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 X(o=0,f=0) USER MOD Single : X 148 ASN : amide:sc= 0.0544 K(o=0.054,f=-2.1) USER MOD Single : X 150 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00511) USER MOD Single : X 152 THR OG1 : rot -130:sc= 0 USER MOD Single : X 153 CYS SG : rot 180:sc= 0.0503 USER MOD Single : X 155 SER OG : rot -150:sc= 0 USER MOD Single : X 159 SER OG : rot 91:sc= 0.685 USER MOD Single : X 162 GLN : amide:sc= -1.04 K(o=-1,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO X 108 11.153 -28.129 -6.559 1.00 0.00 N ATOM 2 CA PRO X 108 12.181 -27.932 -5.505 1.00 0.00 C ATOM 3 C PRO X 108 11.979 -26.557 -4.886 1.00 0.00 C ATOM 4 O PRO X 108 10.921 -25.972 -5.069 1.00 0.00 O ATOM 5 CB PRO X 108 13.528 -28.029 -6.216 1.00 0.00 C ATOM 6 CG PRO X 108 13.193 -28.986 -7.361 1.00 0.00 C ATOM 7 CD PRO X 108 11.808 -28.497 -7.830 1.00 0.00 C ATOM 0 HA PRO X 108 12.121 -28.669 -4.704 1.00 0.00 H new ATOM 0 HB2 PRO X 108 13.873 -27.060 -6.577 1.00 0.00 H new ATOM 0 HB3 PRO X 108 14.309 -28.423 -5.566 1.00 0.00 H new ATOM 0 HG2 PRO X 108 13.932 -28.932 -8.161 1.00 0.00 H new ATOM 0 HG3 PRO X 108 13.162 -30.022 -7.025 1.00 0.00 H new ATOM 0 HD2 PRO X 108 11.886 -27.647 -8.508 1.00 0.00 H new ATOM 0 HD3 PRO X 108 11.260 -29.277 -8.358 1.00 0.00 H new ATOM 15 N ARG X 109 12.982 -26.039 -4.178 1.00 0.00 N ATOM 16 CA ARG X 109 12.880 -24.710 -3.553 1.00 0.00 C ATOM 17 C ARG X 109 12.510 -23.624 -4.556 1.00 0.00 C ATOM 18 O ARG X 109 13.016 -23.607 -5.679 1.00 0.00 O ATOM 19 CB ARG X 109 14.195 -24.306 -2.846 1.00 0.00 C ATOM 20 CG ARG X 109 15.421 -24.152 -3.776 1.00 0.00 C ATOM 21 CD ARG X 109 16.673 -23.698 -3.020 1.00 0.00 C ATOM 22 NE ARG X 109 16.570 -22.315 -2.539 1.00 0.00 N ATOM 23 CZ ARG X 109 17.519 -21.705 -1.847 1.00 0.00 C ATOM 24 NH1 ARG X 109 18.620 -22.340 -1.547 1.00 0.00 N ATOM 25 NH2 ARG X 109 17.376 -20.471 -1.455 1.00 0.00 N ATOM 0 H ARG X 109 13.872 -26.512 -4.020 1.00 0.00 H new ATOM 0 HA ARG X 109 12.082 -24.794 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG X 109 14.034 -23.363 -2.325 1.00 0.00 H new ATOM 0 HB3 ARG X 109 14.426 -25.054 -2.088 1.00 0.00 H new ATOM 0 HG2 ARG X 109 15.622 -25.103 -4.268 1.00 0.00 H new ATOM 0 HG3 ARG X 109 15.191 -23.430 -4.560 1.00 0.00 H new ATOM 0 HD2 ARG X 109 16.842 -24.362 -2.172 1.00 0.00 H new ATOM 0 HD3 ARG X 109 17.541 -23.788 -3.674 1.00 0.00 H new ATOM 0 HE ARG X 109 15.719 -21.794 -2.750 1.00 0.00 H new ATOM 0 HH11 ARG X 109 18.749 -23.307 -1.846 1.00 0.00 H new ATOM 0 HH12 ARG X 109 19.351 -21.869 -1.014 1.00 0.00 H new ATOM 0 HH21 ARG X 109 16.523 -19.960 -1.681 1.00 0.00 H new ATOM 0 HH22 ARG X 109 18.117 -20.016 -0.922 1.00 0.00 H new ATOM 39 N VAL X 110 11.618 -22.731 -4.162 1.00 0.00 N ATOM 40 CA VAL X 110 11.224 -21.630 -5.036 1.00 0.00 C ATOM 41 C VAL X 110 12.409 -20.654 -5.008 1.00 0.00 C ATOM 42 O VAL X 110 12.635 -19.940 -4.039 1.00 0.00 O ATOM 43 CB VAL X 110 9.837 -21.001 -4.644 1.00 0.00 C ATOM 44 CG1 VAL X 110 9.810 -20.453 -3.211 1.00 0.00 C ATOM 45 CG2 VAL X 110 9.479 -19.891 -5.615 1.00 0.00 C ATOM 0 H VAL X 110 11.155 -22.742 -3.253 1.00 0.00 H new ATOM 0 HA VAL X 110 11.036 -21.962 -6.057 1.00 0.00 H new ATOM 0 HB VAL X 110 9.103 -21.805 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL X 110 8.827 -20.032 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL X 110 10.017 -21.260 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL X 110 10.567 -19.676 -3.104 1.00 0.00 H new ATOM 0 HG21 VAL X 110 8.517 -19.460 -5.337 1.00 0.00 H new ATOM 0 HG22 VAL X 110 10.246 -19.117 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL X 110 9.416 -20.297 -6.625 1.00 0.00 H new ATOM 55 N LEU X 111 13.210 -20.694 -6.064 1.00 0.00 N ATOM 56 CA LEU X 111 14.413 -19.861 -6.188 1.00 0.00 C ATOM 57 C LEU X 111 14.044 -18.399 -6.517 1.00 0.00 C ATOM 58 O LEU X 111 14.444 -17.854 -7.543 1.00 0.00 O ATOM 59 CB LEU X 111 15.366 -20.475 -7.234 1.00 0.00 C ATOM 60 CG LEU X 111 16.743 -19.819 -7.472 1.00 0.00 C ATOM 61 CD1 LEU X 111 17.577 -19.864 -6.211 1.00 0.00 C ATOM 62 CD2 LEU X 111 17.456 -20.564 -8.571 1.00 0.00 C ATOM 0 H LEU X 111 13.049 -21.305 -6.865 1.00 0.00 H new ATOM 0 HA LEU X 111 14.935 -19.840 -5.231 1.00 0.00 H new ATOM 0 HB2 LEU X 111 15.541 -21.513 -6.950 1.00 0.00 H new ATOM 0 HB3 LEU X 111 14.840 -20.490 -8.189 1.00 0.00 H new ATOM 0 HG LEU X 111 16.597 -18.777 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU X 111 18.544 -19.397 -6.398 1.00 0.00 H new ATOM 0 HD12 LEU X 111 17.062 -19.326 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU X 111 17.727 -20.901 -5.911 1.00 0.00 H new ATOM 0 HD21 LEU X 111 18.430 -20.108 -8.747 1.00 0.00 H new ATOM 0 HD22 LEU X 111 17.590 -21.605 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU X 111 16.864 -20.518 -9.485 1.00 0.00 H new ATOM 74 N ALA X 112 13.232 -17.792 -5.665 1.00 0.00 N ATOM 75 CA ALA X 112 12.802 -16.405 -5.831 1.00 0.00 C ATOM 76 C ALA X 112 14.018 -15.475 -5.799 1.00 0.00 C ATOM 77 O ALA X 112 13.991 -14.381 -6.342 1.00 0.00 O ATOM 78 CB ALA X 112 11.822 -16.035 -4.726 1.00 0.00 C ATOM 0 H ALA X 112 12.850 -18.246 -4.835 1.00 0.00 H new ATOM 0 HA ALA X 112 12.304 -16.295 -6.794 1.00 0.00 H new ATOM 0 HB1 ALA X 112 11.504 -15.000 -4.853 1.00 0.00 H new ATOM 0 HB2 ALA X 112 10.953 -16.691 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA X 112 12.307 -16.149 -3.756 1.00 0.00 H new ATOM 84 N GLU X 113 15.085 -15.953 -5.168 1.00 0.00 N ATOM 85 CA GLU X 113 16.352 -15.224 -5.038 1.00 0.00 C ATOM 86 C GLU X 113 16.984 -14.848 -6.383 1.00 0.00 C ATOM 87 O GLU X 113 17.921 -14.072 -6.432 1.00 0.00 O ATOM 88 CB GLU X 113 17.372 -16.088 -4.275 1.00 0.00 C ATOM 89 CG GLU X 113 17.033 -16.363 -2.801 1.00 0.00 C ATOM 90 CD GLU X 113 16.120 -17.582 -2.579 1.00 0.00 C ATOM 91 OE1 GLU X 113 15.607 -18.155 -3.566 1.00 0.00 O ATOM 92 OE2 GLU X 113 15.990 -17.981 -1.397 1.00 0.00 O ATOM 0 H GLU X 113 15.099 -16.871 -4.724 1.00 0.00 H new ATOM 0 HA GLU X 113 16.112 -14.304 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU X 113 17.472 -17.043 -4.791 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.344 -15.598 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU X 113 17.961 -16.513 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU X 113 16.551 -15.481 -2.380 1.00 0.00 H new ATOM 99 N ARG X 114 16.486 -15.431 -7.468 1.00 0.00 N ATOM 100 CA ARG X 114 17.019 -15.160 -8.810 1.00 0.00 C ATOM 101 C ARG X 114 16.898 -13.692 -9.212 1.00 0.00 C ATOM 102 O ARG X 114 17.639 -13.219 -10.059 1.00 0.00 O ATOM 103 CB ARG X 114 16.284 -16.003 -9.860 1.00 0.00 C ATOM 104 CG ARG X 114 14.790 -15.653 -10.017 1.00 0.00 C ATOM 105 CD ARG X 114 14.115 -16.558 -11.020 1.00 0.00 C ATOM 106 NE ARG X 114 14.063 -17.935 -10.542 1.00 0.00 N ATOM 107 CZ ARG X 114 13.603 -18.941 -11.260 1.00 0.00 C ATOM 108 NH1 ARG X 114 13.170 -18.735 -12.472 1.00 0.00 N ATOM 109 NH2 ARG X 114 13.577 -20.146 -10.761 1.00 0.00 N ATOM 0 H ARG X 114 15.713 -16.096 -7.450 1.00 0.00 H new ATOM 0 HA ARG X 114 18.077 -15.421 -8.771 1.00 0.00 H new ATOM 0 HB2 ARG X 114 16.779 -15.876 -10.823 1.00 0.00 H new ATOM 0 HB3 ARG X 114 16.373 -17.056 -9.592 1.00 0.00 H new ATOM 0 HG2 ARG X 114 14.291 -15.740 -9.052 1.00 0.00 H new ATOM 0 HG3 ARG X 114 14.689 -14.615 -10.335 1.00 0.00 H new ATOM 0 HD2 ARG X 114 13.104 -16.200 -11.213 1.00 0.00 H new ATOM 0 HD3 ARG X 114 14.653 -16.520 -11.967 1.00 0.00 H new ATOM 0 HE ARG X 114 14.401 -18.131 -9.600 1.00 0.00 H new ATOM 0 HH11 ARG X 114 13.187 -17.795 -12.867 1.00 0.00 H new ATOM 0 HH12 ARG X 114 12.815 -19.514 -13.026 1.00 0.00 H new ATOM 0 HH21 ARG X 114 13.913 -20.313 -9.812 1.00 0.00 H new ATOM 0 HH22 ARG X 114 13.220 -20.922 -11.319 1.00 0.00 H new ATOM 123 N GLY X 115 15.925 -12.997 -8.641 1.00 0.00 N ATOM 124 CA GLY X 115 15.714 -11.602 -8.978 1.00 0.00 C ATOM 125 C GLY X 115 16.528 -10.637 -8.150 1.00 0.00 C ATOM 126 O GLY X 115 16.574 -10.748 -6.935 1.00 0.00 O ATOM 0 H GLY X 115 15.277 -13.374 -7.950 1.00 0.00 H new ATOM 0 HA2 GLY X 115 15.955 -11.453 -10.031 1.00 0.00 H new ATOM 0 HA3 GLY X 115 14.657 -11.366 -8.856 1.00 0.00 H new ATOM 130 N GLU X 116 17.163 -9.683 -8.818 1.00 0.00 N ATOM 131 CA GLU X 116 17.957 -8.656 -8.142 1.00 0.00 C ATOM 132 C GLU X 116 17.027 -7.721 -7.358 1.00 0.00 C ATOM 133 O GLU X 116 17.434 -7.047 -6.419 1.00 0.00 O ATOM 134 CB GLU X 116 18.798 -7.894 -9.179 1.00 0.00 C ATOM 135 CG GLU X 116 17.972 -7.171 -10.252 1.00 0.00 C ATOM 136 CD GLU X 116 18.843 -6.472 -11.293 1.00 0.00 C ATOM 137 OE1 GLU X 116 20.084 -6.550 -11.158 1.00 0.00 O ATOM 138 OE2 GLU X 116 18.258 -6.032 -12.306 1.00 0.00 O ATOM 0 H GLU X 116 17.145 -9.596 -9.834 1.00 0.00 H new ATOM 0 HA GLU X 116 18.642 -9.115 -7.430 1.00 0.00 H new ATOM 0 HB2 GLU X 116 19.418 -7.163 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU X 116 19.474 -8.596 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU X 116 17.323 -7.890 -10.751 1.00 0.00 H new ATOM 0 HG3 GLU X 116 17.325 -6.436 -9.773 1.00 0.00 H new ATOM 145 N GLY X 117 15.761 -7.720 -7.760 1.00 0.00 N ATOM 146 CA GLY X 117 14.748 -6.901 -7.116 1.00 0.00 C ATOM 147 C GLY X 117 14.010 -7.655 -6.026 1.00 0.00 C ATOM 148 O GLY X 117 14.400 -8.756 -5.644 1.00 0.00 O ATOM 0 H GLY X 117 15.413 -8.283 -8.536 1.00 0.00 H new ATOM 0 HA2 GLY X 117 15.217 -6.015 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY X 117 14.034 -6.555 -7.863 1.00 0.00 H new ATOM 152 N HIS X 118 12.930 -7.081 -5.515 1.00 0.00 N ATOM 153 CA HIS X 118 12.169 -7.744 -4.447 1.00 0.00 C ATOM 154 C HIS X 118 11.702 -9.158 -4.721 1.00 0.00 C ATOM 155 O HIS X 118 10.944 -9.424 -5.653 1.00 0.00 O ATOM 156 CB HIS X 118 10.921 -6.985 -4.088 1.00 0.00 C ATOM 157 CG HIS X 118 11.162 -5.620 -3.555 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.943 -5.354 -2.433 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.654 -4.436 -3.981 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.893 -4.014 -2.267 1.00 0.00 C ATOM 161 NE2 HIS X 118 11.128 -3.461 -3.183 1.00 0.00 N ATOM 0 H HIS X 118 12.561 -6.177 -5.810 1.00 0.00 H new ATOM 0 HA HIS X 118 12.910 -7.770 -3.648 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.290 -6.909 -4.973 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.363 -7.558 -3.347 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.984 -4.299 -4.817 1.00 0.00 H new ATOM 0 HE1 HIS X 118 12.410 -3.472 -1.489 1.00 0.00 H new ATOM 0 HE2 HIS X 118 10.928 -2.465 -3.273 1.00 0.00 H new ATOM 169 N ARG X 119 12.128 -10.067 -3.860 1.00 0.00 N ATOM 170 CA ARG X 119 11.734 -11.466 -3.965 1.00 0.00 C ATOM 171 C ARG X 119 10.230 -11.689 -3.765 1.00 0.00 C ATOM 172 O ARG X 119 9.652 -12.521 -4.449 1.00 0.00 O ATOM 173 CB ARG X 119 12.593 -12.327 -3.039 1.00 0.00 C ATOM 174 CG ARG X 119 12.457 -12.023 -1.547 1.00 0.00 C ATOM 175 CD ARG X 119 13.461 -12.851 -0.783 1.00 0.00 C ATOM 176 NE ARG X 119 13.201 -14.279 -0.908 1.00 0.00 N ATOM 177 CZ ARG X 119 14.048 -15.212 -0.524 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.194 -14.884 0.003 1.00 0.00 N ATOM 179 NH2 ARG X 119 13.743 -16.467 -0.683 1.00 0.00 N ATOM 0 H ARG X 119 12.749 -9.862 -3.077 1.00 0.00 H new ATOM 0 HA ARG X 119 11.922 -11.785 -4.990 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.338 -13.374 -3.204 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.638 -12.205 -3.323 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.626 -10.962 -1.362 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.446 -12.249 -1.207 1.00 0.00 H new ATOM 0 HD2 ARG X 119 14.464 -12.632 -1.149 1.00 0.00 H new ATOM 0 HD3 ARG X 119 13.437 -12.569 0.270 1.00 0.00 H new ATOM 0 HE ARG X 119 12.313 -14.573 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG X 119 15.439 -13.901 0.120 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.846 -15.611 0.299 1.00 0.00 H new ATOM 0 HH21 ARG X 119 12.851 -16.726 -1.104 1.00 0.00 H new ATOM 0 HH22 ARG X 119 14.396 -17.192 -0.387 1.00 0.00 H new ATOM 193 N PHE X 120 9.608 -10.972 -2.823 1.00 0.00 N ATOM 194 CA PHE X 120 8.165 -11.101 -2.561 1.00 0.00 C ATOM 195 C PHE X 120 7.738 -12.547 -2.288 1.00 0.00 C ATOM 196 O PHE X 120 6.939 -13.110 -3.015 1.00 0.00 O ATOM 197 CB PHE X 120 7.299 -10.504 -3.674 1.00 0.00 C ATOM 198 CG PHE X 120 7.348 -9.007 -3.774 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.782 -8.221 -2.780 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.883 -8.384 -4.882 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.775 -6.842 -2.887 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.856 -7.004 -4.997 1.00 0.00 C ATOM 203 CZ PHE X 120 7.313 -6.237 -4.000 1.00 0.00 C ATOM 0 H PHE X 120 10.081 -10.293 -2.226 1.00 0.00 H new ATOM 0 HA PHE X 120 7.995 -10.519 -1.655 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.614 -10.928 -4.627 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.265 -10.810 -3.515 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.342 -8.691 -1.913 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.327 -8.978 -5.667 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.348 -6.241 -2.098 1.00 0.00 H new ATOM 0 HE2 PHE X 120 8.265 -6.530 -5.877 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.307 -5.161 -4.087 1.00 0.00 H new ATOM 213 N VAL X 121 8.293 -13.171 -1.268 1.00 0.00 N ATOM 214 CA VAL X 121 7.904 -14.569 -0.974 1.00 0.00 C ATOM 215 C VAL X 121 6.501 -14.694 -0.354 1.00 0.00 C ATOM 216 O VAL X 121 6.250 -14.248 0.758 1.00 0.00 O ATOM 217 CB VAL X 121 8.956 -15.354 -0.147 1.00 0.00 C ATOM 218 CG1 VAL X 121 10.127 -15.711 -1.035 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.479 -14.553 1.033 1.00 0.00 C ATOM 0 H VAL X 121 8.989 -12.767 -0.641 1.00 0.00 H new ATOM 0 HA VAL X 121 7.865 -15.044 -1.954 1.00 0.00 H new ATOM 0 HB VAL X 121 8.463 -16.247 0.238 1.00 0.00 H new ATOM 0 HG11 VAL X 121 10.868 -16.263 