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= 1.14 K(o=1.1,f=-1.5!) USER MOD Single : X 148 ASN : amide:sc= 0.486 K(o=0.49,f=-5.2!) USER MOD Single : X 150 LYS NZ :NH3+ -170:sc= 0.678 (180deg=0.65) USER MOD Single : X 152 THR OG1 : rot 180:sc= 0 USER MOD Single : X 153 CYS SG : rot -23:sc= 0.273 USER MOD Single : X 155 SER OG : rot -21:sc= 0.575 USER MOD Single : X 159 SER OG : rot -84:sc= 1.32 USER MOD Single : X 162 GLN : amide:sc=-0.00345 X(o=-0.0035,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO X 108 17.332 -22.809 -15.321 1.00 0.00 N ATOM 2 CA PRO X 108 16.119 -23.036 -16.149 1.00 0.00 C ATOM 3 C PRO X 108 15.394 -21.708 -16.305 1.00 0.00 C ATOM 4 O PRO X 108 15.997 -20.673 -16.064 1.00 0.00 O ATOM 5 CB PRO X 108 15.274 -24.045 -15.380 1.00 0.00 C ATOM 6 CG PRO X 108 16.354 -24.838 -14.641 1.00 0.00 C ATOM 7 CD PRO X 108 17.334 -23.744 -14.178 1.00 0.00 C ATOM 0 HA PRO X 108 16.342 -23.414 -17.146 1.00 0.00 H new ATOM 0 HB2 PRO X 108 14.578 -23.561 -14.695 1.00 0.00 H new ATOM 0 HB3 PRO X 108 14.682 -24.676 -16.043 1.00 0.00 H new ATOM 0 HG2 PRO X 108 15.941 -25.393 -13.798 1.00 0.00 H new ATOM 0 HG3 PRO X 108 16.839 -25.564 -15.294 1.00 0.00 H new ATOM 0 HD2 PRO X 108 17.000 -23.262 -13.259 1.00 0.00 H new ATOM 0 HD3 PRO X 108 18.329 -24.146 -13.984 1.00 0.00 H new ATOM 15 N ARG X 109 14.123 -21.731 -16.699 1.00 0.00 N ATOM 16 CA ARG X 109 13.344 -20.491 -16.855 1.00 0.00 C ATOM 17 C ARG X 109 13.327 -19.727 -15.535 1.00 0.00 C ATOM 18 O ARG X 109 12.937 -20.273 -14.514 1.00 0.00 O ATOM 19 CB ARG X 109 11.898 -20.795 -17.272 1.00 0.00 C ATOM 20 CG ARG X 109 11.756 -21.438 -18.649 1.00 0.00 C ATOM 21 CD ARG X 109 10.277 -21.682 -18.972 1.00 0.00 C ATOM 22 NE ARG X 109 10.086 -22.328 -20.275 1.00 0.00 N ATOM 23 CZ ARG X 109 10.015 -21.683 -21.430 1.00 0.00 C ATOM 24 NH1 ARG X 109 10.107 -20.380 -21.472 1.00 0.00 N ATOM 25 NH2 ARG X 109 9.853 -22.347 -22.541 1.00 0.00 N ATOM 0 H ARG X 109 13.608 -22.584 -16.916 1.00 0.00 H new ATOM 0 HA ARG X 109 13.816 -19.891 -17.633 1.00 0.00 H new ATOM 0 HB2 ARG X 109 11.451 -21.455 -16.529 1.00 0.00 H new ATOM 0 HB3 ARG X 109 11.327 -19.867 -17.258 1.00 0.00 H new ATOM 0 HG2 ARG X 109 12.199 -20.792 -19.407 1.00 0.00 H new ATOM 0 HG3 ARG X 109 12.302 -22.381 -18.676 1.00 0.00 H new ATOM 0 HD2 ARG X 109 9.836 -22.305 -18.193 1.00 0.00 H new ATOM 0 HD3 ARG X 109 9.744 -20.731 -18.960 1.00 0.00 H new ATOM 0 HE ARG X 109 10.002 -23.344 -20.293 1.00 0.00 H new ATOM 0 HH11 ARG X 109 10.235 -19.850 -20.610 1.00 0.00 H new ATOM 0 HH12 ARG X 109 10.051 -19.893 -22.367 1.00 0.00 H new ATOM 0 HH21 ARG X 109 9.781 -23.364 -22.521 1.00 0.00 H new ATOM 0 HH22 ARG X 109 9.798 -21.849 -23.429 1.00 0.00 H new ATOM 39 N VAL X 110 13.735 -18.469 -15.561 1.00 0.00 N ATOM 40 CA VAL X 110 13.764 -17.635 -14.353 1.00 0.00 C ATOM 41 C VAL X 110 12.440 -16.895 -14.142 1.00 0.00 C ATOM 42 O VAL X 110 12.413 -15.695 -13.939 1.00 0.00 O ATOM 43 CB VAL X 110 14.953 -16.630 -14.394 1.00 0.00 C ATOM 44 CG1 VAL X 110 16.265 -17.381 -14.237 1.00 0.00 C ATOM 45 CG2 VAL X 110 14.993 -15.867 -15.728 1.00 0.00 C ATOM 0 H VAL X 110 14.054 -17.994 -16.405 1.00 0.00 H new ATOM 0 HA VAL X 110 13.908 -18.304 -13.504 1.00 0.00 H new ATOM 0 HB VAL X 110 14.814 -15.920 -13.579 1.00 0.00 H new ATOM 0 HG11 VAL X 110 17.094 -16.674 -14.266 1.00 0.00 H new ATOM 0 HG12 VAL X 110 16.271 -17.908 -13.283 1.00 0.00 H new ATOM 0 HG13 VAL X 110 16.372 -18.100 -15.049 1.00 0.00 H new ATOM 0 HG21 VAL X 110 15.834 -15.173 -15.725 1.00 0.00 H new ATOM 0 HG22 VAL X 110 15.109 -16.575 -16.549 1.00 0.00 H new ATOM 0 HG23 VAL X 110 14.064 -15.311 -15.857 1.00 0.00 H new ATOM 55 N LEU X 111 11.339 -17.633 -14.226 1.00 0.00 N ATOM 56 CA LEU X 111 10.001 -17.056 -14.034 1.00 0.00 C ATOM 57 C LEU X 111 9.918 -16.391 -12.654 1.00 0.00 C ATOM 58 O LEU X 111 9.462 -15.265 -12.520 1.00 0.00 O ATOM 59 CB LEU X 111 8.935 -18.150 -14.170 1.00 0.00 C ATOM 60 CG LEU X 111 7.503 -17.762 -13.767 1.00 0.00 C ATOM 61 CD1 LEU X 111 6.975 -16.637 -14.634 1.00 0.00 C ATOM 62 CD2 LEU X 111 6.613 -18.971 -13.923 1.00 0.00 C ATOM 0 H LEU X 111 11.340 -18.633 -14.426 1.00 0.00 H new ATOM 0 HA LEU X 111 9.820 -16.300 -14.798 1.00 0.00 H new ATOM 0 HB2 LEU X 111 8.919 -18.485 -15.207 1.00 0.00 H new ATOM 0 HB3 LEU X 111 9.241 -19.003 -13.564 1.00 0.00 H new ATOM 0 HG LEU X 111 7.510 -17.419 -12.732 1.00 0.00 H new ATOM 0 HD11 LEU X 111 5.961 -16.385 -14.325 1.00 0.00 H new ATOM 0 HD12 LEU X 111 7.616 -15.762 -14.525 1.00 0.00 H new ATOM 0 HD13 LEU X 111 6.968 -16.954 -15.677 1.00 0.00 H new ATOM 0 HD21 LEU X 111 5.593 -18.711 -13.640 1.00 0.00 H new ATOM 0 HD22 LEU X 111 6.629 -19.303 -14.961 1.00 0.00 H new ATOM 0 HD23 LEU X 111 6.974 -19.774 -13.280 1.00 0.00 H new ATOM 74 N ALA X 112 10.368 -17.129 -11.646 1.00 0.00 N ATOM 75 CA ALA X 112 10.396 -16.658 -10.262 1.00 0.00 C ATOM 76 C ALA X 112 11.187 -15.356 -10.156 1.00 0.00 C ATOM 77 O ALA X 112 12.282 -15.244 -10.715 1.00 0.00 O ATOM 78 CB ALA X 112 11.004 -17.720 -9.353 1.00 0.00 C ATOM 0 H ALA X 112 10.726 -18.077 -11.764 1.00 0.00 H new ATOM 0 HA ALA X 112 9.372 -16.468 -9.942 1.00 0.00 H new ATOM 0 HB1 ALA X 112 11.018 -17.355 -8.326 1.00 0.00 H new ATOM 0 HB2 ALA X 112 10.407 -18.630 -9.407 1.00 0.00 H new ATOM 0 HB3 ALA X 112 12.023 -17.935 -9.676 1.00 0.00 H new ATOM 84 N GLU X 113 10.628 -14.379 -9.459 1.00 0.00 N ATOM 85 CA GLU X 113 11.272 -13.087 -9.282 1.00 0.00 C ATOM 86 C GLU X 113 12.691 -13.238 -8.728 1.00 0.00 C ATOM 87 O GLU X 113 13.002 -14.176 -7.985 1.00 0.00 O ATOM 88 CB GLU X 113 10.450 -12.206 -8.328 1.00 0.00 C ATOM 89 CG GLU X 113 9.120 -11.685 -8.906 1.00 0.00 C ATOM 90 CD GLU X 113 7.954 -12.686 -8.851 1.00 0.00 C ATOM 91 OE1 GLU X 113 8.162 -13.848 -8.446 1.00 0.00 O ATOM 92 OE2 GLU X 113 6.824 -12.223 -9.140 1.00 0.00 O ATOM 0 H GLU X 113 9.720 -14.459 -9.002 1.00 0.00 H new ATOM 0 HA GLU X 113 11.330 -12.616 -10.263 1.00 0.00 H new ATOM 0 HB2 GLU X 113 10.237 -12.776 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU X 113 11.059 -11.352 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU X 113 8.833 -10.785 -8.363 1.00 0.00 H new ATOM 0 HG3 GLU X 113 9.281 -11.394 -9.944 1.00 0.00 H new ATOM 99 N ARG X 114 13.554 -12.308 -9.119 1.00 0.00 N ATOM 100 CA ARG X 114 14.956 -12.305 -8.696 1.00 0.00 C ATOM 101 C ARG X 114 14.980 -12.311 -7.162 1.00 0.00 C ATOM 102 O ARG X 114 14.514 -11.378 -6.530 1.00 0.00 O ATOM 103 CB ARG X 114 15.630 -11.054 -9.277 1.00 0.00 C ATOM 104 CG ARG X 114 17.099 -10.916 -8.971 1.00 0.00 C ATOM 105 CD ARG X 114 17.914 -11.953 -9.753 1.00 0.00 C ATOM 106 NE ARG X 114 19.350 -11.789 -9.534 1.00 0.00 N ATOM 107 CZ ARG X 114 20.285 -12.560 -10.054 1.00 0.00 C ATOM 108 NH1 ARG X 114 19.963 -13.554 -10.839 1.00 0.00 N ATOM 109 NH2 ARG X 114 21.534 -12.329 -9.783 1.00 0.00 N ATOM 0 H ARG X 114 13.306 -11.535 -9.737 1.00 0.00 H new ATOM 0 HA ARG X 114 15.499 -13.179 -9.055 1.00 0.00 H new ATOM 0 HB2 ARG X 114 15.500 -11.060 -10.359 1.00 0.00 H new ATOM 0 HB3 ARG X 114 15.112 -10.173 -8.898 1.00 0.00 H new ATOM 0 HG2 ARG X 114 17.436 -9.912 -9.228 1.00 0.00 H new ATOM 0 HG3 ARG X 114 17.267 -11.045 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG X 114 17.612 -12.956 -9.451 1.00 0.00 H new ATOM 0 HD3 ARG X 114 17.695 -11.861 -10.817 1.00 0.00 H new ATOM 0 HE ARG X 114 19.651 -11.021 -8.934 1.00 0.00 H new ATOM 0 HH11 ARG X 114 18.983 -13.738 -11.053 1.00 0.00 H new ATOM 0 HH12 ARG X 114 20.692 -14.146 -11.237 1.00 0.00 H new ATOM 0 HH21 ARG X 114 21.788 -11.554 -9.170 1.00 0.00 H new ATOM 0 HH22 ARG X 114 22.261 -12.923 -10.183 1.00 0.00 H new ATOM 123 N GLY X 115 15.529 -13.364 -6.570 1.00 0.00 N ATOM 124 CA GLY X 115 15.528 -13.474 -5.116 1.00 0.00 C ATOM 125 C GLY X 115 16.445 -12.560 -4.331 1.00 0.00 C ATOM 126 O GLY X 115 16.194 -12.320 -3.149 1.00 0.00 O ATOM 0 H GLY X 115 15.972 -14.140 -7.062 1.00 0.00 H new ATOM 0 HA2 GLY X 115 14.509 -13.302 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY X 115 15.783 -14.502 -4.859 1.00 0.00 H new ATOM 130 N GLU X 116 17.511 -12.066 -4.942 1.00 0.00 N ATOM 131 CA GLU X 116 18.415 -11.140 -4.247 1.00 0.00 C ATOM 132 C GLU X 116 17.741 -9.760 -4.195 1.00 0.00 C ATOM 133 O GLU X 116 18.060 -8.931 -3.359 1.00 0.00 O ATOM 134 CB GLU X 116 19.788 -11.100 -4.930 1.00 0.00 C ATOM 135 CG GLU X 116 19.742 -10.597 -6.351 1.00 0.00 C ATOM 136 CD GLU X 116 21.094 -10.607 -7.038 1.00 0.00 C ATOM 137 OE1 GLU X 116 21.852 -11.545 -6.734 1.00 0.00 O ATOM 138 OE2 GLU X 116 21.100 -10.050 -8.157 1.00 0.00 O ATOM 0 H GLU X 116 17.776 -12.282 -5.903 1.00 0.00 H new ATOM 0 HA GLU X 116 18.598 -11.479 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU X 116 20.455 -10.462 -4.349 1.00 0.00 H new ATOM 0 HB3 GLU X 116 20.218 -12.102 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU X 116 19.047 -11.211 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU X 116 19.348 -9.581 -6.356 1.00 0.00 H new ATOM 145 N GLY X 117 16.790 -9.553 -5.105 1.00 0.00 N ATOM 146 CA GLY X 117 16.028 -8.311 -5.179 1.00 0.00 C ATOM 147 C GLY X 117 14.713 -8.597 -4.490 1.00 0.00 C ATOM 148 O GLY X 117 14.677 -9.514 -3.676 1.00 0.00 O ATOM 0 H GLY X 117 16.528 -10.242 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY X 117 16.559 -7.496 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY X 117 15.870 -8.009 -6.214 1.00 0.00 H new ATOM 152 N HIS X 118 13.631 -7.869 -4.763 1.00 0.00 N ATOM 153 CA HIS X 118 12.378 -8.202 -4.076 1.00 0.00 C ATOM 154 C HIS X 118 11.864 -9.577 -4.467 1.00 0.00 C ATOM 155 O HIS X 118 11.237 -9.748 -5.506 1.00 0.00 O ATOM 156 CB HIS X 118 11.221 -7.240 -4.340 1.00 0.00 C ATOM 157 CG HIS X 118 11.433 -5.838 -3.871 1.00 0.00 C ATOM 158 ND1 HIS X 118 12.258 -5.481 -2.807 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.842 -4.691 -4.321 1.00 0.00 C ATOM 160 CE1 HIS X 118 12.144 -4.131 -2.693 1.00 0.00 C ATOM 161 NE2 HIS X 118 11.310 -3.652 -3.595 1.00 0.00 N ATOM 0 H HIS X 118 13.589 -7.087 -5.417 1.00 0.00 H new ATOM 0 HA HIS X 118 12.661 -8.145 -3.025 1.00 0.00 H new ATOM 0 HB2 HIS X 118 11.025 -7.221 -5.412 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.326 -7.634 -3.859 1.00 0.00 H new ATOM 0 HD2 HIS X 118 10.121 -4.626 -5.123 1.00 0.00 H new ATOM 0 HE1 HIS X 118 12.666 -3.532 -1.962 1.00 0.00 H new ATOM 0 HE2 HIS X 118 11.062 -2.671 -3.722 1.00 0.00 H new ATOM 169 N ARG X 119 12.113 -10.552 -3.615 1.00 0.00 N ATOM 170 CA ARG X 119 11.647 -11.906 -3.849 1.00 0.00 C ATOM 171 C ARG X 119 10.138 -12.012 -3.792 1.00 0.00 C ATOM 172 O ARG X 119 9.561 -12.808 -4.508 1.00 0.00 O ATOM 173 CB ARG X 119 12.352 -12.888 -2.918 1.00 0.00 C ATOM 174 CG ARG X 119 12.164 -12.625 -1.435 1.00 0.00 C ATOM 175 CD ARG X 119 12.962 -13.646 -0.631 1.00 0.00 C ATOM 176 NE ARG X 119 14.393 -13.507 -0.894 1.00 0.00 N ATOM 177 CZ ARG X 119 15.335 -14.235 -0.327 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.024 -15.153 0.547 1.00 0.00 N ATOM 179 NH2 ARG X 119 16.585 -14.036 -0.641 1.00 0.00 N ATOM 0 H ARG X 119 12.639 -10.431 -2.749 1.00 0.00 H new ATOM 0 HA ARG X 119 11.916 -12.183 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG X 119 11.995 -13.894 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.419 -12.872 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.494 -11.615 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.107 -12.687 -1.175 1.00 0.00 H new ATOM 0 HD2 ARG X 119 12.768 -13.510 0.433 1.00 0.00 H new ATOM 0 HD3 ARG X 119 12.636 -14.654 -0.888 1.00 0.00 H new ATOM 0 HE ARG X 119 14.684 -12.796 -1.564 1.00 0.00 H new ATOM 0 HH11 ARG X 119 14.047 -15.311 0.795 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.758 -15.713 0.982 1.00 0.00 H new ATOM 0 HH21 ARG X 119 16.832 -13.319 -1.323 1.00 0.00 H new ATOM 0 HH22 ARG X 119 17.316 -14.597 -0.204 1.00 0.00 H new ATOM 193 N PHE X 120 9.521 -11.226 -2.909 1.00 0.00 N ATOM 194 CA PHE X 120 8.063 -11.231 -2.737 1.00 0.00 C ATOM 195 C PHE X 120 7.606 -12.638 -2.447 1.00 0.00 C ATOM 196 O PHE X 120 6.807 -13.211 -3.169 1.00 0.00 O ATOM 197 CB PHE X 120 7.315 -10.700 -3.960 1.00 0.00 C ATOM 198 CG PHE X 120 7.484 -9.239 -4.195 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.979 -8.332 -3.283 1.00 0.00 C ATOM 200 CD2 PHE X 120 8.104 -8.767 -5.337 1.00 0.00 C ATOM 201 CE1 PHE X 120 7.102 -6.987 -3.495 1.00 0.00 C ATOM 202 CE2 PHE X 120 8.217 -7.412 -5.560 1.00 0.00 C ATOM 203 CZ PHE X 120 7.720 -6.519 -4.635 1.00 0.00 C ATOM 0 H PHE X 120 10.010 -10.573 -2.297 1.00 0.00 H new ATOM 0 HA PHE X 120 7.833 -10.563 -1.907 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.657 -11.240 -4.843 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.253 -10.917 -3.844 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.482 -8.689 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.502 -9.465 -6.059 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.714 -6.289 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE X 120 8.694 -7.050 -6.459 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.814 -5.456 -4.803 1.00 0.00 H new ATOM 213 N VAL X 121 8.139 -13.215 -1.396 1.00 0.00 N ATOM 214 CA VAL X 121 7.751 -14.597 -1.071 1.00 0.00 C ATOM 215 C VAL X 121 6.321 -14.721 -0.557 1.00 0.00 C ATOM 216 O VAL X 121 6.003 -14.321 0.561 1.00 0.00 O ATOM 217 CB VAL X 121 8.752 -15.353 -0.162 1.00 0.00 C ATOM 218 CG1 VAL X 121 9.954 -15.780 -0.989 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.234 -14.501 1.002 1.00 0.00 C ATOM 0 H VAL X 121 8.815 -12.785 -0.765 1.00 0.00 H new ATOM 0 HA VAL X 121 7.790 -15.104 -2.035 1.00 0.00 H new ATOM 0 HB VAL X 121 8.232 -16.218 0.250 1.00 0.00 H new ATOM 0 HG11 VAL X 121 10.662 -16.313 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL X 121 9.626 -16.435 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.437 -14.899 