.113 -4.180 -7.833 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.288 -2.351 -6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.435 -1.764 -8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.745 -1.480 -6.467 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.436 -4.343 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.831 -3.617 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.976 -5.205 -5.910 1.00 0.00 H new ATOM 741 N GLY A 48 13.484 -1.739 -9.558 1.00 0.00 N ATOM 742 CA GLY A 48 13.374 -1.180 -10.908 1.00 0.00 C ATOM 743 C GLY A 48 12.095 -1.628 -11.614 1.00 0.00 C ATOM 744 O GLY A 48 11.869 -1.278 -12.776 1.00 0.00 O ATOM 0 H GLY A 48 12.931 -1.239 -8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.394 -0.092 -10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.239 -1.485 -11.498 1.00 0.00 H new ATOM 748 N GLY A 49 11.271 -2.427 -10.908 1.00 0.00 N ATOM 749 CA GLY A 49 9.953 -2.835 -11.395 1.00 0.00 C ATOM 750 C GLY A 49 8.902 -1.782 -11.123 1.00 0.00 C ATOM 751 O GLY A 49 9.087 -0.947 -10.242 1.00 0.00 O ATOM 0 H GLY A 49 11.506 -2.802 -9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.005 -3.028 -12.467 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.662 -3.770 -10.917 1.00 0.00 H new ATOM 755 N ARG A 50 7.800 -1.799 -11.881 1.00 0.00 N ATOM 756 CA ARG A 50 6.729 -0.800 -11.738 1.00 0.00 C ATOM 757 C ARG A 50 5.430 -1.417 -11.203 1.00 0.00 C ATOM 758 O ARG A 50 5.189 -2.625 -11.323 1.00 0.00 O ATOM 759 CB ARG A 50 6.465 -0.066 -13.083 1.00 0.00 C ATOM 760 CG ARG A 50 7.624 0.842 -13.565 1.00 0.00 C ATOM 761 CD ARG A 50 7.253 1.687 -14.798 1.00 0.00 C ATOM 762 NE ARG A 50 8.371 2.547 -15.255 1.00 0.00 N ATOM 763 CZ ARG A 50 8.251 3.664 -16.004 1.00 0.00 C ATOM 764 NH1 ARG A 50 7.065 4.091 -16.418 1.00 0.00 N ATOM 765 NH2 ARG A 50 9.338 4.342 -16.335 1.00 0.00 N ATOM 0 H ARG A 50 7.624 -2.497 -12.604 1.00 0.00 H new ATOM 0 HA ARG A 50 7.074 -0.072 -11.004 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.261 -0.810 -13.853 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.566 0.541 -12.979 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.921 1.505 -12.753 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.489 0.223 -13.803 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.952 1.026 -15.610 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.392 2.312 -14.560 1.00 0.00 H new ATOM 0 HE ARG A 50 9.313 2.271 -14.979 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.222 3.573 -16.171 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.996 4.937 -16.983 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.255 4.019 -16.025 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.259 5.187 -16.900 1.00 0.00 H new ATOM 779 N PHE A 51 4.603 -0.549 -10.596 1.00 0.00 N ATOM 780 CA PHE A 51 3.235 -0.870 -10.147 1.00 0.00 C ATOM 781 C PHE A 51 2.258 0.135 -10.786 1.00 0.00 C ATOM 782 O PHE A 51 2.660 1.263 -11.095 1.00 0.00 O ATOM 783 CB PHE A 51 3.138 -0.823 -8.591 1.00 0.00 C ATOM 784 CG PHE A 51 3.454 0.549 -7.972 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.764 0.925 -7.689 1.00 0.00 C ATOM 786 CD2 PHE A 51 2.438 1.464 -7.690 1.00 0.00 C ATOM 787 CE1 PHE A 51 5.045 2.161 -7.151 1.00 0.00 C ATOM 788 CE2 PHE A 51 2.720 2.703 -7.156 1.00 0.00 C ATOM 789 CZ PHE A 51 4.023 3.053 -6.884 1.00 0.00 C ATOM 0 H PHE A 51 4.871 0.415 -10.399 1.00 0.00 H new ATOM 0 HA PHE A 51 2.976 -1.881 -10.460 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.132 -1.118 -8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.823 -1.561 -8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.571 0.238 -7.894 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.412 1.196 -7.894 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.068 2.435 -6.937 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.919 3.398 -6.951 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.247 4.022 -6.463 1.00 0.00 H new ATOM 799 N CYS A 52 1.000 -0.281 -11.000 1.00 0.00 N ATOM 800 CA CYS A 52 -0.077 0.574 -11.519 1.00 0.00 C ATOM 801 C CYS A 52 -1.408 0.177 -10.874 1.00 0.00 C ATOM 802 O CYS A 52 -1.835 -0.975 -11.001 1.00 0.00 O ATOM 803 CB CYS A 52 -0.143 0.426 -13.053 1.00 0.00 C ATOM 804 SG CYS A 52 -0.181 -1.283 -13.634 1.00 0.00 S ATOM 0 H CYS A 52 0.698 -1.237 -10.814 1.00 0.00 H new ATOM 0 HA CYS A 52 0.122 1.617 -11.274 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.031 0.941 -13.418 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.719 0.928 -13.492 1.00 0.00 H new ATOM 0 HG CYS A 52 0.242 -2.071 -12.691 1.00 0.00 H new ATOM 810 N HIS A 53 -2.037 1.120 -10.142 1.00 0.00 N ATOM 811 CA HIS A 53 -3.331 0.905 -9.469 1.00 0.00 C ATOM 812 C HIS A 53 -4.426 1.708 -10.187 1.00 0.00 C ATOM 813 O HIS A 53 -4.710 2.847 -9.792 1.00 0.00 O ATOM 814 CB HIS A 53 -3.267 1.360 -7.980 1.00 0.00 C ATOM 815 CG HIS A 53 -2.180 0.728 -7.148 1.00 0.00 C ATOM 816 ND1 HIS A 53 -2.357 -0.426 -6.417 1.00 0.00 N ATOM 817 CD2 HIS A 53 -0.906 1.116 -6.920 1.00 0.00 C ATOM 818 CE1 HIS A 53 -1.236 -0.715 -5.779 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.341 0.202 -6.069 1.00 0.00 N ATOM 0 H HIS A 53 -1.658 2.056 -10.002 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.559 -0.160 -9.504 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.135 2.442 -7.955 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.228 1.145 -7.512 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.421 1.988 -7.333 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.082 -1.563 -5.128 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.617 0.229 -5.719 1.00 0.00 H new ATOM 828 N HIS A 54 -5.013 1.149 -11.261 1.00 0.00 N ATOM 829 CA HIS A 54 -6.130 1.817 -11.962 1.00 0.00 C ATOM 830 C HIS A 54 -7.384 1.678 -11.109 1.00 0.00 C ATOM 831 O HIS A 54 -7.852 0.565 -10.871 1.00 0.00 O ATOM 832 CB HIS A 54 -6.372 1.237 -13.377 1.00 0.00 C ATOM 833 CG HIS A 54 -5.221 1.450 -14.327 1.00 0.00 C ATOM 834 ND1 HIS A 54 -4.098 0.654 -14.327 1.00 0.00 N ATOM 835 CD2 HIS A 54 -5.009 2.391 -15.283 1.00 0.00 C ATOM 836 CE1 HIS A 54 -3.247 1.094 -15.235 1.00 0.00 C ATOM 837 NE2 HIS A 54 -3.774 2.144 -15.827 1.00 0.00 N ATOM 0 H HIS A 54 -4.740 0.251 -11.659 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.874 2.867 -12.100 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.568 0.168 -13.293 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.268 1.693 -13.798 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -5.686 3.185 -15.563 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.281 0.664 -15.455 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -3.335 2.687 -16.571 1.00 0.00 H new ATOM 846 N MET A 55 -7.879 2.818 -10.617 1.00 0.00 N ATOM 847 CA MET A 55 -9.103 2.895 -9.807 1.00 0.00 C ATOM 848 C MET A 55 -10.065 3.891 -10.446 1.00 0.00 C ATOM 849 O MET A 55 -9.645 4.838 -11.114 1.00 0.00 O ATOM 850 CB MET A 55 -8.809 3.320 -8.345 1.00 0.00 C ATOM 851 CG MET A 55 -7.852 2.404 -7.594 1.00 0.00 C ATOM 852 SD MET A 55 -7.637 2.892 -5.872 1.00 0.00 S ATOM 853 CE MET A 55 -7.057 4.581 -6.018 1.00 0.00 C ATOM 0 H MET A 55 -7.437 3.725 -10.771 1.00 0.00 H new ATOM 0 HA MET A 55 -9.548 1.901 -9.776 1.00 0.00 H new ATOM 0 HB2 MET A 55 -8.395 4.328 -8.351 1.00 0.00 H new ATOM 0 HB3 MET A 55 -9.751 3.365 -7.798 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.227 1.381 -7.634 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.883 2.409 -8.093 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.327 4.784 -5.235 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.592 4.723 -6.994 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.899 5.265 -5.915 1.00 0.00 H new ATOM 863 N ALA A 56 -11.357 3.666 -10.219 1.00 0.00 N ATOM 864 CA ALA A 56 -12.424 4.529 -10.708 1.00 0.00 C ATOM 865 C ALA A 56 -13.690 4.288 -9.896 1.00 0.00 C ATOM 866 O ALA A 56 -13.782 3.307 -9.152 1.00 0.00 O ATOM 867 CB ALA A 56 -12.669 4.291 -12.208 1.00 0.00 C ATOM 0 H ALA A 56 -11.695 2.867 -9.682 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.127 5.571 -10.586 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.469 4.945 -12.554 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.757 4.508 -12.764 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.954 3.251 -12.370 1.00 0.00 H new ATOM 873 N ALA A 57 -14.643 5.217 -10.018 1.00 0.00 N ATOM 874 CA ALA A 57 -15.978 5.075 -9.431 1.00 0.00 C ATOM 875 C ALA A 57 -16.743 3.961 -10.166 1.00 0.00 C ATOM 876 O ALA A 57 -16.468 3.696 -11.348 1.00 0.00 O ATOM 877 CB ALA A 57 -16.734 6.414 -9.508 1.00 0.00 C ATOM 0 H ALA A 57 -14.510 6.090 -10.528 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.891 4.800 -8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.725 6.298 -9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.181 7.176 -8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.832 6.717 -10.550 1.00 0.00 H new ATOM 883 N LYS A 58 -17.683 3.308 -9.470 1.00 0.00 N ATOM 884 CA LYS A 58 -18.537 2.241 -10.054 1.00 0.00 C ATOM 885 C LYS A 58 -19.484 2.808 -11.137 1.00 0.00 C ATOM 886 O LYS A 58 -19.897 2.089 -12.054 1.00 0.00 O ATOM 887 CB LYS A 58 -19.352 1.537 -8.940 1.00 0.00 C ATOM 888 CG LYS A 58 -18.497 0.813 -7.876 1.00 0.00 C ATOM 889 CD LYS A 58 -19.345 0.142 -6.760 1.00 0.00 C ATOM 890 CE LYS A 58 -19.872 1.117 -5.685 1.00 0.00 C ATOM 891 NZ LYS A 58 -20.770 2.174 -6.210 1.00 0.00 N ATOM 0 H LYS A 58 -17.880 3.497 -8.487 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.884 1.511 -10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.977 2.278 -8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.023 0.813 -9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -17.887 0.054 -8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.812 1.529 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.193 -0.365 -7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.742 -0.624 -6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.406 0.547 -4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -19.023 1.590 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -21.443 2.458 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.205 2.998 -6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.293 1.809 -7.031 1.00 0.00 H new ATOM 905 N ASP A 59 -19.804 4.108 -11.013 1.00 0.00 N ATOM 906 CA ASP A 59 -20.613 4.848 -11.999 1.00 0.00 C ATOM 907 C ASP A 59 -19.727 5.433 -13.117 1.00 0.00 C ATOM 908 O ASP A 59 -20.237 5.818 -14.178 1.00 0.00 O ATOM 909 CB ASP A 59 -21.397 5.993 -11.304 1.00 0.00 C ATOM 910 CG ASP A 59 -22.361 5.482 -10.222 1.00 0.00 C ATOM 911 OD1 ASP A 59 -23.364 4.823 -10.573 1.00 0.00 O ATOM 912 OD2 ASP A 59 -22.130 5.731 -9.024 1.00 0.00 O ATOM 0 H ASP A 59 -19.507 4.679 -10.221 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.318 4.146 -12.445 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -20.690 6.691 -10.855 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.961 6.549 -12.054 1.00 0.00 H new ATOM 917 N GLY A 60 -18.402 5.491 -12.866 1.00 0.00 N ATOM 918 CA GLY A 60 -17.455 6.162 -13.769 1.00 0.00 C ATOM 919 C GLY A 60 -17.511 7.686 -13.636 1.00 0.00 C ATOM 920 O GLY A 60 -17.171 8.409 -14.578 1.00 0.00 O ATOM 0 H GLY A 60 -17.967 5.078 -12.041 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.444 5.817 -13.554 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.676 5.880 -14.799 1.00 0.00 H new ATOM 924 N SER A 61 -17.923 8.158 -12.437 1.00 0.00 N ATOM 925 CA SER A 61 -18.035 9.597 -12.100 1.00 0.00 C ATOM 926 C SER A 61 -16.670 10.310 -12.231 1.00 0.00 C ATOM 927 O SER A 61 -16.599 11.471 -12.646 1.00 0.00 O ATOM 928 CB SER A 61 -18.580 9.734 -10.661 1.00 0.00 C ATOM 929 OG SER A 61 -19.751 8.950 -10.497 1.00 0.00 O ATOM 0 H SER A 61 -18.190 7.544 -11.667 1.00 0.00 H new ATOM 0 HA SER A 61 -18.721 10.073 -12.801 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.820 9.418 -9.946 1.00 0.00 H new ATOM 0 HB3 SER A 61 -18.802 10.780 -10.448 1.00 0.00 H new ATOM 0 HG SER A 61 -20.083 9.046 -9.580 1.00 0.00 H new ATOM 935 N ALA A 62 -15.602 9.570 -11.885 1.00 0.00 N ATOM 936 CA ALA A 62 -14.202 9.996 -12.050 1.00 0.00 C ATOM 937 C ALA A 62 -13.278 8.783 -11.849 1.00 0.00 C ATOM 938 O ALA A 62 -13.752 7.690 -11.521 1.00 0.00 O ATOM 939 CB ALA A 62 -13.851 11.140 -11.078 1.00 0.00 C ATOM 0 H ALA A 62 -15.690 8.640 -11.475 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.061 10.384 -13.059 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.811 11.434 -11.222 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.500 11.994 -11.272 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.993 10.802 -10.052 1.00 0.00 H new ATOM 945 N GLY A 63 -11.961 8.977 -12.053 1.00 0.00 N ATOM 946 CA GLY A 63 -10.971 7.913 -11.860 1.00 0.00 C ATOM 947 C GLY A 63 -9.633 8.452 -11.376 1.00 0.00 C ATOM 948 O GLY A 63 -9.286 9.604 -11.660 1.00 0.00 O ATOM 0 H GLY A 63 -11.562 9.867 -12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.352 7.191 -11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.827 7.379 -12.799 1.00 0.00 H new ATOM 952 N PHE A 64 -8.900 7.618 -10.612 1.00 0.00 N ATOM 953 CA PHE A 64 -7.530 7.907 -10.129 1.00 0.00 C ATOM 954 C PHE A 64 -6.651 6.653 -10.287 1.00 0.00 C ATOM 955 O PHE A 64 -6.957 5.609 -9.712 1.00 0.00 O ATOM 956 CB PHE A 64 -7.526 8.364 -8.642 1.00 0.00 C ATOM 957 CG PHE A 64 -8.200 9.718 -8.391 1.00 0.00 C ATOM 958 CD1 PHE A 64 -7.548 10.908 -8.712 1.00 0.00 C ATOM 959 CD2 PHE A 64 -9.472 9.798 -7.831 1.00 0.00 C ATOM 960 CE1 PHE A 64 -8.148 12.134 -8.481 1.00 0.00 C ATOM 961 CE2 PHE A 64 -10.070 11.024 -7.602 1.00 0.00 C ATOM 962 CZ PHE A 64 -9.410 12.189 -7.925 1.00 0.00 C ATOM 0 H PHE A 64 -9.247 6.709 -10.307 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.129 8.723 -10.730 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.028 7.606 -8.041 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.494 8.416 -8.294 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.560 10.873 -9.147 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -9.999 8.891 -7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.629 13.046 -8.736 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -11.058 11.068 -7.168 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.880 13.144 -7.743 1.00 0.00 H new ATOM 972 N ASP A 65 -5.566 6.770 -11.068 1.00 0.00 N ATOM 973 CA ASP A 65 -4.564 5.705 -11.250 1.00 0.00 C ATOM 974 C ASP A 65 -3.267 6.113 -10.528 1.00 0.00 C ATOM 975 O ASP A 65 -2.879 7.289 -10.557 1.00 0.00 O ATOM 976 CB ASP A 65 -4.320 5.457 -12.767 1.00 0.00 C ATOM 977 CG ASP A 65 -3.149 4.498 -13.109 1.00 0.00 C ATOM 978 OD1 ASP A 65 -2.987 3.440 -12.456 1.00 0.00 O ATOM 979 OD2 ASP A 65 -2.393 4.796 -14.053 1.00 0.00 O ATOM 0 H ASP A 65 -5.356 7.616 -11.598 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.924 4.771 -10.819 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.235 5.055 -13.203 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.133 6.417 -13.248 1.00 0.00 H new ATOM 984 N PHE A 66 -2.612 5.135 -9.882 1.00 0.00 N ATOM 985 CA PHE A 66 -1.368 5.343 -9.112 1.00 0.00 C ATOM 986 C PHE A 66 -0.281 4.402 -9.633 1.00 0.00 C ATOM 987 O PHE A 66 -0.194 3.237 -9.218 1.00 0.00 O ATOM 988 CB PHE A 66 -1.609 5.146 -7.585 1.00 0.00 C ATOM 989 CG PHE A 66 -2.433 6.273 -6.942 1.00 0.00 C ATOM 990 CD1 PHE A 66 -3.827 6.255 -6.973 1.00 0.00 C ATOM 991 CD2 PHE A 66 -1.803 7.356 -6.326 1.00 0.00 C ATOM 992 CE1 PHE A 66 -4.564 7.284 -6.403 1.00 0.00 C ATOM 993 CE2 PHE A 66 -2.539 8.385 -5.759 1.00 0.00 C ATOM 994 CZ PHE A 66 -3.920 8.347 -5.798 1.00 0.00 C ATOM 0 H PHE A 66 -2.932 4.166 -9.878 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.035 6.372 -9.250 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.121 4.197 -7.426 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.646 5.078 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.339 5.430 -7.446 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.724 7.393 -6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.643 7.254 -6.432 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.034 9.215 -5.288 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.495 9.147 -5.356 1.00 0.00 H new ATOM 1004 N THR A 67 0.504 4.902 -10.598 1.00 0.00 N ATOM 1005 CA THR A 67 1.676 4.195 -11.126 1.00 0.00 C ATOM 1006 C THR A 67 2.937 4.612 -10.352 1.00 0.00 C ATOM 1007 O THR A 67 2.875 5.456 -9.452 1.00 0.00 O ATOM 1008 CB THR A 67 1.878 4.460 -12.658 1.00 0.00 C ATOM 1009 OG1 THR A 67 1.982 5.861 -12.915 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.739 3.896 -13.501 1.00 0.00 C ATOM 0 H THR A 67 0.342 5.810 -11.034 1.00 0.00 H new ATOM 0 HA THR A 67 1.502 3.127 -10.994 1.00 0.00 H new ATOM 0 HB THR A 67 2.801 3.952 -12.939 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.109 6.009 -13.875 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.927 4.106 -14.554 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.675 2.818 -13.352 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.200 4.360 -13.201 1.00 0.00 H new ATOM 1018 N GLY A 68 4.065 3.978 -10.672 1.00 0.00 N ATOM 1019 CA GLY A 68 5.365 4.375 -10.139 1.00 0.00 C ATOM 1020 C GLY A 68 6.369 3.249 -10.206 1.00 0.00 C ATOM 1021 O GLY A 68 6.043 2.153 -10.673 1.00 0.00 O ATOM 0 H GLY A 68 4.102 3.179 -11.305 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.741 5.231 -10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.250 4.698 -9.104 1.00 0.00 H new ATOM 1025 N THR A 69 7.590 3.502 -9.710 1.00 0.00 N ATOM 1026 CA THR A 69 8.691 2.523 -9.751 1.00 0.00 C ATOM 1027 C THR A 69 9.183 2.204 -8.330 1.00 0.00 C ATOM 1028 O THR A 69 9.376 3.117 -7.515 1.00 0.00 O ATOM 1029 CB THR A 69 9.891 3.050 -10.610 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.442 3.398 -11.929 1.00 0.00 O ATOM 1031 CG2 THR A 69 11.037 2.025 -10.730 1.00 0.00 C ATOM 0 H THR A 69 7.843 4.387 -9.270 1.00 0.00 H new ATOM 0 HA THR A 69 8.303 1.615 -10.213 1.00 0.00 H new ATOM 0 HB THR A 69 10.279 3.927 -10.092 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.200 3.728 -12.456 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.840 2.446 -11.336 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.418 1.788 -9.737 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.664 1.116 -11.202 1.00 0.00 H new ATOM 1039 N PHE A 70 9.370 0.896 -8.049 1.00 0.00 N ATOM 1040 CA PHE A 70 10.025 0.404 -6.831 1.00 0.00 C ATOM 1041 C PHE A 70 11.514 0.772 -6.879 1.00 0.00 C ATOM 1042 O PHE A 70 12.283 0.189 -7.652 1.00 0.00 O ATOM 1043 CB PHE A 70 9.850 -1.126 -6.670 1.00 0.00 C ATOM 1044 CG PHE A 70 8.392 -1.566 -6.548 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.678 -1.327 -5.377 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.733 -2.205 -7.595 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.360 -1.711 -5.258 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.415 -2.592 -7.473 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.729 -2.343 -6.303 1.00 0.00 C ATOM 0 H PHE A 70 9.065 0.149 -8.673 1.00 0.00 H new ATOM 0 HA PHE A 70 9.556 0.875 -5.967 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.301 -1.627 -7.526 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.395 -1.454 -5.785 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.165 -0.833 -4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.262 -2.400 -8.516 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.822 -1.515 -4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.920 -3.090 -8.294 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.696 -2.644 -6.208 1.00 0.00 H new ATOM 1059 N THR A 71 11.887 1.761 -6.066 1.00 0.00 N ATOM 1060 CA THR A 71 13.243 2.322 -6.037 1.00 