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL X 121 9.780 -16.329 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.578 -14.799 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.212 -15.146 1.579 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.949 -13.638 0.672 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.652 -14.299 1.696 1.00 0.00 H new ATOM 229 N GLU X 122 5.583 -15.270 -1.120 1.00 0.00 N ATOM 230 CA GLU X 122 4.184 -15.464 -0.699 1.00 0.00 C ATOM 231 C GLU X 122 3.971 -16.285 0.576 1.00 0.00 C ATOM 232 O GLU X 122 4.562 -17.349 0.762 1.00 0.00 O ATOM 233 CB GLU X 122 3.369 -16.056 -1.858 1.00 0.00 C ATOM 234 CG GLU X 122 3.844 -17.416 -2.360 1.00 0.00 C ATOM 235 CD GLU X 122 3.010 -17.918 -3.531 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.088 -17.181 -3.946 1.00 0.00 O ATOM 237 OE2 GLU X 122 3.358 -18.999 -4.052 1.00 0.00 O ATOM 0 H GLU X 122 5.780 -15.621 -2.057 1.00 0.00 H new ATOM 0 HA GLU X 122 3.831 -14.467 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU X 122 2.330 -16.147 -1.541 1.00 0.00 H new ATOM 0 HB3 GLU X 122 3.388 -15.353 -2.691 1.00 0.00 H new ATOM 0 HG2 GLU X 122 4.888 -17.345 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU X 122 3.797 -18.139 -1.546 1.00 0.00 H new ATOM 244 N LEU X 123 3.119 -15.779 1.459 1.00 0.00 N ATOM 245 CA LEU X 123 2.811 -16.477 2.704 1.00 0.00 C ATOM 246 C LEU X 123 1.462 -17.202 2.623 1.00 0.00 C ATOM 247 O LEU X 123 0.443 -16.636 2.236 1.00 0.00 O ATOM 248 CB LEU X 123 2.941 -15.541 3.929 1.00 0.00 C ATOM 249 CG LEU X 123 2.123 -14.249 4.144 1.00 0.00 C ATOM 250 CD1 LEU X 123 0.624 -14.416 4.257 1.00 0.00 C ATOM 251 CD2 LEU X 123 2.626 -13.629 5.435 1.00 0.00 C ATOM 0 H LEU X 123 2.630 -14.892 1.338 1.00 0.00 H new ATOM 0 HA LEU X 123 3.558 -17.257 2.849 1.00 0.00 H new ATOM 0 HB2 LEU X 123 2.753 -16.164 4.804 1.00 0.00 H new ATOM 0 HB3 LEU X 123 3.989 -15.243 3.969 1.00 0.00 H new ATOM 0 HG LEU X 123 2.270 -13.638 3.253 1.00 0.00 H new ATOM 0 HD11 LEU X 123 0.160 -13.441 4.406 1.00 0.00 H new ATOM 0 HD12 LEU X 123 0.238 -14.866 3.342 1.00 0.00 H new ATOM 0 HD13 LEU X 123 0.393 -15.061 5.104 1.00 0.00 H new ATOM 0 HD21 LEU X 123 2.078 -12.708 5.634 1.00 0.00 H new ATOM 0 HD22 LEU X 123 2.473 -14.327 6.258 1.00 0.00 H new ATOM 0 HD23 LEU X 123 3.689 -13.405 5.341 1.00 0.00 H new ATOM 263 N ALA X 124 1.472 -18.487 2.937 1.00 0.00 N ATOM 264 CA ALA X 124 0.250 -19.282 2.916 1.00 0.00 C ATOM 265 C ALA X 124 -0.749 -18.736 3.947 1.00 0.00 C ATOM 266 O ALA X 124 -0.413 -18.600 5.125 1.00 0.00 O ATOM 267 CB ALA X 124 0.573 -20.739 3.211 1.00 0.00 C ATOM 0 H ALA X 124 2.309 -19.003 3.209 1.00 0.00 H new ATOM 0 HA ALA X 124 -0.200 -19.218 1.926 1.00 0.00 H new ATOM 0 HB1 ALA X 124 -0.345 -21.326 3.193 1.00 0.00 H new ATOM 0 HB2 ALA X 124 1.261 -21.119 2.456 1.00 0.00 H new ATOM 0 HB3 ALA X 124 1.035 -20.817 4.195 1.00 0.00 H new ATOM 273 N LEU X 125 -1.968 -18.433 3.523 1.00 0.00 N ATOM 274 CA LEU X 125 -2.986 -17.935 4.448 1.00 0.00 C ATOM 275 C LEU X 125 -3.356 -19.063 5.414 1.00 0.00 C ATOM 276 O LEU X 125 -3.842 -20.109 4.999 1.00 0.00 O ATOM 277 CB LEU X 125 -4.215 -17.421 3.692 1.00 0.00 C ATOM 278 CG LEU X 125 -3.983 -16.152 2.858 1.00 0.00 C ATOM 279 CD1 LEU X 125 -5.283 -15.729 2.255 1.00 0.00 C ATOM 280 CD2 LEU X 125 -3.441 -15.008 3.697 1.00 0.00 C ATOM 0 H LEU X 125 -2.278 -18.521 2.555 1.00 0.00 H new ATOM 0 HA LEU X 125 -2.590 -17.090 5.011 1.00 0.00 H new ATOM 0 HB2 LEU X 125 -4.573 -18.211 3.031 1.00 0.00 H new ATOM 0 HB3 LEU X 125 -5.009 -17.224 4.412 1.00 0.00 H new ATOM 0 HG LEU X 125 -3.246 -16.385 2.090 1.00 0.00 H new ATOM 0 HD11 LEU X 125 -5.132 -14.828 1.660 1.00 0.00 H new ATOM 0 HD12 LEU X 125 -5.664 -16.526 1.617 1.00 0.00 H new ATOM 0 HD13 LEU X 125 -6.002 -15.524 3.048 1.00 0.00 H new ATOM 0 HD21 LEU X 125 -3.293 -14.132 3.065 1.00 0.00 H new ATOM 0 HD22 LEU X 125 -4.151 -14.769 4.488 1.00 0.00 H new ATOM 0 HD23 LEU X 125 -2.489 -15.301 4.140 1.00 0.00 H new ATOM 292 N ARG X 126 -3.094 -18.844 6.699 1.00 0.00 N ATOM 293 CA ARG X 126 -3.352 -19.822 7.780 1.00 0.00 C ATOM 294 C ARG X 126 -4.810 -20.242 8.074 1.00 0.00 C ATOM 295 O ARG X 126 -5.168 -20.451 9.230 1.00 0.00 O ATOM 296 CB ARG X 126 -2.741 -19.276 9.078 1.00 0.00 C ATOM 297 CG ARG X 126 -3.352 -17.937 9.546 1.00 0.00 C ATOM 298 CD ARG X 126 -2.788 -17.525 10.891 1.00 0.00 C ATOM 299 NE ARG X 126 -3.235 -18.453 11.932 1.00 0.00 N ATOM 300 CZ ARG X 126 -2.889 -18.367 13.204 1.00 0.00 C ATOM 301 NH1 ARG X 126 -2.091 -17.416 13.605 1.00 0.00 N ATOM 302 NH2 ARG X 126 -3.345 -19.233 14.066 1.00 0.00 N ATOM 0 H ARG X 126 -2.689 -17.971 7.036 1.00 0.00 H new ATOM 0 HA ARG X 126 -2.896 -20.738 7.404 1.00 0.00 H new ATOM 0 HB2 ARG X 126 -2.868 -20.017 9.867 1.00 0.00 H new ATOM 0 HB3 ARG X 126 -1.669 -19.144 8.935 1.00 0.00 H new ATOM 0 HG2 ARG X 126 -3.146 -17.161 8.808 1.00 0.00 H new ATOM 0 HG3 ARG X 126 -4.436 -18.032 9.615 1.00 0.00 H new ATOM 0 HD2 ARG X 126 -1.699 -17.512 10.848 1.00 0.00 H new ATOM 0 HD3 ARG X 126 -3.110 -16.512 11.134 1.00 0.00 H new ATOM 0 HE ARG X 126 -3.854 -19.216 11.657 1.00 0.00 H new ATOM 0 HH11 ARG X 126 -1.732 -16.735 12.935 1.00 0.00 H new ATOM 0 HH12 ARG X 126 -1.826 -17.353 14.588 1.00 0.00 H new ATOM 0 HH21 ARG X 126 -3.970 -19.978 13.758 1.00 0.00 H new ATOM 0 HH22 ARG X 126 -3.077 -19.165 15.048 1.00 0.00 H new ATOM 316 N GLY X 127 -5.645 -20.364 7.057 1.00 0.00 N ATOM 317 CA GLY X 127 -7.032 -20.763 7.270 1.00 0.00 C ATOM 318 C GLY X 127 -7.864 -19.602 7.779 1.00 0.00 C ATOM 319 O GLY X 127 -9.025 -19.745 8.136 1.00 0.00 O ATOM 0 H GLY X 127 -5.394 -20.195 6.083 1.00 0.00 H new ATOM 0 HA2 GLY X 127 -7.454 -21.134 6.336 1.00 0.00 H new ATOM 0 HA3 GLY X 127 -7.071 -21.584 7.986 1.00 0.00 H new ATOM 323 N GLY X 128 -7.240 -18.437 7.809 1.00 0.00 N ATOM 324 CA GLY X 128 -7.888 -17.221 8.256 1.00 0.00 C ATOM 325 C GLY X 128 -7.191 -16.100 7.525 1.00 0.00 C ATOM 326 O GLY X 128 -6.317 -16.394 6.702 1.00 0.00 O ATOM 0 H GLY X 128 -6.269 -18.310 7.523 1.00 0.00 H new ATOM 0 HA2 GLY X 128 -8.953 -17.237 8.026 1.00 0.00 H new ATOM 0 HA3 GLY X 128 -7.797 -17.102 9.336 1.00 0.00 H new ATOM 330 N PRO X 129 -7.522 -14.830 7.795 1.00 0.00 N ATOM 331 CA PRO X 129 -6.869 -13.723 7.091 1.00 0.00 C ATOM 332 C PRO X 129 -5.368 -13.587 7.304 1.00 0.00 C ATOM 333 O PRO X 129 -4.718 -14.353 8.022 1.00 0.00 O ATOM 334 CB PRO X 129 -7.519 -12.494 7.743 1.00 0.00 C ATOM 335 CG PRO X 129 -8.837 -12.948 8.143 1.00 0.00 C ATOM 336 CD PRO X 129 -8.558 -14.320 8.710 1.00 0.00 C ATOM 0 HA PRO X 129 -6.990 -13.861 6.017 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.942 -12.148 8.600 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -7.582 -11.660 7.043 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -9.285 -12.287 8.885 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -9.524 -12.991 7.298 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -8.203 -14.271 9.740 