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= -0.548! C(o=-0.55!,f=-8.7!) USER MOD Single : X 148 ASN : amide:sc= 0.22 K(o=0.22,f=-2.3) USER MOD Single : X 150 LYS NZ :NH3+ -174:sc=-0.00523 (180deg=-0.043) USER MOD Single : X 152 THR OG1 : rot 180:sc= -0.631 USER MOD Single : X 153 CYS SG : rot -24:sc= 0.257 USER MOD Single : X 155 SER OG : rot 180:sc= -0.019 USER MOD Single : X 159 SER OG : rot 94:sc= 0.883 USER MOD Single : X 162 GLN : amide:sc=-0.00435 X(o=-0.0043,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO X 108 17.374 -15.466 -7.522 1.00 0.00 N ATOM 2 CA PRO X 108 17.552 -16.905 -7.846 1.00 0.00 C ATOM 3 C PRO X 108 16.206 -17.603 -7.719 1.00 0.00 C ATOM 4 O PRO X 108 15.204 -16.927 -7.624 1.00 0.00 O ATOM 5 CB PRO X 108 18.562 -17.438 -6.838 1.00 0.00 C ATOM 6 CG PRO X 108 19.410 -16.186 -6.581 1.00 0.00 C ATOM 7 CD PRO X 108 18.368 -15.049 -6.513 1.00 0.00 C ATOM 0 HA PRO X 108 17.912 -17.073 -8.861 1.00 0.00 H new ATOM 0 HB2 PRO X 108 18.084 -17.805 -5.930 1.00 0.00 H new ATOM 0 HB3 PRO X 108 19.153 -18.260 -7.242 1.00 0.00 H new ATOM 0 HG2 PRO X 108 19.975 -16.268 -5.652 1.00 0.00 H new ATOM 0 HG3 PRO X 108 20.133 -16.020 -7.380 1.00 0.00 H new ATOM 0 HD2 PRO X 108 17.927 -14.962 -5.520 1.00 0.00 H new ATOM 0 HD3 PRO X 108 18.808 -14.081 -6.752 1.00 0.00 H new ATOM 15 N ARG X 109 16.171 -18.932 -7.700 1.00 0.00 N ATOM 16 CA ARG X 109 14.897 -19.667 -7.598 1.00 0.00 C ATOM 17 C ARG X 109 14.218 -19.580 -6.212 1.00 0.00 C ATOM 18 O ARG X 109 14.217 -20.537 -5.448 1.00 0.00 O ATOM 19 CB ARG X 109 15.072 -21.134 -8.035 1.00 0.00 C ATOM 20 CG ARG X 109 13.741 -21.913 -8.152 1.00 0.00 C ATOM 21 CD ARG X 109 12.959 -21.390 -9.361 1.00 0.00 C ATOM 22 NE ARG X 109 11.666 -22.056 -9.557 1.00 0.00 N ATOM 23 CZ ARG X 109 10.533 -21.662 -8.996 1.00 0.00 C ATOM 24 NH1 ARG X 109 10.508 -20.631 -8.206 1.00 0.00 N ATOM 25 NH2 ARG X 109 9.424 -22.306 -9.233 1.00 0.00 N ATOM 0 H ARG X 109 16.999 -19.526 -7.753 1.00 0.00 H new ATOM 0 HA ARG X 109 14.216 -19.165 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG X 109 15.582 -21.158 -8.998 1.00 0.00 H new ATOM 0 HB3 ARG X 109 15.718 -21.642 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG X 109 13.938 -22.979 -8.264 1.00 0.00 H new ATOM 0 HG3 ARG X 109 13.153 -21.791 -7.242 1.00 0.00 H new ATOM 0 HD2 ARG X 109 12.792 -20.320 -9.240 1.00 0.00 H new ATOM 0 HD3 ARG X 109 13.564 -21.519 -10.258 1.00 0.00 H new ATOM 0 HE ARG X 109 11.638 -22.875 -10.164 1.00 0.00 H new ATOM 0 HH11 ARG X 109 11.367 -20.116 -8.012 1.00 0.00 H new ATOM 0 HH12 ARG X 109 9.630 -20.337 -7.779 1.00 0.00 H new ATOM 0 HH21 ARG X 109 9.427 -23.116 -9.852 1.00 0.00 H new ATOM 0 HH22 ARG X 109 8.553 -21.999 -8.799 1.00 0.00 H new ATOM 39 N VAL X 110 13.674 -18.421 -5.887 1.00 0.00 N ATOM 40 CA VAL X 110 12.982 -18.206 -4.609 1.00 0.00 C ATOM 41 C VAL X 110 11.512 -18.464 -4.955 1.00 0.00 C ATOM 42 O VAL X 110 11.254 -19.341 -5.764 1.00 0.00 O ATOM 43 CB VAL X 110 13.235 -16.771 -4.051 1.00 0.00 C ATOM 44 CG1 VAL X 110 14.700 -16.621 -3.683 1.00 0.00 C ATOM 45 CG2 VAL X 110 12.881 -15.688 -5.077 1.00 0.00 C ATOM 0 H VAL X 110 13.694 -17.600 -6.492 1.00 0.00 H new ATOM 0 HA VAL X 110 13.335 -18.860 -3.811 1.00 0.00 H new ATOM 0 HB VAL X 110 12.597 -16.643 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL X 110 14.876 -15.618 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL X 110 14.961 -17.357 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL X 110 15.316 -16.780 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL X 110 13.072 -14.704 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL X 110 13.492 -15.819 -5.970 1.00 0.00 H new ATOM 0 HG23 VAL X 110 11.827 -15.770 -5.343 1.00 0.00 H new ATOM 55 N LEU X 111 10.559 -17.730 -4.385 1.00 0.00 N ATOM 56 CA LEU X 111 9.146 -17.914 -4.752 1.00 0.00 C ATOM 57 C LEU X 111 9.120 -17.635 -6.264 1.00 0.00 C ATOM 58 O LEU X 111 8.789 -18.498 -7.079 1.00 0.00 O ATOM 59 CB LEU X 111 8.241 -16.967 -3.935 1.00 0.00 C ATOM 60 CG LEU X 111 6.733 -16.853 -4.244 1.00 0.00 C ATOM 61 CD1 LEU X 111 6.386 -16.231 -5.578 1.00 0.00 C ATOM 62 CD2 LEU X 111 6.115 -18.230 -4.179 1.00 0.00 C ATOM 0 H LEU X 111 10.728 -17.013 -3.679 1.00 0.00 H new ATOM 0 HA LEU X 111 8.760 -18.909 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU X 111 8.332 -17.260 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU X 111 8.663 -15.966 -4.023 1.00 0.00 H new ATOM 0 HG LEU X 111 6.333 -16.175 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU X 111 5.303 -16.199 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU X 111 6.786 -15.218 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU X 111 6.819 -16.827 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU X 111 5.049 -18.161 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU X 111 6.593 -18.879 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU X 111 6.256 -18.645 -3.181 1.00 0.00 H new ATOM 74 N ALA X 112 9.506 -16.412 -6.606 1.00 0.00 N ATOM 75 CA ALA X 112 9.623 -15.964 -7.989 1.00 0.00 C ATOM 76 C ALA X 112 10.696 -16.822 -8.671 1.00 0.00 C ATOM 77 O ALA X 112 11.766 -17.034 -8.099 1.00 0.00 O ATOM 78 CB ALA X 112 9.997 -14.492 -8.033 1.00 0.00 C ATOM 0 H ALA X 112 9.750 -15.695 -5.923 1.00 0.00 H new ATOM 0 HA ALA X 112 8.672 -16.076 -8.510 1.00 0.00 H new ATOM 0 HB1 ALA X 112 10.081 -14.169 -9.071 1.00 0.00 H new ATOM 0 HB2 ALA X 112 9.227 -13.906 -7.532 1.00 0.00 H new ATOM 0 HB3 ALA X 112 10.952 -14.344 -7.528 1.00 0.00 H new ATOM 84 N GLU X 113 10.417 -17.332 -9.861 1.00 0.00 N ATOM 85 CA GLU X 113 11.378 -18.175 -10.582 1.00 0.00 C ATOM 86 C GLU X 113 12.737 -17.459 -10.741 1.00 0.00 C ATOM 87 O GLU X 113 13.769 -18.000 -10.346 1.00 0.00 O ATOM 88 CB GLU X 113 10.767 -18.642 -11.926 1.00 0.00 C ATOM 89 CG GLU X 113 10.551 -17.559 -12.996 1.00 0.00 C ATOM 90 CD GLU X 113 9.638 -16.444 -12.519 1.00 0.00 C ATOM 91 OE1 GLU X 113 8.557 -16.784 -11.999 1.00 0.00 O ATOM 92 OE2 GLU X 113 10.217 -15.350 -12.313 1.00 0.00 O ATOM 0 H GLU X 113 9.536 -17.181 -10.353 1.00 0.00 H new ATOM 0 HA GLU X 113 11.584 -19.072 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU X 113 11.415 -19.412 -12.346 1.00 0.00 H new ATOM 0 HB3 GLU X 113 9.806 -19.113 -11.718 1.00 0.00 H new ATOM 0 HG2 GLU X 113 11.515 -17.138 -13.282 1.00 0.00 H new ATOM 0 HG3 GLU X 113 10.125 -18.016 -13.890 1.00 0.00 H new ATOM 99 N ARG X 114 12.740 -16.250 -11.299 1.00 0.00 N ATOM 100 CA ARG X 114 13.973 -15.469 -11.454 1.00 0.00 C ATOM 101 C ARG X 114 14.508 -14.998 -10.120 1.00 0.00 C ATOM 102 O ARG X 114 15.715 -14.964 -9.881 1.00 0.00 O ATOM 103 CB ARG X 114 13.737 -14.229 -12.323 1.00 0.00 C ATOM 104 CG ARG X 114 13.416 -14.511 -13.776 1.00 0.00 C ATOM 105 CD ARG X 114 13.087 -13.214 -14.514 1.00 0.00 C ATOM 106 NE ARG X 114 14.221 -12.284 -14.549 1.00 0.00 N ATOM 107 CZ ARG X 114 14.197 -11.113 -15.159 1.00 0.00 C ATOM 108 NH1 ARG X 114 13.126 -10.724 -15.795 1.00 0.00 N ATOM 109 NH2 ARG X 114 15.243 -10.342 -15.131 1.00 0.00 N ATOM 0 H ARG X 114 11.903 -15.787 -11.653 1.00 0.00 H new ATOM 0 HA ARG X 114 14.696 -16.133 -11.929 1.00 0.00 H new ATOM 0 HB2 ARG X 114 12.918 -13.653 -11.892 1.00 0.00 H new ATOM 0 HB3 ARG X 114 14.626 -13.600 -12.279 1.00 0.00 H new ATOM 0 HG2 ARG X 114 14.264 -15.002 -14.253 1.00 0.00 H new ATOM 0 HG3 ARG X 114 12.572 -15.197 -13.841 1.00 0.00 H new ATOM 0 HD2 ARG X 114 12.781 -13.448 -15.534 1.00 0.00 H new ATOM 0 HD3 ARG X 114 12.239 -12.730 -14.030 1.00 0.00 H new ATOM 0 HE ARG X 114 15.080 -12.559 -14.073 1.00 0.00 H new ATOM 0 HH11 ARG X 114 12.303 -11.325 -15.822 1.00 0.00 H new ATOM 0 HH12 ARG X 114 13.112 -9.819 -16.265 1.00 0.00 H new ATOM 0 HH21 ARG X 114 16.084 -10.641 -14.637 1.00 0.00 H new ATOM 0 HH22 ARG X 114 15.223 -9.438 -15.603 1.00 0.00 H new ATOM 123 N GLY X 115 13.580 -14.599 -9.262 1.00 0.00 N ATOM 124 CA GLY X 115 13.933 -14.070 -7.955 1.00 0.00 C ATOM 125 C GLY X 115 14.617 -12.735 -8.120 1.00 0.00 C ATOM 126 O GLY X 115 15.383 -12.305 -7.267 1.00 0.00 O ATOM 0 H GLY X 115 12.578 -14.632 -9.448 1.00 0.00 H new ATOM 0 HA2 GLY X 115 13.038 -13.959 -7.342 1.00 0.00 H new ATOM 0 HA3 GLY X 115 14.591 -14.766 -7.435 1.00 0.00 H new ATOM 130 N GLU X 116 14.361 -12.119 -9.262 1.00 0.00 N ATOM 131 CA GLU X 116 14.931 -10.827 -9.613 1.00 0.00 C ATOM 132 C GLU X 116 14.330 -9.773 -8.685 1.00 0.00 C ATOM 133 O GLU X 116 13.110 -9.731 -8.524 1.00 0.00 O ATOM 134 CB GLU X 116 14.560 -10.488 -11.058 1.00 0.00 C ATOM 135 CG GLU X 116 15.516 -9.525 -11.710 1.00 0.00 C ATOM 136 CD GLU X 116 16.808 -10.221 -12.108 1.00 0.00 C ATOM 137 OE1 GLU X 116 16.712 -11.179 -12.922 1.00 0.00 O ATOM 138 OE2 GLU X 116 17.873 -9.768 -11.659 1.00 0.00 O ATOM 0 H GLU X 116 13.746 -12.504 -9.979 1.00 0.00 H new ATOM 0 HA GLU X 116 16.016 -10.852 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU X 116 14.527 -11.408 -11.642 1.00 0.00 H new ATOM 0 HB3 GLU X 116 13.557 -10.062 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU X 116 15.050 -9.086 -12.592 1.00 0.00 H new ATOM 0 HG3 GLU X 116 15.736 -8.707 -11.025 1.00 0.00 H new ATOM 145 N GLY X 117 15.150 -8.920 -8.091 1.00 0.00 N ATOM 146 CA GLY X 117 14.608 -7.896 -7.212 1.00 0.00 C ATOM 147 C GLY X 117 13.924 -8.507 -6.002 1.00 0.00 C ATOM 148 O GLY X 117 14.396 -9.492 -5.427 1.00 0.00 O ATOM 0 H GLY X 117 16.165 -8.914 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY X 117 15.410 -7.236 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY X 117 13.895 -7.282 -7.763 1.00 0.00 H new ATOM 152 N HIS X 118 12.809 -7.914 -5.598 1.00 0.00 N ATOM 153 CA HIS X 118 12.050 -8.414 -4.451 1.00 0.00 C ATOM 154 C HIS X 118 11.656 -9.884 -4.553 1.00 0.00 C ATOM 155 O HIS X 118 10.914 -10.275 -5.449 1.00 0.00 O ATOM 156 CB HIS X 118 10.760 -7.636 -4.275 1.00 0.00 C ATOM 157 CG HIS X 118 10.940 -6.184 -3.985 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.727 -5.698 -2.944 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.364 -5.104 -4.591 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.614 -4.347 -2.996 1.00 0.00 C ATOM 161 NE2 HIS X 118 10.800 -3.983 -3.971 1.00 0.00 N ATOM 0 H HIS X 118 12.408 -7.089 -6.043 1.00 0.00 H new ATOM 0 HA HIS X 118 12.728 -8.289 -3.607 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.163 -7.740 -5.181 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.188 -8.086 -3.463 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.677 -5.139 -5.424 1.00 0.00 H new ATOM 0 HE1 HIS X 118 12.120 -3.663 -2.331 1.00 0.00 H new ATOM 0 HE2 HIS X 118 10.545 -3.026 -4.214 1.00 0.00 H new ATOM 169 N ARG X 119 12.124 -10.700 -3.616 1.00 0.00 N ATOM 170 CA ARG X 119 11.770 -12.122 -3.628 1.00 0.00 C ATOM 171 C ARG X 119 10.278 -12.363 -3.444 1.00 0.00 C ATOM 172 O ARG X 119 9.736 -13.276 -4.057 1.00 0.00 O ATOM 173 CB ARG X 119 12.609 -12.946 -2.647 1.00 0.00 C ATOM 174 CG ARG X 119 12.477 -12.617 -1.170 1.00 0.00 C ATOM 175 CD ARG X 119 13.449 -13.540 -0.425 1.00 0.00 C ATOM 176 NE ARG X 119 13.501 -13.323 1.021 1.00 0.00 N ATOM 177 CZ ARG X 119 14.381 -13.917 1.813 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.246 -14.753 1.311 1.00 0.00 N ATOM 179 NH2 ARG X 119 14.399 -13.679 3.095 1.00 0.00 N ATOM 0 H ARG X 119 12.737 -10.414 -2.852 1.00 0.00 H new ATOM 0 HA ARG X 119 12.018 -12.478 -4.628 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.352 -13.996 -2.783 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.657 -12.836 -2.925 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.717 -11.570 -0.984 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.454 -12.775 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG X 119 13.165 -14.575 -0.615 1.00 0.00 H new ATOM 0 HD3 ARG X 119 14.449 -13.403 -0.837 1.00 0.00 H new ATOM 0 HE ARG X 119 12.826 -12.683 1.440 1.00 0.00 H new ATOM 0 HH11 ARG X 119 15.244 -14.949 0.310 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.924 -15.211 1.919 1.00 0.00 H new ATOM 0 HH21 ARG X 119 13.729 -13.027 3.502 1.00 0.00 H new ATOM 0 HH22 ARG X 119 15.083 -14.145 3.691 1.00 0.00 H new ATOM 193 N PHE X 120 9.633 -11.572 -2.583 1.00 0.00 N ATOM 194 CA PHE X 120 8.193 -11.705 -2.336 1.00 0.00 C ATOM 195 C PHE X 120 7.795 -13.115 -1.933 1.00 0.00 C ATOM 196 O PHE X 120 7.019 -13.769 -2.614 1.00 0.00 O ATOM 197 CB PHE X 120 7.340 -11.242 -3.522 1.00 0.00 C ATOM 198 CG PHE X 120 7.312 -9.751 -3.724 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.795 -8.917 -2.743 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.749 -9.186 -4.906 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.738 -7.551 -2.931 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.679 -7.811 -5.098 1.00 0.00 C ATOM 203 CZ PHE X 120 7.182 -6.999 -4.107 1.00 0.00 C ATOM 0 H PHE X 120 10.084 -10.832 -2.045 1.00 0.00 H new ATOM 0 HA PHE X 120 7.991 -11.041 -1.496 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.717 -11.712 -4.430 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.319 -11.596 -3.380 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.432 -9.343 -1.819 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.148 -9.817 -5.687 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.344 -6.915 -2.152 1.00 0.00 H new ATOM 0 HE2 PHE X 120 8.016 -7.380 -6.029 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.141 -5.930 -4.253 1.00 0.00 H new ATOM 213 N VAL X 121 8.357 -13.607 -0.848 1.00 0.00 N ATOM 214 CA VAL X 121 8.021 -14.979 -0.412 1.00 0.00 C ATOM 215 C VAL X 121 6.566 -15.127 0.075 1.00 0.00 C ATOM 216 O VAL X 121 6.216 -14.749 1.184 1.00 0.00 O ATOM 217 CB VAL X 121 9.041 -15.606 0.588 1.00 0.00 C ATOM 218 CG1 VAL X 121 10.320 -15.964 -0.152 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.402 -14.667 1.722 1.00 0.00 C ATOM 0 H VAL X 121 9.027 -13.112 -0.259 1.00 0.00 H new ATOM 0 HA VAL X 121 8.107 -15.571 -1.323 1.00 0.00 H new ATOM 0 HB VAL X 121 