0.00 C ATOM 1061 C THR A 71 14.175 1.452 -5.173 1.00 0.00 C ATOM 1062 O THR A 71 15.396 1.451 -5.369 1.00 0.00 O ATOM 1063 CB THR A 71 13.196 3.782 -5.491 1.00 0.00 C ATOM 1064 OG1 THR A 71 12.525 3.793 -4.215 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.459 4.727 -6.459 1.00 0.00 C ATOM 0 H THR A 71 11.251 2.201 -5.401 1.00 0.00 H new ATOM 0 HA THR A 71 13.640 2.334 -7.052 1.00 0.00 H new ATOM 0 HB THR A 71 14.222 4.136 -5.386 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.495 4.709 -3.869 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.447 5.735 -6.045 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.973 4.736 -7.420 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.435 4.379 -6.598 1.00 0.00 H new ATOM 1073 N ARG A 72 13.569 0.699 -4.235 1.00 0.00 N ATOM 1074 CA ARG A 72 14.288 -0.161 -3.285 1.00 0.00 C ATOM 1075 C ARG A 72 13.333 -1.223 -2.719 1.00 0.00 C ATOM 1076 O ARG A 72 12.310 -0.883 -2.143 1.00 0.00 O ATOM 1077 CB ARG A 72 14.900 0.706 -2.147 1.00 0.00 C ATOM 1078 CG ARG A 72 15.514 -0.075 -0.966 1.00 0.00 C ATOM 1079 CD ARG A 72 16.114 0.865 0.097 1.00 0.00 C ATOM 1080 NE ARG A 72 15.108 1.811 0.635 1.00 0.00 N ATOM 1081 CZ ARG A 72 15.215 3.153 0.659 1.00 0.00 C ATOM 1082 NH1 ARG A 72 16.280 3.760 0.152 1.00 0.00 N ATOM 1083 NH2 ARG A 72 14.237 3.875 1.178 1.00 0.00 N ATOM 0 H ARG A 72 12.556 0.673 -4.117 1.00 0.00 H new ATOM 0 HA ARG A 72 15.102 -0.673 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.672 1.344 -2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.123 1.364 -1.758 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.748 -0.700 -0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.290 -0.744 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.527 0.272 0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.941 1.425 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 72 14.255 1.408 1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.032 3.209 -0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.347 4.777 0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.409 3.415 1.557 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.310 4.892 1.200 1.00 0.00 H new ATOM 1097 N VAL A 73 13.664 -2.515 -2.910 1.00 0.00 N ATOM 1098 CA VAL A 73 12.919 -3.636 -2.307 1.00 0.00 C ATOM 1099 C VAL A 73 13.842 -4.332 -1.285 1.00 0.00 C ATOM 1100 O VAL A 73 14.777 -5.049 -1.668 1.00 0.00 O ATOM 1101 CB VAL A 73 12.414 -4.676 -3.380 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.563 -5.793 -2.719 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.641 -3.965 -4.520 1.00 0.00 C ATOM 0 H VAL A 73 14.453 -2.810 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 73 12.028 -3.237 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 73 13.287 -5.154 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.228 -6.495 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.166 -6.320 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.696 -5.349 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.303 -4.704 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.778 -3.444 -4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.297 -3.246 -5.011 1.00 0.00 H new ATOM 1113 N GLU A 74 13.600 -4.072 0.010 1.00 0.00 N ATOM 1114 CA GLU A 74 14.401 -4.627 1.112 1.00 0.00 C ATOM 1115 C GLU A 74 13.628 -5.798 1.767 1.00 0.00 C ATOM 1116 O GLU A 74 13.182 -5.710 2.911 1.00 0.00 O ATOM 1117 CB GLU A 74 14.755 -3.479 2.115 1.00 0.00 C ATOM 1118 CG GLU A 74 15.769 -3.851 3.218 1.00 0.00 C ATOM 1119 CD GLU A 74 17.104 -4.397 2.669 1.00 0.00 C ATOM 1120 OE1 GLU A 74 18.010 -3.596 2.365 1.00 0.00 O ATOM 1121 OE2 GLU A 74 17.247 -5.634 2.528 1.00 0.00 O ATOM 0 H GLU A 74 12.840 -3.468 0.323 1.00 0.00 H new ATOM 0 HA GLU A 74 15.344 -5.036 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.152 -2.636 1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.835 -3.139 2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.969 -2.970 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.322 -4.598 3.874 1.00 0.00 H new ATOM 1128 N ALA A 75 13.476 -6.900 1.012 1.00 0.00 N ATOM 1129 CA ALA A 75 12.586 -8.021 1.377 1.00 0.00 C ATOM 1130 C ALA A 75 13.145 -8.853 2.557 1.00 0.00 C ATOM 1131 O ALA A 75 14.353 -9.099 2.597 1.00 0.00 O ATOM 1132 CB ALA A 75 12.374 -8.915 0.147 1.00 0.00 C ATOM 0 H ALA A 75 13.967 -7.041 0.129 1.00 0.00 H new ATOM 0 HA ALA A 75 11.634 -7.605 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.718 -9.745 0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.919 -8.331 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.335 -9.305 -0.190 1.00 0.00 H new ATOM 1138 N PRO A 76 12.287 -9.283 3.553 1.00 0.00 N ATOM 1139 CA PRO A 76 10.837 -8.936 3.658 1.00 0.00 C ATOM 1140 C PRO A 76 10.566 -7.801 4.673 1.00 0.00 C ATOM 1141 O PRO A 76 9.416 -7.566 5.065 1.00 0.00 O ATOM 1142 CB PRO A 76 10.260 -10.283 4.136 1.00 0.00 C ATOM 1143 CG PRO A 76 11.310 -10.837 5.071 1.00 0.00 C ATOM 1144 CD PRO A 76 12.650 -10.208 4.660 1.00 0.00 C ATOM 0 HA PRO A 76 10.404 -8.552 2.734 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.307 -10.147 4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.080 -10.957 3.298 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.071 -10.595 6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.356 -11.924 5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.112 -9.675 5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.362 -10.965 4.331 1.00 0.00 H new ATOM 1152 N THR A 77 11.646 -7.112 5.073 1.00 0.00 N ATOM 1153 CA THR A 77 11.625 -6.109 6.133 1.00 0.00 C ATOM 1154 C THR A 77 10.872 -4.844 5.694 1.00 0.00 C ATOM 1155 O THR A 77 9.916 -4.434 6.334 1.00 0.00 O ATOM 1156 CB THR A 77 13.079 -5.741 6.549 1.00 0.00 C ATOM 1157 OG1 THR A 77 13.789 -6.932 6.937 1.00 0.00 O ATOM 1158 CG2 THR A 77 13.116 -4.727 7.710 1.00 0.00 C ATOM 0 H THR A 77 12.569 -7.243 4.659 1.00 0.00 H new ATOM 0 HA THR A 77 11.099 -6.536 6.987 1.00 0.00 H new ATOM 0 HB THR A 77 13.556 -5.277 5.686 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.704 -6.697 7.197 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.152 -4.502 7.964 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.609 -3.810 7.409 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.613 -5.151 8.579 1.00 0.00 H new ATOM 1166 N ARG A 78 11.340 -4.224 4.596 1.00 0.00 N ATOM 1167 CA ARG A 78 10.819 -2.940 4.099 1.00 0.00 C ATOM 1168 C ARG A 78 10.674 -2.949 2.578 1.00 0.00 C ATOM 1169 O ARG A 78 11.235 -3.788 1.871 1.00 0.00 O ATOM 1170 CB ARG A 78 11.727 -1.748 4.511 1.00 0.00 C ATOM 1171 CG ARG A 78 11.830 -1.488 6.020 1.00 0.00 C ATOM 1172 CD ARG A 78 12.599 -0.201 6.335 1.00 0.00 C ATOM 1173 NE ARG A 78 11.915 0.998 5.804 1.00 0.00 N ATOM 1174 CZ ARG A 78 12.531 2.114 5.381 1.00 0.00 C ATOM 1175 NH1 ARG A 78 13.859 2.217 5.406 1.00 0.00 N ATOM 1176 NH2 ARG A 78 11.811 3.124 4.939 1.00 0.00 N ATOM 0 H ARG A 78 12.096 -4.603 4.025 1.00 0.00 H new ATOM 0 HA ARG A 78 9.838 -2.811 4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.729 -1.925 4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.353 -0.845 4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.828 -1.424 6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.326 -2.332 6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.716 -0.103 7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.601 -0.264 5.911 1.00 0.00 H new ATOM 0 HE ARG A 78 10.896 0.976 5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.424 1.441 5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.310 3.072 5.081 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.794 3.055 4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.271 3.975 4.616 1.00 0.00 H new ATOM 1190 N LEU A 79 9.913 -1.974 2.109 1.00 0.00 N ATOM 1191 CA LEU A 79 9.717 -1.679 0.699 1.00 0.00 C ATOM 1192 C LEU A 79 9.774 -0.158 0.534 1.00 0.00 C ATOM 1193 O LEU A 79 9.387 0.567 1.443 1.00 0.00 O ATOM 1194 CB LEU A 79 8.359 -2.254 0.237 1.00 0.00 C ATOM 1195 CG LEU A 79 7.986 -2.006 -1.251 1.00 0.00 C ATOM 1196 CD1 LEU A 79 9.112 -2.489 -2.203 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.616 -2.652 -1.592 1.00 0.00 C ATOM 0 H LEU A 79 9.396 -1.343 2.722 1.00 0.00 H new ATOM 0 HA LEU A 79 10.491 -2.137 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.362 -3.329 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.575 -1.829 0.863 1.00 0.00 H new ATOM 0 HG LEU A 79 7.885 -0.931 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.820 -2.301 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.032 -1.948 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.276 -3.557 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.376 -2.465 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.667 -3.727 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.842 -2.218 -0.959 1.00 0.00 H new ATOM 1209 N SER A 80 10.304 0.320 -0.595 1.00 0.00 N ATOM 1210 CA SER A 80 10.387 1.752 -0.913 1.00 0.00 C ATOM 1211 C SER A 80 10.146 1.961 -2.412 1.00 0.00 C ATOM 1212 O SER A 80 10.696 1.239 -3.251 1.00 0.00 O ATOM 1213 CB SER A 80 11.764 2.319 -0.512 1.00 0.00 C ATOM 1214 OG SER A 80 12.018 2.132 0.874 1.00 0.00 O ATOM 0 H SER A 80 10.692 -0.280 -1.323 1.00 0.00 H new ATOM 0 HA SER A 80 9.621 2.283 -0.347 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.544 1.831 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.805 3.382 -0.751 1.00 0.00 H new ATOM 0 HG SER A 80 12.160 1.179 1.055 1.00 0.00 H new ATOM 1220 N PHE A 81 9.321 2.963 -2.735 1.00 0.00 N ATOM 1221 CA PHE A 81 8.934 3.288 -4.103 1.00 0.00 C ATOM 1222 C PHE A 81 8.516 4.753 -4.176 1.00 0.00 C ATOM 1223 O PHE A 81 8.355 5.419 -3.149 1.00 0.00 O ATOM 1224 CB PHE A 81 7.801 2.342 -4.608 1.00 0.00 C ATOM 1225 CG PHE A 81 6.619 2.132 -3.650 1.00 0.00 C ATOM 1226 CD1 PHE A 81 6.678 1.160 -2.650 1.00 0.00 C ATOM 1227 CD2 PHE A 81 5.444 2.867 -3.771 1.00 0.00 C ATOM 1228 CE1 PHE A 81 5.613 0.941 -1.802 1.00 0.00 C ATOM 1229 CE2 PHE A 81 4.375 2.641 -2.928 1.00 0.00 C ATOM 1230 CZ PHE A 81 4.457 1.674 -1.944 1.00 0.00 C ATOM 0 H PHE A 81 8.899 3.578 -2.039 1.00 0.00 H new ATOM 0 HA PHE A 81 9.789 3.135 -4.762 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.415 2.739 -5.547 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.240 1.369 -4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.575 0.568 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.367 3.626 -4.536 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.686 0.194 -1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.471 3.222 -3.038 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.617 1.494 -1.289 1.00 0.00 H new ATOM 1240 N VAL A 82 8.391 5.270 -5.397 1.00 0.00 N ATOM 1241 CA VAL A 82 7.899 6.631 -5.643 1.00 0.00 C ATOM 1242 C VAL A 82 6.783 6.546 -6.682 1.00 0.00 C ATOM 1243 O VAL A 82 6.929 5.842 -7.694 1.00 0.00 O ATOM 1244 CB VAL A 82 9.034 7.606 -6.150 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.515 9.061 -6.277 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.289 7.536 -5.244 1.00 0.00 C ATOM 0 H VAL A 82 8.628 4.759 -6.247 1.00 0.00 H new ATOM 0 HA VAL A 82 7.535 7.044 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 82 9.328 7.272 -7.145 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.321 9.705 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.690 9.092 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.169 9.410 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.049 8.219 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.020 7.820 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.682 6.519 -5.245 1.00 0.00 H new ATOM 1256 N MET A 83 5.680 7.270 -6.430 1.00 0.00 N ATOM 1257 CA MET A 83 4.539 7.324 -7.353 1.00 0.00 C ATOM 1258 C MET A 83 4.865 8.302 -8.488 1.00 0.00 C ATOM 1259 O MET A 83 5.702 9.192 -8.318 1.00 0.00 O ATOM 1260 CB MET A 83 3.252 7.771 -6.612 1.00 0.00 C ATOM 1261 CG MET A 83 2.814 6.836 -5.477 1.00 0.00 C ATOM 1262 SD MET A 83 1.302 7.391 -4.647 1.00 0.00 S ATOM 1263 CE MET A 83 1.771 9.015 -4.038 1.00 0.00 C ATOM 0 H MET A 83 5.556 7.830 -5.586 1.00 0.00 H new ATOM 0 HA MET A 83 4.360 6.330 -7.762 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.411 8.769 -6.203 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.440 7.849 -7.335 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.655 5.835 -5.879 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.618 6.761 -4.744 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.358 9.162 -3.040 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.858 9.088 -3.996 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.382 9.781 -4.708 1.00 0.00 H new ATOM 1273 N ASP A 84 4.169 8.146 -9.629 1.00 0.00 N ATOM 1274 CA ASP A 84 4.291 9.041 -10.820 1.00 0.00 C ATOM 1275 C ASP A 84 3.949 10.507 -10.474 1.00 0.00 C ATOM 1276 O ASP A 84 4.352 11.438 -11.179 1.00 0.00 O ATOM 1277 CB ASP A 84 3.335 8.550 -11.937 1.00 0.00 C ATOM 1278 CG ASP A 84 1.851 8.645 -11.536 1.00 0.00 C ATOM 1279 OD1 ASP A 84 1.394 7.828 -10.706 1.00 0.00 O ATOM 1280 OD2 ASP A 84 1.137 9.529 -12.046 1.00 0.00 O ATOM 0 H ASP A 84 3.496 7.391 -9.763 1.00 0.00 H new ATOM 0 HA ASP A 84 5.327 9.003 -11.158 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.502 9.141 -12.838 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.574 7.516 -12.185 1.00 0.00 H new ATOM 1285 N ASP A 85 3.206 10.664 -9.365 1.00 0.00 N ATOM 1286 CA ASP A 85 2.762 11.950 -8.828 1.00 0.00 C ATOM 1287 C ASP A 85 3.969 12.804 -8.345 1.00 0.00 C ATOM 1288 O ASP A 85 3.895 14.037 -8.295 1.00 0.00 O ATOM 1289 CB ASP A 85 1.785 11.648 -7.655 1.00 0.00 C ATOM 1290 CG ASP A 85 1.252 12.898 -6.941 1.00 0.00 C ATOM 1291 OD1 ASP A 85 1.951 13.423 -6.061 1.00 0.00 O ATOM 1292 OD2 ASP A 85 0.149 13.358 -7.262 1.00 0.00 O ATOM 0 H ASP A 85 2.891 9.872 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 85 2.261 12.532 -9.602 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.941 11.075 -8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.294 11.017 -6.927 1.00 0.00 H new ATOM 1297 N GLY A 86 5.089 12.118 -8.042 1.00 0.00 N ATOM 1298 CA GLY A 86 6.285 12.744 -7.467 1.00 0.00 C ATOM 1299 C GLY A 86 6.458 12.409 -5.992 1.00 0.00 C ATOM 1300 O GLY A 86 7.581 12.395 -5.497 1.00 0.00 O ATOM 0 H GLY A 86 5.185 11.114 -8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.166 12.415 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.220 13.825 -7.587 1.00 0.00 H new ATOM 1304 N ARG A 87 5.343 12.121 -5.293 1.00 0.00 N ATOM 1305 CA ARG A 87 5.368 11.825 -3.843 1.00 0.00 C ATOM 1306 C ARG A 87 5.867 10.386 -3.575 1.00 0.00 C ATOM 1307 O ARG A 87 5.397 9.427 -4.203 1.00 0.00 O ATOM 1308 CB ARG A 87 3.979 12.078 -3.202 1.00 0.00 C ATOM 1309 CG ARG A 87 3.580 13.574 -3.156 1.00 0.00 C ATOM 1310 CD ARG A 87 2.215 13.811 -2.498 1.00 0.00 C ATOM 1311 NE ARG A 87 1.118 13.214 -3.280 1.00 0.00 N ATOM 1312 CZ ARG A 87 0.144 12.425 -2.800 1.00 0.00 C ATOM 1313 NH1 ARG A 87 0.085 12.109 -1.503 1.00 0.00 N ATOM 1314 NH2 ARG A 87 -0.763 11.942 -3.641 1.00 0.00 N ATOM 0 H ARG A 87 4.412 12.086 -5.708 1.00 0.00 H new ATOM 0 HA ARG A 87 6.076 12.506 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.224 11.526 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.978 11.679 -2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.342 14.131 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.561 13.971 -4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.217 13.387 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.044 14.882 -2.392 1.00 0.00 H new ATOM 0 HE ARG A 87 1.097 13.419 -4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.788 12.469 -0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.663 11.508 -1.158 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.712 12.172 -4.633 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.511 11.341 -3.295 1.00 0.00 H new ATOM 1328 N GLU A 88 6.829 10.269 -2.634 1.00 0.00 N ATOM 1329 CA GLU A 88 7.529 9.013 -2.313 1.00 0.00 C ATOM 1330 C GLU A 88 6.770 8.256 -1.206 1.00 0.00 C ATOM 1331 O GLU A 88 6.373 8.855 -0.194 1.00 0.00 O ATOM 1332 CB GLU A 88 9.003 9.287 -1.852 1.00 0.00 C ATOM 1333 CG GLU A 88 9.844 10.234 -2.760 1.00 0.00 C ATOM 1334 CD GLU A 88 9.706 11.729 -2.402 1.00 0.00 C ATOM 1335 OE1 GLU A 88 8.731 12.376 -2.819 1.00 0.00 O ATOM 1336 OE2 GLU A 88 10.581 12.267 -1.696 1.00 0.00 O ATOM 0 H GLU A 88 7.143 11.058 -2.069 1.00 0.00 H new ATOM 0 HA GLU A 88 7.561 8.404 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.975 9.711 -0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.522 8.331 -1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.894 9.949 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.542 10.089 -3.797 1.00 0.00 H new ATOM 1343 N VAL A 89 6.565 6.940 -1.411 1.00 0.00 N ATOM 1344 CA VAL A 89 5.871 6.056 -0.447 1.00 0.00 C ATOM 1345 C VAL A 89 6.746 4.815 -0.140 1.00 0.00 C ATOM 1346 O VAL A 89 7.198 4.127 -1.054 1.00 0.00 O ATOM 1347 CB VAL A 89 4.468 5.577 -0.997 1.00 0.00 C ATOM 1348 CG1 VAL A 89 3.693 4.744 0.064 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.618 6.768 -1.518 1.00 0.00 C ATOM 0 H VAL A 89 6.877 6.456 -2.253 1.00 0.00 H new ATOM 0 HA VAL A 89 5.705 6.632 0.463 1.00 0.00 H new ATOM 0 HB VAL A 89 4.662 4.923 -1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.734 4.432 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.277 3.863 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.525 5.353 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.662 6.398 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.445 7.474 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.150 7.269 -2.327 1.00 0.00 H new ATOM 1359 N ASP A 90 6.947 4.523 1.144 1.00 0.00 N ATOM 1360 CA ASP A 90 7.691 3.353 1.618 1.00 0.00 C ATOM 1361 C ASP A 90 6.869 2.661 2.702 1.00 0.00 C ATOM 1362 O ASP A 90 6.095 3.306 3.390 1.00 0.00 O ATOM 1363 CB ASP A 90 9.087 3.764 2.157 1.00 0.00 C ATOM 1364 CG ASP A 90 9.050 4.559 3.474 1.00 0.00 C ATOM 1365 OD1 ASP A 90 9.080 3.939 4.561 1.00 0.00 O ATOM 1366 OD2 ASP A 90 9.023 5.808 3.430 1.00 0.00 O ATOM 0 H ASP A 90 6.590 5.105 1.902 1.00 0.00 H new ATOM 0 HA ASP A 90 7.857 2.664 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.685 2.865 2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.594 4.362 1.400 1.00 0.00 H new ATOM 1371 N VAL A 91 7.023 1.342 2.844 1.00 0.00 N ATOM 1372 CA VAL A 91 6.327 0.557 3.881 1.00 0.00 C ATOM 1373 C VAL A 91 7.367 -0.210 4.726 1.00 0.00 C ATOM 1374 O VAL A 91 8.353 -0.698 4.186 1.00 0.00 O ATOM 1375 CB VAL A 91 5.292 -0.442 3.233 1.00 0.00 C ATOM 1376 CG1 VAL A 91 4.410 -1.120 4.316 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.426 0.267 2.155 1.00 0.00 C ATOM 0 H VAL A 91 7.632 0.783 2.246 1.00 0.00 H new ATOM 0 HA VAL A 91 5.770 1.237 4.525 1.00 0.00 H new ATOM 0 HB VAL A 91 5.858 -1.229 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.707 -1.802 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.044 -1.677 5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.858 -0.357 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.722 -0.447 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.876 1.089 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.072 0.657 1.368 1.00 0.00 H new ATOM 1387 N GLN A 92 7.149 -0.293 6.054 1.00 0.00 N ATOM 1388 CA GLN A 92 8.023 -1.036 6.982 1.00 0.00 C ATOM 1389 C GLN A 92 7.199 -2.071 7.754 1.00 0.00 C ATOM 1390 O GLN A 92 6.231 -1.731 8.426 1.00 0.00 O ATOM 1391 CB GLN A 92 8.737 -0.083 7.977 1.00 0.00 C ATOM 1392 CG GLN A 92 9.613 -0.799 9.035 1.00 0.00 C ATOM 1393 CD GLN A 92 10.485 0.150 9.861 1.00 0.00 C ATOM 1394 OE1 GLN A 92 