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -9.448 -14.950 8.709 1.00 0.00 H new ATOM 344 N GLY X 130 -4.841 -12.544 6.695 1.00 0.00 N ATOM 345 CA GLY X 130 -3.443 -12.197 6.795 1.00 0.00 C ATOM 346 C GLY X 130 -3.577 -10.710 6.619 1.00 0.00 C ATOM 347 O GLY X 130 -4.675 -10.277 6.295 1.00 0.00 O ATOM 0 H GLY X 130 -5.381 -11.907 6.110 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -3.005 -12.473 7.754 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.834 -12.663 6.020 1.00 0.00 H new ATOM 351 N TRP X 131 -2.534 -9.929 6.821 1.00 0.00 N ATOM 352 CA TRP X 131 -2.640 -8.477 6.686 1.00 0.00 C ATOM 353 C TRP X 131 -1.530 -7.869 5.825 1.00 0.00 C ATOM 354 O TRP X 131 -0.371 -8.224 6.000 1.00 0.00 O ATOM 355 CB TRP X 131 -2.619 -7.909 8.109 1.00 0.00 C ATOM 356 CG TRP X 131 -3.869 -8.348 8.861 1.00 0.00 C ATOM 357 CD1 TRP X 131 -4.071 -9.521 9.536 1.00 0.00 C ATOM 358 CD2 TRP X 131 -5.093 -7.606 9.010 1.00 0.00 C ATOM 359 NE1 TRP X 131 -5.337 -9.567 10.055 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.987 -8.405 9.755 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.519 -6.350 8.589 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -7.276 -7.986 10.068 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.796 -5.923 8.909 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.666 -6.744 9.639 1.00 0.00 C ATOM 0 H TRP X 131 -1.606 -10.266 7.078 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.562 -8.221 6.165 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.728 -8.254 8.634 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.568 -6.821 8.075 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -3.334 -10.303 9.644 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -5.732 -10.346 10.582 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.859 -5.714 8.018 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.947 -8.618 10.630 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -7.126 -4.945 8.592 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.661 -6.392 9.868 1.00 0.00 H new ATOM 375 N CYS X 132 -1.886 -6.970 4.908 1.00 0.00 N ATOM 376 CA CYS X 132 -0.905 -6.286 4.061 1.00 0.00 C ATOM 377 C CYS X 132 -0.360 -5.306 5.076 1.00 0.00 C ATOM 378 O CYS X 132 -1.032 -4.319 5.354 1.00 0.00 O ATOM 379 CB CYS X 132 -1.619 -5.579 2.905 1.00 0.00 C ATOM 380 SG CYS X 132 -0.591 -4.602 1.801 1.00 0.00 S ATOM 0 H CYS X 132 -2.852 -6.696 4.731 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.152 -6.911 3.581 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.135 -6.333 2.311 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.384 -4.926 3.325 1.00 0.00 H new ATOM 385 N ASP X 133 0.809 -5.562 5.651 1.00 0.00 N ATOM 386 CA ASP X 133 1.308 -4.660 6.707 1.00 0.00 C ATOM 387 C ASP X 133 1.441 -3.246 6.157 1.00 0.00 C ATOM 388 O ASP X 133 1.264 -2.258 6.864 1.00 0.00 O ATOM 389 CB ASP X 133 2.557 -5.210 7.409 1.00 0.00 C ATOM 390 CG ASP X 133 3.761 -5.224 6.536 1.00 0.00 C ATOM 391 OD1 ASP X 133 4.311 -4.122 6.402 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.305 -6.340 6.309 1.00 0.00 O ATOM 0 H ASP X 133 1.415 -6.350 5.424 1.00 0.00 H new ATOM 0 HA ASP X 133 0.576 -4.606 7.513 1.00 0.00 H new ATOM 0 HB2 ASP X 133 2.764 -4.607 8.293 1.00 0.00 H new ATOM 0 HB3 ASP X 133 2.355 -6.224 7.755 1.00 0.00 H new ATOM 397 N LEU X 134 1.693 -3.189 4.862 1.00 0.00 N ATOM 398 CA LEU X 134 1.782 -1.948 4.117 1.00 0.00 C ATOM 399 C LEU X 134 0.453 -1.163 4.193 1.00 0.00 C ATOM 400 O LEU X 134 0.434 0.021 4.514 1.00 0.00 O ATOM 401 CB LEU X 134 2.111 -2.305 2.665 1.00 0.00 C ATOM 402 CG LEU X 134 1.764 -1.277 1.592 1.00 0.00 C ATOM 403 CD1 LEU X 134 2.540 0.007 1.757 1.00 0.00 C ATOM 404 CD2 LEU X 134 2.043 -1.878 0.243 1.00 0.00 C ATOM 0 H LEU X 134 1.844 -4.019 4.289 1.00 0.00 H new ATOM 0 HA LEU X 134 2.558 -1.310 4.540 1.00 0.00 H new ATOM 0 HB2 LEU X 134 3.180 -2.509 2.602 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.594 -3.233 2.421 1.00 0.00 H new ATOM 0 HG LEU X 134 0.708 -1.023 1.689 1.00 0.00 H new ATOM 0 HD11 LEU X 134 2.258 0.706 0.970 1.00 0.00 H new ATOM 0 HD12 LEU X 134 2.316 0.445 2.729 1.00 0.00 H new ATOM 0 HD13 LEU X 134 3.608 -0.202 1.691 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.800 -1.154 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU X 134 3.098 -2.144 0.174 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.434 -2.772 0.110 1.00 0.00 H new ATOM 416 N CYS X 135 -0.648 -1.832 3.863 1.00 0.00 N ATOM 417 CA CYS X 135 -1.973 -1.204 3.874 1.00 0.00 C ATOM 418 C CYS X 135 -2.673 -1.115 5.228 1.00 0.00 C ATOM 419 O CYS X 135 -3.499 -0.235 5.466 1.00 0.00 O ATOM 420 CB CYS X 135 -2.916 -2.010 2.970 1.00 0.00 C ATOM 421 SG CYS X 135 -2.649 -1.802 1.240 1.00 0.00 S ATOM 0 H CYS X 135 -0.652 -2.813 3.583 1.00 0.00 H new ATOM 0 HA CYS X 135 -1.780 -0.184 3.543 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -2.813 -3.067 3.214 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -3.944 -1.729 3.200 1.00 0.00 H new ATOM 426 N GLY X 136 -2.398 -2.089 6.074 1.00 0.00 N ATOM 427 CA GLY X 136 -3.045 -2.179 7.369 1.00 0.00 C ATOM 428 C GLY X 136 -4.362 -2.918 7.170 1.00 0.00 C ATOM 429 O GLY X 136 -5.091 -3.193 8.112 1.00 0.00 O ATOM 0 H GLY X 136 -1.727 -2.834 5.886 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.411 -2.710 8.079 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.221 -1.185 7.780 1.00 0.00 H new ATOM 433 N ARG X 137 -4.666 -3.221 5.909 1.00 0.00 N ATOM 434 CA ARG X 137 -5.890 -3.919 5.515 1.00 0.00 C ATOM 435 C ARG X 137 -5.654 -5.406 5.267 1.00 0.00 C ATOM 436 O ARG X 137 -4.597 -5.800 4.778 1.00 0.00 O ATOM 437 CB ARG X 137 -6.399 -3.281 4.237 1.00 0.00 C ATOM 438 CG ARG X 137 -6.774 -1.822 4.436 1.00 0.00 C ATOM 439 CD ARG X 137 -7.178 -1.167 3.147 1.00 0.00 C ATOM 440 NE ARG X 137 -6.070 -0.994 2.203 1.00 0.00 N ATOM 441 CZ ARG X 137 -6.194 -0.432 1.014 1.00 0.00 C ATOM 442 NH1 ARG X 137 -7.357 0.001 0.609 1.00 0.00 N ATOM 443 NH2 ARG X 137 -5.157 -0.306 0.237 1.00 0.00 N ATOM 0 H ARG X 137 -4.062 -2.986 5.122 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.613 -3.834 6.326 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.633 -3.356 3.465 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.268 -3.832 3.878 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -7.594 -1.752 5.151 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -5.929 -1.285 4.867 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -7.957 -1.765 2.674 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -7.613 -0.192 3.366 1.00 0.00 H new ATOM 0 HE ARG X 137 -5.147 -1.328 2.481 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -8.175 -0.094 1.211 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -7.448 0.434 -0.310 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -4.245 -0.642 0.546 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -5.257 0.129 -0.680 1.00 0.00 H new