USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=5 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= 0.155 K(o=0.15,f=-6.2!) USER MOD Single : X 148 ASN : amide:sc= -1.49 K(o=-1.5,f=-5.9!) USER MOD Single : X 150 LYS NZ :NH3+ -149:sc= 0.313 (180deg=0.0973) USER MOD Single : X 152 THR OG1 : rot 103:sc= 0.354 USER MOD Single : X 153 CYS SG : rot -40:sc= 0.247 USER MOD Single : X 155 SER OG : rot -22:sc= 0.723 USER MOD Single : X 159 SER OG : rot -86:sc= 1.25 USER MOD Single : X 162 GLN : amide:sc= 0.169 X(o=0.17,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO X 108 3.984 -22.225 -1.509 1.00 0.00 N ATOM 2 CA PRO X 108 2.880 -21.309 -1.871 1.00 0.00 C ATOM 3 C PRO X 108 2.851 -21.393 -3.379 1.00 0.00 C ATOM 4 O PRO X 108 3.452 -22.323 -3.907 1.00 0.00 O ATOM 5 CB PRO X 108 3.315 -19.936 -1.383 1.00 0.00 C ATOM 6 CG PRO X 108 4.231 -20.286 -0.237 1.00 0.00 C ATOM 7 CD PRO X 108 5.022 -21.472 -0.781 1.00 0.00 C ATOM 0 HA PRO X 108 1.898 -21.530 -1.452 1.00 0.00 H new ATOM 0 HB2 PRO X 108 3.831 -19.371 -2.160 1.00 0.00 H new ATOM 0 HB3 PRO X 108 2.468 -19.331 -1.058 1.00 0.00 H new ATOM 0 HG2 PRO X 108 4.883 -19.453 0.028 1.00 0.00 H new ATOM 0 HG3 PRO X 108 3.672 -20.551 0.660 1.00 0.00 H new ATOM 0 HD2 PRO X 108 5.832 -21.155 -1.438 1.00 0.00 H new ATOM 0 HD3 PRO X 108 5.471 -22.063 0.017 1.00 0.00 H new ATOM 15 N ARG X 109 2.203 -20.471 -4.086 1.00 0.00 N ATOM 16 CA ARG X 109 2.216 -20.544 -5.551 1.00 0.00 C ATOM 17 C ARG X 109 3.641 -20.257 -5.999 1.00 0.00 C ATOM 18 O ARG X 109 4.249 -21.077 -6.671 1.00 0.00 O ATOM 19 CB ARG X 109 1.205 -19.589 -6.205 1.00 0.00 C ATOM 20 CG ARG X 109 1.415 -19.429 -7.718 1.00 0.00 C ATOM 21 CD ARG X 109 1.190 -20.738 -8.463 1.00 0.00 C ATOM 22 NE ARG X 109 1.370 -20.566 -9.905 1.00 0.00 N ATOM 23 CZ ARG X 109 1.317 -21.556 -10.778 1.00 0.00 C ATOM 24 NH1 ARG X 109 1.082 -22.775 -10.375 1.00 0.00 N ATOM 25 NH2 ARG X 109 1.499 -21.322 -12.049 1.00 0.00 N ATOM 0 H ARG X 109 1.679 -19.690 -3.691 1.00 0.00 H new ATOM 0 HA ARG X 109 1.904 -21.537 -5.873 1.00 0.00 H new ATOM 0 HB2 ARG X 109 0.196 -19.958 -6.022 1.00 0.00 H new ATOM 0 HB3 ARG X 109 1.278 -18.611 -5.729 1.00 0.00 H new ATOM 0 HG2 ARG X 109 0.732 -18.671 -8.101 1.00 0.00 H new ATOM 0 HG3 ARG X 109 2.427 -19.072 -7.909 1.00 0.00 H new ATOM 0 HD2 ARG X 109 1.885 -21.493 -8.095 1.00 0.00 H new ATOM 0 HD3 ARG X 109 0.184 -21.106 -8.261 1.00 0.00 H new ATOM 0 HE ARG X 109 1.547 -19.625 -10.257 1.00 0.00 H new ATOM 0 HH11 ARG X 109 0.939 -22.966 -9.383 1.00 0.00 H new ATOM 0 HH12 ARG X 109 1.042 -23.537 -11.052 1.00 0.00 H new ATOM 0 HH21 ARG X 109 1.683 -20.372 -12.371 1.00 0.00 H new ATOM 0 HH22 ARG X 109 1.457 -22.089 -12.720 1.00 0.00 H new ATOM 39 N VAL X 110 4.165 -19.100 -5.624 1.00 0.00 N ATOM 40 CA VAL X 110 5.536 -18.739 -5.996 1.00 0.00 C ATOM 41 C VAL X 110 6.499 -19.057 -4.858 1.00 0.00 C ATOM 42 O VAL X 110 6.256 -18.728 -3.693 1.00 0.00 O ATOM 43 CB VAL X 110 5.687 -17.250 -6.430 1.00 0.00 C ATOM 44 CG1 VAL X 110 5.008 -17.040 -7.768 1.00 0.00 C ATOM 45 CG2 VAL X 110 5.076 -16.287 -5.422 1.00 0.00 C ATOM 0 H VAL X 110 3.674 -18.399 -5.069 1.00 0.00 H new ATOM 0 HA VAL X 110 5.786 -19.344 -6.868 1.00 0.00 H new ATOM 0 HB VAL X 110 6.755 -17.042 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL X 110 5.114 -15.998 -8.070 1.00 0.00 H new ATOM 0 HG12 VAL X 110 5.471 -17.684 -8.516 1.00 0.00 H new ATOM 0 HG13 VAL X 110 3.950 -17.287 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL X 110 5.208 -15.263 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL X 110 4.012 -16.500 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL X 110 5.570 -16.408 -4.458 1.00 0.00 H new ATOM 55 N LEU X 111 7.585 -19.730 -5.190 1.00 0.00 N ATOM 56 CA LEU X 111 8.592 -20.101 -4.200 1.00 0.00 C ATOM 57 C LEU X 111 9.586 -18.935 -4.134 1.00 0.00 C ATOM 58 O LEU X 111 9.302 -17.854 -4.641 1.00 0.00 O ATOM 59 CB LEU X 111 9.290 -21.429 -4.586 1.00 0.00 C ATOM 60 CG LEU X 111 8.479 -22.744 -4.590 1.00 0.00 C ATOM 61 CD1 LEU X 111 7.976 -23.035 -3.190 1.00 0.00 C ATOM 62 CD2 LEU X 111 7.313 -22.778 -5.561 1.00 0.00 C ATOM 0 H LEU X 111 7.797 -20.034 -6.140 1.00 0.00 H new ATOM 0 HA LEU X 111 8.140 -20.275 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU X 111 9.707 -21.300 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU X 111 10.130 -21.566 -3.905 1.00 0.00 H new ATOM 0 HG LEU X 111 9.172 -23.511 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU X 111 7.404 -23.963 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU X 111 8.824 -23.134 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU X 111 7.338 -22.217 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU X 111 6.808 -23.741 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU X 111 6.612 -21.981 -5.315 1.00 0.00 H new ATOM 0 HD23 LEU X 111 7.681 -22.637 -6.577 1.00 0.00 H new ATOM 74 N ALA X 112 10.751 -19.137 -3.528 1.00 0.00 N ATOM 75 CA ALA X 112 11.778 -18.086 -3.452 1.00 0.00 C ATOM 76 C ALA X 112 12.542 -17.990 -4.793 1.00 0.00 C ATOM 77 O ALA X 112 13.748 -17.801 -4.829 1.00 0.00 O ATOM 78 CB ALA X 112 12.740 -18.383 -2.307 1.00 0.00 C ATOM 0 H ALA X 112 11.014 -20.015 -3.081 1.00 0.00 H new ATOM 0 HA ALA X 112 11.295 -17.128 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA X 112 13.498 -17.601 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA X 112 12.188 -18.415 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA X 112 13.223 -19.345 -2.478 1.00 0.00 H new ATOM 84 N GLU X 113 11.798 -18.148 -5.877 1.00 0.00 N ATOM 85 CA GLU X 113 12.296 -18.112 -7.255 1.00 0.00 C ATOM 86 C GLU X 113 13.013 -16.806 -7.570 1.00 0.00 C ATOM 87 O GLU X 113 14.010 -16.762 -8.286 1.00 0.00 O ATOM 88 CB GLU X 113 11.065 -18.221 -8.162 1.00 0.00 C ATOM 89 CG GLU X 113 10.327 -19.542 -8.001 1.00 0.00 C ATOM 90 CD GLU X 113 9.001 -19.566 -8.736 1.00 0.00 C ATOM 91 OE1 GLU X 113 8.984 -19.297 -9.950 1.00 0.00 O ATOM 92 OE2 GLU X 113 7.987 -19.776 -8.023 1.00 0.00 O ATOM 0 H GLU X 113 10.792 -18.311 -5.826 1.00 0.00 H new ATOM 0 HA GLU X 113 13.010 -18.922 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU X 113 10.383 -17.400 -7.941 1.00 0.00 H new ATOM 0 HB3 GLU X 113 11.374 -18.107 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU X 113 10.956 -20.352 -8.369 1.00 0.00 H new ATOM 0 HG3 GLU X 113 10.154 -19.730 -6.941 1.00 0.00 H new ATOM 99 N ARG X 114 12.458 -15.735 -7.030 1.00 0.00 N ATOM 100 CA ARG X 114 12.976 -14.383 -7.214 1.00 0.00 C ATOM 101 C ARG X 114 14.211 -14.125 -6.357 1.00 0.00 C ATOM 102 O ARG X 114 14.125 -13.416 -5.363 1.00 0.00 O ATOM 103 CB ARG X 114 11.906 -13.370 -6.838 1.00 0.00 C ATOM 104 CG ARG X 114 10.648 -13.467 -7.644 1.00 0.00 C ATOM 105 CD ARG X 114 9.710 -12.350 -7.240 1.00 0.00 C ATOM 106 NE ARG X 114 8.403 -12.503 -7.868 1.00 0.00 N ATOM 107 CZ ARG X 114 7.440 -13.245 -7.350 1.00 0.00 C ATOM 108 NH1 ARG X 114 7.631 -13.874 -6.220 1.00 0.00 N ATOM 