8.563 -16.488 1.014 1.00 0.00 H new ATOM 0 HG11 VAL X 121 11.034 -16.402 0.546 1.00 0.00 H new ATOM 0 HG12 VAL X 121 10.095 -16.682 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.749 -15.064 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.115 -15.156 2.386 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.849 -13.760 1.315 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.503 -14.409 2.281 1.00 0.00 H new ATOM 229 N GLU X 122 5.728 -15.652 -0.811 1.00 0.00 N ATOM 230 CA GLU X 122 4.298 -15.875 -0.577 1.00 0.00 C ATOM 231 C GLU X 122 3.944 -16.765 0.626 1.00 0.00 C ATOM 232 O GLU X 122 4.357 -17.921 0.712 1.00 0.00 O ATOM 233 CB GLU X 122 3.715 -16.504 -1.854 1.00 0.00 C ATOM 234 CG GLU X 122 2.219 -16.806 -1.824 1.00 0.00 C ATOM 235 CD GLU X 122 1.717 -17.378 -3.157 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.380 -17.101 -4.184 1.00 0.00 O ATOM 237 OE2 GLU X 122 0.550 -17.820 -3.186 1.00 0.00 O ATOM 0 H GLU X 122 6.029 -15.944 -1.741 1.00 0.00 H new ATOM 0 HA GLU X 122 3.871 -14.902 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU X 122 3.914 -15.833 -2.690 1.00 0.00 H new ATOM 0 HB3 GLU X 122 4.250 -17.432 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU X 122 2.009 -17.516 -1.024 1.00 0.00 H new ATOM 0 HG3 GLU X 122 1.670 -15.893 -1.592 1.00 0.00 H new ATOM 244 N LEU X 123 3.169 -16.213 1.550 1.00 0.00 N ATOM 245 CA LEU X 123 2.713 -16.942 2.732 1.00 0.00 C ATOM 246 C LEU X 123 1.589 -17.882 2.307 1.00 0.00 C ATOM 247 O LEU X 123 0.737 -17.501 1.517 1.00 0.00 O ATOM 248 CB LEU X 123 2.192 -15.985 3.822 1.00 0.00 C ATOM 249 CG LEU X 123 3.177 -15.155 4.665 1.00 0.00 C ATOM 250 CD1 LEU X 123 4.024 -16.082 5.511 1.00 0.00 C ATOM 251 CD2 LEU X 123 4.081 -14.265 3.864 1.00 0.00 C ATOM 0 H LEU X 123 2.838 -15.249 1.504 1.00 0.00 H new ATOM 0 HA LEU X 123 3.553 -17.496 3.150 1.00 0.00 H new ATOM 0 HB2 LEU X 123 1.512 -15.284 3.337 1.00 0.00 H new ATOM 0 HB3 LEU X 123 1.596 -16.579 4.515 1.00 0.00 H new ATOM 0 HG LEU X 123 2.562 -14.498 5.280 1.00 0.00 H new ATOM 0 HD11 LEU X 123 4.721 -15.494 6.108 1.00 0.00 H new ATOM 0 HD12 LEU X 123 3.380 -16.662 6.172 1.00 0.00 H new ATOM 0 HD13 LEU X 123 4.581 -16.758 4.863 1.00 0.00 H new ATOM 0 HD21 LEU X 123 4.741 -13.717 4.536 1.00 0.00 H new ATOM 0 HD22 LEU X 123 4.678 -14.871 3.183 1.00 0.00 H new ATOM 0 HD23 LEU X 123 3.481 -13.559 3.290 1.00 0.00 H new ATOM 263 N ALA X 124 1.583 -19.097 2.839 1.00 0.00 N ATOM 264 CA ALA X 124 0.560 -20.107 2.520 1.00 0.00 C ATOM 265 C ALA X 124 -0.867 -19.818 3.057 1.00 0.00 C ATOM 266 O ALA X 124 -1.487 -20.687 3.672 1.00 0.00 O ATOM 267 CB ALA X 124 1.037 -21.466 3.021 1.00 0.00 C ATOM 0 H ALA X 124 2.285 -19.419 3.506 1.00 0.00 H new ATOM 0 HA ALA X 124 0.453 -20.084 1.436 1.00 0.00 H new ATOM 0 HB1 ALA X 124 0.287 -22.223 2.790 1.00 0.00 H new ATOM 0 HB2 ALA X 124 1.976 -21.725 2.532 1.00 0.00 H new ATOM 0 HB3 ALA X 124 1.189 -21.423 4.099 1.00 0.00 H new ATOM 273 N LEU X 125 -1.375 -18.614 2.826 1.00 0.00 N ATOM 274 CA LEU X 125 -2.721 -18.189 3.260 1.00 0.00 C ATOM 275 C LEU X 125 -3.843 -18.847 2.435 1.00 0.00 C ATOM 276 O LEU X 125 -4.702 -18.163 1.894 1.00 0.00 O ATOM 277 CB LEU X 125 -2.867 -16.663 3.162 1.00 0.00 C ATOM 278 CG LEU X 125 -1.909 -15.800 3.980 1.00 0.00 C ATOM 279 CD1 LEU X 125 -2.326 -14.365 3.800 1.00 0.00 C ATOM 280 CD2 LEU X 125 -1.932 -16.150 5.450 1.00 0.00 C ATOM 0 H LEU X 125 -0.864 -17.887 2.325 1.00 0.00 H new ATOM 0 HA LEU X 125 -2.823 -18.512 4.296 1.00 0.00 H new ATOM 0 HB2 LEU X 125 -2.758 -16.383 2.114 1.00 0.00 H new ATOM 0 HB3 LEU X 125 -3.884 -16.405 3.456 1.00 0.00 H new ATOM 0 HG LEU X 125 -0.892 -15.973 3.629 1.00 0.00 H new ATOM 0 HD11 LEU X 125 -1.661 -13.718 4.372 1.00 0.00 H new ATOM 0 HD12 LEU X 125 -2.270 -14.100 2.744 1.00 0.00 H new ATOM 0 HD13 LEU X 125 -3.349 -14.236 4.153 1.00 0.00 H new ATOM 0 HD21 LEU X 125 -1.234 -15.508 5.988 1.00 0.00 H new ATOM 0 HD22 LEU X 125 -2.938 -16.002 5.844 1.00 0.00 H new ATOM 0 HD23 LEU X 125 -1.641 -17.192 5.580 1.00 0.00 H new ATOM 292 N ARG X 126 -3.810 -20.166 2.302 1.00 0.00 N ATOM 293 CA ARG X 126 -4.817 -20.905 1.524 1.00 0.00 C ATOM 294 C ARG X 126 -6.201 -20.576 2.087 1.00 0.00 C ATOM 295 O ARG X 126 -7.168 -20.438 1.345 1.00 0.00 O ATOM 296 CB ARG X 126 -4.490 -22.416 1.579 1.00 0.00 C ATOM 297 CG ARG X 126 -5.431 -23.379 0.803 1.00 0.00 C ATOM 298 CD ARG X 126 -6.810 -23.589 1.438 1.00 0.00 C ATOM 299 NE ARG X 126 -7.614 -24.531 0.659 1.00 0.00 N ATOM 300 CZ ARG X 126 -8.869 -24.834 0.941 1.00 0.00 C ATOM 301 NH1 ARG X 126 -9.465 -24.274 1.957 1.00 0.00 N ATOM 302 NH2 ARG X 126 -9.521 -25.694 0.205 1.00 0.00 N ATOM 0 H ARG X 126 -3.094 -20.758 2.723 1.00 0.00 H new ATOM 0 HA ARG X 126 -4.807 -20.613 0.474 1.00 0.00 H new ATOM 0 HB2 ARG X 126 -3.478 -22.556 1.200 1.00 0.00 H new ATOM 0 HB3 ARG X 126 -4.483 -22.722 2.625 1.00 0.00 H new ATOM 0 HG2 ARG X 126 -5.568 -22.993 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG X 126 -4.939 -24.347 0.711 1.00 0.00 H new ATOM 0 HD2 ARG X 126 -6.692 -23.962 2.455 1.00 0.00 H new ATOM 0 HD3 ARG X 126 -7.330 -22.634 1.508 1.00 0.00 H new ATOM 0 HE ARG X 126 -7.181 -24.980 -0.148 1.00 0.00 H new ATOM 0 HH11 ARG X 126 -8.962 -23.601 2.535 1.00 0.00 H new ATOM 0 HH12 ARG X 126 -10.434 -24.509 2.173 1.00 0.00 H new ATOM 0 HH21 ARG X 126 -9.062 -26.135 -0.592 1.00 0.00 H new ATOM 0 HH22 ARG X 126 -10.490 -25.924 0.427 1.00 0.00 H new ATOM 316 N GLY X 127 -6.283 -20.446 3.402 1.00 0.00 N ATOM 317 CA GLY X 127 -7.536 -20.108 4.053 1.00 0.00 C ATOM 318 C GLY X 127 -7.276 -19.174 5.216 1.00 0.00 C ATOM 319 O GLY X 127 -6.182 -19.176 5.769 1.00 0.00 O ATOM 0 H GLY X 127 -5.496 -20.570 4.038 1.00 0.00 H new ATOM 0 HA2 GLY X 127 -8.211 -19.635 3.339 1.00 0.00 H new ATOM 0 HA3 GLY X 127 -8.029 -21.014 4.406 1.00 0.00 H new ATOM 323 N GLY X 128 -8.280 -18.393 5.591 1.00 0.00 N ATOM 324 CA GLY X 128 -8.144 -17.446 6.691 1.00 0.00 C ATOM 325 C GLY X 128 -7.549 -16.118 6.251 1.00 0.00 C ATOM 326 O GLY X 128 -7.076 -15.997 5.123 1.00 0.00 O ATOM 0 H GLY X 128 -9.199 -18.396 5.149 1.00 0.00 H new ATOM 0 HA2 GLY X 128 -9.123 -17.271 7.137 1.00 0.00 H new ATOM 0 HA3 GLY X 128 -7.514 -17.883 7.466 1.00 0.00 H new ATOM 330 N PRO X 129 -7.559 -15.100 7.125 1.00 0.00 N ATOM 331 CA PRO X 129 -7.010 -13.789 6.756 1.00 0.00 C ATOM 332 C PRO X 129 -5.492 -13.711 6.856 1.00 0.00 C ATOM 333 O PRO X 129 -4.811 -14.658 7.236 1.00 0.00 O ATOM 334 CB PRO X 129 -7.606 -12.870 7.836 1.00 0.00 C ATOM 335 CG PRO X 129 -7.692 -13.757 9.021 1.00 0.00 C ATOM 336 CD PRO X 129 -8.145 -15.078 8.479 1.00 0.00 C ATOM 0 HA PRO X 129 -7.249 -13.541 5.722 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.970 -12.005 8.025 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -8.585 -12.489 7.546 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -6.727 -13.844 9.520 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -8.397 -13.368 9.756 