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL X 121 9.933 -15.076 1.609 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.733 -13.611 0.619 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.382 -14.205 1.613 1.00 0.00 H new ATOM 229 N GLU X 122 5.455 -15.245 -1.413 1.00 0.00 N ATOM 230 CA GLU X 122 4.049 -15.426 -1.096 1.00 0.00 C ATOM 231 C GLU X 122 3.794 -16.216 0.183 1.00 0.00 C ATOM 232 O GLU X 122 4.552 -17.115 0.556 1.00 0.00 O ATOM 233 CB GLU X 122 3.323 -16.152 -2.240 1.00 0.00 C ATOM 234 CG GLU X 122 3.829 -17.572 -2.521 1.00 0.00 C ATOM 235 CD GLU X 122 3.043 -18.241 -3.629 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.929 -17.615 -4.700 1.00 0.00 O ATOM 237 OE2 GLU X 122 2.492 -19.333 -3.375 1.00 0.00 O ATOM 0 H GLU X 122 5.711 -15.557 -2.350 1.00 0.00 H new ATOM 0 HA GLU X 122 3.666 -14.416 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU X 122 2.260 -16.200 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU X 122 3.422 -15.559 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU X 122 4.883 -17.534 -2.795 1.00 0.00 H new ATOM 0 HG3 GLU X 122 3.757 -18.170 -1.612 1.00 0.00 H new ATOM 244 N LEU X 123 2.708 -15.879 0.858 1.00 0.00 N ATOM 245 CA LEU X 123 2.333 -16.580 2.069 1.00 0.00 C ATOM 246 C LEU X 123 1.213 -17.543 1.743 1.00 0.00 C ATOM 247 O LEU X 123 0.366 -17.283 0.891 1.00 0.00 O ATOM 248 CB LEU X 123 1.879 -15.635 3.160 1.00 0.00 C ATOM 249 CG LEU X 123 2.926 -14.693 3.739 1.00 0.00 C ATOM 250 CD1 LEU X 123 2.237 -14.073 4.890 1.00 0.00 C ATOM 251 CD2 LEU X 123 4.187 -15.395 4.203 1.00 0.00 C ATOM 0 H LEU X 123 2.074 -15.127 0.587 1.00 0.00 H new ATOM 0 HA LEU X 123 3.210 -17.110 2.440 1.00 0.00 H new ATOM 0 HB2 LEU X 123 1.061 -15.031 2.767 1.00 0.00 H new ATOM 0 HB3 LEU X 123 1.471 -16.231 3.976 1.00 0.00 H new ATOM 0 HG LEU X 123 3.270 -13.985 2.985 1.00 0.00 H new ATOM 0 HD11 LEU X 123 2.910 -13.371 5.382 1.00 0.00 H new ATOM 0 HD12 LEU X 123 1.351 -13.543 4.541 1.00 0.00 H new ATOM 0 HD13 LEU X 123 1.941 -14.848 5.597 1.00 0.00 H new ATOM 0 HD21 LEU X 123 4.886 -14.661 4.603 1.00 0.00 H new ATOM 0 HD22 LEU X 123 3.936 -16.118 4.979 1.00 0.00 H new ATOM 0 HD23 LEU X 123 4.647 -15.912 3.361 1.00 0.00 H new ATOM 263 N ALA X 124 1.199 -18.655 2.452 1.00 0.00 N ATOM 264 CA ALA X 124 0.184 -19.690 2.244 1.00 0.00 C ATOM 265 C ALA X 124 -1.087 -19.420 3.057 1.00 0.00 C ATOM 266 O ALA X 124 -1.608 -20.305 3.728 1.00 0.00 O ATOM 267 CB ALA X 124 0.767 -21.053 2.599 1.00 0.00 C ATOM 0 H ALA X 124 1.878 -18.873 3.181 1.00 0.00 H new ATOM 0 HA ALA X 124 -0.102 -19.677 1.192 1.00 0.00 H new ATOM 0 HB1 ALA X 124 0.012 -21.823 2.444 1.00 0.00 H new ATOM 0 HB2 ALA X 124 1.629 -21.257 1.963 1.00 0.00 H new ATOM 0 HB3 ALA X 124 1.078 -21.055 3.644 1.00 0.00 H new ATOM 273 N LEU X 125 -1.573 -18.190 2.993 1.00 0.00 N ATOM 274 CA LEU X 125 -2.770 -17.787 3.734 1.00 0.00 C ATOM 275 C LEU X 125 -3.995 -18.590 3.305 1.00 0.00 C ATOM 276 O LEU X 125 -4.740 -19.090 4.145 1.00 0.00 O ATOM 277 CB LEU X 125 -2.998 -16.290 3.531 1.00 0.00 C ATOM 278 CG LEU X 125 -1.867 -15.429 4.109 1.00 0.00 C ATOM 279 CD1 LEU X 125 -2.190 -14.007 3.907 1.00 0.00 C ATOM 280 CD2 LEU X 125 -1.656 -15.671 5.591 1.00 0.00 C ATOM 0 H LEU X 125 -1.157 -17.445 2.433 1.00 0.00 H new ATOM 0 HA LEU X 125 -2.615 -17.993 4.793 1.00 0.00 H new ATOM 0 HB2 LEU X 125 -3.096 -16.084 2.465 1.00 0.00 H new ATOM 0 HB3 LEU X 125 -3.940 -16.005 3.999 1.00 0.00 H new ATOM 0 HG LEU X 125 -0.950 -15.704 3.589 1.00 0.00 H new ATOM 0 HD11 LEU X 125 -1.390 -13.390 4.316 1.00 0.00 H new ATOM 0 HD12 LEU X 125 -2.295 -13.806 2.841 1.00 0.00 H new ATOM 0 HD13 LEU X 125 -3.125 -13.771 4.414 1.00 0.00 H new ATOM 0 HD21 LEU X 125 -0.845 -15.038 5.951 1.00 0.00 H new ATOM 0 HD22 LEU X 125 -2.571 -15.432 6.133 1.00 0.00 H new ATOM 0 HD23 LEU X 125 -1.400 -16.718 5.756 1.00 0.00 H new ATOM 292 N ARG X 126 -4.195 -18.699 1.994 1.00 0.00 N ATOM 293 CA ARG X 126 -5.304 -19.479 1.406 1.00 0.00 C ATOM 294 C ARG X 126 -6.656 -18.946 1.944 1.00 0.00 C ATOM 295 O ARG X 126 -7.561 -19.694 2.275 1.00 0.00 O ATOM 296 CB ARG X 126 -5.065 -20.987 1.677 1.00 0.00 C ATOM 297 CG ARG X 126 -6.081 -21.991 1.072 1.00 0.00 C ATOM 298 CD ARG X 126 -5.741 -23.406 1.501 1.00 0.00 C ATOM 299 NE ARG X 126 -5.918 -23.565 2.945 1.00 0.00 N ATOM 300 CZ ARG X 126 -5.663 -24.678 3.605 1.00 0.00 C ATOM 301 NH1 ARG X 126 -5.234 -25.735 2.970 1.00 0.00 N ATOM 302 NH2 ARG X 126 -5.839 -24.728 4.897 1.00 0.00 N ATOM 0 H ARG X 126 -3.597 -18.251 1.300 1.00 0.00 H new ATOM 0 HA ARG X 126 -5.342 -19.360 0.323 1.00 0.00 H new ATOM 0 HB2 ARG X 126 -4.074 -21.244 1.302 1.00 0.00 H new ATOM 0 HB3 ARG X 126 -5.046 -21.136 2.757 1.00 0.00 H new ATOM 0 HG2 ARG X 126 -7.090 -21.738 1.397 1.00 0.00 H new ATOM 0 HG3 ARG X 126 -6.069 -21.920 -0.016 1.00 0.00 H new ATOM 0 HD2 ARG X 126 -6.377 -24.115 0.971 1.00 0.00 H new ATOM 0 HD3 ARG X 126 -4.711 -23.637 1.228 1.00 0.00 H new ATOM 0 HE ARG X 126 -6.261 -22.764 3.475 1.00 0.00 H new ATOM 0 HH11 ARG X 126 -5.095 -25.702 1.960 1.00 0.00 H new ATOM 0 HH12 ARG X 126 -5.038 -26.594 3.484 1.00 0.00 H new ATOM 0 HH21 ARG X 126 -6.174 -23.905 5.398 1.00 0.00 H new ATOM 0 HH22 ARG X 126 -5.641 -25.590 5.406 1.00 0.00 H new ATOM 316 N GLY X 127 -6.770 -17.632 2.053 1.00 0.00 N ATOM 317 CA GLY X 127 -7.995 -17.024 2.556 1.00 0.00 C ATOM 318 C GLY X 127 -8.006 -16.721 4.043 1.00 0.00 C ATOM 319 O GLY X 127 -8.941 -16.096 4.530 1.00 0.00 O ATOM 0 H GLY X 127 -6.036 -16.969 1.803 1.00 0.00 H new ATOM 0 HA2 GLY X 127 -8.171 -16.096 2.012 1.00 0.00 H new ATOM 0 HA3 GLY X 127 -8.830 -17.688 2.331 1.00 0.00 H new ATOM 323 N GLY X 128 -6.982 -17.139 4.772 1.00 0.00 N ATOM 324 CA GLY X 128 -6.941 -16.846 6.198 1.00 0.00 C ATOM 325 C GLY X 128 -6.380 -15.449 6.386 1.00 0.00 C ATOM 326 O GLY X 128 -5.727 -14.943 5.472 1.00 0.00 O ATOM 0 H GLY X 128 -6.187 -17.668 4.413 1.00 0.00 H new ATOM 0 HA2 GLY X 128 -7.940 -16.914 6.628 1.00 0.00 H new ATOM 0 HA3 GLY X 128 -6.321 -17.576 6.717 1.00 0.00 H new ATOM 330 N PRO X 129 -6.580 -14.801 7.544 1.00 0.00 N ATOM 331 CA PRO X 129 -6.011 -13.457 7.623 1.00 0.00 C ATOM 332 C PRO X 129 -4.499 -13.366 7.610 1.00 0.00 C ATOM 333 O PRO X 129 -3.781 -14.230 8.107 1.00 0.00 O ATOM 334 CB PRO X 129 -6.468 -12.981 9.007 1.00 0.00 C ATOM 335 CG PRO X 129 -7.680 -13.693 9.257 1.00 0.00 C ATOM 336 CD PRO X 129 -7.350 -15.097 8.761 1.00 0.00 C ATOM 0 HA PRO X 129 -6.333 -12.887 6.751 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -5.718 -13.198 9.767 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -6.633 -11.904 9.020 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -7.942 -13.688 10.315 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -8.523 -13.260 8.718 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -6.768 -15.663 9.488 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -8.247 -15.679 8.548 1.00 0.00 H new ATOM 344 N GLY X 130 -4.041 -12.260 