11.622 0.438 9.493 1.00 0.00 O ATOM 1395 NE2 GLN A 92 9.956 0.647 10.964 1.00 0.00 N ATOM 0 H GLN A 92 6.357 0.156 6.514 1.00 0.00 H new ATOM 0 HA GLN A 92 8.788 -1.541 6.392 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.363 0.608 7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.985 0.515 8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.966 -1.361 9.708 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.255 -1.522 8.532 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.009 0.385 11.238 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.494 1.293 11.542 1.00 0.00 H new ATOM 1404 N PHE A 93 7.630 -3.323 7.670 1.00 0.00 N ATOM 1405 CA PHE A 93 6.997 -4.462 8.330 1.00 0.00 C ATOM 1406 C PHE A 93 7.879 -4.846 9.535 1.00 0.00 C ATOM 1407 O PHE A 93 8.909 -5.515 9.384 1.00 0.00 O ATOM 1408 CB PHE A 93 6.876 -5.646 7.325 1.00 0.00 C ATOM 1409 CG PHE A 93 6.116 -5.323 6.024 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.752 -4.671 4.960 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.779 -5.674 5.863 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.070 -4.387 3.791 1.00 0.00 C ATOM 1413 CE2 PHE A 93 4.101 -5.388 4.690 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.748 -4.746 3.657 1.00 0.00 C ATOM 0 H PHE A 93 8.453 -3.583 7.126 1.00 0.00 H new ATOM 0 HA PHE A 93 5.992 -4.214 8.672 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.879 -5.987 7.067 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.375 -6.476 7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.790 -4.386 5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.262 -6.178 6.666 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.576 -3.882 2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.063 -5.669 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.218 -4.524 2.742 1.00 0.00 H new ATOM 1424 N ALA A 94 7.511 -4.334 10.718 1.00 0.00 N ATOM 1425 CA ALA A 94 8.268 -4.548 11.962 1.00 0.00 C ATOM 1426 C ALA A 94 7.744 -5.783 12.712 1.00 0.00 C ATOM 1427 O ALA A 94 6.595 -5.808 13.141 1.00 0.00 O ATOM 1428 CB ALA A 94 8.181 -3.299 12.843 1.00 0.00 C ATOM 0 H ALA A 94 6.678 -3.758 10.841 1.00 0.00 H new ATOM 0 HA ALA A 94 9.313 -4.729 11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.743 -3.463 13.763 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.600 -2.447 12.308 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.138 -3.097 13.086 1.00 0.00 H new ATOM 1434 N SER A 95 8.601 -6.795 12.856 1.00 0.00 N ATOM 1435 CA SER A 95 8.265 -8.048 13.537 1.00 0.00 C ATOM 1436 C SER A 95 8.263 -7.848 15.069 1.00 0.00 C ATOM 1437 O SER A 95 9.263 -7.400 15.638 1.00 0.00 O ATOM 1438 CB SER A 95 9.276 -9.133 13.121 1.00 0.00 C ATOM 1439 OG SER A 95 9.296 -9.319 11.710 1.00 0.00 O ATOM 0 H SER A 95 9.557 -6.768 12.500 1.00 0.00 H new ATOM 0 HA SER A 95 7.264 -8.365 13.246 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.272 -8.854 13.466 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.022 -10.074 13.609 1.00 0.00 H new ATOM 0 HG SER A 95 9.949 -10.013 11.481 1.00 0.00 H new ATOM 1445 N GLU A 96 7.131 -8.166 15.719 1.00 0.00 N ATOM 1446 CA GLU A 96 6.942 -7.969 17.170 1.00 0.00 C ATOM 1447 C GLU A 96 6.115 -9.131 17.772 1.00 0.00 C ATOM 1448 O GLU A 96 5.496 -9.888 17.020 1.00 0.00 O ATOM 1449 CB GLU A 96 6.266 -6.597 17.447 1.00 0.00 C ATOM 1450 CG GLU A 96 4.824 -6.449 16.917 1.00 0.00 C ATOM 1451 CD GLU A 96 4.066 -5.291 17.581 1.00 0.00 C ATOM 1452 OE1 GLU A 96 4.293 -4.128 17.207 1.00 0.00 O ATOM 1453 OE2 GLU A 96 3.260 -5.544 18.503 1.00 0.00 O ATOM 0 H GLU A 96 6.318 -8.568 15.253 1.00 0.00 H new ATOM 0 HA GLU A 96 7.919 -7.967 17.653 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.258 -6.426 18.523 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.880 -5.813 17.004 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.852 -6.289 15.839 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.281 -7.379 17.088 1.00 0.00 H new ATOM 1460 N PRO A 97 6.104 -9.309 19.144 1.00 0.00 N ATOM 1461 CA PRO A 97 5.230 -10.312 19.823 1.00 0.00 C ATOM 1462 C PRO A 97 3.716 -10.181 19.482 1.00 0.00 C ATOM 1463 O PRO A 97 2.972 -11.166 19.571 1.00 0.00 O ATOM 1464 CB PRO A 97 5.488 -10.032 21.327 1.00 0.00 C ATOM 1465 CG PRO A 97 6.866 -9.451 21.382 1.00 0.00 C ATOM 1466 CD PRO A 97 6.989 -8.609 20.133 1.00 0.00 C ATOM 0 HA PRO A 97 5.469 -11.326 19.502 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.751 -9.338 21.731 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.422 -10.947 21.916 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.004 -8.848 22.279 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.623 -10.234 21.405 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.662 -7.584 20.307 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.020 -8.560 19.783 1.00 0.00 H new ATOM 1474 N GLY A 98 3.283 -8.966 19.091 1.00 0.00 N ATOM 1475 CA GLY A 98 1.880 -8.706 18.727 1.00 0.00 C ATOM 1476 C GLY A 98 1.518 -9.131 17.302 1.00 0.00 C ATOM 1477 O GLY A 98 0.333 -9.301 16.980 1.00 0.00 O ATOM 0 H GLY A 98 3.889 -8.148 19.020 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.230 -9.230 19.428 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.677 -7.641 18.840 1.00 0.00 H new ATOM 1481 N GLY A 99 2.545 -9.301 16.446 1.00 0.00 N ATOM 1482 CA GLY A 99 2.357 -9.680 15.037 1.00 0.00 C ATOM 1483 C GLY A 99 3.284 -8.912 14.106 1.00 0.00 C ATOM 1484 O GLY A 99 4.408 -8.577 14.490 1.00 0.00 O ATOM 0 H GLY A 99 3.522 -9.180 16.713 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.535 -10.749 14.923 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.322 -9.497 14.748 1.00 0.00 H new ATOM 1488 N THR A 100 2.838 -8.668 12.864 1.00 0.00 N ATOM 1489 CA THR A 100 3.555 -7.796 11.921 1.00 0.00 C ATOM 1490 C THR A 100 2.991 -6.370 12.017 1.00 0.00 C ATOM 1491 O THR A 100 1.862 -6.103 11.595 1.00 0.00 O ATOM 1492 CB THR A 100 3.446 -8.316 10.454 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.879 -9.678 10.408 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.301 -7.479 9.481 1.00 0.00 C ATOM 0 H THR A 100 1.978 -9.066 12.487 1.00 0.00 H new ATOM 0 HA THR A 100 4.611 -7.798 12.191 1.00 0.00 H new ATOM 0 HB THR A 100 2.405 -8.230 10.143 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.178 -10.257 10.775 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.196 -7.875 8.471 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.965 -6.442 9.501 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.347 -7.527 9.783 1.00 0.00 H new ATOM 1502 N TRP A 101 3.789 -5.470 12.594 1.00 0.00 N ATOM 1503 CA TRP A 101 3.447 -4.054 12.711 1.00 0.00 C ATOM 1504 C TRP A 101 3.818 -3.341 11.396 1.00 0.00 C ATOM 1505 O TRP A 101 4.961 -2.928 11.191 1.00 0.00 O ATOM 1506 CB TRP A 101 4.195 -3.455 13.925 1.00 0.00 C ATOM 1507 CG TRP A 101 3.781 -2.054 14.306 1.00 0.00 C ATOM 1508 CD1 TRP A 101 2.525 -1.517 14.258 1.00 0.00 C ATOM 1509 CD2 TRP A 101 4.634 -1.024 14.833 1.00 0.00 C ATOM 1510 NE1 TRP A 101 2.549 -0.231 14.714 1.00 0.00 N ATOM 1511 CE2 TRP A 101 3.829 0.099 15.066 1.00 0.00 C ATOM 1512 CE3 TRP A 101 5.998 -0.949 15.125 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 4.337 1.288 15.575 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 6.508 0.235 15.630 1.00 0.00 C ATOM 1515 CH2 TRP A 101 5.675 1.340 15.852 1.00 0.00 C ATOM 0 H TRP A 101 4.696 -5.706 12.995 1.00 0.00 H new ATOM 0 HA TRP A 101 2.378 -3.921 12.877 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.043 -4.108 14.784 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.264 -3.455 13.710 1.00 0.00 H new ATOM 0 HD1 TRP A 101 1.643 -2.034 13.910 1.00 0.00 H new ATOM 0 HE1 TRP A 101 1.740 0.387 14.782 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.643 -1.799 14.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 3.697 2.141 15.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 7.562 0.308 15.856 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.098 2.251 16.250 1.00 0.00 H new ATOM 1526 N VAL A 102 2.824 -3.228 10.508 1.00 0.00 N ATOM 1527 CA VAL A 102 2.994 -2.686 9.152 1.00 0.00 C ATOM 1528 C VAL A 102 2.784 -1.168 9.181 1.00 0.00 C ATOM 1529 O VAL A 102 1.749 -0.692 9.636 1.00 0.00 O ATOM 1530 CB VAL A 102 1.971 -3.344 8.154 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.147 -2.812 6.709 1.00 0.00 C ATOM 1532 CG2 VAL A 102 2.080 -4.884 8.204 1.00 0.00 C ATOM 0 H VAL A 102 1.866 -3.514 10.712 1.00 0.00 H new ATOM 0 HA VAL A 102 4.003 -2.914 8.809 1.00 0.00 H new ATOM 0 HB VAL A 102 0.968 -3.061 8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.421 -3.293 6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.989 -1.734 6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.155 -3.035 6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.365 -5.322 7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.090 -5.187 7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.862 -5.232 9.214 1.00 0.00 H new ATOM 1542 N GLN A 103 3.778 -0.439 8.664 1.00 0.00 N ATOM 1543 CA GLN A 103 3.847 1.021 8.754 1.00 0.00 C ATOM 1544 C GLN A 103 3.995 1.579 7.329 1.00 0.00 C ATOM 1545 O GLN A 103 5.089 1.581 6.772 1.00 0.00 O ATOM 1546 CB GLN A 103 5.089 1.407 9.613 1.00 0.00 C ATOM 1547 CG GLN A 103 5.213 0.626 10.945 1.00 0.00 C ATOM 1548 CD GLN A 103 6.594 0.715 11.591 1.00 0.00 C ATOM 1549 OE1 GLN A 103 7.295 1.709 11.462 1.00 0.00 O ATOM 1550 NE2 GLN A 103 7.002 -0.340 12.266 1.00 0.00 N ATOM 0 H GLN A 103 4.566 -0.852 8.166 1.00 0.00 H new ATOM 0 HA GLN A 103 2.950 1.431 9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.990 1.240 9.023 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.046 2.474 9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.470 1.005 11.647 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.975 -0.422 10.763 