USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 456 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 NoAdj-H: X 118 HIS HD1 : X 118 HIS ND1 : X 2 ZNZN :(H bumps) USER MOD NoAdj-H: X 154 HIS HD1 : X 154 HIS ND1 : X 1 ZNZN :(H bumps) USER MOD Single : X 142 GLN : amide:sc= -0.994 K(o=-0.99,f=-2.8!) USER MOD Single : X 148 ASN : amide:sc= 0.501 K(o=0.5,f=-5.6!) USER MOD Single : X 150 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : X 152 THR OG1 : rot 180:sc= 0.22 USER MOD Single : X 153 CYS SG : rot -95:sc= -0.0302 USER MOD Single : X 155 SER OG : rot 180:sc= 0 USER MOD Single : X 159 SER OG : rot 180:sc= 0 USER MOD Single : X 162 GLN : amide:sc=-0.00589 X(o=-0.0059,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO X 108 19.982 -18.179 -4.889 1.00 0.00 N ATOM 2 CA PRO X 108 19.431 -17.788 -6.220 1.00 0.00 C ATOM 3 C PRO X 108 18.824 -18.910 -7.081 1.00 0.00 C ATOM 4 O PRO X 108 18.856 -18.813 -8.296 1.00 0.00 O ATOM 5 CB PRO X 108 20.599 -17.143 -6.956 1.00 0.00 C ATOM 6 CG PRO X 108 21.373 -16.520 -5.808 1.00 0.00 C ATOM 7 CD PRO X 108 21.329 -17.597 -4.717 1.00 0.00 C ATOM 0 HA PRO X 108 18.577 -17.134 -6.046 1.00 0.00 H new ATOM 0 HB2 PRO X 108 21.194 -17.875 -7.502 1.00 0.00 H new ATOM 0 HB3 PRO X 108 20.267 -16.398 -7.679 1.00 0.00 H new ATOM 0 HG2 PRO X 108 22.397 -16.283 -6.097 1.00 0.00 H new ATOM 0 HG3 PRO X 108 20.913 -15.590 -5.472 1.00 0.00 H new ATOM 0 HD2 PRO X 108 22.112 -18.343 -4.852 1.00 0.00 H new ATOM 0 HD3 PRO X 108 21.462 -17.171 -3.722 1.00 0.00 H new ATOM 15 N ARG X 109 18.301 -19.978 -6.471 1.00 0.00 N ATOM 16 CA ARG X 109 17.723 -21.095 -7.252 1.00 0.00 C ATOM 17 C ARG X 109 16.594 -20.656 -8.198 1.00 0.00 C ATOM 18 O ARG X 109 16.690 -20.831 -9.399 1.00 0.00 O ATOM 19 CB ARG X 109 17.224 -22.215 -6.323 1.00 0.00 C ATOM 20 CG ARG X 109 16.559 -23.386 -7.071 1.00 0.00 C ATOM 21 CD ARG X 109 16.106 -24.487 -6.109 1.00 0.00 C ATOM 22 NE ARG X 109 15.541 -25.639 -6.823 1.00 0.00 N ATOM 23 CZ ARG X 109 14.280 -25.738 -7.217 1.00 0.00 C ATOM 24 NH1 ARG X 109 13.425 -24.782 -6.975 1.00 0.00 N ATOM 25 NH2 ARG X 109 13.880 -26.804 -7.857 1.00 0.00 N ATOM 0 H ARG X 109 18.262 -20.100 -5.459 1.00 0.00 H new ATOM 0 HA ARG X 109 18.532 -21.473 -7.877 1.00 0.00 H new ATOM 0 HB2 ARG X 109 18.065 -22.596 -5.743 1.00 0.00 H new ATOM 0 HB3 ARG X 109 16.511 -21.796 -5.613 1.00 0.00 H new ATOM 0 HG2 ARG X 109 15.701 -23.018 -7.633 1.00 0.00 H new ATOM 0 HG3 ARG X 109 17.260 -23.801 -7.795 1.00 0.00 H new ATOM 0 HD2 ARG X 109 16.953 -24.813 -5.506 1.00 0.00 H new ATOM 0 HD3 ARG X 109 15.362 -24.085 -5.422 1.00 0.00 H new ATOM 0 HE ARG X 109 16.164 -26.419 -7.031 1.00 0.00 H new ATOM 0 HH11 ARG X 109 13.724 -23.944 -6.476 1.00 0.00 H new ATOM 0 HH12 ARG X 109 12.457 -24.873 -7.285 1.00 0.00 H new ATOM 0 HH21 ARG X 109 14.538 -27.558 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG X 109 12.910 -26.882 -8.161 1.00 0.00 H new ATOM 39 N VAL X 110 15.523 -20.106 -7.646 1.00 0.00 N ATOM 40 CA VAL X 110 14.394 -19.648 -8.468 1.00 0.00 C ATOM 41 C VAL X 110 14.649 -18.158 -8.716 1.00 0.00 C ATOM 42 O VAL X 110 15.490 -17.570 -8.045 1.00 0.00 O ATOM 43 CB VAL X 110 13.026 -19.934 -7.755 1.00 0.00 C ATOM 44 CG1 VAL X 110 12.901 -19.165 -6.458 1.00 0.00 C ATOM 45 CG2 VAL X 110 11.842 -19.627 -8.662 1.00 0.00 C ATOM 0 H VAL X 110 15.404 -19.963 -6.643 1.00 0.00 H new ATOM 0 HA VAL X 110 14.324 -20.181 -9.416 1.00 0.00 H new ATOM 0 HB VAL X 110 13.012 -20.999 -7.525 1.00 0.00 H new ATOM 0 HG11 VAL X 110 11.941 -19.389 -5.993 1.00 0.00 H new ATOM 0 HG12 VAL X 110 13.707 -19.455 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL X 110 12.965 -18.096 -6.661 1.00 0.00 H new ATOM 0 HG21 VAL X 110 10.913 -19.838 -8.132 1.00 0.00 H new ATOM 0 HG22 VAL X 110 11.866 -18.575 -8.948 1.00 0.00 H new ATOM 0 HG23 VAL X 110 11.898 -20.248 -9.556 1.00 0.00 H new ATOM 55 N LEU X 111 13.942 -17.544 -9.658 1.00 0.00 N ATOM 56 CA LEU X 111 14.138 -16.122 -9.964 1.00 0.00 C ATOM 57 C LEU X 111 13.998 -15.217 -8.738 1.00 0.00 C ATOM 58 O LEU X 111 14.833 -14.366 -8.507 1.00 0.00 O ATOM 59 CB LEU X 111 13.152 -15.649 -11.049 1.00 0.00 C ATOM 60 CG LEU X 111 13.313 -16.133 -12.505 1.00 0.00 C ATOM 61 CD1 LEU X 111 14.622 -15.626 -13.068 1.00 0.00 C ATOM 62 CD2 LEU X 111 13.236 -17.641 -12.680 1.00 0.00 C ATOM 0 H LEU X 111 13.229 -18.003 -10.225 1.00 0.00 H new ATOM 0 HA LEU X 111 15.163 -16.039 -10.326 1.00 0.00 H new ATOM 0 HB2 LEU X 111 12.151 -15.932 -10.723 1.00 0.00 H new ATOM 0 HB3 LEU X 111 13.186 -14.560 -11.064 1.00 0.00 H new ATOM 0 HG LEU X 111 12.463 -15.723 -13.051 1.00 0.00 H new ATOM 0 HD11 LEU X 111 14.733 -15.969 -14.097 1.00 0.00 H new ATOM 0 HD12 LEU X 111 14.630 -14.536 -13.046 1.00 0.00 H new ATOM 0 HD13 LEU X 111 15.448 -16.006 -12.467 1.00 0.00 H new ATOM 0 HD21 LEU X 111 13.359 -17.892 -13.734 1.00 0.00 H new ATOM 0 HD22 LEU X 111 14.027 -18.116 -12.099 1.00 0.00 H new ATOM 0 HD23 LEU X 111 12.267 -17.999 -12.333 1.00 0.00 H new ATOM 74 N ALA X 112 12.950 -15.410 -7.952 1.00 0.00 N ATOM 75 CA ALA X 112 12.742 -14.604 -6.743 1.00 0.00 C ATOM 76 C ALA X 112 13.945 -14.688 -5.787 1.00 0.00 C ATOM 77 O ALA X 112 14.421 -13.690 -5.256 1.00 0.00 O ATOM 78 CB ALA X 112 11.473 -15.067 -6.037 1.00 0.00 C ATOM 0 H ALA X 112 12.230 -16.112 -8.122 1.00 0.00 H new ATOM 0 HA ALA X 112 12.638 -13.561 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA X 112 11.317 -14.469 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA X 112 10.620 -14.947 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA X 112 11.572 -16.117 -5.761 1.00 0.00 H new ATOM 84 N GLU X 113 14.421 -15.907 -5.578 1.00 0.00 N ATOM 85 CA GLU X 113 15.552 -16.186 -4.686 1.00 0.00 C ATOM 86 C GLU X 113 16.849 -15.456 -5.110 1.00 0.00 C ATOM 87 O GLU X 113 17.787 -15.340 -4.329 1.00 0.00 O ATOM 88 CB GLU X 113 15.747 -17.710 -4.604 1.00 0.00 C ATOM 89 CG GLU X 113 16.812 -18.182 -3.635 1.00 0.00 C ATOM 90 CD GLU X 113 16.481 -17.807 -2.208 1.00 0.00 C ATOM 91 OE1 GLU X 113 15.359 -18.128 -1.786 1.00 0.00 O ATOM 92 OE2 GLU X 113 17.260 -17.023 -1.636 1.00 0.00 O ATOM 0 H GLU X 113 14.035 -16.740 -6.023 1.00 0.00 H new ATOM 0 HA GLU X 113 15.320 -15.793 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU X 113 14.797 -18.165 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU X 113 15.996 -18.081 -5.598 1.00 0.00 H new ATOM 0 HG2 GLU X 113 16.918 -19.264 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU X 113 17.773 -17.747 -3.911 1.00 0.00 H new ATOM 99 N ARG X 114 16.910 -14.967 -6.347 1.00 0.00 N ATOM 100 CA ARG X 114 18.094 -14.230 -6.825 1.00 0.00 C ATOM 101 C ARG X 114 18.342 -12.992 -5.968 1.00 0.00 C ATOM 102 O ARG X 114 19.474 -12.567 -5.809 1.00 0.00 O ATOM 103 CB ARG X 114 17.943 -13.838 -8.301 1.00 0.00 C ATOM 104 CG ARG X 114 17.906 -15.046 -9.250 1.00 0.00 C ATOM 105 CD ARG X 114 17.608 -14.665 -10.704 1.00 0.00 C ATOM 106 NE ARG X 114 18.633 -13.793 -11.283 1.00 0.00 N ATOM 107 CZ ARG X 114 18.458 -12.503 -11.529 1.00 0.00 C ATOM 108 NH1 ARG X 114 17.321 -11.928 -11.272 1.00 0.00 N ATOM 109 NH2 ARG X 114 19.426 -11.799 -12.034 1.00 0.00 N ATOM 0 H ARG X 114 16.164 -15.063 -7.036 1.00 0.00 H new ATOM 0 HA ARG X 114 18.956 -14.891 -6.736 1.00 0.00 H new ATOM 0 HB2 ARG X 114 17.027 -13.260 -8.424 1.00 0.00 H new ATOM 0 HB3 ARG X 114 18.771 -13.188 -8.584 1.00 0.00 H new ATOM 0 HG2 ARG X 114 18.864 -15.563 -9.206 1.00 0.00 H new ATOM 0 HG3 ARG X 114 17.148 -15.749 -8.903 1.00 0.00 H new ATOM 0 HD2 ARG X 114 17.528 -15.572 -11.303 1.00 0.00 H new ATOM 0 HD3 ARG X 114 16.641 -14.164 -10.753 1.00 0.00 H new ATOM 0 HE ARG X 114 19.538 -14.205 -11.511 1.00 0.00 H new ATOM 0 HH11 ARG X 114 16.553 -12.471 -10.877 1.00 0.00 H new ATOM 0 HH12 ARG X 114 17.197 -10.934 -11.465 1.00 0.00 H new ATOM 0 HH21 ARG X 114 20.322 -12.239 -12.242 1.00 0.00 H new ATOM 0 HH22 ARG X 114 19.290 -10.806 -12.223 1.00 0.00 H new ATOM 123 N GLY X 115 17.272 -12.427 -5.425 1.00 0.00 N ATOM 124 CA GLY X 115 17.378 -11.246 -4.577 1.00 0.00 C ATOM 125 C GLY X 115 17.381 -9.941 -5.348 1.00 0.00 C ATOM 126 O GLY X 115 17.456 -8.871 -4.768 1.00 0.00 O ATOM 0 H GLY X 115 16.320 -12.767 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY X 115 16.546 -11.240 -3.872 1.00 0.00 H new ATOM 0 HA3 GLY X 115 18.293 -11.313 -3.989 1.00 0.00 H new ATOM 130 N GLU X 116 17.303 -10.047 -6.664 1.00 0.00 N ATOM 131 CA GLU X 116 17.271 -8.882 -7.551 1.00 0.00 C ATOM 132 C GLU X 116 15.907 -8.185 -7.434 1.00 0.00 C ATOM 133 O GLU X 116 14.938 -8.589 -8.075 1.00 0.00 O ATOM 134 CB GLU X 116 17.555 -9.336 -8.983 1.00 0.00 C ATOM 135 CG GLU X 116 17.543 -8.230 -10.030 1.00 0.00 C ATOM 136 CD GLU X 116 17.875 -8.777 -11.407 1.00 0.00 C ATOM 137 OE1 GLU X 116 19.065 -9.104 -11.593 1.00 0.00 O ATOM 138 OE2 GLU X 116 16.921 -9.272 -12.042 1.00 0.00 O ATOM 0 H GLU X 116 17.260 -10.941 -7.154 1.00 0.00 H new ATOM 0 HA GLU X 116 18.038 -8.162 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU X 116 18.529 -9.825 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU X 116 16.815 -10.086 -9.262 1.00 0.00 H new ATOM 0 HG2 GLU X 116 16.562 -7.755 -10.051 1.00 0.00 H new ATOM 0 HG3 GLU X 116 18.264 -7.459 -9.758 1.00 0.00 H new ATOM 145 N GLY X 117 15.828 -7.164 -6.593 1.00 0.00 N ATOM 146 CA GLY X 117 14.571 -6.461 -6.396 1.00 0.00 C ATOM 147 C GLY X 117 13.717 -7.227 -5.405 1.00 0.00 C ATOM 148 O GLY X 117 14.123 -8.296 -4.938 1.00 0.00 O ATOM 0 H GLY X 117 16.610 -6.808 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY X 117 14.759 -5.453 -6.028 1.00 0.00 H new ATOM 0 HA3 GLY X 117 14.045 -6.361 -7.345 1.00 0.00 H new ATOM 152 N HIS X 118 12.549 -6.702 -5.049 1.00 0.00 N ATOM 153 CA HIS X 118 11.689 -7.395 -4.085 1.00 0.00 C ATOM 154 C HIS X 118 11.385 -8.838 -4.450 1.00 0.00 C ATOM 155 O HIS X 118 10.643 -9.100 -5.394 1.00 0.00 O ATOM 156 CB HIS X 118 10.328 -6.736 -3.913 1.00 0.00 C ATOM 157 CG HIS X 118 10.352 -5.394 -3.267 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.166 -5.080 -2.189 1.00 0.00 N ATOM 159 CD2 HIS X 118 9.582 -4.291 -3.522 1.00 0.00 C ATOM 160 CE1 HIS X 118 10.859 -3.809 -1.856 1.00 0.00 C ATOM 161 NE2 HIS X 118 9.932 -3.320 -2.655 1.00 0.00 N ATOM 0 H HIS X 118 12.179 -5.819 -5.402 1.00 0.00 H new ATOM 0 HA HIS X 118 12.280 -7.344 -3.171 1.00 0.00 H new ATOM 0 HB2 HIS X 118 9.861 -6.642 -4.893 1.00 0.00 H new ATOM 0 HB3 HIS X 118 9.695 -7.396 -3.320 1.00 0.00 H new ATOM 0 HD2 HIS X 118 8.824 -4.212 -4.287 1.00 0.00 H new ATOM 0 HE1 HIS X 118 11.313 -3.264 -1.042 1.00 0.00 H new ATOM 0 HE2 HIS X 118 9.548 -2.376 -2.623 1.00 0.00 H new ATOM 169 N ARG X 119 11.921 -9.782 -3.687 1.00 0.00 N ATOM 170 CA ARG X 119 11.639 -11.188 -3.957 1.00 0.00 C ATOM 171 C ARG X 119 10.167 -11.498 -3.748 1.00 0.00 C ATOM 172 O ARG X 119 9.612 -12.316 -4.467 1.00 0.00 O ATOM 173 CB ARG X 119 12.520 -12.141 -3.150 1.00 0.00 C ATOM 174 CG ARG X 119 12.378 -12.049 -1.647 1.00 0.00 C ATOM 175 CD ARG X 119 13.187 -13.176 -1.003 1.00 0.00 C ATOM 176 NE ARG X 119 14.623 -13.118 -1.259 1.00 0.00 N ATOM 177 CZ ARG X 119 15.413 -14.176 -1.221 1.00 0.00 C ATOM 178 NH1 ARG X 119 14.918 -15.349 -0.957 1.00 0.00 N ATOM 179 NH2 ARG X 119 16.690 -14.067 -1.449 1.00 0.00 N ATOM 0 H ARG X 119 12.539 -9.608 -2.894 1.00 0.00 H new ATOM 0 HA ARG X 119 11.885 -11.355 -5.006 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.294 -13.163 -3.456 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.561 -11.953 -3.411 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.733 -11.081 -1.293 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.329 -12.128 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG X 119 13.022 -13.154 0.074 1.00 0.00 H new ATOM 0 HD3 ARG X 119 12.805 -14.131 -1.364 1.00 0.00 H new ATOM 0 HE ARG X 119 15.038 -12.213 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG X 119 13.919 -15.453 -0.779 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.529 -16.165 -0.928 1.00 0.00 H new ATOM 0 HH21 ARG X 119 17.094 -13.155 -1.661 1.00 0.00 H new ATOM 0 HH22 ARG X 119 17.286 -14.894 -1.416 1.00 0.00 H new ATOM 193 N PHE X 120 9.551 -10.853 -2.755 1.00 0.00 N ATOM 194 CA PHE X 120 8.120 -11.061 -2.467 1.00 0.00 C ATOM 195 C PHE X 120 7.777 -12.534 -2.213 1.00 0.00 C ATOM 196 O PHE X 120 7.036 -13.138 -2.965 1.00 0.00 O ATOM 197 CB PHE X 120 7.206 -10.521 -3.571 1.00 0.00 C ATOM 198 CG PHE X 120 7.136 -9.026 -3.666 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.660 -8.280 -2.598 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.451 -8.374 -4.841 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.525 -6.913 -2.702 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.293 -7.007 -4.949 1.00 0.00 C ATOM 203 CZ PHE X 120 6.837 -6.279 -3.877 1.00 0.00 C ATOM 0 H PHE X 120 10.012 -10.185 -2.137 1.00 0.00 H new ATOM 0 HA PHE X 120 7.937 -10.493 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.547 -10.915 -4.528 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.199 -10.907 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.393 -8.775 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE X 120 7.824 -8.938 -5.683 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.173 -6.340 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE X 120 7.528 -6.509 -5.878 1.00 0.00 H new ATOM 0 HZ PHE X 120 6.724 -5.208 -3.960 1.00 0.00 H new ATOM 213 N VAL X 121 8.352 -13.131 -1.189 1.00 0.00 N ATOM 214 CA VAL X 121 8.056 -14.553 -0.893 1.00 0.00 C ATOM 215 C VAL X 121 6.615 -14.755 -0.414 1.00 0.00 C ATOM 216 O VAL X 121 6.243 -14.404 0.699 1.00 0.00 O ATOM 217 CB VAL X 121 8.946 -15.149 0.189 1.00 0.00 C ATOM 218 CG1 VAL X 121 8.677 -16.643 0.351 1.00 0.00 C ATOM 219 CG2 VAL X 121 10.395 -14.912 -0.119 1.00 0.00 C ATOM 0 H VAL X 121 9.012 -12.685 -0.552 1.00 0.00 H new ATOM 0 HA VAL X 121 8.236 -15.056 -1.843 1.00 0.00 H new ATOM 0 HB VAL X 121 