7.069 1.00 0.00 N ATOM 345 CA GLY X 130 -2.638 -11.936 6.993 1.00 0.00 C ATOM 346 C GLY X 130 -2.877 -10.469 6.814 1.00 0.00 C ATOM 347 O GLY X 130 -4.012 -10.137 6.506 1.00 0.00 O ATOM 0 H GLY X 130 -4.647 -11.548 6.662 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.077 -12.186 7.894 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.121 -12.405 6.156 1.00 0.00 H new ATOM 351 N TRP X 131 -1.913 -9.594 7.006 1.00 0.00 N ATOM 352 CA TRP X 131 -2.169 -8.161 6.866 1.00 0.00 C ATOM 353 C TRP X 131 -1.199 -7.474 5.900 1.00 0.00 C ATOM 354 O TRP X 131 -0.007 -7.740 5.957 1.00 0.00 O ATOM 355 CB TRP X 131 -2.124 -7.584 8.282 1.00 0.00 C ATOM 356 CG TRP X 131 -3.309 -8.154 9.078 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.367 -9.339 9.766 1.00 0.00 C ATOM 358 CD2 TRP X 131 -4.607 -7.556 9.239 1.00 0.00 C ATOM 359 NE1 TRP X 131 -4.612 -9.524 10.308 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.395 -8.445 10.005 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.181 -6.361 8.811 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -6.720 -8.173 10.332 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.495 -6.079 9.145 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.255 -6.989 9.896 1.00 0.00 C ATOM 0 H TRP X 131 -0.954 -9.837 7.256 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.143 -7.982 6.412 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.183 -7.842 8.767 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.178 -6.496 8.250 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -2.544 -10.031 9.867 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -4.907 -10.336 10.850 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.606 -5.660 8.224 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.307 -8.871 10.910 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -6.940 -5.149 8.824 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.281 -6.752 10.135 1.00 0.00 H new ATOM 375 N CYS X 132 -1.705 -6.618 5.009 1.00 0.00 N ATOM 376 CA CYS X 132 -0.851 -5.893 4.068 1.00 0.00 C ATOM 377 C CYS X 132 -0.238 -4.850 4.972 1.00 0.00 C ATOM 378 O CYS X 132 -0.918 -3.889 5.309 1.00 0.00 O ATOM 379 CB CYS X 132 -1.681 -5.242 2.956 1.00 0.00 C ATOM 380 SG CYS X 132 -0.739 -4.324 1.713 1.00 0.00 S ATOM 0 H CYS X 132 -2.700 -6.411 4.920 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.126 -6.518 3.547 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.253 -6.020 2.451 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.401 -4.564 3.414 1.00 0.00 H new ATOM 385 N ASP X 133 1.023 -5.019 5.348 1.00 0.00 N ATOM 386 CA ASP X 133 1.685 -4.085 6.290 1.00 0.00 C ATOM 387 C ASP X 133 1.494 -2.662 5.790 1.00 0.00 C ATOM 388 O ASP X 133 1.235 -1.731 6.544 1.00 0.00 O ATOM 389 CB ASP X 133 3.174 -4.399 6.391 1.00 0.00 C ATOM 390 CG ASP X 133 3.451 -5.820 6.897 1.00 0.00 C ATOM 391 OD1 ASP X 133 2.624 -6.323 7.678 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.557 -6.340 6.600 1.00 0.00 O ATOM 0 H ASP X 133 1.616 -5.784 5.026 1.00 0.00 H new ATOM 0 HA ASP X 133 1.240 -4.195 7.279 1.00 0.00 H new ATOM 0 HB2 ASP X 133 3.634 -4.271 5.411 1.00 0.00 H new ATOM 0 HB3 ASP X 133 3.647 -3.681 7.061 1.00 0.00 H new ATOM 397 N LEU X 134 1.605 -2.539 4.484 1.00 0.00 N ATOM 398 CA LEU X 134 1.412 -1.297 3.767 1.00 0.00 C ATOM 399 C LEU X 134 0.003 -0.683 3.941 1.00 0.00 C ATOM 400 O LEU X 134 -0.132 0.496 4.257 1.00 0.00 O ATOM 401 CB LEU X 134 1.679 -1.609 2.297 1.00 0.00 C ATOM 402 CG LEU X 134 1.095 -0.701 1.223 1.00 0.00 C ATOM 403 CD1 LEU X 134 1.612 0.710 1.306 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.459 -1.305 -0.095 1.00 0.00 C ATOM 0 H LEU X 134 1.839 -3.323 3.875 1.00 0.00 H new ATOM 0 HA LEU X 134 2.092 -0.546 4.168 1.00 0.00 H new ATOM 0 HB2 LEU X 134 2.760 -1.628 2.157 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.315 -2.619 2.105 1.00 0.00 H new ATOM 0 HG LEU X 134 0.016 -0.631 1.358 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.161 1.310 0.516 1.00 0.00 H new ATOM 0 HD12 LEU X 134 1.355 1.135 2.276 1.00 0.00 H new ATOM 0 HD13 LEU X 134 2.695 0.708 1.186 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.061 -0.688 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.544 -1.361 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.038 -2.308 -0.164 1.00 0.00 H new ATOM 416 N CYS X 135 -1.036 -1.479 3.703 1.00 0.00 N ATOM 417 CA CYS X 135 -2.418 -0.988 3.791 1.00 0.00 C ATOM 418 C CYS X 135 -3.042 -0.989 5.189 1.00 0.00 C ATOM 419 O CYS X 135 -3.946 -0.210 5.497 1.00 0.00 O ATOM 420 CB CYS X 135 -3.318 -1.848 2.886 1.00 0.00 C ATOM 421 SG CYS X 135 -2.974 -1.682 1.156 1.00 0.00 S ATOM 0 H CYS X 135 -0.953 -2.463 3.448 1.00 0.00 H new ATOM 0 HA CYS X 135 -2.358 0.055 3.481 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -3.206 -2.895 3.169 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.359 -1.579 3.066 1.00 0.00 H new ATOM 426 N GLY X 136 -2.601 -1.920 6.012 1.00 0.00 N ATOM 427 CA GLY X 136 -3.150 -2.075 7.344 1.00 0.00 C ATOM 428 C GLY X 136 -4.424 -2.896 7.226 1.00 0.00 C ATOM 429 O GLY X 136 -5.137 -3.116 8.202 1.00 0.00 O ATOM 0 H GLY X 136 -1.861 -2.583 5.780 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.433 -2.573 7.997 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.362 -1.101 7.786 1.00 0.00 H new ATOM 433 N ARG X 137 -4.732 -3.317 6.001 1.00 0.00 N ATOM 434 CA ARG X 137 -5.927 -4.110 5.691 1.00 0.00 C ATOM 435 C ARG X 137 -5.541 -5.553 5.418 1.00 0.00 C ATOM 436 O ARG X 137 -4.490 -5.819 4.859 1.00 0.00 O ATOM 437 CB ARG X 137 -6.618 -3.555 4.445 1.00 0.00 C ATOM 438 CG ARG X 137 -6.917 -2.047 4.479 1.00 0.00 C ATOM 439 CD ARG X 137 -7.938 -1.655 5.529 1.00 0.00 C ATOM 440 NE ARG X 137 -7.414 -1.737 6.891 1.00 0.00 N ATOM 441 CZ ARG X 137 -8.090 -1.418 7.977 1.00 0.00 C ATOM 442 NH1 ARG X 137 -9.317 -0.983 7.888 1.00 0.00 N ATOM 443 NH2 ARG X 137 -7.528 -1.541 9.145 1.00 0.00 N ATOM 0 H ARG X 137 -4.155 -3.117 5.184 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.600 -4.059 6.547 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.992 -3.766 3.578 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.555 -4.092 4.299 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -5.990 -1.505 4.666 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -7.277 -1.734 3.499 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.277 -0.637 5.336 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -8.810 -2.304 5.441 1.00 0.00 H new ATOM 0 HE ARG X 137 -6.455 -2.065 7.010 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -9.759 -0.888 6.974 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -9.834 -0.738 8.733 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -6.570 -1.883 9.216 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -8.046 -1.296 9.989 1.00 0.00 H new ATOM 457 N GLU X 138 -6.390 -6.476 5.825 1.00 0.00 N ATOM 458 CA GLU X 138 -6.131 -7.902 5.635 1.00 0.00 C ATOM 459 C GLU X 138 -5.942 -8.367 4.183 1.00 0.00 C ATOM 460 O GLU X 138 -6.667 -7.965 3.269 1.00 0.00 O ATOM 461 CB GLU X 138 -7.215 -8.743 6.321 1.00 0.00 C ATOM 462 CG GLU X 138 -8.629 -8.519 5.798 1.00 0.00 C ATOM 463 CD GLU X 138 -9.654 -9.374 6.530 1.00 0.00 C ATOM 464 OE1 GLU X 138 -9.238 -10.138 7.429 1.00 0.00 O ATOM 465 OE2 GLU X 138 -10.851 -9.217 6.213 1.00 0.00 O ATOM 0 H GLU X 138 -7.272 -6.269 6.293 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.160 -8.061 6.104 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -6.963 -9.797 6.206 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -7.200 -8.527 7.389 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -8.892 -7.467 5.906 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -8.661 -8.748 4.733 1.00 0.00 H new ATOM 472 N VAL X 139 -4.962 -9.234 3.986 1.00 0.00 N ATOM 473 CA VAL X 139 -4.667 -9.810 2.684 1.00 0.00 C ATOM 474 C VAL X 139 -5.140 -11.263 2.649 1.00 0.00 C ATOM 475 O VAL X 139 -4.358 -12.181 2.741 1.00 0.00 O ATOM 476 CB VAL X 139 -3.114 -9.809 2.434 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.659 -8.478 2.104 1.00 0.00 C ATOM 478 CG2 VAL X 139 -2.340 -10.175 3.682 1.00 0.00 C ATOM 0 H VAL X 139 -4.345 -9.560 4.730 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.174 -9.218 1.922 1.00 0.00 H new ATOM 0 HB VAL X 139 -2.943 -10.529 1.633 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.582 -8.493 1.934 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.164 -8.134 1.201 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -2.887 -7.801 2.927 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -1.272 -10.162 3.465 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -2.559 -9.454 4.470 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -2.631 -11.172 4.011 1.00 0.00 H new ATOM 488 N LEU X 140 -6.431 -11.483 2.462 1.00 0.00 N ATOM 489 CA LEU X 140 -6.934 -12.860 2.375 1.00 0.00 C ATOM 490 C LEU X 140 -6.459 -13.530 1.075 1.00 0.00 C ATOM 491 O LEU X 140 -6.519 -14.746 0.904 1.00 0.00 O ATOM 492 CB LEU X 140 -8.461 -12.905 2.573 1.00 0.00 C ATOM 493 CG LEU X 140 -9.427 -12.156 1.640 1.00 0.00 C ATOM 494 CD1 LEU X 140 -9.389 -12.622 0.199 1.00 0.00 C ATOM 495 CD2 LEU X 140 -10.823 -12.350 2.180 1.00 0.00 C ATOM 0 H LEU X 140 -7.139 -10.755 2.369 1.00 0.00 H new ATOM 0 HA LEU X 140 -6.512 -13.447 3.191 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -8.750 -13.956 2.547 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -8.658 -12.545 3.583 1.00 0.00 H new ATOM 0 HG LEU X 140 -9.119 -11.110 1.625 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -10.100 -12.042 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -8.385 -12.482 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -9.655 -13.678 0.151 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -11.536 -11.830 1.540 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -11.061 -13.414 2.199 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -10.881 -11.947 3.191 1.00 0.00 H new ATOM 507 N ARG X 141 -5.993 -12.695 0.155 1.00 0.00 N ATOM 508 CA ARG X 141 -5.507 -13.140 -1.150 1.00 0.00 C ATOM 509 C ARG X 141 -4.033 -13.598 -0.999 1.00 0.00 C ATOM 510 O ARG X 141 -3.520 -13.676 0.105 1.00 0.00 O ATOM 511 CB ARG X 141 -5.754 -11.937 -2.111 1.00 0.00 C ATOM 512 CG ARG X 141 -5.371 -12.046 -3.597 1.00 0.00 C ATOM 513 CD ARG X 141 -5.844 -10.812 -4.347 1.00 0.00 C ATOM 514 NE ARG X 141 -5.472 -10.881 -5.760 1.00 0.00 N ATOM 515 CZ ARG X 141 -5.778 -9.959 -6.656 1.00 0.00 C ATOM 516 NH1 ARG X 141 -6.464 -8.904 -6.321 1.00 0.00 N ATOM 517 NH2 ARG X 141 -5.394 -10.102 -7.895 1.00 0.00 N ATOM 0 H ARG X 141 -5.940 -11.685 0.291 1.00 0.00 H new ATOM 0 HA ARG X 141 -6.018 -14.008 -1.566 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -6.817 -11.701 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -5.220 -11.080 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -4.290 -12.150 -3.696 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -5.818 -12.940 -4.032 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -6.926 -10.720 -4.257 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -5.410 -9.920 -3.896 1.00 0.00 H new ATOM 0 HE ARG X 141 -4.942 -11.694 -6.074 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -6.772 -8.781 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -6.693 -8.200 -7.023 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -4.858 -10.925 -8.171 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -5.630 -9.391 -8.587 1.00 0.00 H new ATOM 531 N GLN X 142 -3.376 -13.896 -2.109 1.00 0.00 N ATOM 532 CA GLN X 142 -1.975 -14.334 -2.163 1.00 0.00 C ATOM 533 C GLN X 142 -0.997 -13.221 -1.713 1.00 0.00 C ATOM 534 O GLN X 142 -0.401 -12.536 -2.537 1.00 0.00 O ATOM 535 CB GLN X 142 -1.705 -14.753 -3.616 1.00 0.00 C ATOM 536 CG GLN X 142 -0.307 -15.293 -3.961 1.00 0.00 C ATOM 537 CD GLN X 142 -0.215 -15.595 -5.453 1.00 0.00 C ATOM 538 OE1 GLN X 142 -1.028 -15.113 -6.235 1.00 0.00 O ATOM 539 NE2 GLN X 142 0.749 -16.373 -5.852 1.00 0.00 N ATOM 0 H GLN X 142 -3.810 -13.840 -3.030 1.00 0.00 H new ATOM 0 HA GLN X 142 -1.812 -15.163 -1.474 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -2.434 -15.517 -3.885 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -1.897 -13.890 -4.254 1.00 0.00 H new ATOM 0 HG2 GLN X 142 0.452 -14.562 -3.683 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -0.106 -16.197 -3.386 1.00 0.00 H new ATOM 0 HE21 GLN X 142 1.408 -16.757 -5.175 1.00 0.00 H new ATOM 0 HE22 GLN X 142 0.846 -16.599 -6.842 1.00 0.00 H new ATOM 548 N ALA X 143 -0.868 -13.017 -0.412 1.00 0.00 N ATOM 549 CA ALA X 143 0.034 -12.002 0.128 1.00 0.00 C ATOM 550 C ALA X 143 1.469 -12.252 -0.303 1.00 0.00 C ATOM 551 O ALA X 143 1.956 -13.357 -0.183 1.00 0.00 O ATOM 552 CB ALA X 143 -0.034 -11.969 1.592 1.00 0.00 C ATOM 0 H ALA X 143 -1.379 -13.543 0.297 1.00 0.00 H new ATOM 0 HA ALA X 143 -0.289 -11.040 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA X 143 0.646 -11.206 1.971 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -1.052 -11.735 1.904 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.253 -12.942 1.992 1.00 0.00 H new ATOM 558 N LEU X 144 2.126 -11.221 -0.800 1.00 0.00 N ATOM 559 CA LEU X 144 3.517 -11.300 -1.273 1.00 0.00 C ATOM 560 C LEU X 144 4.457 -10.573 -0.342 1.00 0.00 C ATOM 561 O LEU X 144 4.337 -9.362 -0.155 1.00 0.00 O ATOM 562 CB LEU X 144 3.595 -10.663 -2.639 1.00 0.00 C ATOM 563 CG LEU X 144 2.925 -11.490 -3.748 1.00 0.00 C ATOM 564 CD1 LEU X 144 2.971 -10.737 -5.024 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.634 -12.791 -3.990 1.00 0.00 C ATOM 0 H LEU X 144 1.716 -10.292 -0.892 1.00 0.00 H new ATOM 0 HA LEU X 144 3.814 -12.348 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.126 -9.680 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.642 -10.507 -2.898 1.00 0.00 H new