109 NH2 ARG X 114 6.293 -13.357 -7.961 1.00 0.00 N ATOM 0 H ARG X 114 11.624 -15.776 -6.444 1.00 0.00 H new ATOM 0 HA ARG X 114 13.255 -14.281 -8.263 1.00 0.00 H new ATOM 0 HB2 ARG X 114 11.658 -13.497 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG X 114 12.318 -12.367 -6.950 1.00 0.00 H new ATOM 0 HG2 ARG X 114 10.877 -13.399 -8.707 1.00 0.00 H new ATOM 0 HG3 ARG X 114 10.172 -14.434 -7.482 1.00 0.00 H new ATOM 0 HD2 ARG X 114 9.596 -12.342 -6.156 1.00 0.00 H new ATOM 0 HD3 ARG X 114 10.141 -11.390 -7.523 1.00 0.00 H new ATOM 0 HE ARG X 114 8.224 -12.016 -8.746 1.00 0.00 H new ATOM 0 HH11 ARG X 114 8.525 -13.793 -5.736 1.00 0.00 H new ATOM 0 HH12 ARG X 114 6.886 -14.446 -5.822 1.00 0.00 H new ATOM 0 HH21 ARG X 114 6.136 -12.870 -8.844 1.00 0.00 H new ATOM 0 HH22 ARG X 114 5.553 -13.931 -7.556 1.00 0.00 H new ATOM 123 N GLY X 115 15.344 -14.708 -6.700 1.00 0.00 N ATOM 124 CA GLY X 115 16.531 -14.486 -5.889 1.00 0.00 C ATOM 125 C GLY X 115 17.074 -13.091 -6.142 1.00 0.00 C ATOM 126 O GLY X 115 17.802 -12.535 -5.331 1.00 0.00 O ATOM 0 H GLY X 115 15.470 -15.320 -7.507 1.00 0.00 H new ATOM 0 HA2 GLY X 115 16.289 -14.606 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY X 115 17.290 -15.231 -6.128 1.00 0.00 H new ATOM 130 N GLU X 116 16.680 -12.522 -7.273 1.00 0.00 N ATOM 131 CA GLU X 116 17.094 -11.175 -7.664 1.00 0.00 C ATOM 132 C GLU X 116 16.016 -10.145 -7.322 1.00 0.00 C ATOM 133 O GLU X 116 14.840 -10.332 -7.650 1.00 0.00 O ATOM 134 CB GLU X 116 17.359 -11.129 -9.171 1.00 0.00 C ATOM 135 CG GLU X 116 18.576 -11.944 -9.609 1.00 0.00 C ATOM 136 CD GLU X 116 19.898 -11.250 -9.288 1.00 0.00 C ATOM 137 OE1 GLU X 116 19.853 -10.133 -8.724 1.00 0.00 O ATOM 138 OE2 GLU X 116 20.943 -11.866 -9.582 1.00 0.00 O ATOM 0 H GLU X 116 16.065 -12.978 -7.947 1.00 0.00 H new ATOM 0 HA GLU X 116 18.003 -10.932 -7.113 1.00 0.00 H new ATOM 0 HB2 GLU X 116 16.478 -11.498 -9.697 1.00 0.00 H new ATOM 0 HB3 GLU X 116 17.500 -10.092 -9.474 1.00 0.00 H new ATOM 0 HG2 GLU X 116 18.553 -12.917 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU X 116 18.518 -12.127 -10.682 1.00 0.00 H new ATOM 145 N GLY X 117 16.412 -9.051 -6.684 1.00 0.00 N ATOM 146 CA GLY X 117 15.458 -8.010 -6.328 1.00 0.00 C ATOM 147 C GLY X 117 14.458 -8.457 -5.278 1.00 0.00 C ATOM 148 O GLY X 117 14.763 -9.299 -4.429 1.00 0.00 O ATOM 0 H GLY X 117 17.375 -8.863 -6.405 1.00 0.00 H new ATOM 0 HA2 GLY X 117 16.000 -7.139 -5.959 1.00 0.00 H new ATOM 0 HA3 GLY X 117 14.921 -7.695 -7.223 1.00 0.00 H new ATOM 152 N HIS X 118 13.258 -7.886 -5.302 1.00 0.00 N ATOM 153 CA HIS X 118 12.241 -8.277 -4.328 1.00 0.00 C ATOM 154 C HIS X 118 11.833 -9.725 -4.466 1.00 0.00 C ATOM 155 O HIS X 118 11.187 -10.122 -5.435 1.00 0.00 O ATOM 156 CB HIS X 118 10.983 -7.423 -4.381 1.00 0.00 C ATOM 157 CG HIS X 118 11.209 -5.984 -4.068 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.944 -5.537 -2.973 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.728 -4.882 -4.703 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.902 -4.183 -3.034 1.00 0.00 C ATOM 161 NE2 HIS X 118 11.188 -3.781 -4.067 1.00 0.00 N ATOM 0 H HIS X 118 12.969 -7.169 -5.967 1.00 0.00 H new ATOM 0 HA HIS X 118 12.728 -8.120 -3.366 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.545 -7.503 -5.376 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.254 -7.826 -3.678 1.00 0.00 H new ATOM 0 HD2 HIS X 118 10.085 -4.886 -5.571 1.00 0.00 H new ATOM 0 HE1 HIS X 118 12.388 -3.523 -2.331 1.00 0.00 H new ATOM 0 HE2 HIS X 118 11.014 -2.813 -4.338 1.00 0.00 H new ATOM 169 N ARG X 119 12.193 -10.515 -3.471 1.00 0.00 N ATOM 170 CA ARG X 119 11.853 -11.926 -3.463 1.00 0.00 C ATOM 171 C ARG X 119 10.353 -12.172 -3.391 1.00 0.00 C ATOM 172 O ARG X 119 9.855 -13.127 -3.981 1.00 0.00 O ATOM 173 CB ARG X 119 12.645 -12.655 -2.383 1.00 0.00 C ATOM 174 CG ARG X 119 12.347 -12.217 -0.968 1.00 0.00 C ATOM 175 CD ARG X 119 13.377 -12.810 -0.051 1.00 0.00 C ATOM 176 NE ARG X 119 13.383 -14.264 0.030 1.00 0.00 N ATOM 177 CZ ARG X 119 14.317 -14.933 0.680 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.276 -14.285 1.285 1.00 0.00 N ATOM 179 NH2 ARG X 119 14.293 -16.237 0.721 1.00 0.00 N ATOM 0 H ARG X 119 12.722 -10.203 -2.657 1.00 0.00 H new ATOM 0 HA ARG X 119 12.150 -12.351 -4.422 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.446 -13.723 -2.466 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.709 -12.513 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.361 -11.129 -0.899 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.349 -12.542 -0.675 1.00 0.00 H new ATOM 0 HD2 ARG X 119 14.363 -12.478 -0.377 1.00 0.00 H new ATOM 0 HD3 ARG X 119 13.221 -12.409 0.950 1.00 0.00 H new ATOM 0 HE ARG X 119 12.638 -14.785 -0.433 1.00 0.00 H new ATOM 0 HH11 ARG X 119 15.301 -13.266 1.254 1.00 0.00 H new ATOM 0 HH12 ARG X 119 16.000 -14.798 1.788 1.00 0.00 H new ATOM 0 HH21 ARG X 119 13.548 -16.748 0.248 1.00 0.00 H new ATOM 0 HH22 ARG X 119 15.019 -16.745 1.226 1.00 0.00 H new ATOM 193 N PHE X 120 9.642 -11.320 -2.655 1.00 0.00 N ATOM 194 CA PHE X 120 8.184 -11.436 -2.515 1.00 0.00 C ATOM 195 C PHE X 120 7.769 -12.822 -2.061 1.00 0.00 C ATOM 196 O PHE X 120 7.031 -13.517 -2.758 1.00 0.00 O ATOM 197 CB PHE X 120 7.424 -11.102 -3.792 1.00 0.00 C ATOM 198 CG PHE X 120 7.463 -9.656 -4.177 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.884 -8.703 -3.358 1.00 0.00 C ATOM 200 CD2 PHE X 120 8.016 -9.254 -5.379 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.871 -7.385 -3.717 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.996 -7.926 -5.748 1.00 0.00 C ATOM 203 CZ PHE X 120 7.428 -6.989 -4.914 1.00 0.00 C ATOM 0 H PHE X 120 10.050 -10.538 -2.143 1.00 0.00 H new ATOM 0 HA PHE X 120 7.921 -10.699 -1.756 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.835 -11.694 -4.610 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.384 -11.405 -3.671 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.436 -9.005 -2.423 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.467 -9.986 -6.033 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.424 -6.652 -3.062 1.00 0.00 H new ATOM 0 HE2 PHE X 120 8.426 -7.621 -6.691 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.419 -5.947 -5.197 1.00 0.00 H new ATOM 213 N VAL X 121 8.261 -13.253 -0.924 1.00 0.00 N ATOM 214 CA VAL X 121 7.899 -14.594 -0.451 1.00 0.00 C ATOM 215 C VAL X 121 6.442 -14.683 0.026 1.00 0.00 C ATOM 216 O VAL X 121 6.096 -14.275 1.129 1.00 0.00 O ATOM 217 CB VAL X 121 8.891 -15.213 0.580 1.00 0.00 C ATOM 218 CG1 VAL X 121 10.162 -15.634 -0.136 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.269 -14.246 1.684 1.00 0.00 C ATOM 0 H VAL X 121 8.891 -12.727 -0.319 1.00 0.00 H new ATOM 0 HA VAL X 121 7.989 -15.221 -1.338 1.00 0.00 H new ATOM 0 HB VAL X 121 8.385 -16.065 1.035 1.00 0.00 H new ATOM 0 HG11 VAL X 121 10.858 -16.067 0.582 1.00 0.00 H new ATOM 0 HG12 VAL X 121 9.921 -16.374 