ATOM 457 N GLU X 138 -6.638 -6.223 5.603 1.00 0.00 N ATOM 458 CA GLU X 138 -6.551 -7.676 5.408 1.00 0.00 C ATOM 459 C GLU X 138 -6.316 -8.102 3.955 1.00 0.00 C ATOM 460 O GLU X 138 -6.831 -7.494 3.013 1.00 0.00 O ATOM 461 CB GLU X 138 -7.789 -8.387 5.965 1.00 0.00 C ATOM 462 CG GLU X 138 -9.105 -7.995 5.304 1.00 0.00 C ATOM 463 CD GLU X 138 -10.287 -8.762 5.882 1.00 0.00 C ATOM 464 OE1 GLU X 138 -10.049 -9.626 6.755 1.00 0.00 O ATOM 465 OE2 GLU X 138 -11.415 -8.502 5.412 1.00 0.00 O ATOM 0 H GLU X 138 -7.516 -5.910 6.016 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.667 -7.982 5.968 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -7.651 -9.463 5.857 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -7.860 -8.180 7.033 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.270 -6.925 5.432 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -9.042 -8.182 4.232 1.00 0.00 H new ATOM 472 N VAL X 139 -5.531 -9.154 3.785 1.00 0.00 N ATOM 473 CA VAL X 139 -5.214 -9.699 2.467 1.00 0.00 C ATOM 474 C VAL X 139 -6.034 -10.957 2.159 1.00 0.00 C ATOM 475 O VAL X 139 -5.739 -12.054 2.615 1.00 0.00 O ATOM 476 CB VAL X 139 -3.692 -10.011 2.321 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.913 -8.736 2.294 1.00 0.00 C ATOM 478 CG2 VAL X 139 -3.165 -10.870 3.463 1.00 0.00 C ATOM 0 H VAL X 139 -5.093 -9.658 4.556 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.480 -8.928 1.744 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.570 -10.563 1.389 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.851 -8.960 2.192 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.238 -8.129 1.449 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -3.080 -8.188 3.221 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -2.102 -11.059 3.315 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.313 -10.349 4.409 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.703 -11.818 3.483 1.00 0.00 H new ATOM 488 N LEU X 140 -7.093 -10.789 1.382 1.00 0.00 N ATOM 489 CA LEU X 140 -7.936 -11.927 1.015 1.00 0.00 C ATOM 490 C LEU X 140 -7.107 -12.910 0.180 1.00 0.00 C ATOM 491 O LEU X 140 -7.274 -14.121 0.256 1.00 0.00 O ATOM 492 CB LEU X 140 -9.161 -11.448 0.229 1.00 0.00 C ATOM 493 CG LEU X 140 -10.121 -10.528 0.999 1.00 0.00 C ATOM 494 CD1 LEU X 140 -11.309 -10.227 0.117 1.00 0.00 C ATOM 495 CD2 LEU X 140 -10.607 -11.158 2.290 1.00 0.00 C ATOM 0 H LEU X 140 -7.390 -9.893 0.996 1.00 0.00 H new ATOM 0 HA LEU X 140 -8.290 -12.429 1.916 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -8.817 -10.922 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.717 -12.321 -0.112 1.00 0.00 H new ATOM 0 HG LEU X 140 -9.582 -9.617 1.260 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -12.001 -9.574 0.649 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -10.970 -9.732 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -11.814 -11.157 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -11.283 -10.470 2.799 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -11.134 -12.085 2.066 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -9.754 -11.372 2.934 1.00 0.00 H new ATOM 507 N ARG X 141 -6.216 -12.355 -0.631 1.00 0.00 N ATOM 508 CA ARG X 141 -5.330 -13.139 -1.497 1.00 0.00 C ATOM 509 C ARG X 141 -3.996 -13.344 -0.748 1.00 0.00 C ATOM 510 O ARG X 141 -3.715 -12.627 0.193 1.00 0.00 O ATOM 511 CB ARG X 141 -5.166 -12.371 -2.820 1.00 0.00 C ATOM 512 CG ARG X 141 -4.287 -13.032 -3.869 1.00 0.00 C ATOM 513 CD ARG X 141 -4.263 -12.194 -5.134 1.00 0.00 C ATOM 514 NE ARG X 141 -3.437 -12.824 -6.161 1.00 0.00 N ATOM 515 CZ ARG X 141 -3.245 -12.321 -7.366 1.00 0.00 C ATOM 516 NH1 ARG X 141 -3.810 -11.200 -7.719 1.00 0.00 N ATOM 517 NH2 ARG X 141 -2.482 -12.948 -8.220 1.00 0.00 N ATOM 0 H ARG X 141 -6.083 -11.347 -0.711 1.00 0.00 H new ATOM 0 HA ARG X 141 -5.731 -14.125 -1.733 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -6.155 -12.213 -3.250 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -4.754 -11.387 -2.597 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -3.274 -13.151 -3.483 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -4.663 -14.031 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -5.279 -12.064 -5.508 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -3.876 -11.200 -4.909 1.00 0.00 H new ATOM 0 HE ARG X 141 -2.980 -13.707 -5.933 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -4.409 -10.701 -7.061 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -3.653 -10.822 -8.653 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -2.035 -13.826 -7.956 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -2.333 -12.560 -9.151 1.00 0.00 H new ATOM 531 N GLN X 142 -3.179 -14.301 -1.163 1.00 0.00 N ATOM 532 CA GLN X 142 -1.889 -14.559 -0.521 1.00 0.00 C ATOM 533 C GLN X 142 -0.908 -13.401 -0.642 1.00 0.00 C ATOM 534 O GLN X 142 -0.389 -13.096 -1.715 1.00 0.00 O ATOM 535 CB GLN X 142 -1.234 -15.808 -1.112 1.00 0.00 C ATOM 536 CG GLN X 142 -1.932 -17.101 -0.740 1.00 0.00 C ATOM 537 CD GLN X 142 -1.303 -18.294 -1.415 1.00 0.00 C ATOM 538 OE1 GLN X 142 -1.869 -18.861 -2.332 1.00 0.00 O ATOM 539 NE2 GLN X 142 -0.124 -18.663 -0.982 1.00 0.00 N ATOM 0 H GLN X 142 -3.385 -14.919 -1.948 1.00 0.00 H new ATOM 0 HA GLN X 142 -2.113 -14.699 0.537 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -1.214 -15.717 -2.198 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -0.198 -15.856 -0.777 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -1.896 -17.235 0.341 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -2.984 -17.039 -1.019 1.00 0.00 H new ATOM 0 HE21 GLN X 142 0.316 -18.161 -0.211 1.00 0.00 H new ATOM 0 HE22 GLN X 142 0.355 -19.452 -1.416 1.00 0.00 H new ATOM 548 N ALA X 143 -0.676 -12.755 0.484 1.00 0.00 N ATOM 549 CA ALA X 143 0.241 -11.639 0.578 1.00 0.00 C ATOM 550 C ALA X 143 1.669 -12.076 0.275 1.00 0.00 C ATOM 551 O ALA X 143 2.113 -13.133 0.729 1.00 0.00 O ATOM 552 CB ALA X 143 0.149 -11.060 1.910 1.00 0.00 C ATOM 0 H ALA X 143 -1.125 -12.994 1.368 1.00 0.00 H new ATOM 0 HA ALA X 143 -0.033 -10.888 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA X 143 0.837 -10.218 1.989 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.869 -10.714 2.087 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.410 -11.813 2.653 1.00 0.00 H new ATOM 558 N LEU X 144 2.384 -11.277 -0.497 1.00 0.00 N ATOM 559 CA LEU X 144 3.760 -11.598 -0.847 1.00 0.00 C ATOM 560 C LEU X 144 4.707 -10.750 -0.028 1.00 0.00 C ATOM 561 O LEU X 144 4.528 -9.544 0.089 1.00 0.00 O ATOM 562 CB LEU X 144 3.986 -11.450 -2.323 1.00 0.00 C ATOM 563 CG LEU X 144 3.091 -12.369 -3.158 1.00 0.00 C ATOM 564 CD1 LEU X 144 1.926 -11.667 -3.767 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.915 -12.979 -4.244 1.00 0.00 C ATOM 0 H LEU X 144 2.038 -10.403 -0.893 1.00 0.00 H new ATOM 0 HA LEU X 144 3.960 -12.642 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.804 -10.415 