ATOM 0 HG LEU X 144 1.904 -11.685 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU X 144 2.496 -11.324 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU X 144 2.442 -9.791 -4.907 1.00 0.00 H new ATOM 0 HD13 LEU X 144 4.009 -10.542 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.125 -13.341 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.664 -12.594 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU X 144 3.629 -13.384 -3.075 1.00 0.00 H new ATOM 577 N ARG X 145 5.388 -11.295 0.266 1.00 0.00 N ATOM 578 CA ARG X 145 6.285 -10.668 1.228 1.00 0.00 C ATOM 579 C ARG X 145 7.719 -10.534 0.823 1.00 0.00 C ATOM 580 O ARG X 145 8.440 -11.522 0.819 1.00 0.00 O ATOM 581 CB ARG X 145 6.235 -11.464 2.535 1.00 0.00 C ATOM 582 CG ARG X 145 7.100 -10.853 3.642 1.00 0.00 C ATOM 583 CD ARG X 145 6.997 -11.624 4.932 1.00 0.00 C ATOM 584 NE ARG X 145 7.810 -10.985 5.967 1.00 0.00 N ATOM 585 CZ ARG X 145 7.912 -11.425 7.205 1.00 0.00 C ATOM 586 NH1 ARG X 145 7.271 -12.501 7.573 1.00 0.00 N ATOM 587 NH2 ARG X 145 8.653 -10.786 8.069 1.00 0.00 N ATOM 0 H ARG X 145 5.541 -12.292 0.116 1.00 0.00 H new ATOM 0 HA ARG X 145 5.917 -9.646 1.320 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.202 -11.522 2.879 1.00 0.00 H new ATOM 0 HB3 ARG X 145 6.566 -12.485 2.345 1.00 0.00 H new ATOM 0 HG2 ARG X 145 8.140 -10.828 3.317 1.00 0.00 H new ATOM 0 HG3 ARG X 145 6.795 -9.821 3.812 1.00 0.00 H new ATOM 0 HD2 ARG X 145 5.957 -11.672 5.254 1.00 0.00 H new ATOM 0 HD3 ARG X 145 7.331 -12.650 4.779 1.00 0.00 H new ATOM 0 HE ARG X 145 8.331 -10.145 5.714 1.00 0.00 H new ATOM 0 HH11 ARG X 145 6.690 -13.003 6.902 1.00 0.00 H new ATOM 0 HH12 ARG X 145 7.351 -12.840 8.532 1.00 0.00 H new ATOM 0 HH21 ARG X 145 9.155 -9.944 7.787 1.00 0.00 H new ATOM 0 HH22 ARG X 145 8.730 -11.129 9.027 1.00 0.00 H new ATOM 601 N CYS X 146 8.184 -9.342 0.499 1.00 0.00 N ATOM 602 CA CYS X 146 9.599 -9.236 0.186 1.00 0.00 C ATOM 603 C CYS X 146 10.342 -9.233 1.533 1.00 0.00 C ATOM 604 O CYS X 146 10.584 -8.197 2.154 1.00 0.00 O ATOM 605 CB CYS X 146 9.916 -8.042 -0.673 1.00 0.00 C ATOM 606 SG CYS X 146 11.722 -7.745 -0.760 1.00 0.00 S ATOM 0 H CYS X 146 7.642 -8.479 0.446 1.00 0.00 H new ATOM 0 HA CYS X 146 9.926 -10.080 -0.421 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.522 -8.199 -1.677 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.419 -7.159 -0.270 1.00 0.00 H new ATOM 611 N ALA X 147 10.651 -10.436 1.983 1.00 0.00 N ATOM 612 CA ALA X 147 11.322 -10.667 3.254 1.00 0.00 C ATOM 613 C ALA X 147 12.693 -10.003 3.327 1.00 0.00 C ATOM 614 O ALA X 147 13.230 -9.809 4.408 1.00 0.00 O ATOM 615 CB ALA X 147 11.455 -12.164 3.486 1.00 0.00 C ATOM 0 H ALA X 147 10.441 -11.293 1.471 1.00 0.00 H new ATOM 0 HA ALA X 147 10.712 -10.214 4.035 1.00 0.00 H new ATOM 0 HB1 ALA X 147 11.957 -12.342 4.437 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.464 -12.618 3.508 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.039 -12.607 2.679 1.00 0.00 H new ATOM 621 N ASN X 148 13.258 -9.674 2.174 1.00 0.00 N ATOM 622 CA ASN X 148 14.562 -9.023 2.133 1.00 0.00 C ATOM 623 C ASN X 148 14.614 -7.645 2.728 1.00 0.00 C ATOM 624 O ASN X 148 15.690 -7.202 3.116 1.00 0.00 O ATOM 625 CB ASN X 148 15.118 -8.928 0.706 1.00 0.00 C ATOM 626 CG ASN X 148 15.428 -10.257 0.106 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.252 -11.299 0.719 1.00 0.00 O ATOM 628 ND2 ASN X 148 15.891 -10.235 -1.108 1.00 0.00 N ATOM 0 H ASN X 148 12.839 -9.845 1.260 1.00 0.00 H new ATOM 0 HA ASN X 148 15.173 -9.678 2.754 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.395 -8.412 0.075 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.023 -8.321 0.716 1.00 0.00 H new ATOM 0 HD21 ASN X 148 16.121 -11.108 -1.582 1.00 0.00 H new ATOM 0 HD22 ASN X 148 16.024 -9.344 -1.587 1.00 0.00 H new ATOM 635 N CYS X 149 13.487 -6.956 2.802 1.00 0.00 N ATOM 636 CA CYS X 149 13.533 -5.607 3.317 1.00 0.00 C ATOM 637 C CYS X 149 12.203 -4.991 3.707 1.00 0.00 C ATOM 638 O CYS X 149 12.055 -4.366 4.760 1.00 0.00 O ATOM 639 CB CYS X 149 14.143 -4.763 2.179 1.00 0.00 C ATOM 640 SG CYS X 149 13.251 -4.916 0.602 1.00 0.00 S ATOM 0 H CYS X 149 12.566 -7.295 2.523 1.00 0.00 H new ATOM 0 HA CYS X 149 14.103 -5.629 4.246 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.154 -3.716 2.480 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.180 -5.063 2.031 1.00 0.00 H new ATOM 645 N LYS X 150 11.261 -5.129 2.806 1.00 0.00 N ATOM 646 CA LYS X 150 9.950 -4.543 2.960 1.00 0.00 C ATOM 647 C LYS X 150 8.895 -5.383 3.667 1.00 0.00 C ATOM 648 O LYS X 150 9.113 -5.847 4.777 1.00 0.00 O ATOM 649 CB LYS X 150 9.557 -3.960 1.604 1.00 0.00 C ATOM 650 CG LYS X 150 10.520 -2.803 1.293 1.00 0.00 C ATOM 651 CD LYS X 150 10.352 -2.205 -0.048 1.00 0.00 C ATOM 652 CE LYS X 150 11.399 -1.080 -0.195 1.00 0.00 C ATOM 653 NZ LYS X 150 11.404 -0.350 -1.497 1.00 0.00 N ATOM 0 H LYS X 150 11.382 -5.654 1.940 1.00 0.00 H new ATOM 0 HA LYS X 150 10.009 -3.742 3.697 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.615 -4.724 0.829 1.00 0.00 H new ATOM 0 HB3 LYS X 150 8.527 -3.604 1.625 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.385 -2.024 2.043 1.00 0.00 H new ATOM 0 HG3 LYS X 150 11.544 -3.164 1.389 1.00 0.00 H new ATOM 0 HD2 LYS X 150 10.490 -2.959 -0.823 1.00 0.00 H new ATOM 0 HD3 LYS X 150 9.344 -1.807 -0.166 1.00 0.00 H new ATOM 0 HE2 LYS X 150 11.238 -0.356 0.603 1.00 0.00 H new ATOM 0 HE3 LYS X 150 12.388 -1.510 -0.040 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 12.245 0.259 -1.550 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 11.423 -1.035 -2.279 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 10.547 0.235 -1.570 1.00 0.00 H new ATOM 667 N PHE X 151 7.735 -5.525 3.060 1.00 0.00 N ATOM 668 CA PHE X 151 6.628 -6.216 3.695 1.00 0.00 C ATOM 669 C PHE X 151 5.782 -7.221 2.944 1.00 0.00 C ATOM 670 O PHE X 151 5.962 -7.440 1.745 1.00 0.00 O ATOM 671 CB PHE X 151 5.686 -5.089 4.066 1.00 0.00 C ATOM 672 CG PHE X 151 5.603 -3.993 3.041 1.00 0.00 C ATOM 673 CD1 PHE X 151 4.881 -4.173 1.879 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.225 -2.774 3.257 1.00 0.00 C ATOM 675 CE1 PHE X 151 4.790 -3.163 0.942 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.136 -1.762 2.322 1.00 0.00 C ATOM 677 CZ PHE X 151 5.416 -1.955 1.165 1.00 0.00 C ATOM 0 H PHE X 151 7.532 -5.171 2.125 1.00 0.00 H new ATOM 0 HA PHE X 151 7.093 -6.835 4.462 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.689 -5.501 4.223 1.00 0.00 H new ATOM 0 HB3 PHE X 151 6.007 -4.660 5.015 1.00 0.00 H new ATOM 0 HD1 PHE X 151 4.382 -5.114 1.701 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.785 -2.614 4.166 1.00 0.00 H new ATOM 0 HE1 PHE X 151 4.228 -3.319 0.033 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.631 -0.819 2.499 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.342 -1.163 0.434 1.00 0.00 H new ATOM 687 N THR