8.708 -14.651 1.129 1.00 0.00 H new ATOM 0 HG11 VAL X 121 9.324 -17.047 1.129 1.00 0.00 H new ATOM 0 HG12 VAL X 121 7.635 -16.797 0.630 1.00 0.00 H new ATOM 0 HG13 VAL X 121 8.880 -17.153 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL X 121 11.010 -15.347 0.669 1.00 0.00 H new ATOM 0 HG22 VAL X 121 10.645 -15.376 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL X 121 10.584 -13.840 -0.177 1.00 0.00 H new ATOM 229 N GLU X 122 5.820 -15.320 -1.295 1.00 0.00 N ATOM 230 CA GLU X 122 4.404 -15.626 -1.040 1.00 0.00 C ATOM 231 C GLU X 122 4.212 -16.654 0.074 1.00 0.00 C ATOM 232 O GLU X 122 4.724 -17.770 -0.033 1.00 0.00 O ATOM 233 CB GLU X 122 3.764 -16.164 -2.324 1.00 0.00 C ATOM 234 CG GLU X 122 2.280 -16.505 -2.185 1.00 0.00 C ATOM 235 CD GLU X 122 1.678 -17.013 -3.490 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.381 -16.934 -4.523 1.00 0.00 O ATOM 237 OE2 GLU X 122 0.480 -17.369 -3.462 1.00 0.00 O ATOM 0 H GLU X 122 6.131 -15.590 -2.228 1.00 0.00 H new ATOM 0 HA GLU X 122 3.928 -14.699 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU X 122 3.883 -15.423 -3.115 1.00 0.00 H new ATOM 0 HB3 GLU X 122 4.303 -17.057 -2.640 1.00 0.00 H new ATOM 0 HG2 GLU X 122 2.154 -17.262 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU X 122 1.735 -15.620 -1.857 1.00 0.00 H new ATOM 244 N LEU X 123 3.484 -16.318 1.134 1.00 0.00 N ATOM 245 CA LEU X 123 3.265 -17.303 2.199 1.00 0.00 C ATOM 246 C LEU X 123 1.825 -17.780 2.116 1.00 0.00 C ATOM 247 O LEU X 123 0.940 -17.048 1.674 1.00 0.00 O ATOM 248 CB LEU X 123 3.542 -16.780 3.615 1.00 0.00 C ATOM 249 CG LEU X 123 2.656 -15.726 4.285 1.00 0.00 C ATOM 250 CD1 LEU X 123 3.235 -15.520 5.643 1.00 0.00 C ATOM 251 CD2 LEU X 123 2.622 -14.416 3.577 1.00 0.00 C ATOM 0 H LEU X 123 3.048 -15.408 1.282 1.00 0.00 H new ATOM 0 HA LEU X 123 3.979 -18.110 2.035 1.00 0.00 H new ATOM 0 HB2 LEU X 123 3.548 -17.648 4.274 1.00 0.00 H new ATOM 0 HB3 LEU X 123 4.555 -16.378 3.608 1.00 0.00 H new ATOM 0 HG LEU X 123 1.627 -16.085 4.287 1.00 0.00 H new ATOM 0 HD11 LEU X 123 2.648 -14.775 6.180 1.00 0.00 H new ATOM 0 HD12 LEU X 123 3.217 -16.461 6.193 1.00 0.00 H new ATOM 0 HD13 LEU X 123 4.264 -15.173 5.551 1.00 0.00 H new ATOM 0 HD21 LEU X 123 1.972 -13.727 4.117 1.00 0.00 H new ATOM 0 HD22 LEU X 123 3.629 -14.002 3.529 1.00 0.00 H new ATOM 0 HD23 LEU X 123 2.240 -14.558 2.566 1.00 0.00 H new ATOM 263 N ALA X 124 1.574 -19.001 2.549 1.00 0.00 N ATOM 264 CA ALA X 124 0.215 -19.515 2.521 1.00 0.00 C ATOM 265 C ALA X 124 -0.527 -19.020 3.761 1.00 0.00 C ATOM 266 O ALA X 124 -0.121 -19.297 4.884 1.00 0.00 O ATOM 267 CB ALA X 124 0.235 -21.038 2.482 1.00 0.00 C ATOM 0 H ALA X 124 2.275 -19.644 2.917 1.00 0.00 H new ATOM 0 HA ALA X 124 -0.298 -19.158 1.628 1.00 0.00 H new ATOM 0 HB1 ALA X 124 -0.788 -21.415 2.461 1.00 0.00 H new ATOM 0 HB2 ALA X 124 0.763 -21.372 1.589 1.00 0.00 H new ATOM 0 HB3 ALA X 124 0.744 -21.418 3.368 1.00 0.00 H new ATOM 273 N LEU X 125 -1.628 -18.312 3.560 1.00 0.00 N ATOM 274 CA LEU X 125 -2.421 -17.799 4.683 1.00 0.00 C ATOM 275 C LEU X 125 -3.250 -18.913 5.325 1.00 0.00 C ATOM 276 O LEU X 125 -3.841 -18.739 6.383 1.00 0.00 O ATOM 277 CB LEU X 125 -3.346 -16.681 4.191 1.00 0.00 C ATOM 278 CG LEU X 125 -2.643 -15.427 3.654 1.00 0.00 C ATOM 279 CD1 LEU X 125 -3.687 -14.421 3.288 1.00 0.00 C ATOM 280 CD2 LEU X 125 -1.705 -14.822 4.679 1.00 0.00 C ATOM 0 H LEU X 125 -1.997 -18.077 2.638 1.00 0.00 H new ATOM 0 HA LEU X 125 -1.738 -17.406 5.436 1.00 0.00 H new ATOM 0 HB2 LEU X 125 -3.985 -17.082 3.404 1.00 0.00 H new ATOM 0 HB3 LEU X 125 -3.999 -16.386 5.013 1.00 0.00 H new ATOM 0 HG LEU X 125 -2.047 -15.710 2.787 1.00 0.00 H new ATOM 0 HD11 LEU X 125 -3.206 -13.521 2.904 1.00 0.00 H new ATOM 0 HD12 LEU X 125 -4.342 -14.838 2.523 1.00 0.00 H new ATOM 0 HD13 LEU X 125 -4.275 -14.169 4.171 1.00 0.00 H new ATOM 0 HD21 LEU X 125 -1.228 -13.937 4.258 1.00 0.00 H new ATOM 0 HD22 LEU X 125 -2.270 -14.542 5.568 1.00 0.00 H new ATOM 0 HD23 LEU X 125 -0.942 -15.552 4.949 1.00 0.00 H new ATOM 292 N ARG X 126 -3.302 -20.052 4.633 1.00 0.00 N ATOM 293 CA ARG X 126 -4.052 -21.257 5.057 1.00 0.00 C ATOM 294 C ARG X 126 -5.553 -20.886 5.176 1.00 0.00 C ATOM 295 O ARG X 126 -6.333 -21.526 5.856 1.00 0.00 O ATOM 296 CB ARG X 126 -3.425 -21.827 6.362 1.00 0.00 C ATOM 297 CG ARG X 126 -4.060 -23.102 6.948 1.00 0.00 C ATOM 298 CD ARG X 126 -3.325 -23.540 8.199 1.00 0.00 C ATOM 299 NE ARG X 126 -3.931 -24.742 8.770 1.00 0.00 N ATOM 300 CZ ARG X 126 -3.514 -25.325 9.879 1.00 0.00 C ATOM 301 NH1 ARG X 126 -2.494 -24.838 10.532 1.00 0.00 N ATOM 302 NH2 ARG X 126 -4.117 -26.391 10.329 1.00 0.00 N ATOM 0 H ARG X 126 -2.818 -20.175 3.744 1.00 0.00 H new ATOM 0 HA ARG X 126 -3.983 -22.059 4.322 1.00 0.00 H new ATOM 0 HB2 ARG X 126 -2.372 -22.032 6.170 1.00 0.00 H new ATOM 0 HB3 ARG X 126 -3.465 -21.049 7.124 1.00 0.00 H new ATOM 0 HG2 ARG X 126 -5.108 -22.918 7.182 1.00 0.00 H new ATOM 0 HG3 ARG X 126 -4.035 -23.901 6.207 1.00 0.00 H new ATOM 0 HD2 ARG X 126 -2.279 -23.734 7.961 1.00 0.00 H new ATOM 0 HD3 ARG X 126 -3.341 -22.736 8.935 1.00 0.00 H new ATOM 0 HE ARG X 126 -4.725 -25.156 8.281 1.00 0.00 H new ATOM 0 HH11 ARG X 126 -2.017 -24.005 10.186 1.00 0.00 H new ATOM 0 HH12 ARG X 126 -2.174 -25.290 11.388 1.00 0.00 H new ATOM 0 HH21 ARG X 126 -4.914 -26.778 9.824 1.00 0.00 H new ATOM 0 HH22 ARG X 126 -3.791 -26.838 11.186 1.00 0.00 H new ATOM 316 N GLY X 127 -5.943 -19.842 4.461 1.00 0.00 N ATOM 317 CA GLY X 127 -7.329 -19.393 4.469 1.00 0.00 C ATOM 318 C GLY X 127 -7.687 -18.507 5.652 1.00 0.00 C ATOM 319 O GLY X 127 -8.820 -18.058 5.764 1.00 0.00 O ATOM 0 H GLY X 127 -5.322 -19.290 3.869 1.00 0.00 H new ATOM 0 HA2 GLY X 127 -7.528 -18.848 3.547 1.00 0.00 H new ATOM 0 HA3 GLY X 127 -7.982 -20.265 4.471 1.00 0.00 H new ATOM 323 N GLY X 128 -6.731 -18.252 6.535 1.00 0.00 N ATOM 324 CA GLY X 128 -6.993 -17.402 7.686 1.00 0.00 C ATOM 325 C GLY X 128 -6.676 -15.952 7.376 1.00 0.00 C ATOM 326 O GLY X 128 -6.216 -15.643 6.275 1.00 0.00 O ATOM 0 H GLY X 128 -5.780 -18.616 6.478 1.00 0.00 H new ATOM 0 HA2 GLY X 128 -8.039 -17.494 7.980 1.00 0.00 H new ATOM 0 HA3 GLY X 128 -6.393 -17.736 8.533 1.00 0.00 H new ATOM 330 N PRO X 129 -6.877 -15.038 8.335 1.00 0.00 N ATOM 331 CA PRO X 129 -6.559 -13.635 8.052 1.00 0.00 C ATOM 332 C PRO X 129 -5.072 -13.336 8.014 1.00 0.00 C ATOM 333 O PRO X 129 -4.287 -13.905 8.773 1.00 0.00 O ATOM 334 CB PRO X 129 -7.165 -12.903 9.257 1.00 0.00 C ATOM 335 CG PRO X 129 -7.074 -13.903 10.358 1.00 0.00 C ATOM 336 CD PRO X 129 -7.426 -15.204 9.694 1.00 0.00 C ATOM 0 HA PRO X 129 -6.938 -13.344 7.072 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.611 -11.995 9.494 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -8.197 -12.607 9.069 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -6.073 -13.932 10.789 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -7.764 -13.669 11.169 