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.620 -14.764 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL X 121 9.961 -14.732 2.372 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.745 -13.367 1.250 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.373 -13.943 2.225 1.00 0.00 H new ATOM 229 N GLU X 122 5.599 -15.206 -0.855 1.00 0.00 N ATOM 230 CA GLU X 122 4.174 -15.396 -0.620 1.00 0.00 C ATOM 231 C GLU X 122 3.885 -16.116 0.710 1.00 0.00 C ATOM 232 O GLU X 122 4.470 -17.154 1.029 1.00 0.00 O ATOM 233 CB GLU X 122 3.640 -16.236 -1.783 1.00 0.00 C ATOM 234 CG GLU X 122 2.160 -16.541 -1.743 1.00 0.00 C ATOM 235 CD GLU X 122 1.737 -17.468 -2.881 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.472 -17.500 -3.883 1.00 0.00 O ATOM 237 OE2 GLU X 122 0.851 -18.320 -2.644 1.00 0.00 O ATOM 0 H GLU X 122 5.897 -15.519 -1.779 1.00 0.00 H new ATOM 0 HA GLU X 122 3.688 -14.422 -0.557 1.00 0.00 H new ATOM 0 HB2 GLU X 122 3.860 -15.715 -2.715 1.00 0.00 H new ATOM 0 HB3 GLU X 122 4.186 -17.179 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU X 122 1.910 -17.002 -0.788 1.00 0.00 H new ATOM 0 HG3 GLU X 122 1.596 -15.610 -1.805 1.00 0.00 H new ATOM 244 N LEU X 123 2.979 -15.537 1.480 1.00 0.00 N ATOM 245 CA LEU X 123 2.571 -16.036 2.766 1.00 0.00 C ATOM 246 C LEU X 123 1.773 -17.335 2.640 1.00 0.00 C ATOM 247 O LEU X 123 0.702 -17.366 2.055 1.00 0.00 O ATOM 248 CB LEU X 123 1.727 -14.936 3.416 1.00 0.00 C ATOM 249 CG LEU X 123 1.008 -15.294 4.702 1.00 0.00 C ATOM 250 CD1 LEU X 123 1.972 -15.675 5.807 1.00 0.00 C ATOM 251 CD2 LEU X 123 0.161 -14.123 5.143 1.00 0.00 C ATOM 0 H LEU X 123 2.497 -14.679 1.211 1.00 0.00 H new ATOM 0 HA LEU X 123 3.443 -16.275 3.375 1.00 0.00 H new ATOM 0 HB2 LEU X 123 2.376 -14.084 3.616 1.00 0.00 H new ATOM 0 HB3 LEU X 123 0.982 -14.606 2.691 1.00 0.00 H new ATOM 0 HG LEU X 123 0.379 -16.162 4.504 1.00 0.00 H new ATOM 0 HD11 LEU X 123 1.412 -15.923 6.709 1.00 0.00 H new ATOM 0 HD12 LEU X 123 2.560 -16.538 5.495 1.00 0.00 H new ATOM 0 HD13 LEU X 123 2.639 -14.838 6.013 1.00 0.00 H new ATOM 0 HD21 LEU X 123 -0.358 -14.377 6.068 1.00 0.00 H new ATOM 0 HD22 LEU X 123 0.799 -13.255 5.311 1.00 0.00 H new ATOM 0 HD23 LEU X 123 -0.570 -13.891 4.369 1.00 0.00 H new ATOM 263 N ALA X 124 2.313 -18.409 3.197 1.00 0.00 N ATOM 264 CA ALA X 124 1.673 -19.729 3.178 1.00 0.00 C ATOM 265 C ALA X 124 0.494 -19.873 4.167 1.00 0.00 C ATOM 266 O ALA X 124 0.364 -20.911 4.814 1.00 0.00 O ATOM 267 CB ALA X 124 2.727 -20.792 3.477 1.00 0.00 C ATOM 0 H ALA X 124 3.212 -18.396 3.679 1.00 0.00 H new ATOM 0 HA ALA X 124 1.246 -19.858 2.183 1.00 0.00 H new ATOM 0 HB1 ALA X 124 2.263 -21.778 3.466 1.00 0.00 H new ATOM 0 HB2 ALA X 124 3.510 -20.751 2.720 1.00 0.00 H new ATOM 0 HB3 ALA X 124 3.162 -20.607 4.459 1.00 0.00 H new ATOM 273 N LEU X 125 -0.336 -18.846 4.316 1.00 0.00 N ATOM 274 CA LEU X 125 -1.466 -18.909 5.254 1.00 0.00 C ATOM 275 C LEU X 125 -2.400 -20.080 4.933 1.00 0.00 C ATOM 276 O LEU X 125 -2.897 -20.208 3.812 1.00 0.00 O ATOM 277 CB LEU X 125 -2.289 -17.598 5.296 1.00 0.00 C ATOM 278 CG LEU X 125 -3.103 -17.069 4.092 1.00 0.00 C ATOM 279 CD1 LEU X 125 -3.693 -15.748 4.500 1.00 0.00 C ATOM 280 CD2 LEU X 125 -2.323 -16.849 2.823 1.00 0.00 C ATOM 0 H LEU X 125 -0.255 -17.965 3.808 1.00 0.00 H new ATOM 0 HA LEU X 125 -1.020 -19.059 6.237 1.00 0.00 H new ATOM 0 HB2 LEU X 125 -2.993 -17.702 6.122 1.00 0.00 H new ATOM 0 HB3 LEU X 125 -1.592 -16.805 5.569 1.00 0.00 H new ATOM 0 HG LEU X 125 -3.838 -17.839 3.858 1.00 0.00 H new ATOM 0 HD11 LEU X 125 -4.277 -15.340 3.675 1.00 0.00 H new ATOM 0 HD12 LEU X 125 -4.339 -15.890 5.366 1.00 0.00 H new ATOM 0 HD13 LEU X 125 -2.891 -15.055 4.755 1.00 0.00 H new ATOM 0 HD21 LEU X 125 -2.991 -16.478 2.045 1.00 0.00 H new ATOM 0 HD22 LEU X 125 -1.534 -16.119 3.003 1.00 0.00 H new ATOM 0 HD23 LEU X 125 -1.879 -17.791 2.501 1.00 0.00 H new ATOM 292 N ARG X 126 -2.622 -20.953 5.912 1.00 0.00 N ATOM 293 CA ARG X 126 -3.523 -22.104 5.738 1.00 0.00 C ATOM 294 C ARG X 126 -4.947 -21.545 5.915 1.00 0.00 C ATOM 295 O ARG X 126 -5.630 -21.835 6.891 1.00 0.00 O ATOM 296 CB ARG X 126 -3.199 -23.202 6.768 1.00 0.00 C ATOM 297 CG ARG X 126 -4.075 -24.468 6.660 1.00 0.00 C ATOM 298 CD ARG X 126 -3.741 -25.473 7.757 1.00 0.00 C ATOM 299 NE ARG X 126 -2.387 -26.012 7.620 1.00 0.00 N ATOM 300 CZ ARG X 126 -1.866 -26.907 8.441 1.00 0.00 C ATOM 301 NH1 ARG X 126 -2.561 -27.354 9.450 1.00 0.00 N ATOM 302 NH2 ARG X 126 -0.653 -27.350 8.250 1.00 0.00 N ATOM 0 H ARG X 126 -2.194 -20.891 6.836 1.00 0.00 H new ATOM 0 HA ARG X 126 -3.412 -22.572 4.760 1.00 0.00 H new ATOM 0 HB2 ARG X 126 -2.154 -23.490 6.655 1.00 0.00 H new ATOM 0 HB3 ARG X 126 -3.309 -22.785 7.769 1.00 0.00 H new ATOM 0 HG2 ARG X 126 -5.127 -24.191 6.727 1.00 0.00 H new ATOM 0 HG3 ARG X 126 -3.929 -24.931 5.684 1.00 0.00 H new ATOM 0 HD2 ARG X 126 -3.842 -24.993 8.730 1.00 0.00 H new ATOM 0 HD3 ARG X 126 -4.460 -26.291 7.729 1.00 0.00 H new ATOM 0 HE ARG X 126 -1.813 -25.678 6.846 1.00 0.00 H new ATOM 0 HH11 ARG X 126 -3.509 -27.013 9.607 1.00 0.00 H new ATOM 0 HH12 ARG X 126 -2.156 -28.045 10.082 1.00 0.00 H new ATOM 0 HH21 ARG X 126 -0.102 -27.005 7.464 1.00 0.00 H new ATOM 0 HH22 ARG X 126 -0.256 -28.041 8.887 1.00 0.00 H new ATOM 316 N GLY X 127 -5.364 -20.716 4.977 1.00 0.00 N ATOM 317 CA GLY X 127 -6.668 -20.083 5.056 1.00 0.00 C ATOM 318 C GLY X 127 -6.625 -18.997 6.117 1.00 0.00 C ATOM 319 O GLY X 127 -5.554 -18.654 6.614 1.00 0.00 O ATOM 0 H GLY X 127 -4.820 -20.465 4.152 1.00 0.00 H new ATOM 0 HA2 GLY X 127 -6.939 -19.656 4.090 1.00 0.00 H new ATOM 0 HA3 GLY X 127 -7.431 -20.821 5.303 1.00 0.00 H new ATOM 323 N GLY X 128 -7.781 -18.462 6.479 1.00 0.00 N ATOM 324 CA GLY X 128 -7.834 -17.416 7.489 1.00 0.00 C ATOM 325 C GLY X 128 -7.360 -16.076 6.954 1.00 0.00 C ATOM 326 O GLY X 128 -7.104 -15.943 5.758 1.00 0.00 O ATOM 0 H GLY X 128 -8.686 -18.731 6.093 1.00 0.00 H new ATOM 0 HA2 GLY X 128 -8.856 -17.318 7.855 1.00 0.00 H new ATOM 0 HA3 GLY X 128 -7.217 -17.704 8.340 1.00 0.00 H new ATOM 330 N PRO X 129 -7.248 -15.055 7.814 1.00 0.00 N ATOM 331 CA PRO X 129 -6.804 -13.743 7.330 1.00 0.00 C ATOM 332 C PRO X 129 -5.297 -13.622 7.166 1.00 0.00 C ATOM 333 O PRO X 129 -4.522 -14.353 7.780 1.00 0.00 O ATOM 334 CB PRO X 129 -7.218 -12.814 8.478 1.00 0.00 C ATOM 335 CG PRO X 129 -7.077 -13.675 9.684 1.00 0.00 C ATOM 336 CD PRO X 129 -7.582 -15.021 9.251 1.00 0.00 C ATOM 0 HA PRO X 129 -7.227 -13.532 6.348 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.577 -11.934 8.535 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -8.240 -12.456 8.357 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -6.039 -13.728 10.014 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -7.657 -13.284 10.520 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -7.096 -15.829 9.797 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -8.654 -15.123 9.419 1.00 0.00 H new ATOM 