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU X 144 5.030 -11.665 -2.549 1.00 0.00 H new ATOM 0 HG LEU X 144 2.687 -13.125 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU X 144 1.335 -12.377 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU X 144 1.308 -11.237 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU X 144 2.282 -10.873 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.291 -13.637 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.328 -12.191 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU X 144 4.729 -13.555 -3.803 1.00 0.00 H new ATOM 577 N ARG X 145 5.701 -11.394 0.565 1.00 0.00 N ATOM 578 CA ARG X 145 6.625 -10.707 1.471 1.00 0.00 C ATOM 579 C ARG X 145 8.025 -10.562 0.975 1.00 0.00 C ATOM 580 O ARG X 145 8.746 -11.545 0.921 1.00 0.00 O ATOM 581 CB ARG X 145 6.696 -11.499 2.797 1.00 0.00 C ATOM 582 CG ARG X 145 7.076 -10.664 4.060 1.00 0.00 C ATOM 583 CD ARG X 145 8.459 -10.041 4.142 1.00 0.00 C ATOM 584 NE ARG X 145 8.538 -9.310 5.417 1.00 0.00 N ATOM 585 CZ ARG X 145 9.535 -8.523 5.793 1.00 0.00 C ATOM 586 NH1 ARG X 145 10.565 -8.316 5.029 1.00 0.00 N ATOM 587 NH2 ARG X 145 9.488 -7.939 6.959 1.00 0.00 N ATOM 0 H ARG X 145 5.893 -12.388 0.439 1.00 0.00 H new ATOM 0 HA ARG X 145 6.222 -9.700 1.577 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.728 -11.969 2.971 1.00 0.00 H new ATOM 0 HB3 ARG X 145 7.424 -12.302 2.682 1.00 0.00 H new ATOM 0 HG2 ARG X 145 6.347 -9.860 4.154 1.00 0.00 H new ATOM 0 HG3 ARG X 145 6.954 -11.309 4.930 1.00 0.00 H new ATOM 0 HD2 ARG X 145 9.230 -10.810 4.092 1.00 0.00 H new ATOM 0 HD3 ARG X 145 8.627 -9.367 3.302 1.00 0.00 H new ATOM 0 HE ARG X 145 7.759 -9.419 6.066 1.00 0.00 H new ATOM 0 HH11 ARG X 145 10.620 -8.764 4.114 1.00 0.00 H new ATOM 0 HH12 ARG X 145 11.319 -7.705 5.344 1.00 0.00 H new ATOM 0 HH21 ARG X 145 8.688 -8.090 7.573 1.00 0.00 H new ATOM 0 HH22 ARG X 145 10.252 -7.331 7.256 1.00 0.00 H new ATOM 601 N CYS X 146 8.472 -9.377 0.625 1.00 0.00 N ATOM 602 CA CYS X 146 9.872 -9.304 0.230 1.00 0.00 C ATOM 603 C CYS X 146 10.696 -9.360 1.528 1.00 0.00 C ATOM 604 O CYS X 146 10.904 -8.358 2.209 1.00 0.00 O ATOM 605 CB CYS X 146 10.201 -8.101 -0.610 1.00 0.00 C ATOM 606 SG CYS X 146 12.002 -7.983 -0.858 1.00 0.00 S ATOM 0 H CYS X 146 7.940 -8.507 0.602 1.00 0.00 H new ATOM 0 HA CYS X 146 10.115 -10.142 -0.423 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.697 -8.172 -1.574 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.833 -7.197 -0.124 1.00 0.00 H new ATOM 611 N ALA X 147 11.111 -10.569 1.876 1.00 0.00 N ATOM 612 CA ALA X 147 11.866 -10.844 3.093 1.00 0.00 C ATOM 613 C ALA X 147 13.170 -10.070 3.166 1.00 0.00 C ATOM 614 O ALA X 147 13.709 -9.868 4.243 1.00 0.00 O ATOM 615 CB ALA X 147 12.140 -12.336 3.189 1.00 0.00 C ATOM 0 H ALA X 147 10.931 -11.400 1.313 1.00 0.00 H new ATOM 0 HA ALA X 147 11.258 -10.514 3.936 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.704 -12.545 4.098 1.00 0.00 H new ATOM 0 HB2 ALA X 147 11.195 -12.878 3.216 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.717 -12.656 2.322 1.00 0.00 H new ATOM 621 N ASN X 148 13.674 -9.653 2.018 1.00 0.00 N ATOM 622 CA ASN X 148 14.925 -8.915 1.967 1.00 0.00 C ATOM 623 C ASN X 148 14.922 -7.555 2.611 1.00 0.00 C ATOM 624 O ASN X 148 15.985 -7.042 2.938 1.00 0.00 O ATOM 625 CB ASN X 148 15.431 -8.769 0.527 1.00 0.00 C ATOM 626 CG ASN X 148 15.781 -10.087 -0.123 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.673 -11.157 0.471 1.00 0.00 O ATOM 628 ND2 ASN X 148 16.184 -10.017 -1.364 1.00 0.00 N ATOM 0 H ASN X 148 13.238 -9.812 1.110 1.00 0.00 H new ATOM 0 HA ASN X 148 15.595 -9.533 2.566 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.668 -8.270 -0.070 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.311 -8.125 0.522 1.00 0.00 H new ATOM 0 HD21 ASN X 148 16.421 -10.869 -1.872 1.00 0.00 H new ATOM 0 HD22 ASN X 148 16.261 -9.110 -1.825 1.00 0.00 H new ATOM 635 N CYS X 149 13.753 -6.967 2.797 1.00 0.00 N ATOM 636 CA CYS X 149 13.706 -5.638 3.354 1.00 0.00 C ATOM 637 C CYS X 149 12.353 -5.086 3.789 1.00 0.00 C ATOM 638 O CYS X 149 12.192 -4.552 4.884 1.00 0.00 O ATOM 639 CB CYS X 149 14.217 -4.743 2.209 1.00 0.00 C ATOM 640 SG CYS X 149 13.355 -5.046 0.634 1.00 0.00 S ATOM 0 H CYS X 149 12.848 -7.381 2.575 1.00 0.00 H new ATOM 0 HA CYS X 149 14.280 -5.661 4.280 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.094 -3.697 2.490 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.285 -4.912 2.071 1.00 0.00 H new ATOM 645 N LYS X 150 11.415 -5.166 2.872 1.00 0.00 N ATOM 646 CA LYS X 150 10.079 -4.601 3.067 1.00 0.00 C ATOM 647 C LYS X 150 8.984 -5.318 3.877 1.00 0.00 C ATOM 648 O LYS X 150 9.124 -5.542 5.069 1.00 0.00 O ATOM 649 CB LYS X 150 9.561 -4.081 1.725 1.00 0.00 C ATOM 650 CG LYS X 150 10.398 -2.936 1.187 1.00 0.00 C ATOM 651 CD LYS X 150 9.806 -2.481 -0.100 1.00 0.00 C ATOM 652 CE LYS X 150 10.573 -1.302 -0.734 1.00 0.00 C ATOM 653 NZ LYS X 150 10.578 -0.061 0.100 1.00 0.00 N ATOM 0 H LYS X 150 11.546 -5.621 1.969 1.00 0.00 H new ATOM 0 HA LYS X 150 10.287 -3.824 3.802 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.556 -4.895 1.000 1.00 0.00 H new ATOM 0 HB3 LYS X 150 8.529 -3.750 1.840 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.422 -2.115 1.904 1.00 0.00 H new ATOM 0 HG3 LYS X 150 11.428 -3.258 1.037 1.00 0.00 H new ATOM 0 HD2 LYS X 150 9.790 -3.315 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS X 150 8.770 -2.185 0.067 1.00 0.00 H new ATOM 0 HE2 LYS X 150 11.603 -1.608 -0.917 1.00 0.00 H new ATOM 0 HE3 LYS X 150 10.131 -1.074 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 11.082 0.695 -0.406 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 9.599 0.238 0.283 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 11.057 -0.252 1.003 1.00 0.00 H new ATOM 667 N PHE X 151 7.867 -5.595 3.223 1.00 0.00 N ATOM 668 CA PHE X 151 6.675 -6.161 3.843 1.00 0.00 C ATOM 669 C PHE X 151 5.922 -7.254 3.127 1.00 0.00 C ATOM 670 O PHE X 151 6.259 -7.599 1.998 1.00 0.00 O ATOM 671 CB PHE X 151 5.720 -4.988 3.908 1.00 0.00 C ATOM 672 CG PHE X 151 5.802 -4.056 2.734 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.469 -4.462 1.455 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.200 -2.744 2.934 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.544 -3.585 0.408 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.273 -1.866 1.886 1.00 0.00 C ATOM 677 CZ PHE X 151 5.942 -2.280 0.625 1.00 0.00 C ATOM 0 H PHE X 151 7.760 -5.429 2.222 1.00 0.00 H new ATOM 0 HA PHE X 151 7.012 -6.633 4.766 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.701 -5.368 3.984 1.00 0.00 H new ATOM 0 HB3 PHE X 151 5.918 -4.424 4.819 1.00 0.00 H new ATOM 0 HD1 PHE X 151 5.148 -5.478 1.281 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.456 -2.410 3.929 1.00 0.00 H new ATOM 0 HE1 PHE X 151 5.292 -3.913 -0.590 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.591 -0.848 2.055 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.992 -1.586 -0.201 1.00 0.00 H new ATOM 687 N THR X 152 4.874 -7.760 3.778 1.00 0.00 N ATOM 688 CA THR X 152 4.005 -8.775 3.198 1.00 0.00 C ATOM 689 C THR X 152 2.791 -7.992 2.710 1.00 0.00 C ATOM 690 O THR X 152 1.942 -7.573 3.476 1.00 0.00 O ATOM 691 CB THR X 152 3.647 -9.917 4.200 1.00 0.00 C ATOM 692 OG1 THR X 152 2.911 -10.929 3.516 1.00 0.00 O ATOM 693 CG2 THR X 152 2.841 -9.470 5.395 1.00 0.00 C ATOM 0 H THR X 152 4.607 -7.476 4.721 1.00 0.00 H new ATOM 0 HA THR X 152 4.489 -9.316 2.385 1.00 0.00 H new ATOM 0 HB THR X 152 4.599 -10.286 4.582 1.00 0.00 H new ATOM 0 HG1 THR X 152 2.101 -11.145 4.024 1.00 0.00 H new ATOM 0 HG21 THR X 152 2.637 -10.327 6.038 1.00 0.00 H new ATOM 0 HG22 THR X 152 3.404 -8.722 5.954 1.00 0.00 H new ATOM 0 HG23 THR X 152 1.899 -9.038 5.057 1.00 0.00 H new ATOM 701 N CYS X 153 2.759 -7.718 1.426 1.00 0.00 N ATOM 702 CA CYS X 153 1.690 -6.908 0.862 1.00 0.00 C ATOM 703 C CYS X 153 0.725 -7.643 -0.052 1.00 0.00 C ATOM 704 O CYS X 153 1.058 -8.703 -0.593 1.00 0.00 O ATOM 705 CB CYS X 153 2.348 -5.810 0.024 1.00 0.00 C ATOM 706 SG CYS X 153 3.375 -6.445 -1.313 1.00 0.00 S ATOM 0 H CYS X 153 3.454 -8.039 0.751 1.00 0.00 H new ATOM 0 HA CYS X 153 1.103 -6.550 1.707 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.572 -5.171 -0.397 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.959 -5.184 0.675 1.00 0.00 H new ATOM 0 HG CYS X 153 3.892 -5.451 -1.972 1.00 0.00 H new ATOM 712 N HIS X 154 -0.452 -7.062 -0.276 1.00 0.00 N ATOM 713 CA HIS X 154 -1.421 -7.671 -1.223 1.00 0.00 C ATOM 714 C HIS X 154 -0.680 -7.839 -2.556 1.00 0.00 C ATOM 715 O HIS X 154 0.170 -7.006 -2.923 1.00 0.00 O ATOM 716 CB HIS X 154 -2.656 -6.805 -1.593 1.00 0.00 C ATOM 717 CG HIS X 154 -3.574 -6.461 -0.465 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.356 -5.397 0.409 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.759 -7.050 -0.095 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.410 -5.410 1.279 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.249 -6.389 0.986 1.00 0.00 N ATOM 0 H HIS X 154 -0.764 -6.196 0.164 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.779 -8.574 -0.729 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.303 -5.878 -2.044 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.230 -7.332 -2.355 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.223 -7.896 -0.581 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.540 -4.715 2.095 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.112 -6.609 1.484 1.00 0.00 H new ATOM 729 N SER X 155 -1.021 -8.882 -3.297 1.00 0.00 N ATOM 730 CA SER X 155 -0.404 -9.134 -4.597 1.00 0.00 C ATOM 731 C SER X 155 -0.567 -7.867 -5.419 1.00 0.00 C ATOM 732 O SER X 155 0.360 -7.374 -6.043 1.00 0.00 O ATOM 733 CB SER X 155 -1.124 -10.277 -5.302 1.00 0.00 C ATOM 734 OG SER X 155 -1.143 -11.440 -4.492 1.00 0.00 O ATOM 0 H SER X 155 -1.722 -9.570 -3.023 1.00 0.00 H new ATOM 0 HA SER X 155 0.646 -9.403 -4.478 1.00 0.00 H new ATOM 0 HB2 SER X 155 -2.145 -9.978 -5.539 1.00 0.00 H new ATOM 0 HB3 SER X 155 -0.628 -10.496 -6.248 1.00 0.00 H new ATOM 0 HG SER X 155 -1.150 -12.236 -5.063 1.00 0.00 H new ATOM 740 N GLU X 156 -1.785 -7.367 -5.400 1.00 0.00 N ATOM 741 CA GLU X 156 -2.179 -6.156 -6.093 1.00 0.00 C ATOM 742 C GLU X 156 -1.365 -4.935 -5.626 1.00 0.00 C ATOM 743 O GLU X 156 -0.954 -4.106 -6.442 1.00 0.00 O ATOM 744 CB GLU X 156 -3.674 -5.921 -5.822 1.00 0.00 C ATOM 745 CG GLU X 156 -4.603 -6.993 -6.451 1.00 0.00 C ATOM 746 CD GLU X 156 -4.646 -8.339 -5.682 1.00 0.00 C ATOM 747 OE1 GLU X 156 -4.107 -8.423 -4.551 1.00 0.00 O ATOM 748 OE2 GLU X 156 -5.198 -9.298 -6.260 1.00 0.00 O ATOM 0 H GLU X 156 -2.551 -7.804 -4.887 1.00 0.00 H new ATOM 0 HA GLU X 156 -1.987 -6.279 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -3.839 -5.898 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.953 -4.941 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -5.614 -6.590 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -4.276 -7.184 -7.473 1.00 0.00 H new ATOM 755 N CYS X 157 -1.126 -4.839 -4.319 1.00 0.00 N ATOM 756 CA CYS X 157 -0.375 -3.730 -3.737 1.00 0.00 C ATOM 757 C CYS X 157 1.082 -3.697 -4.181 1.00 0.00 C ATOM 758 O CYS X 157 1.711 -2.644 -4.129 1.00 0.00 O ATOM 759 CB CYS X 157 -0.478 -3.748 -2.207 1.00 0.00 C ATOM 760 SG CYS X 157 -2.118 -3.325 -1.656 1.00 0.00 S ATOM 0 H CYS X 157 -1.447 -5.526 -3.636 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.833 -2.815 -4.113 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.213 -4.738 -1.835 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.241 -3.046 -1.785 1.00 0.00 H new ATOM 765 N ARG X 158 1.615 -4.832 -4.633 1.00 0.00 N ATOM 766 CA ARG X 158 3.016 -4.873 -5.114 1.00 0.00 C ATOM 767 C ARG X 158 3.253 -3.818 -6.191 1.00 0.00 C ATOM 768 O ARG X 158 4.357 -3.319 -6.346 1.00 0.00 O ATOM 769 CB ARG X 158 3.376 -6.225 -5.729 1.00 0.00 C ATOM 770 CG ARG X 158 3.404 -7.391 -4.767 1.00 0.00 C ATOM 771 CD ARG X 158 3.644 -8.681 -5.533 1.00 0.00 C ATOM 772 NE ARG X 158 4.940 -8.689 -6.211 1.00 0.00 N ATOM 773 CZ ARG X 158 5.353 -9.662 -7.003 1.00 0.00 C ATOM 774 NH1 ARG X 158 4.595 -10.703 -7.212 1.00 0.00 N ATOM 775 NH2 ARG X 158 6.520 -9.594 -7.584 1.00 0.00 N ATOM 0 H ARG X 158 1.120 -5.722 -4.680 1.00 0.00 H new ATOM 0 HA ARG X 158 3.637 -4.688 -4.237 1.00 0.00 H new ATOM 0 HB2 ARG X 158 2.660 -6.447 -6.520 1.00 0.00 H new ATOM 0 HB3 ARG X 158 4.356 -6.141 -6.200 1.00 0.00 H new ATOM 0 HG2 ARG X 158 4.190 -7.245 -4.026 1.00 0.00 H new ATOM 0 HG3 ARG X 158 2.461 -7.449 -4.224 1.00 0.00 H new ATOM 0 HD2 ARG X 158 3.591 -9.525 -4.845 1.00 0.00 H new ATOM 0 HD3 ARG X 158 2.851 -8.818 -6.268 1.00 0.00 H new ATOM 0 HE ARG X 158 5.563 -7.895 -6.063 1.00 0.00 H new ATOM 0 HH11 ARG X 158 3.681 -10.767 -6.763 1.00 0.00 H new ATOM 0 HH12 ARG X 158 4.916 -11.453 -7.824 1.00 0.00 H new ATOM 0 HH21 ARG X 158 7.121 -8.785 -7.428 1.00 0.00 H new ATOM 0 HH22 ARG X 158 6.831 -10.350 -8.194 1.00 0.00 H new ATOM 789 N SER X 159 2.202 -3.491 -6.927 1.00 0.00 N ATOM 790 CA SER X 159 2.257 -2.489 -7.992 1.00 0.00 C ATOM 791 C SER X 159 2.799 -1.142 -7.507 1.00 0.00 C ATOM 792 O SER X 159 3.538 -0.467 -8.209 1.00 0.00 O ATOM 793 CB SER X 159 0.848 -2.256 -8.533 1.00 0.00 C ATOM 794 OG SER X 159 0.272 -3.475 -8.970 1.00 0.00 O ATOM 0 H SER X 159 1.281 -3.912 -6.806 1.00 0.00 H new ATOM 0 HA SER X 159 2.930 -2.875 -8.758 1.00 0.00 H new ATOM 0 HB2 SER X 159 0.224 -1.810 -7.758 1.00 0.00 H new ATOM 0 HB3 SER X 159 0.883 -1.547 -9.360 1.00 0.00 H new ATOM 0 HG SER X 159 -0.220 -3.888 -8.230 1.00 0.00 H new ATOM 800 N LEU X 160 2.394 -0.746 -6.307 1.00 0.00 N ATOM 801 CA LEU X 160 2.805 0.526 -5.711 1.00 0.00 C ATOM 802 C LEU X 160 4.285 0.603 -5.304 1.00 0.00 C ATOM 803 O LEU X 160 4.755 1.645 -4.855 1.00 0.00 O ATOM 804 CB LEU X 160 1.963 0.761 -4.448 