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -6.980 -16.055 10.209 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -8.503 -15.371 9.677 1.00 0.00 H new ATOM 344 N GLY X 130 -4.684 -12.418 7.151 1.00 0.00 N ATOM 345 CA GLY X 130 -3.295 -12.024 7.068 1.00 0.00 C ATOM 346 C GLY X 130 -3.449 -10.539 6.905 1.00 0.00 C ATOM 347 O GLY X 130 -4.548 -10.114 6.585 1.00 0.00 O ATOM 0 H GLY X 130 -5.306 -11.935 6.503 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.734 -12.288 7.964 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.782 -12.484 6.223 1.00 0.00 H new ATOM 351 N TRP X 131 -2.413 -9.750 7.125 1.00 0.00 N ATOM 352 CA TRP X 131 -2.528 -8.297 7.009 1.00 0.00 C ATOM 353 C TRP X 131 -1.452 -7.688 6.099 1.00 0.00 C ATOM 354 O TRP X 131 -0.285 -8.023 6.243 1.00 0.00 O ATOM 355 CB TRP X 131 -2.447 -7.758 8.437 1.00 0.00 C ATOM 356 CG TRP X 131 -3.628 -8.312 9.229 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.672 -9.458 9.977 1.00 0.00 C ATOM 358 CD2 TRP X 131 -4.947 -7.745 9.319 1.00 0.00 C ATOM 359 NE1 TRP X 131 -4.925 -9.646 10.499 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.729 -8.613 10.113 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.545 -6.600 8.800 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -7.073 -8.366 10.383 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.874 -6.344 9.073 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.630 -7.229 9.856 1.00 0.00 C ATOM 0 H TRP X 131 -1.484 -10.083 7.384 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.469 -8.021 6.533 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.507 -8.054 8.901 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.471 -6.668 8.433 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -2.835 -10.122 10.134 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -5.211 -10.432 11.083 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.974 -5.917 8.189 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.656 -9.046 10.986 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -7.337 -5.452 8.679 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.670 -7.011 10.047 1.00 0.00 H new ATOM 375 N CYS X 132 -1.836 -6.823 5.162 1.00 0.00 N ATOM 376 CA CYS X 132 -0.867 -6.173 4.274 1.00 0.00 C ATOM 377 C CYS X 132 -0.239 -5.102 5.153 1.00 0.00 C ATOM 378 O CYS X 132 -0.902 -4.110 5.430 1.00 0.00 O ATOM 379 CB CYS X 132 -1.582 -5.558 3.071 1.00 0.00 C ATOM 380 SG CYS X 132 -0.534 -4.619 1.940 1.00 0.00 S ATOM 0 H CYS X 132 -2.806 -6.555 4.996 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.126 -6.859 3.864 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.066 -6.358 2.510 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.372 -4.902 3.436 1.00 0.00 H new ATOM 385 N ASP X 133 1.014 -5.282 5.559 1.00 0.00 N ATOM 386 CA ASP X 133 1.694 -4.339 6.476 1.00 0.00 C ATOM 387 C ASP X 133 1.518 -2.921 5.947 1.00 0.00 C ATOM 388 O ASP X 133 1.230 -1.982 6.681 1.00 0.00 O ATOM 389 CB ASP X 133 3.200 -4.616 6.535 1.00 0.00 C ATOM 390 CG ASP X 133 3.554 -6.066 6.953 1.00 0.00 C ATOM 391 OD1 ASP X 133 2.646 -6.888 7.163 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.767 -6.376 6.910 1.00 0.00 O ATOM 0 H ASP X 133 1.591 -6.072 5.272 1.00 0.00 H new ATOM 0 HA ASP X 133 1.258 -4.460 7.468 1.00 0.00 H new ATOM 0 HB2 ASP X 133 3.636 -4.413 5.557 1.00 0.00 H new ATOM 0 HB3 ASP X 133 3.660 -3.922 7.239 1.00 0.00 H new ATOM 397 N LEU X 134 1.693 -2.805 4.646 1.00 0.00 N ATOM 398 CA LEU X 134 1.539 -1.560 3.915 1.00 0.00 C ATOM 399 C LEU X 134 0.135 -0.935 4.052 1.00 0.00 C ATOM 400 O LEU X 134 -0.003 0.246 4.351 1.00 0.00 O ATOM 401 CB LEU X 134 1.845 -1.878 2.452 1.00 0.00 C ATOM 402 CG LEU X 134 1.292 -0.961 1.369 1.00 0.00 C ATOM 403 CD1 LEU X 134 1.826 0.445 1.461 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.657 -1.567 0.054 1.00 0.00 C ATOM 0 H LEU X 134 1.953 -3.592 4.052 1.00 0.00 H new ATOM 0 HA LEU X 134 2.220 -0.815 4.327 1.00 0.00 H new ATOM 0 HB2 LEU X 134 2.929 -1.904 2.340 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.479 -2.885 2.250 1.00 0.00 H new ATOM 0 HG LEU X 134 0.212 -0.877 1.491 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.396 1.051 0.663 1.00 0.00 H new ATOM 0 HD12 LEU X 134 1.558 0.874 2.427 1.00 0.00 H new ATOM 0 HD13 LEU X 134 2.911 0.429 1.360 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.279 -0.940 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.742 -1.643 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.217 -2.561 -0.023 1.00 0.00 H new ATOM 416 N CYS X 135 -0.897 -1.727 3.793 1.00 0.00 N ATOM 417 CA CYS X 135 -2.279 -1.243 3.867 1.00 0.00 C ATOM 418 C CYS X 135 -2.883 -1.109 5.266 1.00 0.00 C ATOM 419 O CYS X 135 -3.646 -0.190 5.556 1.00 0.00 O ATOM 420 CB CYS X 135 -3.204 -2.177 3.074 1.00 0.00 C ATOM 421 SG CYS X 135 -3.062 -2.058 1.316 1.00 0.00 S ATOM 0 H CYS X 135 -0.809 -2.708 3.529 1.00 0.00 H new ATOM 0 HA CYS X 135 -2.214 -0.236 3.456 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -2.997 -3.205 3.371 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.236 -1.965 3.355 1.00 0.00 H new ATOM 426 N GLY X 136 -2.611 -2.108 6.084 1.00 0.00 N ATOM 427 CA GLY X 136 -3.173 -2.198 7.418 1.00 0.00 C ATOM 428 C GLY X 136 -4.455 -3.002 7.270 1.00 0.00 C ATOM 429 O GLY X 136 -5.096 -3.386 8.238 1.00 0.00 O ATOM 0 H GLY X 136 -1.992 -2.882 5.841 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.480 -2.688 8.103 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.377 -1.208 7.825 1.00 0.00 H new ATOM 433 N ARG X 137 -4.816 -3.250 6.012 1.00 0.00 N ATOM 434 CA ARG X 137 -6.004 -4.016 5.642 1.00 0.00 C ATOM 435 C ARG X 137 -5.712 -5.493 5.413 1.00 0.00 C ATOM 436 O ARG X 137 -4.631 -5.863 4.953 1.00 0.00 O ATOM 437 CB ARG X 137 -6.550 -3.442 4.345 1.00 0.00 C ATOM 438 CG ARG X 137 -6.976 -1.999 4.476 1.00 0.00 C ATOM 439 CD ARG X 137 -7.476 -1.476 3.163 1.00 0.00 C ATOM 440 NE ARG X 137 -6.429 -1.371 2.143 1.00 0.00 N ATOM 441 CZ ARG X 137 -6.650 -1.008 0.893 1.00 0.00 C ATOM 442 NH1 ARG X 137 -7.861 -0.729 0.496 1.00 0.00 N ATOM 443 NH2 ARG X 137 -5.662 -0.928 0.050 1.00 0.00 N ATOM 0 H ARG X 137 -4.282 -2.919 5.208 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.713 -3.941 6.466 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.789 -3.522 3.569 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.402 -4.039 4.019 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -7.758 -1.912 5.230 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -6.135 -1.395 4.818 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.266 -2.131 2.796 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -7.922 -0.494 3.318 1.00 0.00 H new ATOM 0 HE ARG X 137 -5.471 -1.592 2.415 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -8.640 -0.791 1.152 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -8.029 -0.449 -0.470 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -4.713 -1.146 0.354 