344 N GLY X 130 -4.882 -12.661 6.361 1.00 0.00 N ATOM 345 CA GLY X 130 -3.472 -12.402 6.163 1.00 0.00 C ATOM 346 C GLY X 130 -3.470 -10.898 6.153 1.00 0.00 C ATOM 347 O GLY X 130 -4.538 -10.334 5.974 1.00 0.00 O ATOM 0 H GLY X 130 -5.504 -12.048 5.834 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.858 -12.812 6.965 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -3.100 -12.824 5.229 1.00 0.00 H new ATOM 351 N TRP X 131 -2.340 -10.241 6.351 1.00 0.00 N ATOM 352 CA TRP X 131 -2.319 -8.778 6.394 1.00 0.00 C ATOM 353 C TRP X 131 -1.277 -8.089 5.506 1.00 0.00 C ATOM 354 O TRP X 131 -0.101 -8.444 5.557 1.00 0.00 O ATOM 355 CB TRP X 131 -2.092 -8.407 7.861 1.00 0.00 C ATOM 356 CG TRP X 131 -3.258 -8.915 8.690 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.366 -10.115 9.337 1.00 0.00 C ATOM 358 CD2 TRP X 131 -4.501 -8.234 8.933 1.00 0.00 C ATOM 359 NE1 TRP X 131 -4.587 -10.227 9.944 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.308 -9.091 9.713 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.013 -6.993 8.564 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -6.595 -8.741 10.113 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.287 -6.638 8.966 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.070 -7.515 9.730 1.00 0.00 C ATOM 0 H TRP X 131 -1.432 -10.686 6.484 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.265 -8.421 5.987 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.159 -8.842 8.219 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.000 -7.326 7.965 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -2.594 -10.870 9.365 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -4.908 -11.031 10.483 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.420 -6.314 7.969 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.198 -9.413 10.705 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -6.684 -5.673 8.688 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.066 -7.218 10.022 1.00 0.00 H new ATOM 375 N CYS X 132 -1.708 -7.115 4.705 1.00 0.00 N ATOM 376 CA CYS X 132 -0.807 -6.335 3.854 1.00 0.00 C ATOM 377 C CYS X 132 -0.248 -5.415 4.917 1.00 0.00 C ATOM 378 O CYS X 132 -0.925 -4.458 5.266 1.00 0.00 O ATOM 379 CB CYS X 132 -1.605 -5.565 2.803 1.00 0.00 C ATOM 380 SG CYS X 132 -0.655 -4.491 1.711 1.00 0.00 S ATOM 0 H CYS X 132 -2.688 -6.844 4.627 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.067 -6.893 3.280 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.147 -6.285 2.189 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.351 -4.958 3.316 1.00 0.00 H new ATOM 385 N ASP X 133 0.936 -5.684 5.456 1.00 0.00 N ATOM 386 CA ASP X 133 1.439 -4.843 6.560 1.00 0.00 C ATOM 387 C ASP X 133 1.542 -3.392 6.109 1.00 0.00 C ATOM 388 O ASP X 133 1.385 -2.463 6.893 1.00 0.00 O ATOM 389 CB ASP X 133 2.696 -5.422 7.225 1.00 0.00 C ATOM 390 CG ASP X 133 3.893 -5.399 6.343 1.00 0.00 C ATOM 391 OD1 ASP X 133 4.396 -4.283 6.184 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.480 -6.499 6.136 1.00 0.00 O ATOM 0 H ASP X 133 1.552 -6.444 5.168 1.00 0.00 H new ATOM 0 HA ASP X 133 0.713 -4.851 7.373 1.00 0.00 H new ATOM 0 HB2 ASP X 133 2.911 -4.857 8.132 1.00 0.00 H new ATOM 0 HB3 ASP X 133 2.497 -6.450 7.529 1.00 0.00 H new ATOM 397 N LEU X 134 1.741 -3.238 4.812 1.00 0.00 N ATOM 398 CA LEU X 134 1.783 -1.945 4.161 1.00 0.00 C ATOM 399 C LEU X 134 0.452 -1.190 4.362 1.00 0.00 C ATOM 400 O LEU X 134 0.435 -0.040 4.790 1.00 0.00 O ATOM 401 CB LEU X 134 2.030 -2.183 2.670 1.00 0.00 C ATOM 402 CG LEU X 134 1.623 -1.069 1.706 1.00 0.00 C ATOM 403 CD1 LEU X 134 2.418 0.193 1.930 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.800 -1.555 0.302 1.00 0.00 C ATOM 0 H LEU X 134 1.880 -4.021 4.173 1.00 0.00 H new ATOM 0 HA LEU X 134 2.578 -1.336 4.591 1.00 0.00 H new ATOM 0 HB2 LEU X 134 3.093 -2.378 2.531 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.499 -3.090 2.381 1.00 0.00 H new ATOM 0 HG LEU X 134 0.578 -0.820 1.888 1.00 0.00 H new ATOM 0 HD11 LEU X 134 2.095 0.957 1.223 1.00 0.00 H new ATOM 0 HD12 LEU X 134 2.257 0.549 2.948 1.00 0.00 H new ATOM 0 HD13 LEU X 134 3.478 -0.014 1.782 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.512 -0.768 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.844 -1.821 0.138 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.173 -2.431 0.138 1.00 0.00 H new ATOM 416 N CYS X 135 -0.655 -1.843 4.016 1.00 0.00 N ATOM 417 CA CYS X 135 -1.979 -1.225 4.138 1.00 0.00 C ATOM 418 C CYS X 135 -2.581 -1.290 5.548 1.00 0.00 C ATOM 419 O CYS X 135 -3.401 -0.461 5.944 1.00 0.00 O ATOM 420 CB CYS X 135 -2.954 -1.916 3.167 1.00 0.00 C ATOM 421 SG CYS X 135 -2.603 -1.602 1.452 1.00 0.00 S ATOM 0 H CYS X 135 -0.665 -2.795 3.650 1.00 0.00 H new ATOM 0 HA CYS X 135 -1.837 -0.171 3.901 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -2.926 -2.991 3.343 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -3.968 -1.583 3.387 1.00 0.00 H new ATOM 426 N GLY X 136 -2.213 -2.332 6.271 1.00 0.00 N ATOM 427 CA GLY X 136 -2.742 -2.570 7.602 1.00 0.00 C ATOM 428 C GLY X 136 -4.049 -3.322 7.426 1.00 0.00 C ATOM 429 O GLY X 136 -4.738 -3.672 8.383 1.00 0.00 O ATOM 0 H GLY X 136 -1.543 -3.033 5.955 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.039 -3.151 8.199 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -2.905 -1.629 8.127 1.00 0.00 H new ATOM 433 N ARG X 137 -4.395 -3.542 6.161 1.00 0.00 N ATOM 434 CA ARG X 137 -5.605 -4.228 5.751 1.00 0.00 C ATOM 435 C ARG X 137 -5.463 -5.665 5.308 1.00 0.00 C ATOM 436 O ARG X 137 -4.478 -6.074 4.699 1.00 0.00 O ATOM 437 CB ARG X 137 -6.222 -3.437 4.602 1.00 0.00 C ATOM 438 CG ARG X 137 -6.645 -2.022 4.979 1.00 0.00 C ATOM 439 CD ARG X 137 -7.773 -2.093 5.960 1.00 0.00 C ATOM 440 NE ARG X 137 -7.338 -2.331 7.336 1.00 0.00 N ATOM 441 CZ ARG X 137 -8.145 -2.697 8.313 1.00 0.00 C ATOM 442 NH1 ARG X 137 -9.417 -2.871 8.089 1.00 0.00 N ATOM 443 NH2 ARG X 137 -7.664 -2.897 9.509 1.00 0.00 N ATOM 0 H ARG X 137 -3.822 -3.237 5.374 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.221 -4.275 6.649 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.504 -3.384 3.784 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.092 -3.978 4.228 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -5.804 -1.481 5.412 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -6.954 -1.472 4.090 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.336 -1.160 5.922 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -8.455 -2.889 5.660 1.00 0.00 H new ATOM 0 HE ARG X 137 -6.349 -2.206 7.554 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -9.795 -2.724 7.153 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -10.035 -3.154 8.850 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -6.667 -2.770 9.686 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -8.284 -3.180 10.267 1.00 0.00 H new ATOM 457 N GLU X 138 -6.495 -6.409 5.637 1.00 0.00 N ATOM 458 