1.00 0.00 C ATOM 805 CG LEU X 160 0.441 0.783 -4.634 1.00 0.00 C ATOM 806 CD1 LEU X 160 -0.202 1.113 -3.313 1.00 0.00 C ATOM 807 CD2 LEU X 160 0.018 1.799 -5.671 1.00 0.00 C ATOM 0 H LEU X 160 1.770 -1.296 -5.716 1.00 0.00 H new ATOM 0 HA LEU X 160 2.653 1.281 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU X 160 2.207 -0.018 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU X 160 2.267 1.711 -4.008 1.00 0.00 H new ATOM 0 HG LEU X 160 0.121 -0.198 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -1.285 1.132 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU X 160 0.070 0.356 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU X 160 0.143 2.090 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -1.067 1.784 -5.774 1.00 0.00 H new ATOM 0 HD22 LEU X 160 0.339 2.793 -5.359 1.00 0.00 H new ATOM 0 HD23 LEU X 160 0.476 1.554 -6.629 1.00 0.00 H new ATOM 819 N ILE X 161 5.022 -0.488 -5.446 1.00 0.00 N ATOM 820 CA ILE X 161 6.435 -0.499 -5.069 1.00 0.00 C ATOM 821 C ILE X 161 7.321 -0.282 -6.285 1.00 0.00 C ATOM 822 O ILE X 161 7.584 -1.193 -7.058 1.00 0.00 O ATOM 823 CB ILE X 161 6.844 -1.823 -4.332 1.00 0.00 C ATOM 824 CG1 ILE X 161 6.152 -1.986 -2.961 1.00 0.00 C ATOM 825 CG2 ILE X 161 8.329 -1.828 -4.026 1.00 0.00 C ATOM 826 CD1 ILE X 161 4.643 -2.099 -2.951 1.00 0.00 C ATOM 0 H ILE X 161 4.673 -1.372 -5.816 1.00 0.00 H new ATOM 0 HA ILE X 161 6.581 0.325 -4.370 1.00 0.00 H new ATOM 0 HB ILE X 161 6.549 -2.625 -5.009 1.00 0.00 H new ATOM 0 HG12 ILE X 161 6.559 -2.876 -2.482 1.00 0.00 H new ATOM 0 HG13 ILE X 161 6.430 -1.134 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE X 161 8.592 -2.754 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE X 161 8.892 -1.754 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE X 161 8.572 -0.979 -3.386 1.00 0.00 H new ATOM 0 HD11 ILE X 161 4.293 -2.209 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE X 161 4.208 -1.201 -3.389 1.00 0.00 H new ATOM 0 HD13 ILE X 161 4.339 -2.969 -3.533 1.00 0.00 H new ATOM 838 N GLN X 162 7.790 0.948 -6.434 1.00 0.00 N ATOM 839 CA GLN X 162 8.666 1.317 -7.547 1.00 0.00 C ATOM 840 C GLN X 162 10.147 1.384 -7.149 1.00 0.00 C ATOM 841 O GLN X 162 10.973 1.897 -7.891 1.00 0.00 O ATOM 842 CB GLN X 162 8.158 2.616 -8.204 1.00 0.00 C ATOM 843 CG GLN X 162 8.083 3.866 -7.300 1.00 0.00 C ATOM 844 CD GLN X 162 9.426 4.365 -6.814 1.00 0.00 C ATOM 845 OE1 GLN X 162 9.707 4.345 -5.629 1.00 0.00 O ATOM 846 NE2 GLN X 162 10.239 4.852 -7.715 1.00 0.00 N ATOM 0 H GLN X 162 7.579 1.715 -5.796 1.00 0.00 H new ATOM 0 HA GLN X 162 8.620 0.522 -8.291 1.00 0.00 H new ATOM 0 HB2 GLN X 162 8.806 2.846 -9.050 1.00 0.00 H new ATOM 0 HB3 GLN X 162 7.163 2.427 -8.607 1.00 0.00 H new ATOM 0 HG2 GLN X 162 7.588 4.667 -7.848 1.00 0.00 H new ATOM 0 HG3 GLN X 162 7.459 3.638 -6.436 1.00 0.00 H new ATOM 0 HE21 GLN X 162 9.969 4.852 -8.699 1.00 0.00 H new ATOM 0 HE22 GLN X 162 11.143 5.232 -7.434 1.00 0.00 H new ATOM 855 N LEU X 163 10.477 0.843 -5.980 1.00 0.00 N ATOM 856 CA LEU X 163 11.864 0.838 -5.499 1.00 0.00 C ATOM 857 C LEU X 163 12.213 -0.495 -4.827 1.00 0.00 C ATOM 858 O LEU X 163 11.594 -0.880 -3.835 1.00 0.00 O ATOM 859 CB LEU X 163 12.136 2.011 -4.530 1.00 0.00 C ATOM 860 CG LEU X 163 11.485 2.104 -3.131 1.00 0.00 C ATOM 861 CD1 LEU X 163 11.894 3.426 -2.529 1.00 0.00 C ATOM 862 CD2 LEU X 163 9.967 2.008 -3.093 1.00 0.00 C ATOM 0 H LEU X 163 9.809 0.403 -5.347 1.00 0.00 H new ATOM 0 HA LEU X 163 12.504 0.965 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU X 163 13.214 2.042 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU X 163 11.864 2.923 -5.061 1.00 0.00 H new ATOM 0 HG LEU X 163 11.838 1.235 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU X 163 11.452 3.527 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU X 163 12.980 3.468 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU X 163 11.546 4.239 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU X 163 9.623 2.085 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU X 163 9.536 2.819 -3.681 1.00 0.00 H new ATOM 0 HD23 LEU X 163 9.652 1.051 -3.509 1.00 0.00 H new ATOM 874 N ASP X 164 13.189 -1.183 -5.410 1.00 0.00 N ATOM 875 CA ASP X 164 13.695 -2.498 -4.957 1.00 0.00 C ATOM 876 C ASP X 164 14.323 -2.630 -3.568 1.00 0.00 C ATOM 877 O ASP X 164 14.271 -1.708 -2.748 1.00 0.00 O ATOM 878 CB ASP X 164 14.520 -3.152 -6.073 1.00 0.00 C ATOM 879 CG ASP X 164 13.633 -3.738 -7.162 1.00 0.00 C ATOM 880 OD1 ASP X 164 12.583 -4.306 -6.751 1.00 0.00 O ATOM 881 OD2 ASP X 164 14.153 -3.942 -8.268 1.00 0.00 O ATOM 0 H ASP X 164 13.673 -0.839 -6.239 1.00 0.00 H new ATOM 0 HA ASP X 164 12.783 -3.064 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP X 164 15.191 -2.413 -6.510 1.00 0.00 H new ATOM 0 HB3 ASP X 164 15.144 -3.939 -5.650 1.00 0.00 H new ATOM 886 N CYS X 165 14.817 -3.832 -3.277 1.00 0.00 N ATOM 887 CA CYS X 165 15.382 -4.155 -1.988 1.00 0.00 C ATOM 888 C CYS X 165 16.375 -3.128 -1.427 1.00 0.00 C ATOM 889 O CYS X 165 17.389 -2.780 -2.024 1.00 0.00 O ATOM 890 CB CYS X 165 16.027 -5.546 -2.050 1.00 0.00 C ATOM 891 SG CYS X 165 14.954 -6.924 -2.444 1.00 0.00 S ATOM 0 H CYS X 165 14.832 -4.607 -3.940 1.00 0.00 H new ATOM 0 HA CYS X 165 14.547 -4.138 -1.287 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.826 -5.516 -2.791 1.00 0.00 H new ATOM 0 HB3 CYS X 165 16.494 -5.746 -1.086 1.00 0.00 H new ATOM 896 N ARG X 166 15.999 -2.669 -0.244 1.00 0.00 N ATOM 897 CA ARG X 166 16.760 -1.690 0.541 1.00 0.00 C ATOM 898 C ARG X 166 18.176 -2.164 0.838 1.00 0.00 C ATOM 899 O ARG X 166 18.934 -1.258 1.245 1.00 0.00 O ATOM 900 CB ARG X 166 16.079 -1.469 1.884 1.00 0.00 C ATOM 901 CG ARG X 166 14.694 -0.858 1.826 1.00 0.00 C ATOM 902 CD ARG X 166 14.086 -0.809 3.235 1.00 0.00 C ATOM 903 NE ARG X 166 14.850 0.056 4.140 1.00 0.00 N ATOM 904 CZ ARG X 166 15.739 -0.382 5.019 1.00 0.00 C ATOM 905 NH1 ARG X 166 15.991 -1.657 5.146 1.00 0.00 N ATOM 906 NH2 ARG X 166 16.378 0.468 5.775 1.00 0.00 N ATOM 907 OXT ARG X 166 18.255 -3.370 1.139 1.00 0.00 O ATOM 0 H ARG X 166 15.138 -2.969 0.214 1.00 0.00 H new ATOM 0 HA ARG X 166 16.799 -0.777 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG X 166 16.012 -2.428 2.399 1.00 0.00 H new ATOM 0 HB3 ARG X 166 16.715 -0.825 2.491 1.00 0.00 H new ATOM 0 HG2 ARG X 166 14.748 0.147 1.408 1.00 0.00 H new ATOM 0 HG3 ARG X 166 14.056 -1.444 1.165 1.00 0.00 H new ATOM 0 HD2 ARG X 166 13.059 -0.449 3.173 1.00 0.00 H new ATOM 0 HD3 ARG X 166 14.046 -1.817 3.647 1.00 0.00 H new ATOM 0 HE ARG X 166 14.686 1.061 4.089 1.00 0.00 H new ATOM 0 HH11 ARG X 166 15.500 -2.335 4.563 1.00 0.00 H new ATOM 0 HH12 ARG X 166 16.679 -1.975 5.828 1.00 0.00 H new ATOM 0 HH21 ARG X 166 16.193 1.467 5.688 1.00 0.00 H new ATOM 0 HH22 ARG X 166 17.063 0.133 6.453 1.00 0.00 H new TER 921 ARG X 166 HETATM 922 ZN ZN X 1 -1.988 -3.674 0.456 1.00 0.00 ZN HETATM 923 ZN ZN X 2 13.414 -6.228 -1.192 1.00 0.00 ZN