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -5.836 -0.647 -0.915 1.00 0.00 H new ATOM 457 N GLU X 138 -6.691 -6.318 5.723 1.00 0.00 N ATOM 458 CA GLU X 138 -6.615 -7.767 5.562 1.00 0.00 C ATOM 459 C GLU X 138 -6.252 -8.202 4.134 1.00 0.00 C ATOM 460 O GLU X 138 -6.779 -7.676 3.149 1.00 0.00 O ATOM 461 CB GLU X 138 -7.955 -8.399 5.995 1.00 0.00 C ATOM 462 CG GLU X 138 -9.197 -8.009 5.142 1.00 0.00 C ATOM 463 CD GLU X 138 -9.668 -6.562 5.350 1.00 0.00 C ATOM 464 OE1 GLU X 138 -9.333 -5.972 6.404 1.00 0.00 O ATOM 465 OE2 GLU X 138 -10.221 -6.009 4.375 1.00 0.00 O ATOM 0 H GLU X 138 -7.583 -6.000 6.102 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.805 -8.122 6.200 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -7.848 -9.483 5.971 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -8.148 -8.121 7.031 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -8.962 -8.156 4.088 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -10.017 -8.685 5.383 1.00 0.00 H new ATOM 472 N VAL X 139 -5.354 -9.166 4.002 1.00 0.00 N ATOM 473 CA VAL X 139 -4.975 -9.652 2.683 1.00 0.00 C ATOM 474 C VAL X 139 -5.847 -10.805 2.240 1.00 0.00 C ATOM 475 O VAL X 139 -5.649 -11.948 2.611 1.00 0.00 O ATOM 476 CB VAL X 139 -3.485 -10.084 2.594 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.621 -8.898 2.457 1.00 0.00 C ATOM 478 CG2 VAL X 139 -3.058 -10.774 3.836 1.00 0.00 C ATOM 0 H VAL X 139 -4.879 -9.623 4.781 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.121 -8.803 2.015 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.394 -10.747 1.734 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.579 -9.212 2.396 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -2.890 -8.354 1.551 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -2.754 -8.249 3.323 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -2.012 -11.066 3.748 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.177 -10.101 4.685 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.671 -11.662 3.988 1.00 0.00 H new ATOM 488 N LEU X 140 -6.818 -10.492 1.403 1.00 0.00 N ATOM 489 CA LEU X 140 -7.689 -11.527 0.874 1.00 0.00 C ATOM 490 C LEU X 140 -6.875 -12.132 -0.269 1.00 0.00 C ATOM 491 O LEU X 140 -6.923 -13.325 -0.556 1.00 0.00 O ATOM 492 CB LEU X 140 -9.010 -10.933 0.381 1.00 0.00 C ATOM 493 CG LEU X 140 -9.871 -10.268 1.466 1.00 0.00 C ATOM 494 CD1 LEU X 140 -11.170 -9.819 0.843 1.00 0.00 C ATOM 495 CD2 LEU X 140 -10.171 -11.215 2.612 1.00 0.00 C ATOM 0 H LEU X 140 -7.023 -9.547 1.078 1.00 0.00 H new ATOM 0 HA LEU X 140 -7.973 -12.271 1.619 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -8.793 -10.195 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.593 -11.725 -0.089 1.00 0.00 H new ATOM 0 HG LEU X 140 -9.316 -9.422 1.871 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -11.793 -9.345 1.602 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -10.963 -9.106 0.045 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -11.694 -10.682 0.432 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -10.782 -10.704 3.356 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -10.710 -12.084 2.234 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -9.237 -11.539 3.070 1.00 0.00 H new ATOM 507 N ARG X 141 -6.122 -11.249 -0.919 1.00 0.00 N ATOM 508 CA ARG X 141 -5.228 -11.611 -2.022 1.00 0.00 C ATOM 509 C ARG X 141 -4.107 -12.469 -1.437 1.00 0.00 C ATOM 510 O ARG X 141 -3.898 -12.476 -0.234 1.00 0.00 O ATOM 511 CB ARG X 141 -4.555 -10.365 -2.617 1.00 0.00 C ATOM 512 CG ARG X 141 -5.463 -9.270 -3.183 1.00 0.00 C ATOM 513 CD ARG X 141 -6.203 -9.665 -4.447 1.00 0.00 C ATOM 514 NE ARG X 141 -6.848 -8.475 -5.006 1.00 0.00 N ATOM 515 CZ ARG X 141 -7.641 -8.465 -6.058 1.00 0.00 C ATOM 516 NH1 ARG X 141 -7.931 -9.575 -6.682 1.00 0.00 N ATOM 517 NH2 ARG X 141 -8.139 -7.336 -6.480 1.00 0.00 N ATOM 0 H ARG X 141 -6.113 -10.254 -0.696 1.00 0.00 H new ATOM 0 HA ARG X 141 -5.806 -12.122 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -3.932 -9.918 -1.842 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -3.887 -10.692 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -6.191 -8.989 -2.422 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -4.861 -8.385 -3.390 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -5.511 -10.095 -5.171 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -6.948 -10.429 -4.225 1.00 0.00 H new ATOM 0 HE ARG X 141 -6.669 -7.583 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -7.543 -10.460 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -8.546 -9.557 -7.496 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -7.914 -6.467 -5.996 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -8.754 -7.322 -7.294 1.00 0.00 H new ATOM 531 N GLN X 142 -3.348 -13.133 -2.290 1.00 0.00 N ATOM 532 CA GLN X 142 -2.211 -13.932 -1.838 1.00 0.00 C ATOM 533 C GLN X 142 -1.241 -12.916 -1.237 1.00 0.00 C ATOM 534 O GLN X 142 -1.044 -11.850 -1.824 1.00 0.00 O ATOM 535 CB GLN X 142 -1.541 -14.639 -3.021 1.00 0.00 C ATOM 536 CG GLN X 142 -2.386 -15.734 -3.679 1.00 0.00 C ATOM 537 CD GLN X 142 -3.628 -15.195 -4.362 1.00 0.00 C ATOM 538 OE1 GLN X 142 -3.594 -14.176 -5.048 1.00 0.00 O ATOM 539 NE2 GLN X 142 -4.737 -15.861 -4.160 1.00 0.00 N ATOM 0 H GLN X 142 -3.494 -13.138 -3.300 1.00 0.00 H new ATOM 0 HA GLN X 142 -2.513 -14.704 -1.130 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -1.287 -13.894 -3.775 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -0.604 -15.079 -2.680 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -1.777 -16.264 -4.411 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -2.681 -16.461 -2.923 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -4.729 -16.703 -3.585 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -5.609 -15.538 -4.578 1.00 0.00 H new ATOM 548 N ALA X 143 -0.662 -13.199 -0.078 1.00 0.00 N ATOM 549 CA ALA X 143 0.253 -12.249 0.533 1.00 0.00 C ATOM 550 C ALA X 143 1.688 -12.582 0.238 1.00 0.00 C ATOM 551 O ALA X 143 2.140 -13.705 0.426 1.00 0.00 O ATOM 552 CB ALA X 143 0.050 -12.184 1.957 1.00 0.00 C ATOM 0 H ALA X 143 -0.806 -14.061 0.448 1.00 0.00 H new ATOM 0 HA ALA X 143 0.036 -11.274 0.096 1.00 0.00 H new ATOM 0 HB1 ALA X 143 0.746 -11.467 2.391 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.973 -11.869 2.165 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.222 -13.167 2.394 1.00 0.00 H new ATOM 558 N LEU X 144 2.403 -11.594 -0.242 1.00 0.00 N ATOM 559 CA LEU X 144 3.796 -11.785 -0.605 1.00 0.00 C ATOM 560 C LEU X 144 4.719 -10.947 0.255 1.00 0.00 C ATOM 561 O LEU X 144 4.471 -9.779 0.480 1.00 0.00 O ATOM 562 CB LEU X 144 3.978 -11.495 -2.060 1.00 0.00 C ATOM 563 CG LEU X 144 3.155 -12.449 -2.935 1.00 0.00 C ATOM 564 CD1 LEU X 144 1.854 -11.900 -3.405 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.971 -12.829 -4.108 1.00 0.00 C ATOM 0 H LEU X 144 2.049 -10.649 -0.392 1.00 0.00 H new ATOM 