CA GLU X 138 -6.633 -7.815 5.324 1.00 0.00 C ATOM 459 C GLU X 138 -6.427 -8.158 3.836 1.00 0.00 C ATOM 460 O GLU X 138 -7.057 -7.594 2.940 1.00 0.00 O ATOM 461 CB GLU X 138 -8.007 -8.282 5.846 1.00 0.00 C ATOM 462 CG GLU X 138 -9.244 -7.513 5.276 1.00 0.00 C ATOM 463 CD GLU X 138 -9.509 -6.148 5.963 1.00 0.00 C ATOM 464 OE1 GLU X 138 -8.810 -5.826 6.955 1.00 0.00 O ATOM 465 OE2 GLU X 138 -10.309 -5.375 5.402 1.00 0.00 O ATOM 0 H GLU X 138 -7.294 -6.037 6.151 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.829 -8.357 5.823 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -8.122 -9.341 5.615 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -8.013 -8.190 6.932 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.096 -7.348 4.209 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -10.129 -8.140 5.383 1.00 0.00 H new ATOM 472 N VAL X 139 -5.531 -9.096 3.579 1.00 0.00 N ATOM 473 CA VAL X 139 -5.236 -9.537 2.221 1.00 0.00 C ATOM 474 C VAL X 139 -6.139 -10.674 1.784 1.00 0.00 C ATOM 475 O VAL X 139 -6.051 -11.796 2.262 1.00 0.00 O ATOM 476 CB VAL X 139 -3.744 -9.941 2.013 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.886 -8.739 2.132 1.00 0.00 C ATOM 478 CG2 VAL X 139 -3.271 -10.959 3.010 1.00 0.00 C ATOM 0 H VAL X 139 -4.989 -9.573 4.300 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.431 -8.667 1.593 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.673 -10.385 1.020 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.843 -9.021 1.987 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.174 -8.010 1.375 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -3.009 -8.301 3.122 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -2.226 -11.201 2.815 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.368 -10.554 4.017 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.875 -11.862 2.922 1.00 0.00 H new ATOM 488 N LEU X 140 -7.045 -10.368 0.874 1.00 0.00 N ATOM 489 CA LEU X 140 -7.953 -11.384 0.371 1.00 0.00 C ATOM 490 C LEU X 140 -7.121 -12.468 -0.320 1.00 0.00 C ATOM 491 O LEU X 140 -7.485 -13.644 -0.333 1.00 0.00 O ATOM 492 CB LEU X 140 -8.961 -10.773 -0.609 1.00 0.00 C ATOM 493 CG LEU X 140 -9.922 -9.732 -0.017 1.00 0.00 C ATOM 494 CD1 LEU X 140 -10.891 -9.309 -1.093 1.00 0.00 C ATOM 495 CD2 LEU X 140 -10.698 -10.286 1.161 1.00 0.00 C ATOM 0 H LEU X 140 -7.172 -9.439 0.472 1.00 0.00 H new ATOM 0 HA LEU X 140 -8.519 -11.816 1.196 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -8.409 -10.307 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.552 -11.580 -1.043 1.00 0.00 H new ATOM 0 HG LEU X 140 -9.336 -8.885 0.340 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -11.582 -8.569 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -10.341 -8.875 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -11.451 -10.177 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -11.366 -9.518 1.550 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -11.284 -11.147 0.838 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -10.003 -10.592 1.943 1.00 0.00 H new ATOM 507 N ARG X 141 -6.026 -12.051 -0.951 1.00 0.00 N ATOM 508 CA ARG X 141 -5.141 -12.979 -1.667 1.00 0.00 C ATOM 509 C ARG X 141 -3.957 -13.374 -0.781 1.00 0.00 C ATOM 510 O ARG X 141 -3.902 -13.029 0.385 1.00 0.00 O ATOM 511 CB ARG X 141 -4.621 -12.303 -2.948 1.00 0.00 C ATOM 512 CG ARG X 141 -5.717 -11.719 -3.873 1.00 0.00 C ATOM 513 CD ARG X 141 -6.662 -12.762 -4.490 1.00 0.00 C ATOM 514 NE ARG X 141 -7.548 -13.353 -3.485 1.00 0.00 N ATOM 515 CZ ARG X 141 -8.544 -14.174 -3.748 1.00 0.00 C ATOM 516 NH1 ARG X 141 -8.816 -14.512 -4.978 1.00 0.00 N ATOM 517 NH2 ARG X 141 -9.260 -14.650 -2.766 1.00 0.00 N ATOM 0 H ARG X 141 -5.726 -11.077 -0.984 1.00 0.00 H new ATOM 0 HA ARG X 141 -5.703 -13.877 -1.925 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -3.940 -11.500 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -4.039 -13.031 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -6.310 -11.004 -3.303 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -5.235 -11.164 -4.678 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -7.260 -12.294 -5.272 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -6.075 -13.548 -4.965 1.00 0.00 H new ATOM 0 HE ARG X 141 -7.381 -13.111 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -8.256 -14.140 -5.745 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -9.589 -15.148 -5.173 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -9.046 -14.386 -1.804 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -10.033 -15.286 -2.960 1.00 0.00 H new ATOM 531 N GLN X 142 -2.995 -14.074 -1.351 1.00 0.00 N ATOM 532 CA GLN X 142 -1.810 -14.498 -0.626 1.00 0.00 C ATOM 533 C GLN X 142 -0.789 -13.360 -0.654 1.00 0.00 C ATOM 534 O GLN X 142 -0.210 -13.061 -1.696 1.00 0.00 O ATOM 535 CB GLN X 142 -1.204 -15.760 -1.245 1.00 0.00 C ATOM 536 CG GLN X 142 -2.086 -17.014 -1.181 1.00 0.00 C ATOM 537 CD GLN X 142 -3.012 -17.187 -2.384 1.00 0.00 C ATOM 538 OE1 GLN X 142 -3.445 -16.232 -3.021 1.00 0.00 O ATOM 539 NE2 GLN X 142 -3.316 -18.419 -2.696 1.00 0.00 N ATOM 0 H GLN X 142 -3.012 -14.365 -2.328 1.00 0.00 H new ATOM 0 HA GLN X 142 -2.086 -14.734 0.402 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -0.969 -15.555 -2.289 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -0.261 -15.974 -0.742 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -1.445 -17.892 -1.100 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -2.689 -16.975 -0.274 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -2.940 -19.192 -2.147 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -3.929 -18.608 -3.489 1.00 0.00 H new ATOM 548 N ALA X 143 -0.594 -12.708 0.478 1.00 0.00 N ATOM 549 CA ALA X 143 0.347 -11.597 0.581 1.00 0.00 C ATOM 550 C ALA X 143 1.783 -11.923 0.164 1.00 0.00 C ATOM 551 O ALA X 143 2.365 -12.895 0.607 1.00 0.00 O ATOM 552 CB ALA X 143 0.340 -11.059 1.939 1.00 0.00 C ATOM 0 H ALA X 143 -1.078 -12.928 1.349 1.00 0.00 H new ATOM 0 HA ALA X 143 -0.006 -10.856 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA X 143 1.045 -10.231 2.006 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.661 -10.704 2.185 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.630 -11.840 2.641 1.00 0.00 H new ATOM 558 N LEU X 144 2.346 -11.083 -0.682 1.00 0.00 N ATOM 559 CA LEU X 144 3.721 -11.242 -1.166 1.00 0.00 C ATOM 560 C LEU X 144 4.661 -10.462 -0.271 1.00 0.00 C ATOM 561 O LEU X 144 4.606 -9.244 -0.238 1.00 0.00 O ATOM 562 CB LEU X 144 3.803 -10.715 -2.580 1.00 0.00 C ATOM 563 CG LEU X 144 3.163 -11.616 -3.646 1.00 0.00 C ATOM 564 CD1 LEU X 144 3.236 -10.915 -4.983 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.868 -12.945 -3.795 1.00 0.00 C ATOM 0 H LEU X 144 1.868 -10.265 -1.060 1.00 0.00 H new ATOM 0 HA LEU X 144 4.005 -12.294 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.322 -9.737 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.852 -10.564 -2.835 1.00 0.00 H new ATOM 0 HG LEU X 144 2.138 -11.805 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU X 144 2.784 -11.545 -5.749 1.00 0.00 H new ATOM 0 HD12 LEU X 144 2.698 -9.969 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU X 144 4.279 -10.725 -5.238 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.370 -13.537 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.906 -12.776 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU X 144 3.838 -13.481 -2.847 1.00 0.00 H new ATOM 577 N ARG X 145 5.522 -11.147 0.465 1.00 0.00 N ATOM 578 CA ARG X 145 6.428 -10.448 1.378 1.00 0.00 C ATOM 579 C ARG X 145 7.846 -10.363 0.940 1.00 0.00 C ATOM 580 O ARG X 145 8.550 -11.359 1.014 1.00 0.00 O ATOM 581 CB ARG X 145 6.407 -11.126 2.751 1.00 0.00 C ATOM 582 CG ARG X 145 7.327 -10.439 3.780 1.00 0.00 C ATOM 583 CD ARG X 145 7.245 -11.089 5.142 1.00 0.00 C ATOM 584 NE ARG X 145 7.753 -12.457 5.140 1.00 0.00 N ATOM 585 CZ ARG X 145 7.793 -13.217 6.217 1.00 0.00 C ATOM 586 NH1 ARG X 145 7.377 -12.746 7.361 1.00 0.00 N ATOM 587 NH2 ARG X 145 8.249 -14.439 6.147 1.00 0.00 N ATOM 0 H ARG X 145 5.617 -12.163 0.454 1.00 0.00 H new ATOM 0 HA ARG X 145 6.048 -9.427 1.404 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.386 -11.130 3.132 1.00 0.00 H new ATOM 0 HB3 ARG X 145 6.710 -12.167 2.640 1.00 0.00 H new ATOM 0 HG2 ARG X 145 8.357 -10.473 3.424 1.00 0.00 H new ATOM 0 HG3 ARG X 145 7.054 -9.387 3.864 1.00 0.00 H new ATOM 0 HD2 ARG X 145 7.812 -10.495 5.859 1.00 0.00 H new ATOM 0 HD3 ARG X 145 6.208 -11.090 5.479 1.00 0.00 H new ATOM 0 HE ARG X 145 8.095 -12.845 4.261 1.00 0.00 H new ATOM 0 HH11 ARG X 145 7.022 -11.792 7.421 1.00 0.00 H new ATOM 0 HH12 ARG X 145 7.407 -13.332 8.195 1.00 0.00 H new ATOM 0 HH21 ARG X 145 8.577 -14.811 5.256 1.00 0.00 H new ATOM 0 HH22 ARG X 145 8.277 -15.022 6.984 1.00 0.00 H new ATOM 601 N CYS X 146 8.326 -9.220 0.487 1.00 0.00 N ATOM 602 CA CYS X 146 9.730 -9.189 0.138 1.00 0.00 C ATOM 603 C CYS X 146 10.516 -9.090 1.457 1.00 0.00 C ATOM 604 O CYS X 146 10.780 -8.013 1.990 1.00 0.00 O ATOM 605 CB CYS X 146 10.078 -8.109 -0.860 1.00 0.00 C ATOM 606 SG CYS X 146 11.878 -7.973 -1.035 1.00 0.00 S ATOM 0 H CYS X 146 7.804 -8.353 0.358 1.00 0.00 H new ATOM 0 HA CYS X 146 10.006 -10.102 -0.390 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.628 -8.338 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.664 -7.155 -0.533 1.00 0.00 H new ATOM 611 N ALA X 147 10.843 -10.263 1.978 1.00 0.00 N ATOM 612 CA ALA X 147 11.562 -10.408 3.236 1.00 0.00 C ATOM 613 C ALA X 147 12.930 -9.748 3.163 1.00 0.00 C ATOM 614 O ALA X 147 13.553 -9.504 4.180 1.00 0.00 O ATOM 615 CB ALA X 147 11.697 -11.883 3.590 1.00 0.00 C ATOM 0 H ALA X 147 10.614 -11.152 1.534 1.00 0.00 H new ATOM 0 HA ALA X 147 10.992 -9.907 4.019 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.236 -11.983 4.532 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.706 -12.325 3.690 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.246 -12.398 2.801 1.00 0.00 H new ATOM 621 N ASN X 148 13.394 -9.486 1.948 1.00 0.00 N ATOM 622 CA ASN X 148 14.681 -8.839 1.769 1.00 0.00 C ATOM 623 C ASN X 148 14.784 -7.443 2.271 1.00 0.00 C ATOM 624 O ASN X 148 15.881 -6.931 2.397 1.00 0.00 O ATOM 625 CB ASN X 148 15.185 -8.902 0.323 1.00 0.00 C ATOM 626 CG ASN X 148 15.681 -10.269 -0.067 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.744 -11.189 0.750 1.00 0.00 O ATOM 628 ND2 ASN X 148 16.011 -10.425 -1.321 1.00 0.00 N ATOM 0 H ASN X 148 12.903 -9.710 1.083 1.00 0.00 H new ATOM 0 HA ASN X 148 15.329 -9.438 2.409 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.380 -8.608 -0.350 1.00 0.00 H new ATOM 0 HB3 ASN X 148 15.990 -8.178 0.192 1.00 0.00 H new ATOM 0 HD21 ASN X 148 16.334 -11.333 -1.654 1.00 0.00 H new ATOM 0 HD22 ASN X 148 15.945 -9.639 -1.967 1.00 0.00 H new ATOM 635 N CYS X 149 13.663 -6.818 2.572 1.00 0.00 N ATOM 636 CA CYS X 149 13.739 -5.471 3.022 1.00 0.00 C ATOM 637 C CYS X 149 12.508 -4.924 3.707 1.00 0.00 C ATOM 638 O CYS X 149 12.517 -4.436 4.850 1.00 0.00 O ATOM 639 CB CYS X 149 14.017 -4.648 1.739 1.00 0.00 C ATOM 640 SG CYS X 149 12.812 -4.915 0.344 1.00 0.00 S ATOM 0 H CYS X 149 12.726 -7.216 2.512 1.00 0.00 H new ATOM 0 HA CYS X 149 14.507 -5.411 3.793 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.017 -3.590 1.999 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.019 -4.889 1.383 1.00 0.00 H new ATOM 645 N LYS X 150 11.500 -4.892 2.910 1.00 0.00 N ATOM 646 CA LYS X 150 10.228 -4.253 3.242 1.00 0.00 C ATOM 647 C LYS X 150 8.974 -4.929 3.807 1.00 0.00 C ATOM 648 O LYS X 150 8.819 -4.986 5.013 1.00 0.00 O ATOM 649 CB LYS X 150 9.886 -3.382 2.051 1.00 0.00 C ATOM 650 CG LYS X 150 10.949 -2.278 1.927 1.00 0.00 C ATOM 651 CD LYS X 150 10.805 -1.331 0.791 1.00 0.00 C ATOM 652 CE LYS X 150 10.924 -2.004 -0.558 1.00 0.00 C ATOM 653 NZ LYS X 150 10.861 -1.001 -1.667 1.00 0.00 N ATOM 0 H LYS X 150 11.513 -5.313 1.981 1.00 0.00 H new ATOM 0 HA LYS X 150 10.486 -3.802 4.200 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.855 -3.981 1.141 1.00 0.00 H new ATOM 0 HB3 LYS X 150 8.897 -2.942 2.176 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.948 -1.701 2.852 1.00 0.00 H new ATOM 0 HG3 LYS X 150 11.926 -2.755 1.849 1.00 0.00 H new ATOM 0 HD2 LYS X 150 9.837 -0.835 0.859 1.00 0.00 H new ATOM 0 HD3 LYS X 150 11.567 -0.556 0.873 1.00 0.00 H new ATOM 0 HE2 LYS X 150 11.864 -2.553 -0.613 1.00 0.00 H new ATOM 0 HE3 LYS X 150 10.122 -2.733 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 10.429 -1.438 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 10.288 -0.187 -1.367 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 11.822 -0.680 -1.900 1.00 0.00 H new ATOM 667 N PHE X 151 8.065 -5.390 2.960 1.00 0.00 N ATOM 668 CA PHE X 151 6.804 -5.949 3.472 1.00 0.00 C ATOM 669 C PHE X 151 5.950 -6.933 2.706 1.00 0.00 C ATOM 670 O PHE X 151 6.121 -7.154 1.503 1.00 0.00 O ATOM 671 CB PHE X 151 5.896 -4.751 3.710 1.00 0.00 C ATOM 672 CG PHE X 151 5.830 -3.771 2.573 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.179 -4.076 1.396 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.406 -2.520 2.709 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.113 -3.158 0.374 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.341 -1.597 1.688 1.00 0.00 C ATOM 677 CZ PHE X 151 5.692 -1.916 0.522 1.00 0.00 C ATOM 0 H PHE X 151 8.162 -5.393 1.945 1.00 0.00 H new ATOM 0 HA PHE X 151 7.165 -6.560 4.299 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.889 -5.113 3.918 1.00 0.00 H new ATOM 0 HB3 PHE X 151 6.237 -4.227 4.603 1.00 0.00 H new ATOM 0 HD1 PHE X 151 4.717 -5.045 1.276 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.913 -2.264 3.627 1.00 0.00 H new ATOM 0 HE1 PHE X 151 4.607 -3.411 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.799 -0.626 1.805 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.635 -1.194 -0.279 1.00 0.00 H new ATOM 687 N THR X 152 4.999 -7.500 3.451 1.00 0.00 N ATOM 688 CA THR X 152 4.038 -8.392 3.032 1.00 0.00 C ATOM 689 C THR X 152 2.894 -7.591 2.444 1.00 0.00 C ATOM 690 O THR X 152 2.103 -7.055 3.178 1.00 0.00 O ATOM 691 CB THR X 152 3.573 -8.860 4.394 1.00 0.00 C ATOM 692 OG1 THR X 152 4.715 -9.147 5.199 1.00 0.00 O ATOM 693 CG2 THR X 152 2.926 -9.931 4.296 1.00 0.00 C ATOM 0 H THR X 152 4.917 -7.295 4.447 1.00 0.00 H new ATOM 0 HA THR X 152 4.357 -9.151 2.318 1.00 0.00 H new ATOM 0 HB THR X 152 2.951 -8.077 4.828 1.00 0.00 H new ATOM 0 HG1 THR X 152 4.856 -8.418 5.839 1.00 0.00 H new ATOM 0 HG21 THR X 152 2.600 -10.251 5.286 1.00 0.00 H new ATOM 0 HG22 THR X 152 2.054 -9.773 3.661 1.00 0.00 H new ATOM 0 HG23 THR X 152 3.561 -10.700 3.856 1.00 0.00 H new ATOM 701 N CYS X 153 2.793 -7.499 1.140 1.00 0.00 N ATOM 702 CA CYS X 153 1.732 -6.687 0.558 1.00 0.00 C ATOM 703 C CYS X 153 0.628 -7.466 -0.136 1.00 0.00 C ATOM 704 O CYS X 153 0.849 -8.609 -0.554 1.00 0.00 O ATOM 705 CB CYS X 153 2.383 -5.797 -0.501 1.00 0.00 C ATOM 706 SG CYS X 153 3.215 -6.710 -1.815 1.00 0.00 S ATOM 0 H CYS X 153 3.410 -7.959 0.471 1.00 0.00 H new ATOM 0 HA CYS X 153 1.263 -6.151 1.383 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.619 -5.158 -0.944 1.00 0.00 H new ATOM 0 HB3 CYS X 153 3.105 -5.140 -0.015 1.00 0.00 H new ATOM 0 HG CYS X 153 3.848 -7.725 -1.305 1.00 0.00 H new ATOM 712 N HIS X 154 -0.538 -6.847 -0.325 1.00 0.00 N ATOM 713 CA HIS X 154 -1.610 -7.507 -1.111 1.00 0.00 C ATOM 714 C HIS X 154 -0.916 -7.800 -2.449 1.00 0.00 C ATOM 715 O HIS X 154 -0.054 -7.015 -2.905 1.00 0.00 O ATOM 716 CB HIS X 154 -2.853 -6.640 -1.480 1.00 0.00 C ATOM 717 CG HIS X 154 -3.751 -6.253 -0.347 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.502 -5.183 0.507 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.948 -6.806 0.038 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.545 -5.160 1.389 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.413 -6.118 1.116 1.00 0.00 N ATOM 0 H HIS X 154 -0.771 -5.922 0.036 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.997 -8.336 -0.519 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.503 -5.729 -1.966 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.445 -7.186 -2.215 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.437 -7.645 -0.435 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.646 -4.454 2.200 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.277 -6.308 1.623 1.00 0.00 H new ATOM 729 N SER X 155 -1.283 -8.895 -3.100 1.00 0.00 N ATOM 730 CA SER X 155 -0.668 -9.221 -4.384 1.00 0.00 C ATOM 731 C SER X 155 -0.855 -7.997 -5.275 1.00 0.00 C ATOM 732 O SER X 155 0.053 -7.569 -5.956 1.00 0.00 O ATOM 733 CB SER X 155 -1.269 -10.494 -4.997 1.00 0.00 C ATOM 734 OG SER X 155 -2.663 -10.396 -5.253 1.00 0.00 O ATOM 0 H SER X 155 -1.985 -9.559 -2.773 1.00 0.00 H new ATOM 0 HA SER X 155 0.392 -9.444 -4.266 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.751 -10.718 -5.930 1.00 0.00 H new ATOM 0 HB3 SER X 155 -1.089 -11.332 -4.323 1.00 0.00 H new ATOM 0 HG SER X 155 -3.050 -9.691 -4.692 1.00 0.00 H new ATOM 740 N GLU X 156 -2.039 -7.419 -5.210 1.00 0.00 N ATOM 741 CA GLU X 156 -2.402 -6.223 -5.946 1.00 0.00 C ATOM 742 C GLU X 156 -1.499 -5.027 -5.561 1.00 0.00 C ATOM 743 O GLU X 156 -1.016 -4.286 -6.422 1.00 0.00 O ATOM 744 CB GLU X 156 -3.861 -5.880 -5.603 1.00 0.00 C ATOM 745 CG GLU X 156 -4.909 -6.905 -6.110 1.00 0.00 C ATOM 746 CD GLU X 156 -5.114 -8.146 -5.196 1.00 0.00 C ATOM 747 OE1 GLU X 156 -4.337 -8.348 -4.220 1.00 0.00 O ATOM 748 OE2 GLU X 156 -5.995 -8.950 -5.557 1.00 0.00 O ATOM 0 H GLU X 156 -2.796 -7.778 -4.628 1.00 0.00 H new ATOM 0 HA GLU X 156 -2.277 -6.410 -7.013 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -3.954 -5.793 -4.520 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -4.098 -4.902 -6.023 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -5.866 -6.396 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -4.609 -7.248 -7.100 1.00 0.00 H new ATOM 755 N CYS X 157 -1.274 -4.867 -4.259 1.00 0.00 N ATOM 756 CA CYS X 157 -0.458 -3.790 -3.698 1.00 0.00 C ATOM 757 C CYS X 157 1.013 -3.867 -4.073 1.00 0.00 C ATOM 758 O CYS X 157 1.732 -2.890 -3.894 1.00 0.00 O ATOM 759 CB CYS X 157 -0.594 -3.749 -2.164 1.00 0.00 C ATOM 760 SG CYS X 157 -2.197 -3.193 -1.609 1.00 0.00 S ATOM 0 H CYS X 157 -1.660 -5.492 -3.551 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.846 -2.872 -4.139 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.404 -4.745 -1.763 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.172 -3.090 -1.756 1.00 0.00 H new ATOM 765 N ARG X 158 1.486 -5.002 -4.586 1.00 0.00 N ATOM 766 CA ARG X 158 2.919 -5.072 -4.963 1.00 0.00 C ATOM 767 C ARG X 158 3.224 -3.961 -5.971 1.00 0.00 C ATOM 768 O ARG X 158 4.341 -3.477 -6.060 1.00 0.00 O ATOM 769 CB ARG X 158 3.320 -6.394 -5.613 1.00 0.00 C ATOM 770 CG ARG X 158 2.790 -6.603 -7.031 1.00 0.00 C ATOM 771 CD ARG X 158 3.147 -7.967 -7.576 1.00 0.00 C ATOM 772 NE ARG X 158 2.634 -8.126 -8.939 1.00 0.00 N ATOM 773 CZ ARG X 158 3.245 -7.676 -10.023 1.00 0.00 C ATOM 774 NH1 ARG X 158 4.388 -7.050 -9.933 1.00 0.00 N ATOM 775 NH2 ARG X 158 2.705 -7.856 -11.198 1.00 0.00 N ATOM 0 H ARG X 158 0.942 -5.850 -4.748 1.00 0.00 H new ATOM 0 HA ARG X 158 3.482 -4.968 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG X 158 4.408 -6.455 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG X 158 2.967 -7.212 -4.985 1.00 0.00 H new ATOM 0 HG2 ARG X 158 1.706 -6.484 -7.034 1.00 0.00 H new ATOM 0 HG3 ARG X 158 3.197 -5.833 -7.687 1.00 0.00 H new ATOM 0 HD2 ARG X 158 4.229 -8.095 -7.571 1.00 0.00 H new ATOM 0 HD3 ARG X 158 2.732 -8.742 -6.932 1.00 0.00 H new ATOM 0 HE ARG X 158 1.748 -8.616 -9.060 1.00 0.00 H new ATOM 0 HH11 ARG X 158 4.819 -6.904 -9.020 1.00 0.00 H new ATOM 0 HH12 ARG X 158 4.850 -6.708 -10.776 1.00 0.00 H new ATOM 0 HH21 ARG X 158 1.813 -8.343 -11.280 1.00 0.00 H new ATOM 0 HH22 ARG X 158 3.175 -7.509 -12.034 1.00 0.00 H new ATOM 789 N SER X 159 2.208 -3.585 -6.738 1.00 0.00 N ATOM 790 CA SER X 159 2.306 -2.535 -7.752 1.00 0.00 C ATOM 791 C SER X 159 2.795 -1.216 -7.171 1.00 0.00 C ATOM 792 O SER X 159 3.530 -0.472 -7.813 1.00 0.00 O ATOM 793 CB SER X 159 0.943 -2.324 -8.417 1.00 0.00 C ATOM 794 OG SER X 159 -0.035 -1.936 -7.468 1.00 0.00 O ATOM 0 H SER X 159 1.280 -4.004 -6.675 1.00 0.00 H new ATOM 0 HA SER X 159 3.038 -2.865 -8.489 1.00 0.00 H new ATOM 0 HB2 SER X 159 1.027 -1.560 -9.190 1.00 0.00 H new ATOM 0 HB3 SER X 159 0.630 -3.244 -8.911 1.00 0.00 H new ATOM 0 HG SER X 159 -0.427 -2.735 -7.057 1.00 0.00 H new ATOM 800 N LEU X 160 2.347 -0.920 -5.961 1.00 0.00 N ATOM 801 CA LEU X 160 2.693 0.319 -5.266 1.00 0.00 C ATOM 802 C LEU X 160 4.186 0.434 -4.953 1.00 0.00 C ATOM 803 O LEU X 160 4.680 1.514 -4.630 1.00 0.00 O ATOM 804 CB LEU X 160 1.897 0.402 -3.957 1.00 0.00 C ATOM 805 CG LEU X 160 0.370 0.358 -4.116 1.00 0.00 C ATOM 806 CD1 LEU X 160 -0.268 0.542 -2.770 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.122 1.434 -5.058 1.00 0.00 C ATOM 0 H LEU X 160 1.730 -1.532 -5.427 1.00 0.00 H new ATOM 0 HA LEU X 160 2.440 1.142 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU X 160 2.203 -0.421 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU X 160 2.166 1.326 -3.445 1.00 0.00 H new ATOM 0 HG LEU X 160 0.097 -0.609 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -1.353 0.512 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU X 160 0.055 -0.257 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU X 160 0.030 1.505 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -1.207 1.372 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU X 160 0.155 2.413 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU X 160 0.330 1.293 -6.040 1.00 0.00 H new ATOM 819 N ILE X 161 4.912 -0.669 -5.048 1.00 0.00 N ATOM 820 CA ILE X 161 6.343 -0.639 -4.783 1.00 0.00 C ATOM 821 C ILE X 161 7.039 -0.120 -6.037 1.00 0.00 C ATOM 822 O ILE X 161 7.244 -0.844 -7.002 1.00 0.00 O ATOM 823 CB ILE X 161 6.883 -2.032 -4.409 1.00 0.00 C ATOM 824 CG1 ILE X 161 6.123 -2.569 -3.185 1.00 0.00 C ATOM 825 CG2 ILE X 161 8.364 -1.912 -4.083 1.00 0.00 C ATOM 826 CD1 ILE X 161 6.668 -3.874 -2.643 1.00 0.00 C ATOM 0 H ILE X 161 4.541 -1.584 -5.303 1.00 0.00 H new ATOM 0 HA ILE X 161 6.540 0.014 -3.933 1.00 0.00 H new ATOM 0 HB ILE X 161 6.743 -2.721 -5.242 1.00 0.00 H new ATOM 0 HG12 ILE X 161 6.152 -1.819 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE X 161 5.076 -2.708 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE X 161 8.758 -2.893 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE X 161 8.898 -1.530 -4.953 1.00 0.00 H new ATOM 0 HG23 ILE X 161 8.498 -1.227 -3.246 1.00 0.00 H new ATOM 0 HD11 ILE X 161 6.077 -4.185 -1.781 1.00 0.00 H new ATOM 0 HD12 ILE X 161 6.613 -4.640 -3.416 1.00 0.00 H new ATOM 0 HD13 ILE X 161 7.706 -3.737 -2.341 1.00 0.00 H new ATOM 838 N GLN X 162 7.427 1.146 -6.004 1.00 0.00 N ATOM 839 CA GLN X 162 8.091 1.787 -7.141 1.00 0.00 C ATOM 840 C GLN X 162 9.619 1.825 -7.012 1.00 0.00 C ATOM 841 O GLN X 162 10.285 2.586 -7.702 1.00 0.00 O ATOM 842 CB GLN X 162 7.527 3.203 -7.320 1.00 0.00 C ATOM 843 CG GLN X 162 6.051 3.199 -7.721 1.00 0.00 C ATOM 844 CD GLN X 162 5.839 2.689 -9.132 1.00 0.00 C ATOM 845 OE1 GLN X 162 6.454 3.163 -10.072 1.00 0.00 O ATOM 846 NE2 GLN X 162 4.987 1.708 -9.281 1.00 0.00 N ATOM 0 H GLN X 162 7.294 1.758 -5.199 1.00 0.00 H new ATOM 0 HA GLN X 162 7.883 1.182 -8.024 1.00 0.00 H new ATOM 0 HB2 GLN X 162 7.646 3.758 -6.390 1.00 0.00 H new ATOM 0 HB3 GLN X 162 8.105 3.728 -8.080 1.00 0.00 H new ATOM 0 HG2 GLN X 162 5.489 2.577 -7.024 1.00 0.00 H new ATOM 0 HG3 GLN X 162 5.652 4.210 -7.639 1.00 0.00 H new ATOM 0 HE21 GLN X 162 4.490 1.336 -8.471 1.00 0.00 H new ATOM 0 HE22 GLN X 162 4.819 1.314 -10.207 1.00 0.00 H new ATOM 855 N LEU X 163 10.179 1.012 -6.125 1.00 0.00 N ATOM 856 CA LEU X 163 11.634 0.993 -5.931 1.00 0.00 C ATOM 857 C LEU X 163 12.144 -0.321 -5.345 1.00 0.00 C ATOM 858 O LEU X 163 11.393 -1.079 -4.731 1.00 0.00 O ATOM 859 CB LEU X 163 12.085 2.145 -5.003 1.00 0.00 C ATOM 860 CG LEU X 163 11.667 2.166 -3.518 1.00 0.00 C ATOM 861 CD1 LEU X 163 12.203 3.444 -2.921 1.00 0.00 C ATOM 862 CD2 LEU X 163 10.166 2.127 -3.260 1.00 0.00 C ATOM 0 H LEU X 163 9.661 0.363 -5.533 1.00 0.00 H new ATOM 0 HA LEU X 163 12.061 1.113 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU X 163 13.174 2.172 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU X 163 11.732 3.074 -5.449 1.00 0.00 H new ATOM 0 HG LEU X 163 12.071 1.258 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU X 163 11.928 3.497 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU X 163 13.289 3.461 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU X 163 11.780 4.298 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU X 163 9.981 2.146 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU X 163 9.694 2.993 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU X 163 9.747 1.214 -3.685 1.00 0.00 H new ATOM 874 N ASP X 164 13.432 -0.549 -5.549 1.00 0.00 N ATOM 875 CA ASP X 164 14.180 -1.731 -5.081 1.00 0.00 C ATOM 876 C ASP X 164 14.204 -2.001 -3.563 1.00 0.00 C ATOM 877 O ASP X 164 13.575 -1.288 -2.770 1.00 0.00 O ATOM 878 CB ASP X 164 15.619 -1.656 -5.636 1.00 0.00 C ATOM 879 CG ASP X 164 16.408 -0.452 -5.101 1.00 0.00 C ATOM 880 OD1 ASP X 164 15.843 0.331 -4.313 1.00 0.00 O ATOM 881 OD2 ASP X 164 17.523 -0.242 -5.608 1.00 0.00 O ATOM 0 H ASP X 164 14.020 0.105 -6.066 1.00 0.00 H new ATOM 0 HA ASP X 164 13.624 -2.584 -5.470 1.00 0.00 H new ATOM 0 HB2 ASP X 164 16.149 -2.573 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP X 164 15.580 -1.603 -6.724 1.00 0.00 H new ATOM 886 N CYS X 165 14.898 -3.070 -3.173 1.00 0.00 N ATOM 887 CA CYS X 165 15.034 -3.452 -1.775 1.00 0.00 C ATOM 888 C CYS X 165 15.860 -2.374 -1.034 1.00 0.00 C ATOM 889 O CYS X 165 17.073 -2.286 -1.211 1.00 0.00 O ATOM 890 CB CYS X 165 15.732 -4.825 -1.687 1.00 0.00 C ATOM 891 SG CYS X 165 14.953 -6.205 -2.551 1.00 0.00 S ATOM 0 H CYS X 165 15.380 -3.693 -3.821 1.00 0.00 H new ATOM 0 HA CYS X 165 14.052 -3.528 -1.308 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.745 -4.714 -2.073 1.00 0.00 H new ATOM 0 HB3 CYS X 165 15.820 -5.092 -0.634 1.00 0.00 H new ATOM 896 N ARG X 166 15.189 -1.543 -0.245 1.00 0.00 N ATOM 897 CA ARG X 166 15.877 -0.478 0.494 1.00 0.00 C ATOM 898 C ARG X 166 16.405 -0.958 1.835 1.00 0.00 C ATOM 899 O ARG X 166 16.963 -0.096 2.544 1.00 0.00 O ATOM 900 CB ARG X 166 14.972 0.740 0.709 1.00 0.00 C ATOM 901 CG ARG X 166 14.346 1.281 -0.566 1.00 0.00 C ATOM 902 CD ARG X 166 15.394 1.541 -1.633 1.00 0.00 C ATOM 903 NE ARG X 166 16.423 2.496 -1.243 1.00 0.00 N ATOM 904 CZ ARG X 166 17.487 2.743 -1.984 1.00 0.00 C ATOM 905 NH1 ARG X 166 17.652 2.133 -3.123 1.00 0.00 N ATOM 906 NH2 ARG X 166 18.383 3.600 -1.578 1.00 0.00 N ATOM 907 OXT ARG X 166 16.082 -2.105 2.178 1.00 0.00 O ATOM 0 H ARG X 166 14.180 -1.580 -0.098 1.00 0.00 H new ATOM 0 HA ARG X 166 16.725 -0.184 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG X 166 14.178 0.471 1.405 1.00 0.00 H new ATOM 0 HB3 ARG X 166 15.553 1.533 1.180 1.00 0.00 H new ATOM 0 HG2 ARG X 166 13.611 0.569 -0.942 1.00 0.00 H new ATOM 0 HG3 ARG X 166 13.812 2.205 -0.346 1.00 0.00 H new ATOM 0 HD2 ARG X 166 15.872 0.597 -1.894 1.00 0.00 H new ATOM 0 HD3 ARG X 166 14.897 1.907 -2.532 1.00 0.00 H new ATOM 0 HE ARG X 166 16.317 2.995 -0.360 1.00 0.00 H new ATOM 0 HH11 ARG X 166 16.957 1.460 -3.447 1.00 0.00 H new ATOM 0 HH12 ARG X 166 18.476 2.328 -3.691 1.00 0.00 H new ATOM 0 HH21 ARG X 166 18.262 4.081 -0.686 1.00 0.00 H new ATOM 0 HH22 ARG X 166 19.205 3.789 -2.152 1.00 0.00 H new TER 921 ARG X 166 HETATM 922 ZN ZN X 1 -2.145 -3.450 0.532 1.00 0.00 ZN HETATM 923 ZN ZN X 2 13.233 -6.174 -1.315 1.00 0.00 ZN