X 152 4.821 -7.794 3.669 1.00 0.00 N ATOM 688 CA THR X 152 3.861 -8.725 3.125 1.00 0.00 C ATOM 689 C THR X 152 2.646 -7.915 2.700 1.00 0.00 C ATOM 690 O THR X 152 1.803 -7.541 3.476 1.00 0.00 O ATOM 691 CB THR X 152 3.498 -9.770 4.183 1.00 0.00 C ATOM 692 OG1 THR X 152 2.352 -10.513 3.772 1.00 0.00 O ATOM 693 CG2 THR X 152 3.262 -9.173 5.541 1.00 0.00 C ATOM 0 H THR X 152 4.695 -7.614 4.665 1.00 0.00 H new ATOM 0 HA THR X 152 4.265 -9.263 2.267 1.00 0.00 H new ATOM 0 HB THR X 152 4.358 -10.434 4.272 1.00 0.00 H new ATOM 0 HG1 THR X 152 2.131 -11.179 4.456 1.00 0.00 H new ATOM 0 HG21 THR X 152 3.009 -9.964 6.247 1.00 0.00 H new ATOM 0 HG22 THR X 152 4.165 -8.663 5.876 1.00 0.00 H new ATOM 0 HG23 THR X 152 2.441 -8.458 5.487 1.00 0.00 H new ATOM 701 N CYS X 153 2.581 -7.651 1.420 1.00 0.00 N ATOM 702 CA CYS X 153 1.509 -6.839 0.853 1.00 0.00 C ATOM 703 C CYS X 153 0.492 -7.602 0.026 1.00 0.00 C ATOM 704 O CYS X 153 0.708 -8.764 -0.320 1.00 0.00 O ATOM 705 CB CYS X 153 2.174 -5.813 -0.072 1.00 0.00 C ATOM 706 SG CYS X 153 3.182 -6.549 -1.388 1.00 0.00 S ATOM 0 H CYS X 153 3.260 -7.986 0.736 1.00 0.00 H new ATOM 0 HA CYS X 153 0.960 -6.409 1.691 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.401 -5.193 -0.525 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.802 -5.153 0.526 1.00 0.00 H new ATOM 0 HG CYS X 153 3.559 -7.741 -1.031 1.00 0.00 H new ATOM 712 N HIS X 154 -0.605 -6.948 -0.333 1.00 0.00 N ATOM 713 CA HIS X 154 -1.580 -7.606 -1.220 1.00 0.00 C ATOM 714 C HIS X 154 -0.796 -7.834 -2.519 1.00 0.00 C ATOM 715 O HIS X 154 0.100 -7.043 -2.859 1.00 0.00 O ATOM 716 CB HIS X 154 -2.842 -6.786 -1.583 1.00 0.00 C ATOM 717 CG HIS X 154 -3.727 -6.423 -0.428 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.491 -5.337 0.417 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.878 -7.036 0.015 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.501 -5.360 1.341 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.333 -6.365 1.111 1.00 0.00 N ATOM 0 H HIS X 154 -0.845 -6.000 -0.043 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.962 -8.490 -0.709 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.528 -5.868 -2.081 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.429 -7.355 -2.304 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.342 -7.903 -0.431 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.606 -4.653 2.150 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.164 -6.595 1.656 1.00 0.00 H new ATOM 729 N SER X 155 -1.128 -8.885 -3.257 1.00 0.00 N ATOM 730 CA SER X 155 -0.428 -9.153 -4.513 1.00 0.00 C ATOM 731 C SER X 155 -0.502 -7.894 -5.378 1.00 0.00 C ATOM 732 O SER X 155 0.496 -7.400 -5.873 1.00 0.00 O ATOM 733 CB SER X 155 -1.020 -10.382 -5.227 1.00 0.00 C ATOM 734 OG SER X 155 -2.400 -10.230 -5.551 1.00 0.00 O ATOM 0 H SER X 155 -1.860 -9.554 -3.018 1.00 0.00 H new ATOM 0 HA SER X 155 0.617 -9.392 -4.317 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.457 -10.570 -6.141 1.00 0.00 H new ATOM 0 HB3 SER X 155 -0.897 -11.259 -4.591 1.00 0.00 H new ATOM 0 HG SER X 155 -2.795 -9.536 -4.983 1.00 0.00 H new ATOM 740 N GLU X 156 -1.697 -7.356 -5.511 1.00 0.00 N ATOM 741 CA GLU X 156 -1.941 -6.143 -6.261 1.00 0.00 C ATOM 742 C GLU X 156 -1.182 -4.936 -5.685 1.00 0.00 C ATOM 743 O GLU X 156 -0.693 -4.093 -6.437 1.00 0.00 O ATOM 744 CB GLU X 156 -3.465 -5.903 -6.360 1.00 0.00 C ATOM 745 CG GLU X 156 -4.255 -5.789 -5.020 1.00 0.00 C ATOM 746 CD GLU X 156 -4.770 -7.150 -4.487 1.00 0.00 C ATOM 747 OE1 GLU X 156 -4.013 -8.153 -4.545 1.00 0.00 O ATOM 748 OE2 GLU X 156 -5.921 -7.186 -4.009 1.00 0.00 O ATOM 0 H GLU X 156 -2.538 -7.756 -5.095 1.00 0.00 H new ATOM 0 HA GLU X 156 -1.547 -6.267 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -3.627 -4.986 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.899 -6.718 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -3.613 -5.333 -4.267 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -5.103 -5.120 -5.164 1.00 0.00 H new ATOM 755 N CYS X 157 -1.049 -4.871 -4.365 1.00 0.00 N ATOM 756 CA CYS X 157 -0.337 -3.784 -3.714 1.00 0.00 C ATOM 757 C CYS X 157 1.171 -3.764 -3.968 1.00 0.00 C ATOM 758 O CYS X 157 1.785 -2.707 -3.808 1.00 0.00 O ATOM 759 CB CYS X 157 -0.595 -3.801 -2.202 1.00 0.00 C ATOM 760 SG CYS X 157 -2.259 -3.334 -1.768 1.00 0.00 S ATOM 0 H CYS X 157 -1.429 -5.566 -3.722 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.736 -2.876 -4.166 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.393 -4.800 -1.817 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.105 -3.123 -1.713 1.00 0.00 H new ATOM 765 N ARG X 158 1.801 -4.886 -4.332 1.00 0.00 N ATOM 766 CA ARG X 158 3.273 -4.813 -4.551 1.00 0.00 C ATOM 767 C ARG X 158 3.611 -3.785 -5.624 1.00 0.00 C ATOM 768 O ARG X 158 4.703 -3.239 -5.639 1.00 0.00 O ATOM 769 CB ARG X 158 3.982 -6.120 -4.927 1.00 0.00 C ATOM 770 CG ARG X 158 3.708 -6.710 -6.296 1.00 0.00 C ATOM 771 CD ARG X 158 4.563 -7.951 -6.457 1.00 0.00 C ATOM 772 NE ARG X 158 4.343 -8.633 -7.731 1.00 0.00 N ATOM 773 CZ ARG X 158 4.985 -9.730 -8.094 1.00 0.00 C ATOM 774 NH1 ARG X 158 5.878 -10.260 -7.314 1.00 0.00 N ATOM 775 NH2 ARG X 158 4.745 -10.299 -9.238 1.00 0.00 N ATOM 0 H ARG X 158 1.367 -5.798 -4.476 1.00 0.00 H new ATOM 0 HA ARG X 158 3.646 -4.535 -3.565 1.00 0.00 H new ATOM 0 HB2 ARG X 158 5.056 -5.953 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG X 158 3.718 -6.870 -4.181 1.00 0.00 H new ATOM 0 HG2 ARG X 158 2.652 -6.960 -6.398 1.00 0.00 H new ATOM 0 HG3 ARG X 158 3.940 -5.985 -7.076 1.00 0.00 H new ATOM 0 HD2 ARG X 158 5.614 -7.675 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG X 158 4.351 -8.641 -5.640 1.00 0.00 H new ATOM 0 HE ARG X 158 3.656 -8.241 -8.375 1.00 0.00 H new ATOM 0 HH11 ARG X 158 6.089 -9.830 -6.414 1.00 0.00 H new ATOM 0 HH12 ARG X 158 6.369 -11.107 -7.602 1.00 0.00 H new ATOM 0 HH21 ARG X 158 4.052 -9.899 -9.871 1.00 0.00 H new ATOM 0 HH22 ARG X 158 5.249 -11.145 -9.503 1.00 0.00 H new ATOM 789 N SER X 159 2.675 -3.551 -6.534 1.00 0.00 N ATOM 790 CA SER X 159 2.873 -2.597 -7.628 1.00 0.00 C ATOM 791 C SER X 159 3.269 -1.217 -7.107 1.00 0.00 C ATOM 792 O SER X 159 4.091 -0.531 -7.704 1.00 0.00 O ATOM 793 CB SER X 159 1.596 -2.470 -8.465 1.00 0.00 C ATOM 794 OG SER X 159 0.506 -2.001 -7.686 1.00 0.00 O ATOM 0 H SER X 159 1.764 -4.010 -6.540 1.00 0.00 H new ATOM 0 HA SER X 159 3.684 -2.980 -8.247 1.00 0.00 H new ATOM 0 HB2 SER X 159 1.771 -1.786 -9.296 1.00 0.00 H new ATOM 0 HB3 SER X 159 1.345 -3.439 -8.897 1.00 0.00 H new ATOM 0 HG SER X 159 0.084 -2.756 -7.225 1.00 0.00 H new ATOM 800 N LEU X 160 2.662 -0.809 -6.002 1.00 0.00 N ATOM 801 CA LEU X 160 2.926 0.491 -5.391 1.00 0.00 C ATOM 802 C LEU X 160 4.348 0.659 -4.843 1.00 0.00 C ATOM 803 O LEU X 160 4.737 1.760 -4.452 1.00 0.00 O ATOM 804 CB LEU X 160 1.932 0.704 -4.242 1.00 0.00 C ATOM 805 CG LEU X 160 0.446 0.652 -4.624 1.00 0.00 C ATOM 