0 HA LEU X 144 4.066 -12.825 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.683 -10.466 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU X 144 5.033 -11.582 -2.319 1.00 0.00 H new ATOM 0 HG LEU X 144 2.905 -13.304 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU X 144 1.344 -12.645 -4.016 1.00 0.00 H new ATOM 0 HD12 LEU X 144 1.233 -11.649 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU X 144 2.031 -11.003 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.402 -13.508 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.232 -11.935 -4.675 1.00 0.00 H new ATOM 0 HD23 LEU X 144 4.882 -13.324 -3.772 1.00 0.00 H new ATOM 577 N ARG X 145 5.774 -11.562 0.756 1.00 0.00 N ATOM 578 CA ARG X 145 6.687 -10.879 1.685 1.00 0.00 C ATOM 579 C ARG X 145 8.069 -10.642 1.162 1.00 0.00 C ATOM 580 O ARG X 145 8.845 -11.582 1.049 1.00 0.00 O ATOM 581 CB ARG X 145 6.827 -11.740 2.953 1.00 0.00 C ATOM 582 CG ARG X 145 7.165 -10.950 4.239 1.00 0.00 C ATOM 583 CD ARG X 145 8.526 -10.284 4.330 1.00 0.00 C ATOM 584 NE ARG X 145 8.604 -9.610 5.630 1.00 0.00 N ATOM 585 CZ ARG X 145 9.612 -8.860 6.040 1.00 0.00 C ATOM 586 NH1 ARG X 145 10.647 -8.649 5.278 1.00 0.00 N ATOM 587 NH2 ARG X 145 9.573 -8.319 7.226 1.00 0.00 N ATOM 0 H ARG X 145 6.028 -12.527 0.544 1.00 0.00 H new ATOM 0 HA ARG X 145 6.242 -9.900 1.863 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.895 -12.283 3.111 1.00 0.00 H new ATOM 0 HB3 ARG X 145 7.605 -12.485 2.786 1.00 0.00 H new ATOM 0 HG2 ARG X 145 6.406 -10.178 4.365 1.00 0.00 H new ATOM 0 HG3 ARG X 145 7.070 -11.632 5.084 1.00 0.00 H new ATOM 0 HD2 ARG X 145 9.321 -11.023 4.234 1.00 0.00 H new ATOM 0 HD3 ARG X 145 8.657 -9.568 3.519 1.00 0.00 H new ATOM 0 HE ARG X 145 7.818 -9.730 6.269 1.00 0.00 H new ATOM 0 HH11 ARG X 145 10.689 -9.065 4.348 1.00 0.00 H new ATOM 0 HH12 ARG X 145 11.416 -8.067 5.611 1.00 0.00 H new ATOM 0 HH21 ARG X 145 8.767 -8.476 7.832 1.00 0.00 H new ATOM 0 HH22 ARG X 145 10.348 -7.739 7.548 1.00 0.00 H new ATOM 601 N CYS X 146 8.439 -9.418 0.863 1.00 0.00 N ATOM 602 CA CYS X 146 9.805 -9.223 0.415 1.00 0.00 C ATOM 603 C CYS X 146 10.745 -9.312 1.626 1.00 0.00 C ATOM 604 O CYS X 146 10.981 -8.343 2.351 1.00 0.00 O ATOM 605 CB CYS X 146 9.987 -7.922 -0.311 1.00 0.00 C ATOM 606 SG CYS X 146 11.743 -7.594 -0.624 1.00 0.00 S ATOM 0 H CYS X 146 7.855 -8.583 0.915 1.00 0.00 H new ATOM 0 HA CYS X 146 10.048 -10.009 -0.300 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.444 -7.949 -1.256 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.561 -7.110 0.278 1.00 0.00 H new ATOM 611 N ALA X 147 11.247 -10.514 1.844 1.00 0.00 N ATOM 612 CA ALA X 147 12.148 -10.813 2.945 1.00 0.00 C ATOM 613 C ALA X 147 13.440 -9.999 2.854 1.00 0.00 C ATOM 614 O ALA X 147 14.161 -9.872 3.832 1.00 0.00 O ATOM 615 CB ALA X 147 12.465 -12.298 2.957 1.00 0.00 C ATOM 0 H ALA X 147 11.039 -11.320 1.255 1.00 0.00 H new ATOM 0 HA ALA X 147 11.650 -10.537 3.874 1.00 0.00 H new ATOM 0 HB1 ALA X 147 13.141 -12.519 3.783 1.00 0.00 H new ATOM 0 HB2 ALA X 147 11.543 -12.866 3.080 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.939 -12.576 2.016 1.00 0.00 H new ATOM 621 N ASN X 148 13.730 -9.465 1.673 1.00 0.00 N ATOM 622 CA ASN X 148 14.941 -8.670 1.486 1.00 0.00 C ATOM 623 C ASN X 148 14.987 -7.405 2.286 1.00 0.00 C ATOM 624 O ASN X 148 16.077 -6.911 2.581 1.00 0.00 O ATOM 625 CB ASN X 148 15.181 -8.285 0.016 1.00 0.00 C ATOM 626 CG ASN X 148 15.374 -9.463 -0.893 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.503 -10.595 -0.462 1.00 0.00 O ATOM 628 ND2 ASN X 148 15.369 -9.201 -2.170 1.00 0.00 N ATOM 0 H ASN X 148 13.152 -9.565 0.839 1.00 0.00 H new ATOM 0 HA ASN X 148 15.723 -9.340 1.843 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.334 -7.698 -0.339 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.060 -7.644 -0.043 1.00 0.00 H new ATOM 0 HD21 ASN X 148 15.476 -9.957 -2.846 1.00 0.00 H new ATOM 0 HD22 ASN X 148 15.259 -8.240 -2.493 1.00 0.00 H new ATOM 635 N CYS X 149 13.831 -6.867 2.633 1.00 0.00 N ATOM 636 CA CYS X 149 13.818 -5.617 3.346 1.00 0.00 C ATOM 637 C CYS X 149 12.510 -5.180 3.982 1.00 0.00 C ATOM 638 O CYS X 149 12.451 -4.774 5.140 1.00 0.00 O ATOM 639 CB CYS X 149 14.193 -4.562 2.277 1.00 0.00 C ATOM 640 SG CYS X 149 13.147 -4.600 0.772 1.00 0.00 S ATOM 0 H CYS X 149 12.915 -7.269 2.436 1.00 0.00 H new ATOM 0 HA CYS X 149 14.493 -5.728 4.195 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.127 -3.570 2.725 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.233 -4.712 1.986 1.00 0.00 H new ATOM 645 N LYS X 150 11.484 -5.209 3.164 1.00 0.00 N ATOM 646 CA LYS X 150 10.167 -4.718 3.546 1.00 0.00 C ATOM 647 C LYS X 150 9.063 -5.556 4.207 1.00 0.00 C ATOM 648 O LYS X 150 9.214 -5.988 5.334 1.00 0.00 O ATOM 649 CB LYS X 150 9.652 -3.858 2.400 1.00 0.00 C ATOM 650 CG LYS X 150 10.492 -2.595 2.261 1.00 0.00 C ATOM 651 CD LYS X 150 9.999 -1.786 1.130 1.00 0.00 C ATOM 652 CE LYS X 150 10.712 -0.428 1.024 1.00 0.00 C ATOM 653 NZ LYS X 150 12.184 -0.559 0.735 1.00 0.00 N ATOM 0 H LYS X 150 11.532 -5.573 2.212 1.00 0.00 H new ATOM 0 HA LYS X 150 10.411 -4.210 4.479 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.682 -4.426 1.470 1.00 0.00 H new ATOM 0 HB3 LYS X 150 8.610 -3.591 2.578 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.446 -2.014 3.182 1.00 0.00 H new ATOM 0 HG3 LYS X 150 11.538 -2.859 2.102 1.00 0.00 H new ATOM 0 HD2 LYS X 150 10.140 -2.340 0.202 1.00 0.00 H new ATOM 0 HD3 LYS X 150 8.927 -1.622 1.244 1.00 0.00 H new ATOM 0 HE2 LYS X 150 10.243 0.162 0.236 1.00 0.00 H new ATOM 0 HE3 LYS X 150 10.577 0.121 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 12.611 0.387 0.675 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 12.641 -1.097 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 12.317 -1.057 -0.168 1.00 0.00 H new ATOM 667 N PHE X 151 7.929 -5.693 3.537 1.00 0.00 N ATOM 668 CA PHE X 151 6.749 -6.351 4.103 1.00 0.00 C ATOM 669 C PHE X 151 5.901 -7.360 3.336 1.00 0.00 C ATOM 670 O PHE X 151 6.106 -7.591 2.142 1.00 0.00 O ATOM 671 CB PHE X 151 5.799 -5.184 4.355 1.00 0.00 C ATOM 672 CG PHE X 151 5.738 -4.177 3.226 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.156 -4.493 2.008 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.239 -2.895 3.404 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.095 -3.560 0.989 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.172 -1.961 2.387 1.00 0.00 C ATOM 677 CZ PHE X 151 5.605 -2.298 1.179 1.00 0.00 C ATOM 0 H PHE X 151 7.795 -5.353 2.585 1.00 0.00 H new ATOM 0 HA PHE X 151 7.162 -6.963 4.905 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.798 -5.577 4.531 1.00 0.00 H new ATOM 0 HB3 PHE X 151 6.105 -4.672 5.267 1.00 0.00 H new ATOM 0 HD1 PHE X 151 4.745 -5.480 1.853 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.687 -2.624 4.349 1.00 0.00 H new ATOM 0 HE1 PHE X 151 4.646 -3.823 0.043 