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.394 -1.154 12.356 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.926 -0.343 12.699 1.00 0.00 H new ATOM 1559 N GLU A 104 2.888 2.064 6.751 1.00 0.00 N ATOM 1560 CA GLU A 104 2.883 2.621 5.395 1.00 0.00 C ATOM 1561 C GLU A 104 3.117 4.139 5.486 1.00 0.00 C ATOM 1562 O GLU A 104 2.244 4.906 5.896 1.00 0.00 O ATOM 1563 CB GLU A 104 1.567 2.249 4.657 1.00 0.00 C ATOM 1564 CG GLU A 104 1.415 2.846 3.239 1.00 0.00 C ATOM 1565 CD GLU A 104 0.232 2.256 2.440 1.00 0.00 C ATOM 1566 OE1 GLU A 104 -0.938 2.573 2.762 1.00 0.00 O ATOM 1567 OE2 GLU A 104 0.469 1.472 1.491 1.00 0.00 O ATOM 0 H GLU A 104 1.976 2.081 7.208 1.00 0.00 H new ATOM 0 HA GLU A 104 3.690 2.192 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.504 1.163 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.724 2.578 5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.284 3.925 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.337 2.678 2.683 1.00 0.00 H new ATOM 1574 N THR A 105 4.342 4.533 5.160 1.00 0.00 N ATOM 1575 CA THR A 105 4.777 5.922 5.153 1.00 0.00 C ATOM 1576 C THR A 105 4.601 6.480 3.742 1.00 0.00 C ATOM 1577 O THR A 105 5.172 5.962 2.800 1.00 0.00 O ATOM 1578 CB THR A 105 6.263 6.037 5.598 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.409 5.461 6.897 1.00 0.00 O ATOM 1580 CG2 THR A 105 6.756 7.493 5.630 1.00 0.00 C ATOM 0 H THR A 105 5.076 3.880 4.887 1.00 0.00 H new ATOM 0 HA THR A 105 4.174 6.495 5.857 1.00 0.00 H new ATOM 0 HB THR A 105 6.868 5.503 4.866 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.344 5.529 7.182 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.799 7.517 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.669 7.929 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.150 8.067 6.331 1.00 0.00 H new ATOM 1588 N PHE A 106 3.817 7.542 3.610 1.00 0.00 N ATOM 1589 CA PHE A 106 3.513 8.173 2.324 1.00 0.00 C ATOM 1590 C PHE A 106 3.709 9.681 2.469 1.00 0.00 C ATOM 1591 O PHE A 106 3.380 10.254 3.516 1.00 0.00 O ATOM 1592 CB PHE A 106 2.059 7.827 1.865 1.00 0.00 C ATOM 1593 CG PHE A 106 0.966 8.138 2.899 1.00 0.00 C ATOM 1594 CD1 PHE A 106 0.645 7.217 3.897 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.277 9.357 2.885 1.00 0.00 C ATOM 1596 CE1 PHE A 106 -0.318 7.499 4.837 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.694 9.634 3.831 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.989 8.705 4.809 1.00 0.00 C ATOM 0 H PHE A 106 3.366 7.999 4.402 1.00 0.00 H new ATOM 0 HA PHE A 106 4.186 7.794 1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.841 8.378 0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.014 6.767 1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.161 6.269 3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.506 10.090 2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.551 6.773 5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.221 10.576 3.804 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.743 8.922 5.551 1.00 0.00 H new ATOM 1608 N ASP A 107 4.260 10.316 1.433 1.00 0.00 N ATOM 1609 CA ASP A 107 4.370 11.776 1.385 1.00 0.00 C ATOM 1610 C ASP A 107 2.986 12.360 1.056 1.00 0.00 C ATOM 1611 O ASP A 107 2.275 11.843 0.185 1.00 0.00 O ATOM 1612 CB ASP A 107 5.453 12.245 0.377 1.00 0.00 C ATOM 1613 CG ASP A 107 5.705 13.767 0.449 1.00 0.00 C ATOM 1614 OD1 ASP A 107 6.472 14.213 1.330 1.00 0.00 O ATOM 1615 OD2 ASP A 107 5.130 14.525 -0.355 1.00 0.00 O ATOM 0 H ASP A 107 4.638 9.841 0.613 1.00 0.00 H new ATOM 0 HA ASP A 107 4.695 12.145 2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.385 11.715 0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.145 11.978 -0.634 1.00 0.00 H new ATOM 1620 N ALA A 108 2.608 13.410 1.789 1.00 0.00 N ATOM 1621 CA ALA A 108 1.306 14.066 1.690 1.00 0.00 C ATOM 1622 C ALA A 108 1.352 15.192 0.658 1.00 0.00 C ATOM 1623 O ALA A 108 2.422 15.720 0.344 1.00 0.00 O ATOM 1624 CB ALA A 108 0.875 14.600 3.067 1.00 0.00 C ATOM 0 H ALA A 108 3.217 13.838 2.486 1.00 0.00 H new ATOM 0 HA ALA A 108 0.568 13.335 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.096 15.087 2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.805 13.772 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.611 15.320 3.425 1.00 0.00 H new ATOM 1630 N GLU A 109 0.176 15.528 0.127 1.00 0.00 N ATOM 1631 CA GLU A 109 0.005 16.565 -0.895 1.00 0.00 C ATOM 1632 C GLU A 109 -0.564 17.838 -0.253 1.00 0.00 C ATOM 1633 O GLU A 109 -1.693 17.839 0.223 1.00 0.00 O ATOM 1634 CB GLU A 109 -0.919 16.040 -2.033 1.00 0.00 C ATOM 1635 CG GLU A 109 -1.152 17.033 -3.190 1.00 0.00 C ATOM 1636 CD GLU A 109 0.151 17.652 -3.741 1.00 0.00 C ATOM 1637 OE1 GLU A 109 0.881 16.965 -4.485 1.00 0.00 O ATOM 1638 OE2 GLU A 109 0.465 18.816 -3.391 1.00 0.00 O ATOM 0 H GLU A 109 -0.700 15.081 0.398 1.00 0.00 H new ATOM 0 HA GLU A 109 0.972 16.811 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.487 15.126 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.884 15.772 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.672 16.520 -3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.808 17.833 -2.846 1.00 0.00 H new ATOM 1688 N THR A 113 -5.969 18.462 1.904 1.00 0.00 N ATOM 1689 CA THR A 113 -5.919 18.410 3.369 1.00 0.00 C ATOM 1690 C THR A 113 -5.250 17.086 3.831 1.00 0.00 C ATOM 1691 O THR A 113 -5.772 15.997 3.541 1.00 0.00 O ATOM 1692 CB THR A 113 -7.352 18.566 3.962 1.00 0.00 C ATOM 1693 OG1 THR A 113 -8.237 17.616 3.362 1.00 0.00 O ATOM 1694 CG2 THR A 113 -7.900 19.990 3.732 1.00 0.00 C ATOM 0 HA THR A 113 -5.315 19.238 3.740 1.00 0.00 H new ATOM 0 HB THR A 113 -7.290 18.387 5.035 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.907 17.380 2.470 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.901 20.068 4.157 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.244 20.715 4.214 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.943 20.195 2.662 1.00 0.00 H new ATOM 1702 N PRO A 114 -4.062 17.168 4.532 1.00 0.00 N ATOM 1703 CA PRO A 114 -3.237 15.987 4.887 1.00 0.00 C ATOM 1704 C PRO A 114 -3.969 14.957 5.787 1.00 0.00 C ATOM 1705 O PRO A 114 -3.756 13.755 5.632 1.00 0.00 O ATOM 1706 CB PRO A 114 -2.006 16.607 5.599 1.00 0.00 C ATOM 1707 CG PRO A 114 -2.457 17.955 6.060 1.00 0.00 C ATOM 1708 CD PRO A 114 -3.426 18.433 5.013 1.00 0.00 C ATOM 0 HA PRO A 114 -2.979 15.401 4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.685 15.991 6.439 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -1.157 16.687 4.920 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.934 17.896 7.039 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -1.614 18.639 6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.162 19.120 5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.918 18.961 4.206 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.823 15.434 6.714 1.00 0.00 N ATOM 1717 CA ALA A 115 -5.618 14.553 7.610 1.00 0.00 C ATOM 1718 C ALA A 115 -6.605 13.675 6.811 1.00 0.00 C ATOM 1719 O ALA A 115 -6.805 12.499 7.144 1.00 0.00 O ATOM 1720 CB ALA A 115 -6.352 15.391 8.669 1.00 0.00 C ATOM 0 H ALA A 115 -4.984 16.429 6.867 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.929 13.880 8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.930 14.733 9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.625 15.941 9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -7.023 16.094 8.176 1.00 0.00 H new ATOM 1726 N GLN A 116 -7.193 14.259 5.745 1.00 0.00 N ATOM 1727 CA GLN A 116 -8.107 13.539 4.824 1.00 0.00 C ATOM 1728 C GLN A 116 -7.362 12.394 4.117 1.00 0.00 C ATOM 1729 O GLN A 116 -7.878 11.276 3.998 1.00 0.00 O ATOM 1730 CB GLN A 116 -8.689 14.528 3.777 1.00 0.00 C ATOM 1731 CG GLN A 116 -9.483 13.881 2.618 1.00 0.00 C ATOM 1732 CD GLN A 116 -9.982 14.883 1.569 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -9.373 15.924 1.346 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -11.074 14.553 0.897 1.00 0.00 N ATOM 0 H GLN A 116 -7.050 15.238 5.497 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.926 13.113 5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.342 15.233 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.868 15.106 3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.851 13.141 2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.338 13.346 3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.557 13.680 1.107 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -11.432 15.172 0.170 1.00 0.00 H new ATOM 1743 N GLN A 117 -6.139 12.705 3.663 1.00 0.00 N ATOM 1744 CA GLN A 117 -5.268 11.729 2.981 1.00 0.00 C ATOM 1745 C GLN A 117 -4.919 10.572 3.919 1.00 0.00 C ATOM 1746 O GLN A 117 -5.015 9.412 3.536 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.978 12.410 2.501 1.00 0.00 C ATOM 1748 CG GLN A 117 -4.216 13.718 1.738 1.00 0.00 C ATOM 1749 CD GLN A 117 -2.928 14.427 1.374 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -1.925 13.788 1.076 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -2.938 15.742 1.458 1.00 0.00 N ATOM 0 H GLN A 117 -5.725 13.633 3.756 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.807 11.335 2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -3.343 12.614 3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -3.431 11.720 1.859 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.778 13.506 0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.831 14.381 2.346 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.797 16.230 1.710 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.086 16.271 1.271 1.00 0.00 H new ATOM 1760 N GLN A 118 -4.533 10.920 5.161 1.00 0.00 N ATOM 1761 CA GLN A 118 -4.195 9.947 6.207 1.00 0.00 C ATOM 1762 C GLN A 118 -5.367 8.982 6.452 1.00 0.00 C ATOM 1763 O GLN A 118 -5.158 7.786 6.548 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.795 10.664 7.522 1.00 0.00 