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -7.786 -15.908 9.087 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -9.232 -15.151 8.449 1.00 0.00 H new ATOM 344 N GLY X 130 -4.979 -12.534 6.550 1.00 0.00 N ATOM 345 CA GLY X 130 -3.566 -12.251 6.620 1.00 0.00 C ATOM 346 C GLY X 130 -3.649 -10.758 6.501 1.00 0.00 C ATOM 347 O GLY X 130 -4.714 -10.289 6.129 1.00 0.00 O ATOM 0 H GLY X 130 -5.542 -11.741 6.243 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -3.112 -12.579 7.555 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.999 -12.712 5.811 1.00 0.00 H new ATOM 351 N TRP X 131 -2.609 -10.009 6.811 1.00 0.00 N ATOM 352 CA TRP X 131 -2.678 -8.549 6.733 1.00 0.00 C ATOM 353 C TRP X 131 -1.517 -7.918 5.959 1.00 0.00 C ATOM 354 O TRP X 131 -0.363 -8.187 6.281 1.00 0.00 O ATOM 355 CB TRP X 131 -2.741 -8.034 8.175 1.00 0.00 C ATOM 356 CG TRP X 131 -4.059 -8.450 8.812 1.00 0.00 C ATOM 357 CD1 TRP X 131 -4.363 -9.649 9.399 1.00 0.00 C ATOM 358 CD2 TRP X 131 -5.255 -7.658 8.922 1.00 0.00 C ATOM 359 NE1 TRP X 131 -5.662 -9.662 9.825 1.00 0.00 N ATOM 360 CE2 TRP X 131 -6.236 -8.453 9.553 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.591 -6.357 8.550 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -7.523 -7.988 9.804 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.868 -5.886 8.806 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.824 -6.706 9.426 1.00 0.00 C ATOM 0 H TRP X 131 -1.708 -10.377 7.118 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.563 -8.260 6.167 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.906 -8.433 8.751 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.647 -6.948 8.188 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -3.672 -10.471 9.510 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -6.128 -10.450 10.275 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.863 -5.723 8.067 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -8.260 -8.617 10.281 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -7.131 -4.877 8.526 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.816 -6.319 9.608 1.00 0.00 H new ATOM 375 N CYS X 132 -1.821 -7.102 4.949 1.00 0.00 N ATOM 376 CA CYS X 132 -0.791 -6.406 4.168 1.00 0.00 C ATOM 377 C CYS X 132 -0.257 -5.386 5.137 1.00 0.00 C ATOM 378 O CYS X 132 -0.908 -4.365 5.339 1.00 0.00 O ATOM 379 CB CYS X 132 -1.412 -5.703 2.985 1.00 0.00 C ATOM 380 SG CYS X 132 -0.285 -4.680 2.105 1.00 0.00 S ATOM 0 H CYS X 132 -2.776 -6.905 4.650 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.029 -7.079 3.774 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -1.821 -6.449 2.304 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.248 -5.095 3.332 1.00 0.00 H new ATOM 385 N ASP X 133 0.904 -5.632 5.727 1.00 0.00 N ATOM 386 CA ASP X 133 1.403 -4.701 6.757 1.00 0.00 C ATOM 387 C ASP X 133 1.526 -3.289 6.201 1.00 0.00 C ATOM 388 O ASP X 133 1.323 -2.308 6.906 1.00 0.00 O ATOM 389 CB ASP X 133 2.646 -5.227 7.491 1.00 0.00 C ATOM 390 CG ASP X 133 3.869 -5.248 6.643 1.00 0.00 C ATOM 391 OD1 ASP X 133 4.508 -4.186 6.661 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.359 -6.381 6.364 1.00 0.00 O ATOM 0 H ASP X 133 1.505 -6.432 5.529 1.00 0.00 H new ATOM 0 HA ASP X 133 0.657 -4.639 7.549 1.00 0.00 H new ATOM 0 HB2 ASP X 133 2.831 -4.606 8.367 1.00 0.00 H new ATOM 0 HB3 ASP X 133 2.446 -6.236 7.852 1.00 0.00 H new ATOM 397 N LEU X 134 1.799 -3.216 4.910 1.00 0.00 N ATOM 398 CA LEU X 134 1.866 -1.955 4.197 1.00 0.00 C ATOM 399 C LEU X 134 0.506 -1.216 4.226 1.00 0.00 C ATOM 400 O LEU X 134 0.436 -0.044 4.583 1.00 0.00 O ATOM 401 CB LEU X 134 2.292 -2.232 2.752 1.00 0.00 C ATOM 402 CG LEU X 134 1.936 -1.166 1.715 1.00 0.00 C ATOM 403 CD1 LEU X 134 2.621 0.153 1.987 1.00 0.00 C ATOM 404 CD2 LEU X 134 2.324 -1.660 0.359 1.00 0.00 C ATOM 0 H LEU X 134 1.981 -4.032 4.326 1.00 0.00 H new ATOM 0 HA LEU X 134 2.595 -1.309 4.685 1.00 0.00 H new ATOM 0 HB2 LEU X 134 3.373 -2.374 2.737 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.842 -3.174 2.439 1.00 0.00 H new ATOM 0 HG LEU X 134 0.862 -0.990 1.771 1.00 0.00 H new ATOM 0 HD11 LEU X 134 2.335 0.876 1.223 1.00 0.00 H new ATOM 0 HD12 LEU X 134 2.321 0.524 2.967 1.00 0.00 H new ATOM 0 HD13 LEU X 134 3.702 0.013 1.968 1.00 0.00 H new ATOM 0 HD21 LEU X 134 2.074 -0.907 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU X 134 3.397 -1.853 0.335 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.785 -2.581 0.139 1.00 0.00 H new ATOM 416 N CYS X 135 -0.563 -1.899 3.816 1.00 0.00 N ATOM 417 CA CYS X 135 -1.891 -1.279 3.770 1.00 0.00 C ATOM 418 C CYS X 135 -2.623 -1.215 5.116 1.00 0.00 C ATOM 419 O CYS X 135 -3.464 -0.348 5.359 1.00 0.00 O ATOM 420 CB CYS X 135 -2.768 -2.042 2.764 1.00 0.00 C ATOM 421 SG CYS X 135 -2.268 -1.816 1.063 1.00 0.00 S ATOM 0 H CYS X 135 -0.539 -2.873 3.513 1.00 0.00 H new ATOM 0 HA CYS X 135 -1.723 -0.245 3.470 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -2.741 -3.105 3.004 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -3.802 -1.717 2.876 1.00 0.00 H new ATOM 426 N GLY X 136 -2.335 -2.180 5.967 1.00 0.00 N ATOM 427 CA GLY X 136 -2.986 -2.276 7.260 1.00 0.00 C ATOM 428 C GLY X 136 -4.323 -2.972 7.086 1.00 0.00 C ATOM 429 O GLY X 136 -5.091 -3.129 8.034 1.00 0.00 O ATOM 0 H GLY X 136 -1.650 -2.913 5.785 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.359 -2.832 7.957 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.131 -1.282 7.684 1.00 0.00 H new ATOM 433 N ARG X 137 -4.617 -3.364 5.849 1.00 0.00 N ATOM 434 CA ARG X 137 -5.865 -4.041 5.485 1.00 0.00 C ATOM 435 C ARG X 137 -5.624 -5.517 5.197 1.00 0.00 C ATOM 436 O ARG X 137 -4.561 -5.894 4.712 1.00 0.00 O ATOM 437 CB ARG X 137 -6.444 -3.385 4.228 1.00 0.00 C ATOM 438 CG ARG X 137 -6.631 -1.862 4.318 1.00 0.00 C ATOM 439 CD ARG X 137 -7.687 -1.452 5.326 1.00 0.00 C ATOM 440 NE ARG X 137 -7.257 -1.626 6.712 1.00 0.00 N ATOM 441 CZ ARG X 137 -7.996 -1.352 7.767 1.00 0.00 C ATOM 442 NH1 ARG X 137 -9.204 -0.880 7.624 1.00 0.00 N ATOM 443 NH2 ARG X 137 -7.516 -1.556 8.963 1.00 0.00 N ATOM 0 H ARG X 137 -3.989 -3.220 5.059 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.559 -3.954 6.321 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.788 -3.606 3.386 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.409 -3.842 4.009 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -5.681 -1.400 4.588 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -6.905 -1.477 3.336 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -7.950 -0.407 5.162 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -8.590 -2.039 5.156 1.00 0.00 H new ATOM 0 HE ARG X 137 -6.316 -1.986 6.874 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -9.582 -0.721 6.690 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -9.770 -0.670 8.446 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -6.572 -1.926 9.078 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -8.084 -1.345 9.783 1.00 0.00 H new ATOM 457 N GLU X 138 -6.608 -6.344 5.503 1.00 0.00 N ATOM 458 CA GLU X 138 -6.509 -7.781 5.266 1.00 0.00 C ATOM 459 C GLU X 138 -6.288 -8.160 3.796 1.00 0.00 C ATOM 460 O GLU X 138 -6.831 -7.546 2.877 1.00 0.00 O ATOM 461 CB GLU X 138 -7.716 -8.518 5.853 1.00 0.00 C ATOM 462 CG GLU X 138 -9.063 -8.112 5.280 1.00 0.00 C ATOM 463 CD GLU X 138 -10.209 -8.878 5.927 1.00 0.00 C ATOM 464 OE1 GLU X 138 -9.920 -9.734 6.793 1.00 0.00 O ATOM 465 OE2 GLU X 138 -11.368 -8.540 5.609 1.00 0.00 O ATOM 0 H GLU X 138 -7.491 -6.047 5.919 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.608 -8.105 5.788 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -7.580 -9.588 5.696 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -7.733 -8.354 6.930 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.213 -7.042 5.427 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -9.069 -8.290 4.205 1.00 0.00 H new ATOM 472 N VAL X 139 -5.460 -9.169 3.597 1.00 0.00 N ATOM 473 CA VAL X 139 -5.105 -9.680 2.274 1.00 0.00 C ATOM 474 C VAL X 139 -5.806 -10.982 1.880 1.00 0.00 C ATOM 475 O VAL X 139 -5.408 -12.063 2.292 1.00 0.00 O ATOM 476 CB VAL X 139 -3.570 -9.931 2.174 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.850 -8.676 1.977 1.00 0.00 C ATOM 478 CG2 VAL X 139 -3.025 -10.507 3.431 1.00 0.00 C ATOM 0 H VAL X 139 -5.004 -9.669 4.360 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.439 -8.901 1.588 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.435 -10.615 1.336 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.781 -8.877 1.910 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.189 -8.203 1.055 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -3.042 -8.010 2.818 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -1.952 -10.668 3.322 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.207 -9.818 4.256 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.515 -11.458 3.638 1.00 0.00 H new ATOM 488 N LEU X 140 -6.858 -10.878 1.076 1.00 0.00 N ATOM 489 CA LEU X 140 -7.566 -12.075 0.601 1.00 0.00 C ATOM 490 C LEU X 140 -6.551 -12.952 -0.159 1.00 0.00 C ATOM 491 O LEU X 140 -6.442 -14.155 0.055 1.00 0.00 O ATOM 492 CB LEU X 140 -8.792 -11.713 -0.268 1.00 0.00 C ATOM 493 CG LEU X 140 -8.665 -10.933 -1.596 1.00 0.00 C ATOM 494 CD1 LEU X 140 -10.053 -10.779 -2.165 1.00 0.00 C ATOM 495 CD2 LEU X 140 -8.056 -9.539 -1.457 1.00 0.00 C ATOM 0 H LEU X 140 -7.240 -9.994 0.740 1.00 0.00 H new ATOM 0 HA LEU X 140 -7.968 -12.631 1.448 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.296 -12.651 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.467 -11.140 0.368 1.00 0.00 H new ATOM 0 HG LEU X 140 -7.991 -11.502 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -10.002 -10.231 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -10.485 -11.764 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -10.677 -10.230 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -8.005 -9.065 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -8.676 -8.936 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -7.052 -9.620 -1.041 1.00 0.00 H new ATOM 507 N ARG X 141 -5.806 -12.310 -1.052 1.00 0.00 N ATOM 508 CA ARG X 141 -4.748 -12.965 -1.825 1.00 0.00 C ATOM 509 C ARG X 141 -3.608 -13.336 -0.878 1.00 0.00 C ATOM 510 O ARG X 141 -3.308 -12.604 0.044 1.00 0.00 O ATOM 511 CB ARG X 141 -4.275 -12.049 -2.972 1.00 0.00 C ATOM 512 CG ARG X 141 -2.889 -12.388 -3.555 1.00 0.00 C ATOM 513 CD ARG X 141 -2.797 -13.730 -4.297 1.00 0.00 C ATOM 514 NE ARG X 141 -1.409 -13.929 -4.727 1.00 0.00 N ATOM 515 CZ ARG X 141 -0.798 -15.102 -4.793 1.00 0.00 C ATOM 516 NH1 ARG X 141 -1.410 -16.204 -4.481 1.00 0.00 N ATOM 517 NH2 ARG X 141 0.450 -15.160 -5.163 1.00 0.00 N ATOM 0 H ARG X 141 -5.916 -11.318 -1.263 1.00 0.00 H new ATOM 0 HA ARG X 141 -5.126 -13.877 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -5.010 -12.092 -3.776 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -4.258 -11.021 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -2.597 -11.592 -4.241 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -2.163 -12.391 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -3.113 -14.545 -3.646 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -3.465 -13.733 -5.159 1.00 0.00 H new ATOM 0 HE ARG X 141 -0.875 -13.103 -4.995 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -2.383 -16.178 -4.177 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -0.917 -17.095 -4.540 1.00 0.00 H new ATOM 0 HH21 ARG X 141 0.952 -14.304 -5.400 1.00 0.00 H new ATOM 0 HH22 ARG X 141 0.925 -16.061 -5.215 1.00 0.00 H new ATOM 531 N GLN X 142 -2.964 -14.457 -1.139 1.00 0.00 N ATOM 532 CA GLN X 142 -1.848 -14.933 -0.343 1.00 0.00 C ATOM 533 C GLN X 142 -0.754 -13.869 -0.413 1.00 0.00 C ATOM 534 O GLN X 142 -0.212 -13.551 -1.472 1.00 0.00 O ATOM 535 CB GLN X 142 -1.356 -16.261 -0.915 1.00 0.00 C ATOM 536 CG GLN X 142 -2.353 -17.430 -0.777 1.00 0.00 C ATOM 537 CD GLN X 142 -3.638 -17.222 -1.567 1.00 0.00 C ATOM 538 OE1 GLN X 142 -3.613 -16.893 -2.750 1.00 0.00 O ATOM 539 NE2 GLN X 142 -4.757 -17.366 -0.909 1.00 0.00 N ATOM 0 H GLN X 142 -3.203 -15.070 -1.918 1.00 0.00 H new ATOM 0 HA GLN X 142 -2.136 -15.099 0.695 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -1.123 -16.122 -1.971 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -0.426 -16.534 -0.416 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -1.873 -18.349 -1.113 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -2.600 -17.565 0.276 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -4.739 -17.641 0.073 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -5.649 -17.204 -1.377 1.00 0.00 H new ATOM 548 N ALA X 143 -0.491 -13.298 0.747 1.00 0.00 N ATOM 549 CA ALA X 143 0.480 -12.238 0.932 1.00 0.00 C ATOM 550 C ALA X 143 1.892 -12.514 0.443 1.00 0.00 C ATOM 551 O ALA X 143 2.490 -13.530 0.751 1.00 0.00 O ATOM 552 CB ALA X 143 0.496 -11.876 2.333 1.00 0.00 C ATOM 0 H ALA X 143 -0.961 -13.567 1.611 1.00 0.00 H new ATOM 0 HA ALA X 143 0.147 -11.421 0.292 1.00 0.00 H new ATOM 0 HB1 ALA X 143 1.221 -11.079 2.494 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.494 -11.532 2.631 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.773 -12.745 2.930 1.00 0.00 H new ATOM 558 N LEU X 144 2.417 -11.566 -0.309 1.00 0.00 N ATOM 559 CA LEU X 144 3.765 -11.638 -0.864 1.00 0.00 C ATOM 560 C LEU X 144 4.738 -10.877 0.028 1.00 0.00 C ATOM 561 O LEU X 144 4.673 -9.660 0.110 1.00 0.00 O ATOM 562 CB LEU X 144 3.698 -11.049 -2.265 1.00 0.00 C ATOM 563 CG LEU X 144 3.013 -11.993 -3.273 1.00 0.00 C ATOM 564 CD1 LEU X 144 2.837 -11.310 -4.587 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.847 -13.216 -3.549 1.00 0.00 C ATOM 0 H LEU X 144 1.918 -10.712 -0.558 1.00 0.00 H new ATOM 0 HA LEU X 144 4.126 -12.665 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.156 -10.104 