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.565 -0.967 2.540 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.561 -1.571 0.381 1.00 0.00 H new ATOM 687 N THR X 152 4.916 -7.922 4.048 1.00 0.00 N ATOM 688 CA THR X 152 3.949 -8.830 3.519 1.00 0.00 C ATOM 689 C THR X 152 2.816 -8.010 2.911 1.00 0.00 C ATOM 690 O THR X 152 1.972 -7.516 3.628 1.00 0.00 O ATOM 691 CB THR X 152 3.373 -9.495 4.743 1.00 0.00 C ATOM 692 OG1 THR X 152 4.044 -8.964 5.889 1.00 0.00 O ATOM 693 CG2 THR X 152 3.642 -10.878 4.747 1.00 0.00 C ATOM 0 H THR X 152 4.785 -7.736 5.042 1.00 0.00 H new ATOM 0 HA THR X 152 4.369 -9.517 2.784 1.00 0.00 H new ATOM 0 HB THR X 152 2.297 -9.320 4.751 1.00 0.00 H new ATOM 0 HG1 THR X 152 3.685 -9.380 6.700 1.00 0.00 H new ATOM 0 HG21 THR X 152 3.214 -11.329 5.642 1.00 0.00 H new ATOM 0 HG22 THR X 152 3.200 -11.337 3.862 1.00 0.00 H new ATOM 0 HG23 THR X 152 4.720 -11.039 4.740 1.00 0.00 H new ATOM 701 N CYS X 153 2.794 -7.832 1.605 1.00 0.00 N ATOM 702 CA CYS X 153 1.749 -7.025 0.982 1.00 0.00 C ATOM 703 C CYS X 153 0.729 -7.811 0.169 1.00 0.00 C ATOM 704 O CYS X 153 0.987 -8.959 -0.218 1.00 0.00 O ATOM 705 CB CYS X 153 2.431 -6.066 0.007 1.00 0.00 C ATOM 706 SG CYS X 153 3.353 -6.905 -1.271 1.00 0.00 S ATOM 0 H CYS X 153 3.475 -8.227 0.957 1.00 0.00 H new ATOM 0 HA CYS X 153 1.210 -6.542 1.797 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.676 -5.430 -0.456 1.00 0.00 H new ATOM 0 HB3 CYS X 153 3.103 -5.411 0.561 1.00 0.00 H new ATOM 0 HG CYS X 153 4.601 -6.994 -0.918 1.00 0.00 H new ATOM 712 N HIS X 154 -0.402 -7.189 -0.157 1.00 0.00 N ATOM 713 CA HIS X 154 -1.377 -7.854 -1.038 1.00 0.00 C ATOM 714 C HIS X 154 -0.632 -8.051 -2.370 1.00 0.00 C ATOM 715 O HIS X 154 0.176 -7.196 -2.764 1.00 0.00 O ATOM 716 CB HIS X 154 -2.630 -7.015 -1.416 1.00 0.00 C ATOM 717 CG HIS X 154 -3.531 -6.629 -0.286 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.303 -5.527 0.537 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.712 -7.199 0.124 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.348 -5.497 1.416 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.190 -6.485 1.181 1.00 0.00 N ATOM 0 H HIS X 154 -0.667 -6.256 0.160 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.727 -8.742 -0.513 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.296 -6.105 -1.914 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.214 -7.580 -2.143 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.182 -8.066 -0.317 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.469 -4.763 2.199 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.047 -6.680 1.699 1.00 0.00 H new ATOM 729 N SER X 155 -0.919 -9.133 -3.083 1.00 0.00 N ATOM 730 CA SER X 155 -0.276 -9.377 -4.384 1.00 0.00 C ATOM 731 C SER X 155 -0.545 -8.140 -5.241 1.00 0.00 C ATOM 732 O SER X 155 0.307 -7.644 -5.957 1.00 0.00 O ATOM 733 CB SER X 155 -0.864 -10.622 -5.054 1.00 0.00 C ATOM 734 OG SER X 155 -0.241 -10.870 -6.302 1.00 0.00 O ATOM 0 H SER X 155 -1.583 -9.852 -2.794 1.00 0.00 H new ATOM 0 HA SER X 155 0.793 -9.551 -4.262 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.735 -11.485 -4.401 1.00 0.00 H new ATOM 0 HB3 SER X 155 -1.936 -10.489 -5.199 1.00 0.00 H new ATOM 0 HG SER X 155 -0.632 -11.671 -6.710 1.00 0.00 H new ATOM 740 N GLU X 156 -1.765 -7.655 -5.116 1.00 0.00 N ATOM 741 CA GLU X 156 -2.250 -6.462 -5.801 1.00 0.00 C ATOM 742 C GLU X 156 -1.375 -5.226 -5.467 1.00 0.00 C ATOM 743 O GLU X 156 -0.960 -4.479 -6.353 1.00 0.00 O ATOM 744 CB GLU X 156 -3.697 -6.283 -5.336 1.00 0.00 C ATOM 745 CG GLU X 156 -4.474 -5.117 -5.898 1.00 0.00 C ATOM 746 CD GLU X 156 -5.909 -5.116 -5.358 1.00 0.00 C ATOM 747 OE1 GLU X 156 -6.137 -5.884 -4.391 1.00 0.00 O ATOM 748 OE2 GLU X 156 -6.797 -4.704 -6.129 1.00 0.00 O ATOM 0 H GLU X 156 -2.470 -8.089 -4.519 1.00 0.00 H new ATOM 0 HA GLU X 156 -2.197 -6.567 -6.885 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -4.242 -7.196 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.692 -6.191 -4.250 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -3.979 -4.182 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -4.489 -5.173 -6.986 1.00 0.00 H new ATOM 755 N CYS X 157 -1.086 -5.048 -4.180 1.00 0.00 N ATOM 756 CA CYS X 157 -0.266 -3.948 -3.677 1.00 0.00 C ATOM 757 C CYS X 157 1.184 -3.992 -4.166 1.00 0.00 C ATOM 758 O CYS X 157 1.871 -2.973 -4.161 1.00 0.00 O ATOM 759 CB CYS X 157 -0.300 -3.945 -2.140 1.00 0.00 C ATOM 760 SG CYS X 157 -1.898 -3.534 -1.487 1.00 0.00 S ATOM 0 H CYS X 157 -1.420 -5.673 -3.446 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.695 -3.028 -4.074 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.005 -4.928 -1.773 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.434 -3.231 -1.766 1.00 0.00 H new ATOM 765 N ARG X 158 1.664 -5.159 -4.581 1.00 0.00 N ATOM 766 CA ARG X 158 3.053 -5.256 -5.076 1.00 0.00 C ATOM 767 C ARG X 158 3.321 -4.289 -6.224 1.00 0.00 C ATOM 768 O ARG X 158 4.430 -3.796 -6.377 1.00 0.00 O ATOM 769 CB ARG X 158 3.336 -6.645 -5.644 1.00 0.00 C ATOM 770 CG ARG X 158 3.282 -7.781 -4.658 1.00 0.00 C ATOM 771 CD ARG X 158 3.377 -9.093 -5.402 1.00 0.00 C ATOM 772 NE ARG X 158 4.656 -9.259 -6.087 1.00 0.00 N ATOM 773 CZ ARG X 158 4.922 -10.256 -6.909 1.00 0.00 C ATOM 774 NH1 ARG X 158 4.015 -11.158 -7.158 1.00 0.00 N ATOM 775 NH2 ARG X 158 6.093 -10.347 -7.478 1.00 0.00 N ATOM 0 H ARG X 158 1.139 -6.033 -4.590 1.00 0.00 H new ATOM 0 HA ARG X 158 3.683 -5.028 -4.216 1.00 0.00 H new ATOM 0 HB2 ARG X 158 2.618 -6.845 -6.439 1.00 0.00 H new ATOM 0 HB3 ARG X 158 4.325 -6.634 -6.103 1.00 0.00 H new ATOM 0 HG2 ARG X 158 4.100 -7.696 -3.942 1.00 0.00 H new ATOM 0 HG3 ARG X 158 2.354 -7.739 -4.088 1.00 0.00 H new ATOM 0 HD2 ARG X 158 3.235 -9.915 -4.701 1.00 0.00 H new ATOM 0 HD3 ARG X 158 2.568 -9.153 -6.131 1.00 0.00 H new ATOM 0 HE ARG X 158 5.385 -8.565 -5.921 1.00 0.00 H new ATOM 0 HH11 ARG X 158 3.097 -11.094 -6.717 1.00 0.00 H new ATOM 0 HH12 ARG X 158 4.223 -11.928 -7.794 1.00 0.00 H new ATOM 0 HH21 ARG X 158 6.808 -9.645 -7.288 1.00 0.00 H new ATOM 0 HH22 ARG X 158 6.293 -11.120 -8.113 1.00 0.00 H new ATOM 789 N SER X 159 2.301 -4.005 -7.021 1.00 0.00 N ATOM 790 CA SER X 159 2.457 -3.101 -8.164 1.00 0.00 C ATOM 791 C SER X 159 2.582 -1.633 -7.774 1.00 0.00 C ATOM 792 O SER X 159 2.828 -0.780 -8.620 1.00 0.00 O ATOM 793 CB SER X 159 1.245 -3.248 -9.079 1.00 0.00 C ATOM 794 OG SER X 159 1.237 -4.529 -9.687 1.00 0.00 O ATOM 0 H SER X 159 1.360 -4.382 -6.903 1.00 0.00 H new ATOM 0 HA SER X 159 3.386 -3.385 -8.659 1.00 0.00 H new ATOM 0 HB2 SER X 159 0.329 -3.105 -8.506 1.00 0.00 H new ATOM 0 HB3 SER X 159 1.265 -2.474 -9.847 1.00 0.00 H new ATOM 0 HG SER X 159 0.453 -4.610 -10.270 1.00 0.00 H new ATOM 800 N LEU X 160 2.423 -1.338 -6.494 1.00 0.00 N ATOM 801 CA LEU X 160 2.510 0.030 -6.005 1.00 0.00 C ATOM 802 C LEU X 160 3.908 0.353 -5.522 1.00 0.00 C ATOM 803 O LEU X 160 4.179 1.471 -5.097 1.00 0.00 O ATOM 