C ATOM 1765 CG GLN A 118 -3.445 9.704 8.684 1.00 0.00 C ATOM 1766 CD GLN A 118 -3.055 10.412 9.984 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -2.505 11.505 9.973 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -3.331 9.783 11.113 1.00 0.00 N ATOM 0 H GLN A 118 -4.448 11.890 5.465 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.339 9.367 5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.937 11.308 7.326 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.615 11.311 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.301 9.058 8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.623 9.059 8.373 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -3.790 8.873 11.090 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -3.085 10.208 12.007 1.00 0.00 H new ATOM 1777 N ALA A 119 -6.594 9.526 6.497 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.834 8.738 6.696 1.00 0.00 C ATOM 1779 C ALA A 119 -8.085 7.767 5.517 1.00 0.00 C ATOM 1780 O ALA A 119 -8.556 6.636 5.714 1.00 0.00 O ATOM 1781 CB ALA A 119 -9.029 9.689 6.885 1.00 0.00 C ATOM 0 H ALA A 119 -6.761 10.527 6.397 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.715 8.132 7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.938 9.106 7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.858 10.319 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.138 10.316 6.000 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.748 8.232 4.297 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.919 7.446 3.073 1.00 0.00 C ATOM 1789 C GLY A 120 -6.969 6.264 3.002 1.00 0.00 C ATOM 1790 O GLY A 120 -7.410 5.113 2.938 1.00 0.00 O ATOM 0 H GLY A 120 -7.352 9.159 4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.946 7.086 3.017 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.759 8.089 2.207 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.660 6.556 3.036 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.606 5.522 3.020 1.00 0.00 C ATOM 1796 C TRP A 121 -4.770 4.542 4.199 1.00 0.00 C ATOM 1797 O TRP A 121 -4.598 3.331 4.022 1.00 0.00 O ATOM 1798 CB TRP A 121 -3.200 6.153 3.065 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.780 6.886 1.811 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -3.226 8.099 1.381 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.797 6.463 0.852 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -2.594 8.453 0.227 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.714 7.467 -0.126 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.983 5.333 0.725 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.850 7.382 -1.216 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 -0.124 5.245 -0.356 1.00 0.00 C ATOM 1807 CH2 TRP A 121 -0.064 6.266 -1.316 1.00 0.00 C ATOM 0 H TRP A 121 -5.300 7.510 3.075 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.713 4.971 2.085 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -3.158 6.848 3.903 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -2.473 5.366 3.267 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.974 8.695 1.883 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -2.752 9.317 -0.292 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -1.024 4.542 1.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -0.802 8.168 -1.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 0.510 4.377 -0.462 1.00 0.00 H new ATOM 0 HH2 TRP A 121 0.615 6.170 -2.150 1.00 0.00 H new ATOM 1818 N GLN A 122 -5.113 5.079 5.399 1.00 0.00 N ATOM 1819 CA GLN A 122 -5.330 4.257 6.611 1.00 0.00 C ATOM 1820 C GLN A 122 -6.508 3.303 6.373 1.00 0.00 C ATOM 1821 O GLN A 122 -6.474 2.182 6.840 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.575 5.136 7.885 1.00 0.00 C ATOM 1823 CG GLN A 122 -5.315 4.444 9.259 1.00 0.00 C ATOM 1824 CD GLN A 122 -6.359 3.390 9.667 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -7.541 3.523 9.361 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -5.920 2.324 10.318 1.00 0.00 N ATOM 0 H GLN A 122 -5.244 6.079 5.549 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.424 3.681 6.798 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.939 6.019 7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -6.607 5.485 7.867 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.334 3.969 9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.274 5.211 10.033 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -4.932 2.244 10.557 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -6.570 1.583 10.580 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.538 3.775 5.647 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.675 2.931 5.267 1.00 0.00 C ATOM 1837 C GLY A 123 -8.268 1.741 4.394 1.00 0.00 C ATOM 1838 O GLY A 123 -8.813 0.647 4.534 1.00 0.00 O ATOM 0 H GLY A 123 -7.602 4.737 5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.165 2.563 6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.406 3.535 4.731 1.00 0.00 H new ATOM 1842 N ILE A 124 -7.284 1.968 3.510 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.739 0.937 2.597 1.00 0.00 C ATOM 1844 C ILE A 124 -5.905 -0.113 3.384 1.00 0.00 C ATOM 1845 O ILE A 124 -6.031 -1.327 3.152 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.857 1.630 1.488 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.671 2.753 0.758 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -5.311 0.607 0.468 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.850 3.654 -0.146 1.00 0.00 C ATOM 0 H ILE A 124 -6.837 2.879 3.404 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.567 0.413 2.119 1.00 0.00 H new ATOM 0 HB ILE A 124 -5.001 2.085 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.456 2.285 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -7.165 3.370 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.709 1.124 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.695 -0.129 0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -6.143 0.103 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.500 4.398 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -5.082 4.157 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -5.377 3.055 -0.924 1.00 0.00 H new ATOM 1861 N LEU A 125 -5.088 0.375 4.334 1.00 0.00 N ATOM 1862 CA LEU A 125 -4.208 -0.471 5.174 1.00 0.00 C ATOM 1863 C LEU A 125 -5.035 -1.278 6.198 1.00 0.00 C ATOM 1864 O LEU A 125 -4.748 -2.447 6.464 1.00 0.00 O ATOM 1865 CB LEU A 125 -3.160 0.412 5.904 1.00 0.00 C ATOM 1866 CG LEU A 125 -2.113 -0.352 6.781 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -1.208 -1.268 5.916 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -1.284 0.631 7.643 1.00 0.00 C ATOM 0 H LEU A 125 -5.016 1.370 4.545 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.688 -1.177 4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.622 0.996 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.691 1.120 6.541 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.661 -1.001 7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.493 -1.783 6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.824 -2.002 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.670 -0.663 5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.565 0.072 8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.753 1.326 6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.950 1.188 8.302 1.00 0.00 H new ATOM 1880 N ASP A 126 -6.041 -0.603 6.776 1.00 0.00 N ATOM 1881 CA ASP A 126 -7.035 -1.193 7.699 1.00 0.00 C ATOM 1882 C ASP A 126 -7.851 -2.272 6.983 1.00 0.00 C ATOM 1883 O ASP A 126 -8.205 -3.283 7.580 1.00 0.00 O ATOM 1884 CB ASP A 126 -7.979 -0.086 8.255 1.00 0.00 C ATOM 1885 CG ASP A 126 -9.091 -0.608 9.181 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -8.794 -0.986 10.323 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -10.260 -0.663 8.762 1.00 0.00 O ATOM 0 H ASP A 126 -6.193 0.392 6.613 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.505 -1.652 8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.381 0.644 8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.437 0.439 7.417 1.00 0.00 H new ATOM 1892 N ASN A 127 -8.138 -2.038 5.692 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.877 -2.997 4.850 1.00 0.00 C ATOM 1894 C ASN A 127 -8.015 -4.243 4.582 1.00 0.00 C ATOM 1895 O ASN A 127 -8.535 -5.360 4.548 1.00 0.00 O ATOM 1896 CB ASN A 127 -9.310 -2.343 3.519 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.267 -3.215 2.691 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -9.846 -4.033 1.875 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -11.566 -3.037 2.896 1.00 0.00 N ATOM 0 H ASN A 127 -7.867 -1.185 5.204 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.777 -3.301 5.385 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.793 -1.389 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.423 -2.126 2.924 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -12.245 -3.586 2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -11.885 -2.351 3.580 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.692 -4.030 4.403 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.729 -5.125 4.210 1.00 0.00 C ATOM 1908 C PHE A 128 -5.585 -5.949 5.502 1.00 0.00 C ATOM 1909 O PHE A 128 -5.621 -7.172 5.443 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.343 -4.598 3.742 1.00 0.00 C ATOM 1911 CG PHE A 128 -3.285 -5.705 3.553 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -3.593 -6.880 2.859 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -2.000 -5.572 4.059 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -2.654 -7.872 2.684 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -1.060 -6.572 3.885 1.00 0.00 C ATOM 1916 CZ PHE A 128 -1.386 -7.717 3.196 1.00 0.00 C ATOM 0 H PHE A 128 -6.270 -3.102 4.389 1.00 0.00 H new ATOM 0 HA PHE A 128 -6.118 -5.770 3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.468 -4.063 2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.974 -3.877 4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -4.585 -7.011 2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.730 -4.675 4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -2.913 -8.771 2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.067 -6.453 4.292 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.648 -8.493 3.057 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.434 -5.268 6.655 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.338 -5.921 7.981 1.00 0.00 C ATOM 1928 C LYS A 129 -6.586 -6.788 8.202 1.00 0.00 C ATOM 1929 O LYS A 129 -6.477 -7.982 8.468 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.182 -4.830 9.101 1.00 0.00 C ATOM 1931 CG LYS A 129 -4.876 -5.336 10.548 1.00 0.00 C ATOM 1932 CD LYS A 129 -6.116 -5.874 11.305 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.813 -6.277 12.748 1.00 0.00 C ATOM 1934 NZ LYS A 129 -4.827 -7.379 12.825 1.00 0.00 N ATOM 0 H LYS A 129 -5.375 -4.251 6.696 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.460 -6.565 8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.383 -4.151 8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -6.101 -4.245 9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -4.126 -6.125 10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.439 -4.519 11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.894 -5.110 11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -6.514 -6.736 10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -5.433 -5.413 13.293 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -6.736 -6.583 13.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.143 -8.079 13.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -4.743 -7.835 11.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -3.902 -6.998 13.109 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.753 -6.150 8.032 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.076 -6.779 8.186 1.00 0.00 C ATOM 1950 C ARG A 130 -9.218 -7.994 7.263 1.00 0.00 C ATOM 1951 O ARG A 130 -9.776 -9.029 7.658 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.177 -5.738 7.865 1.00 0.00 C ATOM 1953 CG ARG A 130 -11.622 -6.270 7.949 1.00 0.00 C ATOM 1954 CD ARG A 130 -12.669 -5.215 7.570 1.00 0.00 C ATOM 1955 NE ARG A 130 -14.034 -5.762 7.655 1.00 0.00 N ATOM 1956 CZ ARG A 130 -15.165 -5.080 7.428 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -15.129 -3.796 7.096 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -16.334 -5.703 7.551 1.00 0.00 N ATOM 0 H ARG A 130 -7.806 -5.163 7.779 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.183 -7.124 9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.074 -4.899 8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -10.007 -5.349 6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.726 -7.131 7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -11.817 -6.620 8.963 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.578 -4.354 8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.480 -4.859 6.557 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.126 -6.746 7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.233 -3.316 7.011 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -15.997 -3.289 6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -16.362 -6.688 7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -17.203 -5.196 7.381 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.681 -7.846 6.042 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.673 -8.905 5.033 1.00 0.00 C ATOM 1974 C TYR A 131 -7.901 -10.131 5.537 1.00 0.00 C ATOM 1975 O TYR A 131 -8.389 -11.250 5.431 1.00 0.00 O ATOM 1976 CB TYR A 131 -8.080 -8.394 3.686 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.825 -9.518 2.675 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.889 -10.153 2.028 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.531 -9.990 2.418 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.669 -11.198 1.164 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -6.318 -11.043 1.561 1.00 0.00 C ATOM 1982 CZ TYR A 131 -7.384 -11.637 0.940 1.00 0.00 C ATOM 1983 OH TYR A 131 -7.163 -12.691 0.107 1.00 0.00 O ATOM 0 H TYR A 131 -8.239 -6.982 5.730 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.706 -9.202 4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.764 -7.667 3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.144 -7.872 3.883 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.899 -9.817 2.210 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.688 -9.519 2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -9.500 -11.673 0.663 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -5.315 -11.400 1.378 1.00 0.00 H new ATOM 0 HH TYR A 131 -6.201 -12.873 0.057 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.702 -9.898 6.077 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.818 -10.976 6.543 1.00 0.00 C ATOM 1995 C VAL A 132 -6.454 -11.739 7.726 1.00 0.00 C ATOM 1996 O VAL A 132 -6.282 -12.949 7.853 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.404 -10.416 6.949 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.474 -11.544 7.431 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.747 -9.636 5.786 1.00 0.00 C ATOM 0 H VAL A 132 -6.316 -8.963 6.204 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.684 -11.673 5.716 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.559 -9.723 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.505 -11.125 7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.915 -12.034 8.299 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.342 -12.273 6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.772 -9.264 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.622 -10.298 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.383 -8.796 5.506 1.00 0.00 H new ATOM 2009 N GLU A 133 -7.211 -11.020 8.569 1.00 0.00 N ATOM 2010 CA GLU A 133 -7.835 -11.606 9.770 1.00 0.00 C ATOM 2011 C GLU A 133 -9.096 -12.422 9.413 1.00 0.00 C ATOM 2012 O GLU A 133 -9.367 -13.463 10.023 1.00 0.00 O ATOM 2013 CB GLU A 133 -8.200 -10.502 10.794 1.00 0.00 C ATOM 2014 CG GLU A 133 -7.049 -9.545 11.154 1.00 0.00 C ATOM 2015 CD GLU A 133 -5.732 -10.240 11.540 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -5.740 -11.064 12.469 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -4.679 -9.931 10.933 1.00 0.00 O ATOM 0 H GLU A 133 -7.408 -10.027 8.442 1.00 0.00 H new ATOM 0 HA GLU A 133 -7.105 -12.281 10.216 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -9.028 -9.917 10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -8.557 -10.978 11.708 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -6.862 -8.888 10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -7.367 -8.912 11.983 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.864 -11.936 8.415 1.00 0.00 N ATOM 2025 CA ALA A 134 -11.168 -12.527 8.040 1.00 0.00 C ATOM 2026 C ALA A 134 -10.972 -13.712 7.072 1.00 0.00 C ATOM 2027 O ALA A 134 -11.586 -14.772 7.236 1.00 0.00 O ATOM 2028 CB ALA A 134 -12.082 -11.450 7.436 1.00 0.00 C ATOM 0 H ALA A 134 -9.601 -11.129 7.850 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.651 -12.915 8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.039 -11.896 7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -12.245 -10.659 8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -11.611 -11.030 6.547 1.00 0.00 H new ATOM 2034 N ALA A 135 -10.101 -13.518 6.072 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.720 -14.571 5.100 1.00 0.00 C ATOM 2036 C ALA A 135 -8.773 -15.597 5.751 1.00 0.00 C ATOM 2037 O ALA A 135 -8.731 -16.770 5.354 1.00 0.00 O ATOM 2038 CB ALA A 135 -9.062 -13.942 3.856 1.00 0.00 C ATOM 0 H ALA A 135 -9.635 -12.626 5.908 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.625 -15.092 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -8.788 -14.728 3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.764 -13.257 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -8.168 -13.395 4.155 1.00 0.00 H new ATOM 2044 N GLY A 136 -8.001 -15.128 6.744 1.00 0.00 N ATOM 2045 CA GLY A 136 -7.060 -15.968 7.479 1.00 0.00 C ATOM 2046 C GLY A 136 -5.679 -15.933 6.859 1.00 0.00 C ATOM 2047 O GLY A 136 -4.724 -15.481 7.490 1.00 0.00 O ATOM 0 H GLY A 136 -8.016 -14.157 7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.003 -15.632 8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -7.425 -16.995 7.497 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.598 -16.408 5.601 1.00 0.00 N ATOM 2052 CA LEU A 137 -4.340 -16.521 4.824 1.00 0.00 C ATOM 2053 C LEU A 137 -3.381 -17.550 5.468 1.00 0.00 C ATOM 2054 O LEU A 137 -2.184 -17.486 5.228 1.00 0.00 O ATOM 2055 CB LEU A 137 -3.638 -15.132 4.633 1.00 0.00 C ATOM 2056 CG LEU A 137 -4.422 -14.064 3.805 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -3.630 -12.740 3.716 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -4.782 -14.597 2.396 1.00 0.00 C ATOM 0 H LEU A 137 -6.416 -16.730 5.084 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.606 -16.881 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.431 -14.715 5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.675 -15.300 4.150 1.00 0.00 H new ATOM 0 HG LEU A 137 -5.356 -13.860 4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -4.199 -12.014 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -3.461 -12.349 4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -2.671 -12.922 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -5.327 -13.830 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -3.868 -14.850 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -5.405 -15.487 2.492 1.00 0.00 H new