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.708 -10.826 -2.610 1.00 0.00 H new ATOM 0 HG LEU X 144 2.058 -12.273 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU X 144 2.352 -11.989 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU X 144 2.219 -10.422 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU X 144 3.811 -11.019 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.329 -13.856 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.809 -12.914 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU X 144 4.007 -13.765 -2.621 1.00 0.00 H new ATOM 577 N ARG X 145 5.630 -11.583 0.715 1.00 0.00 N ATOM 578 CA ARG X 145 6.564 -10.919 1.628 1.00 0.00 C ATOM 579 C ARG X 145 7.975 -10.771 1.139 1.00 0.00 C ATOM 580 O ARG X 145 8.745 -11.723 1.198 1.00 0.00 O ATOM 581 CB ARG X 145 6.606 -11.655 2.979 1.00 0.00 C ATOM 582 CG ARG X 145 7.565 -10.985 4.001 1.00 0.00 C ATOM 583 CD ARG X 145 7.686 -11.731 5.335 1.00 0.00 C ATOM 584 NE ARG X 145 6.471 -11.724 6.152 1.00 0.00 N ATOM 585 CZ ARG X 145 6.132 -10.739 6.972 1.00 0.00 C ATOM 586 NH1 ARG X 145 6.880 -9.675 7.086 1.00 0.00 N ATOM 587 NH2 ARG X 145 5.040 -10.823 7.677 1.00 0.00 N ATOM 0 H ARG X 145 5.729 -12.597 0.662 1.00 0.00 H new ATOM 0 HA ARG X 145 6.164 -9.909 1.714 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.601 -11.690 3.400 1.00 0.00 H new ATOM 0 HB3 ARG X 145 6.919 -12.686 2.816 1.00 0.00 H new ATOM 0 HG2 ARG X 145 8.555 -10.903 3.553 1.00 0.00 H new ATOM 0 HG3 ARG X 145 7.218 -9.970 4.196 1.00 0.00 H new ATOM 0 HD2 ARG X 145 7.966 -12.765 5.133 1.00 0.00 H new ATOM 0 HD3 ARG X 145 8.498 -11.287 5.911 1.00 0.00 H new ATOM 0 HE ARG X 145 5.846 -12.527 6.086 1.00 0.00 H new ATOM 0 HH11 ARG X 145 7.738 -9.594 6.540 1.00 0.00 H new ATOM 0 HH12 ARG X 145 6.607 -8.925 7.721 1.00 0.00 H new ATOM 0 HH21 ARG X 145 4.444 -11.647 7.599 1.00 0.00 H new ATOM 0 HH22 ARG X 145 4.780 -10.064 8.308 1.00 0.00 H new ATOM 601 N CYS X 146 8.366 -9.605 0.662 1.00 0.00 N ATOM 602 CA CYS X 146 9.756 -9.472 0.263 1.00 0.00 C ATOM 603 C CYS X 146 10.544 -9.228 1.557 1.00 0.00 C ATOM 604 O CYS X 146 10.812 -8.095 1.961 1.00 0.00 O ATOM 605 CB CYS X 146 9.990 -8.398 -0.762 1.00 0.00 C ATOM 606 SG CYS X 146 11.781 -8.163 -1.033 1.00 0.00 S ATOM 0 H CYS X 146 7.781 -8.778 0.545 1.00 0.00 H new ATOM 0 HA CYS X 146 10.090 -10.378 -0.242 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.505 -8.669 -1.700 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.540 -7.463 -0.429 1.00 0.00 H new ATOM 611 N ALA X 147 10.867 -10.326 2.213 1.00 0.00 N ATOM 612 CA ALA X 147 11.587 -10.311 3.480 1.00 0.00 C ATOM 613 C ALA X 147 12.972 -9.668 3.368 1.00 0.00 C ATOM 614 O ALA X 147 13.607 -9.398 4.374 1.00 0.00 O ATOM 615 CB ALA X 147 11.689 -11.725 4.018 1.00 0.00 C ATOM 0 H ALA X 147 10.637 -11.263 1.882 1.00 0.00 H new ATOM 0 HA ALA X 147 11.021 -9.692 4.176 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.227 -11.716 4.966 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.688 -12.128 4.173 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.225 -12.349 3.303 1.00 0.00 H new ATOM 621 N ASN X 148 13.442 -9.445 2.146 1.00 0.00 N ATOM 622 CA ASN X 148 14.741 -8.813 1.944 1.00 0.00 C ATOM 623 C ASN X 148 14.772 -7.390 2.437 1.00 0.00 C ATOM 624 O ASN X 148 15.840 -6.867 2.743 1.00 0.00 O ATOM 625 CB ASN X 148 15.151 -8.769 0.464 1.00 0.00 C ATOM 626 CG ASN X 148 15.397 -10.120 -0.131 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.286 -11.139 0.526 1.00 0.00 O ATOM 628 ND2 ASN X 148 15.711 -10.136 -1.400 1.00 0.00 N ATOM 0 H ASN X 148 12.949 -9.690 1.287 1.00 0.00 H new ATOM 0 HA ASN X 148 15.433 -9.432 2.515 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.369 -8.267 -0.106 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.054 -8.167 0.364 1.00 0.00 H new ATOM 0 HD21 ASN X 148 15.873 -11.024 -1.874 1.00 0.00 H new ATOM 0 HD22 ASN X 148 15.794 -9.260 -1.916 1.00 0.00 H new ATOM 635 N CYS X 149 13.614 -6.751 2.493 1.00 0.00 N ATOM 636 CA CYS X 149 13.596 -5.365 2.880 1.00 0.00 C ATOM 637 C CYS X 149 12.269 -4.761 3.309 1.00 0.00 C ATOM 638 O CYS X 149 12.190 -4.003 4.277 1.00 0.00 O ATOM 639 CB CYS X 149 14.072 -4.625 1.622 1.00 0.00 C ATOM 640 SG CYS X 149 13.135 -5.056 0.133 1.00 0.00 S ATOM 0 H CYS X 149 12.705 -7.161 2.281 1.00 0.00 H new ATOM 0 HA CYS X 149 14.209 -5.272 3.777 1.00 0.00 H new ATOM 0 HB2 CYS X 149 13.996 -3.551 1.791 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.126 -4.848 1.456 1.00 0.00 H new ATOM 645 N LYS X 150 11.248 -5.061 2.535 1.00 0.00 N ATOM 646 CA LYS X 150 9.925 -4.505 2.750 1.00 0.00 C ATOM 647 C LYS X 150 8.922 -5.274 3.630 1.00 0.00 C ATOM 648 O LYS X 150 9.183 -5.553 4.792 1.00 0.00 O ATOM 649 CB LYS X 150 9.357 -4.110 1.388 1.00 0.00 C ATOM 650 CG LYS X 150 10.186 -3.031 0.721 1.00 0.00 C ATOM 651 CD LYS X 150 9.602 -2.708 -0.604 1.00 0.00 C ATOM 652 CE LYS X 150 10.387 -1.607 -1.332 1.00 0.00 C ATOM 653 NZ LYS X 150 10.409 -0.295 -0.611 1.00 0.00 N ATOM 0 H LYS X 150 11.309 -5.696 1.739 1.00 0.00 H new ATOM 0 HA LYS X 150 10.079 -3.642 3.398 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.317 -4.988 0.743 1.00 0.00 H new ATOM 0 HB3 LYS X 150 8.333 -3.757 1.510 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.212 -2.139 1.346 1.00 0.00 H new ATOM 0 HG3 LYS X 150 11.216 -3.369 0.604 1.00 0.00 H new ATOM 0 HD2 LYS X 150 9.584 -3.607 -1.220 1.00 0.00 H new ATOM 0 HD3 LYS X 150 8.568 -2.390 -0.475 1.00 0.00 H new ATOM 0 HE2 LYS X 150 11.413 -1.945 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS X 150 9.953 -1.459 -2.321 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 10.868 0.422 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 9.435 0.002 -0.401 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 10.940 -0.396 0.278 1.00 0.00 H new ATOM 667 N PHE X 151 7.754 -5.548 3.074 1.00 0.00 N ATOM 668 CA PHE X 151 6.643 -6.168 3.778 1.00 0.00 C ATOM 669 C PHE X 151 5.931 -7.341 3.142 1.00 0.00 C ATOM 670 O PHE X 151 6.263 -7.753 2.034 1.00 0.00 O ATOM 671 CB PHE X 151 5.612 -5.054 3.844 1.00 0.00 C ATOM 672 CG PHE X 151 5.776 -4.011 2.787 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.471 -4.275 1.463 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.216 -2.743 3.133 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.616 -3.300 0.511 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.361 -1.767 2.183 1.00 0.00 C ATOM 677 CZ PHE X 151 6.059 -2.036 0.876 1.00 0.00 C ATOM 0 H PHE X 151 7.547 -5.341 2.097 1.00 0.00 H new ATOM 0 HA PHE X 151 7.055 -6.579 4.700 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.616 -5.489 3.759 1.00 0.00 H new ATOM 0 HB3 PHE X 151 5.669 -4.577 4.823 1.00 0.00 H new ATOM 0 HD1 PHE X 151 5.117 -5.255 1.179 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.447 -2.522 4.164 1.00 0.00 H new ATOM 0 HE1 PHE X 151 5.386 -3.515 -0.522 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.713 -0.786 2.465 1.00 0.00 H new ATOM 0 HZ PHE X 151 6.165 -1.264 0.128 1.00 0.00 H new ATOM 687 N THR X 152 4.910 -7.833 3.847 1.00 0.00 N ATOM 688 CA THR X 152 4.057 -8.915 3.370 1.00 0.00 C ATOM 689 C THR X 152 2.852 -8.156 2.831 1.00 0.00 C ATOM 690 O THR X 152 2.033 -7.653 3.570 1.00 0.00 O ATOM 691 CB THR X 152 3.736 -9.967 4.479 1.00 0.00 C ATOM 692 OG1 THR X 152 3.039 -11.067 3.908 1.00 0.00 O ATOM 693 CG2 THR X 152 2.881 -9.446 5.611 1.00 0.00 C ATOM 0 H THR X 152 4.653 -7.487 4.771 1.00 0.00 H new ATOM 0 HA THR X 152 4.516 -9.546 2.609 1.00 0.00 H new ATOM 0 HB THR X 152 4.705 -10.246 4.892 1.00 0.00 H new ATOM 0 HG1 THR X 152 2.840 -11.726 4.606 1.00 0.00 H new ATOM 0 HG21 THR X 152 2.709 -10.244 6.334 1.00 0.00 H new ATOM 0 HG22 THR X 152 3.391 -8.617 6.101 1.00 0.00 H new ATOM 0 HG23 THR X 152 1.925 -9.102 5.216 1.00 0.00 H new ATOM 701 N CYS X 153 2.813 -7.980 1.526 1.00 0.00 N ATOM 702 CA CYS X 153 1.766 -7.173 0.912 1.00 0.00 C ATOM 703 C CYS X 153 0.741 -7.788 -0.043 1.00 0.00 C ATOM 704 O CYS X 153 0.946 -8.871 -0.608 1.00 0.00 O ATOM 705 CB CYS X 153 2.499 -6.112 0.100 1.00 0.00 C ATOM 706 SG CYS X 153 3.582 -6.783 -1.171 1.00 0.00 S ATOM 0 H CYS X 153 3.485 -8.379 0.871 1.00 0.00 H new ATOM 0 HA CYS X 153 1.154 -6.873 1.763 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.765 -5.458 -0.371 1.00 0.00 H new ATOM 0 HB3 CYS X 153 3.089 -5.494 0.777 1.00 0.00 H new ATOM 0 HG CYS X 153 3.935 -7.991 -0.846 1.00 0.00 H new ATOM 712 N HIS X 154 -0.345 -7.047 -0.255 1.00 0.00 N ATOM 713 CA HIS X 154 -1.374 -7.452 -1.249 1.00 0.00 C ATOM 714 C HIS X 154 -0.688 -7.460 -2.625 1.00 0.00 C ATOM 715 O HIS X 154 0.085 -6.544 -2.955 1.00 0.00 O ATOM 716 CB HIS X 154 -2.554 -6.472 -1.506 1.00 0.00 C ATOM 717 CG HIS X 154 -3.427 -6.156 -0.341 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.121 -5.177 0.596 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.651 -6.682 0.000 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.165 -5.181 1.482 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.078 -6.073 1.134 1.00 0.00 N ATOM 0 H HIS X 154 -0.546 -6.174 0.233 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.768 -8.383 -0.842 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.143 -5.537 -1.887 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.178 -6.891 -2.295 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.182 -7.450 -0.543 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.234 -4.541 2.349 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -5.948 -6.268 1.630 1.00 0.00 H new ATOM 729 N SER X 155 -1.004 -8.437 -3.461 1.00 0.00 N ATOM 730 CA SER X 155 -0.424 -8.464 -4.802 1.00 0.00 C ATOM 731 C SER X 155 -0.742 -7.128 -5.481 1.00 0.00 C ATOM 732 O SER X 155 0.106 -6.527 -6.108 1.00 0.00 O ATOM 733 CB SER X 155 -0.970 -9.637 -5.614 1.00 0.00 C ATOM 734 OG SER X 155 -2.381 -9.568 -5.733 1.00 0.00 O ATOM 0 H SER X 155 -1.641 -9.204 -3.247 1.00 0.00 H new ATOM 0 HA SER X 155 0.655 -8.602 -4.738 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.519 -9.637 -6.606 1.00 0.00 H new ATOM 0 HB3 SER X 155 -0.689 -10.575 -5.136 1.00 0.00 H new ATOM 0 HG SER X 155 -2.703 -10.330 -6.259 1.00 0.00 H new ATOM 740 N GLU X 156 -1.975 -6.670 -5.338 1.00 0.00 N ATOM 741 CA GLU X 156 -2.398 -5.396 -5.914 1.00 0.00 C ATOM 742 C GLU X 156 -1.662 -4.146 -5.381 1.00 0.00 C ATOM 743 O GLU X 156 -1.418 -3.223 -6.155 1.00 0.00 O ATOM 744 CB GLU X 156 -3.921 -5.256 -5.789 1.00 0.00 C ATOM 745 CG GLU X 156 -4.430 -5.296 -4.360 1.00 0.00 C ATOM 746 CD GLU X 156 -5.938 -5.180 -4.257 1.00 0.00 C ATOM 747 OE1 GLU X 156 -6.596 -5.256 -5.314 1.00 0.00 O ATOM 748 OE2 GLU X 156 -6.415 -5.218 -3.103 1.00 0.00 O ATOM 0 H GLU X 156 -2.707 -7.162 -4.826 1.00 0.00 H new ATOM 0 HA GLU X 156 -2.108 -5.432 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -4.228 -4.316 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -4.397 -6.056 -6.356 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -4.112 -6.229 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -3.971 -4.485 -3.795 1.00 0.00 H new ATOM 755 N CYS X 157 -1.272 -4.100 -4.103 1.00 0.00 N ATOM 756 CA CYS X 157 -0.555 -2.927 -3.602 1.00 0.00 C ATOM 757 C CYS X 157 0.891 -2.953 -4.113 1.00 0.00 C ATOM 758 O CYS X 157 1.560 -1.914 -4.131 1.00 0.00 O ATOM 759 CB CYS X 157 -0.676 -2.725 -2.072 1.00 0.00 C ATOM 760 SG CYS X 157 -0.126 -4.031 -1.079 1.00 0.00 S ATOM 0 H CYS X 157 -1.435 -4.837 -3.417 1.00 0.00 H new ATOM 0 HA CYS X 157 -1.039 -2.038 -4.006 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.117 -1.830 -1.800 1.00 0.00 H new ATOM 0 HB3 CYS X 157 -1.722 -2.532 -1.834 1.00 0.00 H new ATOM 765 N ARG X 158 1.360 -4.116 -4.579 1.00 0.00 N ATOM 766 CA ARG X 158 2.723 -4.193 -5.161 1.00 0.00 C ATOM 767 C ARG X 158 2.850 -3.202 -6.305 1.00 0.00 C ATOM 768 O ARG X 158 3.939 -2.773 -6.632 1.00 0.00 O ATOM 769 CB ARG X 158 3.077 -5.553 -5.749 1.00 0.00 C ATOM 770 CG ARG X 158 3.191 -6.693 -4.781 1.00 0.00 C ATOM 771 CD ARG X 158 3.399 -7.973 -5.568 1.00 0.00 C ATOM 772 NE ARG X 158 4.642 -7.951 -6.342 1.00 0.00 N ATOM 773 CZ ARG X 158 4.988 -8.881 -7.216 1.00 0.00 C ATOM 774 NH1 ARG X 158 4.202 -9.894 -7.445 1.00 0.00 N ATOM 775 NH2 ARG X 158 6.111 -8.782 -7.876 1.00 0.00 N ATOM 0 H ARG X 158 0.843 -4.995 -4.571 1.00 0.00 H new ATOM 0 HA ARG X 158 3.394 -3.983 -4.328 1.00 0.00 H new ATOM 0 HB2 ARG X 158 2.322 -5.810 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG X 158 4.025 -5.459 -6.278 1.00 0.00 H new ATOM 0 HG2 ARG X 158 4.025 -6.528 -4.098 1.00 0.00 H new ATOM 0 HG3 ARG X 158 2.290 -6.765 -4.172 1.00 0.00 H new ATOM 0 HD2 ARG X 158 3.415 -8.820 -4.883 1.00 0.00 H new ATOM 0 HD3 ARG X 158 2.556 -8.124 -6.242 1.00 0.00 H new ATOM 0 HE ARG X 158 5.281 -7.169 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG X 158 3.314 -9.973 -6.949 1.00 0.00 H new ATOM 0 HH12 ARG X 158 4.474 -10.608 -8.120 1.00 0.00 H new ATOM 0 HH21 ARG X 158 6.727 -7.984 -7.718 1.00 0.00 H new ATOM 0 HH22 ARG X 158 6.372 -9.503 -8.549 1.00 0.00 H new ATOM 789 N SER X 159 1.731 -2.875 -6.932 1.00 0.00 N ATOM 790 CA SER X 159 1.707 -1.942 -8.059 1.00 0.00 C ATOM 791 C SER X 159 2.398 -0.623 -7.714 1.00 0.00 C ATOM 792 O SER X 159 3.085 -0.039 -8.541 1.00 0.00 O ATOM 793 CB SER X 159 0.262 -1.642 -8.449 1.00 0.00 C ATOM 794 OG SER X 159 -0.426 -2.841 -8.757 1.00 0.00 O ATOM 0 H SER X 159 0.815 -3.245 -6.679 1.00 0.00 H new ATOM 0 HA SER X 159 2.240 -2.413 -8.885 1.00 0.00 H new ATOM 0 HB2 SER X 159 -0.242 -1.126 -7.632 1.00 0.00 H new ATOM 0 HB3 SER X 159 0.242 -0.973 -9.309 1.00 0.00 H new ATOM 0 HG SER X 159 -0.885 -3.169 -7.956 1.00 0.00 H new ATOM 800 N LEU X 160 2.194 -0.143 -6.492 1.00 0.00 N ATOM 801 CA LEU X 160 2.796 1.120 -6.053 1.00 0.00 C ATOM 802 C LEU X 160 4.298 1.015 -5.728 1.00 0.00 C ATOM 803 O LEU X 160 4.936 2.011 -5.383 1.00 0.00 O ATOM 804 CB LEU X 160 2.057 1.654 -4.807 1.00 0.00 C ATOM 805 CG