804 CB LEU X 160 1.523 0.218 -4.848 1.00 0.00 C ATOM 805 CG LEU X 160 0.083 -0.222 -5.136 1.00 0.00 C ATOM 806 CD1 LEU X 160 -0.781 0.125 -3.958 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.452 0.421 -6.384 1.00 0.00 C ATOM 0 H LEU X 160 2.232 -2.031 -5.771 1.00 0.00 H new ATOM 0 HA LEU X 160 2.265 0.703 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU X 160 1.890 -0.339 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU X 160 1.514 1.271 -4.567 1.00 0.00 H new ATOM 0 HG LEU X 160 0.074 -1.300 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -1.807 -0.185 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU X 160 -0.411 -0.389 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU X 160 -0.753 1.202 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -1.475 0.086 -6.556 1.00 0.00 H new ATOM 0 HD22 LEU X 160 -0.440 1.505 -6.269 1.00 0.00 H new ATOM 0 HD23 LEU X 160 0.170 0.140 -7.234 1.00 0.00 H new ATOM 819 N ILE X 161 4.804 -0.619 -5.581 1.00 0.00 N ATOM 820 CA ILE X 161 6.168 -0.388 -5.122 1.00 0.00 C ATOM 821 C ILE X 161 7.125 -1.079 -6.102 1.00 0.00 C ATOM 822 O ILE X 161 7.149 -2.300 -6.252 1.00 0.00 O ATOM 823 CB ILE X 161 6.326 -0.772 -3.620 1.00 0.00 C ATOM 824 CG1 ILE X 161 7.795 -0.652 -3.200 1.00 0.00 C ATOM 825 CG2 ILE X 161 5.760 -2.199 -3.354 1.00 0.00 C ATOM 826 CD1 ILE X 161 8.049 -0.992 -1.743 1.00 0.00 C ATOM 0 H ILE X 161 4.620 -1.558 -5.934 1.00 0.00 H new ATOM 0 HA ILE X 161 6.429 0.670 -5.135 1.00 0.00 H new ATOM 0 HB ILE X 161 5.746 -0.078 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE X 161 8.397 -1.311 -3.827 1.00 0.00 H new ATOM 0 HG13 ILE X 161 8.135 0.366 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE X 161 5.880 -2.447 -2.300 1.00 0.00 H new ATOM 0 HG22 ILE X 161 4.702 -2.225 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE X 161 6.301 -2.924 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE X 161 9.111 -0.883 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE X 161 7.476 -0.317 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE X 161 7.742 -2.020 -1.550 1.00 0.00 H new ATOM 838 N GLN X 162 7.869 -0.234 -6.802 1.00 0.00 N ATOM 839 CA GLN X 162 8.843 -0.599 -7.853 1.00 0.00 C ATOM 840 C GLN X 162 10.066 -1.493 -7.515 1.00 0.00 C ATOM 841 O GLN X 162 11.179 -1.212 -7.943 1.00 0.00 O ATOM 842 CB GLN X 162 9.315 0.683 -8.557 1.00 0.00 C ATOM 843 CG GLN X 162 8.170 1.460 -9.217 1.00 0.00 C ATOM 844 CD GLN X 162 7.546 0.705 -10.374 1.00 0.00 C ATOM 845 OE1 GLN X 162 8.226 0.248 -11.275 1.00 0.00 O ATOM 846 NE2 GLN X 162 6.244 0.554 -10.337 1.00 0.00 N ATOM 0 H GLN X 162 7.817 0.774 -6.655 1.00 0.00 H new ATOM 0 HA GLN X 162 8.261 -1.273 -8.481 1.00 0.00 H new ATOM 0 HB2 GLN X 162 9.813 1.327 -7.832 1.00 0.00 H new ATOM 0 HB3 GLN X 162 10.055 0.424 -9.314 1.00 0.00 H new ATOM 0 HG2 GLN X 162 7.404 1.674 -8.472 1.00 0.00 H new ATOM 0 HG3 GLN X 162 8.545 2.419 -9.574 1.00 0.00 H new ATOM 0 HE21 GLN X 162 5.706 0.951 -9.566 1.00 0.00 H new ATOM 0 HE22 GLN X 162 5.769 0.040 -11.079 1.00 0.00 H new ATOM 855 N LEU X 163 9.834 -2.557 -6.753 1.00 0.00 N ATOM 856 CA LEU X 163 10.857 -3.552 -6.351 1.00 0.00 C ATOM 857 C LEU X 163 11.982 -2.992 -5.460 1.00 0.00 C ATOM 858 O LEU X 163 13.028 -3.613 -5.328 1.00 0.00 O ATOM 859 CB LEU X 163 11.488 -4.215 -7.601 1.00 0.00 C ATOM 860 CG LEU X 163 10.570 -5.041 -8.509 1.00 0.00 C ATOM 861 CD1 LEU X 163 11.407 -5.660 -9.600 1.00 0.00 C ATOM 862 CD2 LEU X 163 9.862 -6.138 -7.757 1.00 0.00 C ATOM 0 H LEU X 163 8.908 -2.769 -6.381 1.00 0.00 H new ATOM 0 HA LEU X 163 10.318 -4.283 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU X 163 11.939 -3.429 -8.206 1.00 0.00 H new ATOM 0 HB3 LEU X 163 12.298 -4.862 -7.265 1.00 0.00 H new ATOM 0 HG LEU X 163 9.810 -4.375 -8.918 1.00 0.00 H new ATOM 0 HD11 LEU X 163 10.769 -6.252 -10.256 1.00 0.00 H new ATOM 0 HD12 LEU X 163 11.891 -4.873 -10.178 1.00 0.00 H new ATOM 0 HD13 LEU X 163 12.166 -6.303 -9.155 1.00 0.00 H new ATOM 0 HD21 LEU X 163 9.223 -6.695 -8.442 1.00 0.00 H new ATOM 0 HD22 LEU X 163 10.598 -6.811 -7.318 1.00 0.00 H new ATOM 0 HD23 LEU X 163 9.252 -5.702 -6.966 1.00 0.00 H new ATOM 874 N ASP X 164 11.757 -1.838 -4.852 1.00 0.00 N ATOM 875 CA ASP X 164 12.758 -1.169 -4.007 1.00 0.00 C ATOM 876 C ASP X 164 13.337 -1.916 -2.793 1.00 0.00 C ATOM 877 O ASP X 164 12.828 -1.791 -1.675 1.00 0.00 O ATOM 878 CB ASP X 164 12.085 0.084 -3.403 1.00 0.00 C ATOM 879 CG ASP X 164 11.474 1.006 -4.449 1.00 0.00 C ATOM 880 OD1 ASP X 164 10.443 0.564 -5.017 1.00 0.00 O ATOM 881 OD2 ASP X 164 11.719 2.214 -4.283 1.00 0.00 O ATOM 0 H ASP X 164 10.875 -1.330 -4.925 1.00 0.00 H new ATOM 0 HA ASP X 164 13.594 -1.023 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP X 164 11.307 -0.230 -2.708 1.00 0.00 H new ATOM 0 HB3 ASP X 164 12.823 0.641 -2.825 1.00 0.00 H new ATOM 886 N CYS X 165 14.468 -2.584 -2.962 1.00 0.00 N ATOM 887 CA CYS X 165 15.141 -3.226 -1.847 1.00 0.00 C ATOM 888 C CYS X 165 16.287 -2.288 -1.443 1.00 0.00 C ATOM 889 O CYS X 165 17.157 -1.964 -2.247 1.00 0.00 O ATOM 890 CB CYS X 165 15.668 -4.618 -2.220 1.00 0.00 C ATOM 891 SG CYS X 165 14.443 -5.887 -2.470 1.00 0.00 S ATOM 0 H CYS X 165 14.938 -2.695 -3.861 1.00 0.00 H new ATOM 0 HA CYS X 165 14.449 -3.387 -1.021 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.257 -4.527 -3.133 1.00 0.00 H new ATOM 0 HB3 CYS X 165 16.347 -4.948 -1.434 1.00 0.00 H new ATOM 896 N ARG X 166 16.244 -1.844 -0.195 1.00 0.00 N ATOM 897 CA ARG X 166 17.271 -0.942 0.354 1.00 0.00 C ATOM 898 C ARG X 166 18.657 -1.596 0.456 1.00 0.00 C ATOM 899 O ARG X 166 19.502 -0.954 1.104 1.00 0.00 O ATOM 900 CB ARG X 166 16.797 -0.286 1.684 1.00 0.00 C ATOM 901 CG ARG X 166 16.436 -1.196 2.918 1.00 0.00 C ATOM 902 CD ARG X 166 17.643 -1.767 3.702 1.00 0.00 C ATOM 903 NE ARG X 166 18.276 -2.850 2.973 1.00 0.00 N ATOM 904 CZ ARG X 166 17.958 -4.122 3.078 1.00 0.00 C ATOM 905 NH1 ARG X 166 17.041 -4.513 3.912 1.00 0.00 N ATOM 906 NH2 ARG X 166 18.561 -4.999 2.335 1.00 0.00 N ATOM 907 OXT ARG X 166 18.710 -2.826 0.236 1.00 0.00 O ATOM 0 H ARG X 166 15.508 -2.090 0.467 1.00 0.00 H new ATOM 0 HA ARG X 166 17.401 -0.133 -0.365 1.00 0.00 H new ATOM 0 HB2 ARG X 166 17.579 0.402 2.005 1.00 0.00 H new ATOM 0 HB3 ARG X 166 15.918 0.316 1.455 1.00 0.00 H new ATOM 0 HG2 ARG X 166 15.819 -0.617 3.606 1.00 0.00 H new ATOM 0 HG3 ARG X 166 15.826 -2.029 2.567 1.00 0.00 H new ATOM 0 HD2 ARG X 166 18.369 -0.975 3.885 1.00 0.00 H new ATOM 0 HD3 ARG X 166 17.311 -2.126 4.676 1.00 0.00 H new ATOM 0 HE ARG X 166 19.027 -2.606 2.328 1.00 0.00 H new ATOM 0 HH11 ARG X 166 16.558 -3.830 4.496 1.00 0.00 H new ATOM 0 HH12 ARG X 166 16.805 -5.503 3.983 1.00 0.00 H new ATOM 0 HH21 ARG X 166 19.278 -4.701 1.674 1.00 0.00 H new ATOM 0 HH22 ARG X 166 18.318 -5.987 2.413 1.00 0.00 H new TER 921 ARG X 166 HETATM 922 ZN ZN X 1 -2.017 -3.785 0.644 1.00 0.00 ZN HETATM 923 ZN ZN X 2 12.860 -5.674 -1.089 1.00 0.00 ZN