806 CD1 LEU X 160 -0.384 0.971 -3.408 1.00 0.00 C ATOM 807 CD2 LEU X 160 0.120 1.635 -5.726 1.00 0.00 C ATOM 0 H LEU X 160 1.972 -1.368 -5.501 1.00 0.00 H new ATOM 0 HA LEU X 160 2.812 1.230 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU X 160 2.118 -0.053 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU X 160 2.136 1.672 -3.785 1.00 0.00 H new ATOM 0 HG LEU X 160 0.221 -0.350 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -1.441 0.936 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU X 160 -0.180 0.240 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU X 160 -0.132 1.968 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -0.940 1.570 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU X 160 0.354 2.646 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU X 160 0.711 1.399 -6.611 1.00 0.00 H new ATOM 819 N ILE X 161 5.136 -0.410 -4.802 1.00 0.00 N ATOM 820 CA ILE X 161 6.502 -0.288 -4.299 1.00 0.00 C ATOM 821 C ILE X 161 7.367 0.226 -5.453 1.00 0.00 C ATOM 822 O ILE X 161 7.773 -0.522 -6.332 1.00 0.00 O ATOM 823 CB ILE X 161 7.046 -1.646 -3.787 1.00 0.00 C ATOM 824 CG1 ILE X 161 6.123 -2.200 -2.685 1.00 0.00 C ATOM 825 CG2 ILE X 161 8.452 -1.447 -3.219 1.00 0.00 C ATOM 826 CD1 ILE X 161 6.638 -3.471 -2.031 1.00 0.00 C ATOM 0 H ILE X 161 4.864 -1.346 -5.101 1.00 0.00 H new ATOM 0 HA ILE X 161 6.523 0.399 -3.453 1.00 0.00 H new ATOM 0 HB ILE X 161 7.080 -2.354 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE X 161 5.990 -1.437 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE X 161 5.140 -2.396 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE X 161 8.837 -2.401 -2.858 1.00 0.00 H new ATOM 0 HG22 ILE X 161 9.109 -1.063 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE X 161 8.414 -0.736 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE X 161 5.933 -3.798 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE X 161 6.744 -4.251 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE X 161 7.607 -3.277 -1.572 1.00 0.00 H new ATOM 838 N GLN X 162 7.652 1.518 -5.428 1.00 0.00 N ATOM 839 CA GLN X 162 8.454 2.158 -6.474 1.00 0.00 C ATOM 840 C GLN X 162 9.932 1.755 -6.567 1.00 0.00 C ATOM 841 O GLN X 162 10.500 1.752 -7.652 1.00 0.00 O ATOM 842 CB GLN X 162 8.368 3.675 -6.312 1.00 0.00 C ATOM 843 CG GLN X 162 6.973 4.232 -6.562 1.00 0.00 C ATOM 844 CD GLN X 162 6.925 5.734 -6.408 1.00 0.00 C ATOM 845 OE1 GLN X 162 7.263 6.272 -5.367 1.00 0.00 O ATOM 846 NE2 GLN X 162 6.513 6.416 -7.447 1.00 0.00 N ATOM 0 H GLN X 162 7.341 2.153 -4.693 1.00 0.00 H new ATOM 0 HA GLN X 162 8.014 1.799 -7.404 1.00 0.00 H new ATOM 0 HB2 GLN X 162 8.683 3.944 -5.304 1.00 0.00 H new ATOM 0 HB3 GLN X 162 9.068 4.147 -7.001 1.00 0.00 H new ATOM 0 HG2 GLN X 162 6.649 3.960 -7.567 1.00 0.00 H new ATOM 0 HG3 GLN X 162 6.270 3.774 -5.866 1.00 0.00 H new ATOM 0 HE21 GLN X 162 6.239 5.929 -8.300 1.00 0.00 H new ATOM 0 HE22 GLN X 162 6.466 7.434 -7.403 1.00 0.00 H new ATOM 855 N LEU X 163 10.563 1.445 -5.437 1.00 0.00 N ATOM 856 CA LEU X 163 11.994 1.088 -5.434 1.00 0.00 C ATOM 857 C LEU X 163 12.349 -0.297 -4.882 1.00 0.00 C ATOM 858 O LEU X 163 11.559 -0.949 -4.207 1.00 0.00 O ATOM 859 CB LEU X 163 12.793 2.131 -4.617 1.00 0.00 C ATOM 860 CG LEU X 163 13.140 3.498 -5.236 1.00 0.00 C ATOM 861 CD1 LEU X 163 11.946 4.351 -5.600 1.00 0.00 C ATOM 862 CD2 LEU X 163 13.983 4.251 -4.234 1.00 0.00 C ATOM 0 H LEU X 163 10.120 1.431 -4.518 1.00 0.00 H new ATOM 0 HA LEU X 163 12.259 1.073 -6.491 1.00 0.00 H new ATOM 0 HB2 LEU X 163 12.233 2.323 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU X 163 13.732 1.661 -4.323 1.00 0.00 H new ATOM 0 HG LEU X 163 13.659 3.299 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU X 163 12.289 5.293 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU X 163 11.331 3.824 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU X 163 11.356 4.552 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU X 163 14.247 5.227 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU X 163 13.419 4.384 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU X 163 14.892 3.686 -4.026 1.00 0.00 H new ATOM 874 N ASP X 164 13.576 -0.691 -5.183 1.00 0.00 N ATOM 875 CA ASP X 164 14.228 -1.946 -4.771 1.00 0.00 C ATOM 876 C ASP X 164 14.527 -2.164 -3.300 1.00 0.00 C ATOM 877 O ASP X 164 14.138 -1.372 -2.428 1.00 0.00 O ATOM 878 CB ASP X 164 15.464 -2.196 -5.655 1.00 0.00 C ATOM 879 CG ASP X 164 16.543 -1.127 -5.492 1.00 0.00 C ATOM 880 OD1 ASP X 164 16.325 -0.187 -4.700 1.00 0.00 O ATOM 881 OD2 ASP X 164 17.460 -1.155 -6.336 1.00 0.00 O ATOM 0 H ASP X 164 14.191 -0.114 -5.757 1.00 0.00 H new ATOM 0 HA ASP X 164 13.458 -2.701 -4.931 1.00 0.00 H new ATOM 0 HB2 ASP X 164 15.887 -3.171 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP X 164 15.154 -2.235 -6.699 1.00 0.00 H new ATOM 886 N CYS X 165 15.128 -3.320 -3.029 1.00 0.00 N ATOM 887 CA CYS X 165 15.470 -3.710 -1.689 1.00 0.00 C ATOM 888 C CYS X 165 16.333 -2.657 -0.999 1.00 0.00 C ATOM 889 O CYS X 165 17.401 -2.268 -1.456 1.00 0.00 O ATOM 890 CB CYS X 165 16.157 -5.084 -1.679 1.00 0.00 C ATOM 891 SG CYS X 165 15.156 -6.485 -2.145 1.00 0.00 S ATOM 0 H CYS X 165 15.386 -4.003 -3.741 1.00 0.00 H new ATOM 0 HA CYS X 165 14.543 -3.790 -1.122 1.00 0.00 H new ATOM 0 HB2 CYS X 165 17.014 -5.040 -2.351 1.00 0.00 H new ATOM 0 HB3 CYS X 165 16.546 -5.262 -0.677 1.00 0.00 H new ATOM 896 N ARG X 166 15.789 -2.228 0.123 1.00 0.00 N ATOM 897 CA ARG X 166 16.415 -1.222 1.001 1.00 0.00 C ATOM 898 C ARG X 166 17.826 -1.637 1.404 1.00 0.00 C ATOM 899 O ARG X 166 17.896 -2.718 2.026 1.00 0.00 O ATOM 900 CB ARG X 166 15.646 -1.061 2.310 1.00 0.00 C ATOM 901 CG ARG X 166 14.219 -0.604 2.211 1.00 0.00 C ATOM 902 CD ARG X 166 13.639 -0.419 3.628 1.00 0.00 C ATOM 903 NE ARG X 166 13.594 -1.672 4.398 1.00 0.00 N ATOM 904 CZ ARG X 166 14.519 -2.051 5.271 1.00 0.00 C ATOM 905 NH1 ARG X 166 15.561 -1.305 5.518 1.00 0.00 N ATOM 906 NH2 ARG X 166 14.393 -3.185 5.895 1.00 0.00 N ATOM 907 OXT ARG X 166 18.628 -0.690 1.501 1.00 0.00 O ATOM 0 H ARG X 166 14.889 -2.564 0.467 1.00 0.00 H new ATOM 0 HA ARG X 166 16.418 -0.296 0.427 1.00 0.00 H new ATOM 0 HB2 ARG X 166 15.660 -2.018 2.831 1.00 0.00 H new ATOM 0 HB3 ARG X 166 16.187 -0.350 2.935 1.00 0.00 H new ATOM 0 HG2 ARG X 166 14.164 0.334 1.659 1.00 0.00 H new ATOM 0 HG3 ARG X 166 13.629 -1.335 1.658 1.00 0.00 H new ATOM 0 HD2 ARG X 166 14.241 0.312 4.168 1.00 0.00 H new ATOM 0 HD3 ARG X 166 12.632 -0.009 3.552 1.00 0.00 H new ATOM 0 HE ARG X 166 12.797 -2.292 4.251 1.00 0.00 H new ATOM 0 HH11 ARG X 166 15.675 -0.413 5.037 1.00 0.00 H new ATOM 0 HH12 ARG X 166 16.261 -1.614 6.193 1.00 0.00 H new ATOM 0 HH21 ARG X 166 13.585 -3.780 5.713 1.00 0.00 H new ATOM 0 HH22 ARG X 166 15.102 -3.479 6.567 1.00 0.00 H new TER 921 ARG X 166 HETATM 922 ZN ZN X 1 -2.251 -3.518 0.373 1.00 0.00 ZN HETATM 923 ZN ZN X 2 13.333 -6.212 -1.109 1.00 0.00 ZN