LEU X 160 0.597 2.139 -4.904 1.00 0.00 C ATOM 806 CD1 LEU X 160 0.516 3.327 -5.840 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.403 1.082 -5.342 1.00 0.00 C ATOM 0 H LEU X 160 1.619 -0.604 -5.787 1.00 0.00 H new ATOM 0 HA LEU X 160 2.695 1.804 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU X 160 2.083 0.864 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU X 160 2.645 2.485 -4.417 1.00 0.00 H new ATOM 0 HG LEU X 160 0.313 2.411 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -0.517 3.668 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU X 160 1.141 4.135 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU X 160 0.866 3.035 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -1.401 1.519 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU X 160 -0.131 0.711 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU X 160 -0.395 0.257 -4.630 1.00 0.00 H new ATOM 819 N ILE X 161 4.870 -0.179 -5.824 1.00 0.00 N ATOM 820 CA ILE X 161 6.292 -0.363 -5.517 1.00 0.00 C ATOM 821 C ILE X 161 7.169 0.044 -6.696 1.00 0.00 C ATOM 822 O ILE X 161 7.354 -0.701 -7.647 1.00 0.00 O ATOM 823 CB ILE X 161 6.608 -1.827 -5.111 1.00 0.00 C ATOM 824 CG1 ILE X 161 5.738 -2.250 -3.911 1.00 0.00 C ATOM 825 CG2 ILE X 161 8.090 -1.980 -4.753 1.00 0.00 C ATOM 826 CD1 ILE X 161 5.997 -1.493 -2.627 1.00 0.00 C ATOM 0 H ILE X 161 4.382 -1.028 -6.108 1.00 0.00 H new ATOM 0 HA ILE X 161 6.516 0.285 -4.670 1.00 0.00 H new ATOM 0 HB ILE X 161 6.383 -2.471 -5.961 1.00 0.00 H new ATOM 0 HG12 ILE X 161 4.689 -2.126 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE X 161 5.896 -3.312 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE X 161 8.291 -3.013 -4.471 1.00 0.00 H new ATOM 0 HG22 ILE X 161 8.702 -1.713 -5.615 1.00 0.00 H new ATOM 0 HG23 ILE X 161 8.332 -1.322 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE X 161 5.335 -1.865 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE X 161 7.034 -1.636 -2.323 1.00 0.00 H new ATOM 0 HD13 ILE X 161 5.809 -0.431 -2.786 1.00 0.00 H new ATOM 838 N GLN X 162 7.726 1.239 -6.600 1.00 0.00 N ATOM 839 CA GLN X 162 8.600 1.787 -7.635 1.00 0.00 C ATOM 840 C GLN X 162 10.078 1.660 -7.238 1.00 0.00 C ATOM 841 O GLN X 162 10.933 2.357 -7.770 1.00 0.00 O ATOM 842 CB GLN X 162 8.225 3.253 -7.876 1.00 0.00 C ATOM 843 CG GLN X 162 6.819 3.417 -8.452 1.00 0.00 C ATOM 844 CD GLN X 162 6.423 4.865 -8.614 1.00 0.00 C ATOM 845 OE1 GLN X 162 7.086 5.633 -9.289 1.00 0.00 O ATOM 846 NE2 GLN X 162 5.345 5.247 -7.976 1.00 0.00 N ATOM 0 H GLN X 162 7.588 1.861 -5.803 1.00 0.00 H new ATOM 0 HA GLN X 162 8.464 1.219 -8.556 1.00 0.00 H new ATOM 0 HB2 GLN X 162 8.294 3.800 -6.936 1.00 0.00 H new ATOM 0 HB3 GLN X 162 8.947 3.701 -8.559 1.00 0.00 H new ATOM 0 HG2 GLN X 162 6.767 2.919 -9.420 1.00 0.00 H new ATOM 0 HG3 GLN X 162 6.102 2.919 -7.799 1.00 0.00 H new ATOM 0 HE21 GLN X 162 4.816 4.575 -7.421 1.00 0.00 H new ATOM 0 HE22 GLN X 162 5.034 6.217 -8.035 1.00 0.00 H new ATOM 855 N LEU X 163 10.369 0.789 -6.279 1.00 0.00 N ATOM 856 CA LEU X 163 11.747 0.605 -5.809 1.00 0.00 C ATOM 857 C LEU X 163 12.045 -0.792 -5.247 1.00 0.00 C ATOM 858 O LEU X 163 11.416 -1.229 -4.279 1.00 0.00 O ATOM 859 CB LEU X 163 12.044 1.649 -4.722 1.00 0.00 C ATOM 860 CG LEU X 163 13.446 1.619 -4.099 1.00 0.00 C ATOM 861 CD1 LEU X 163 14.518 1.877 -5.134 1.00 0.00 C ATOM 862 CD2 LEU X 163 13.521 2.679 -3.025 1.00 0.00 C ATOM 0 H LEU X 163 9.679 0.201 -5.811 1.00 0.00 H new ATOM 0 HA LEU X 163 12.387 0.727 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU X 163 11.883 2.639 -5.149 1.00 0.00 H new ATOM 0 HB3 LEU X 163 11.314 1.524 -3.922 1.00 0.00 H new ATOM 0 HG LEU X 163 13.618 0.629 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU X 163 15.498 1.848 -4.658 1.00 0.00 H new ATOM 0 HD12 LEU X 163 14.468 1.111 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU X 163 14.361 2.858 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU X 163 14.513 2.669 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU X 163 13.333 3.658 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU X 163 12.772 2.476 -2.260 1.00 0.00 H new ATOM 874 N ASP X 164 13.007 -1.462 -5.873 1.00 0.00 N ATOM 875 CA ASP X 164 13.483 -2.809 -5.491 1.00 0.00 C ATOM 876 C ASP X 164 14.185 -2.903 -4.142 1.00 0.00 C ATOM 877 O ASP X 164 14.224 -1.936 -3.381 1.00 0.00 O ATOM 878 CB ASP X 164 14.310 -3.440 -6.622 1.00 0.00 C ATOM 879 CG ASP X 164 13.456 -3.808 -7.822 1.00 0.00 C ATOM 880 OD1 ASP X 164 12.220 -3.872 -7.625 1.00 0.00 O ATOM 881 OD2 ASP X 164 14.048 -4.317 -8.792 1.00 0.00 O ATOM 0 H ASP X 164 13.497 -1.083 -6.683 1.00 0.00 H new ATOM 0 HA ASP X 164 12.576 -3.396 -5.345 1.00 0.00 H new ATOM 0 HB2 ASP X 164 15.088 -2.743 -6.933 1.00 0.00 H new ATOM 0 HB3 ASP X 164 14.812 -4.333 -6.248 1.00 0.00 H new ATOM 886 N CYS X 165 14.674 -4.097 -3.816 1.00 0.00 N ATOM 887 CA CYS X 165 15.340 -4.326 -2.556 1.00 0.00 C ATOM 888 C CYS X 165 16.475 -3.314 -2.315 1.00 0.00 C ATOM 889 O CYS X 165 17.434 -3.204 -3.076 1.00 0.00 O ATOM 890 CB CYS X 165 15.907 -5.755 -2.524 1.00 0.00 C ATOM 891 SG CYS X 165 14.746 -7.103 -2.674 1.00 0.00 S ATOM 0 H CYS X 165 14.616 -4.919 -4.417 1.00 0.00 H new ATOM 0 HA CYS X 165 14.604 -4.197 -1.762 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.635 -5.847 -3.330 1.00 0.00 H new ATOM 0 HB3 CYS X 165 16.450 -5.881 -1.587 1.00 0.00 H new ATOM 896 N ARG X 166 16.298 -2.597 -1.220 1.00 0.00 N ATOM 897 CA ARG X 166 17.236 -1.571 -0.734 1.00 0.00 C ATOM 898 C ARG X 166 18.640 -2.143 -0.517 1.00 0.00 C ATOM 899 O ARG X 166 19.539 -1.286 -0.453 1.00 0.00 O ATOM 900 CB ARG X 166 16.696 -0.963 0.571 1.00 0.00 C ATOM 901 CG ARG X 166 16.573 -1.990 1.688 1.00 0.00 C ATOM 902 CD ARG X 166 15.944 -1.453 2.942 1.00 0.00 C ATOM 903 NE ARG X 166 15.813 -2.546 3.904 1.00 0.00 N ATOM 904 CZ ARG X 166 15.179 -2.456 5.054 1.00 0.00 C ATOM 905 NH1 ARG X 166 14.622 -1.333 5.413 1.00 0.00 N ATOM 906 NH2 ARG X 166 15.107 -3.493 5.840 1.00 0.00 N ATOM 907 OXT ARG X 166 18.695 -3.297 -0.034 1.00 0.00 O ATOM 0 H ARG X 166 15.480 -2.706 -0.620 1.00 0.00 H new ATOM 0 HA ARG X 166 17.318 -0.794 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG X 166 17.357 -0.158 0.893 1.00 0.00 H new ATOM 0 HB3 ARG X 166 15.719 -0.517 0.383 1.00 0.00 H new ATOM 0 HG2 ARG X 166 15.983 -2.833 1.330 1.00 0.00 H new ATOM 0 HG3 ARG X 166 17.565 -2.374 1.926 1.00 0.00 H new ATOM 0 HD2 ARG X 166 16.556 -0.653 3.359 1.00 0.00 H new ATOM 0 HD3 ARG X 166 14.966 -1.024 2.721 1.00 0.00 H new ATOM 0 HE ARG X 166 16.243 -3.440 3.668 1.00 0.00 H new ATOM 0 HH11 ARG X 166 14.676 -0.518 4.801 1.00 0.00 H new ATOM 0 HH12 ARG X 166 14.132 -1.269 6.305 1.00 0.00 H new ATOM 0 HH21 ARG X 166 15.542 -4.373 5.564 1.00 0.00 H new ATOM 0 HH22 ARG X 166 14.616 -3.424 6.731 1.00 0.00 H new TER 921 ARG X 166 HETATM 922 ZN ZN X 1 -1.477 -3.711 0.587 1.00 0.00 ZN HETATM 923 ZN ZN X 2 13.109 -6.408 -1.531 1.00 0.00 ZN