USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 455 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 Set 1.1: A 8 CYS SG : rot -9:sc= -1.68! USER MOD Set 1.2: A 9 ASN : amide:sc= 0.83 K(o=-0.85,f=-1.6) USER MOD Single : A 18 ASN : amide:sc= -1.64 K(o=-1.6,f=-2.5!) USER MOD Single : A 20 SER OG : rot 7:sc= -1.85! USER MOD Single : A 23 LYS NZ :NH3+ -144:sc= -0.285 (180deg=-1.81!) USER MOD Single : A 35 LYS NZ :NH3+ -126:sc= 0.246 (180deg=-0.931!) USER MOD Single : A 38 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 39 MET CE :methyl -162:sc= -0.0483 (180deg=-0.139) USER MOD Single : A 46 THR OG1 : rot -110:sc= -2.4! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -124:sc= 0.611 USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.12) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLU A 4 -7.356 -13.580 -1.579 1.00 0.00 N ATOM 51 CA GLU A 4 -7.724 -12.480 -0.699 1.00 0.00 C ATOM 52 C GLU A 4 -6.496 -11.812 -0.118 1.00 0.00 C ATOM 53 O GLU A 4 -5.895 -12.295 0.844 1.00 0.00 O ATOM 54 CB GLU A 4 -8.632 -12.967 0.418 1.00 0.00 C ATOM 55 CG GLU A 4 -10.005 -13.364 -0.071 1.00 0.00 C ATOM 56 CD GLU A 4 -10.824 -14.032 1.008 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.720 -15.267 1.166 1.00 0.00 O ATOM 58 OE2 GLU A 4 -11.565 -13.322 1.717 1.00 0.00 O ATOM 0 HA GLU A 4 -8.264 -11.745 -1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.167 -13.820 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.732 -12.181 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.531 -12.479 -0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.905 -14.040 -0.920 1.00 0.00 H new ATOM 65 N VAL A 5 -6.131 -10.703 -0.720 1.00 0.00 N ATOM 66 CA VAL A 5 -4.967 -9.953 -0.297 1.00 0.00 C ATOM 67 C VAL A 5 -5.318 -9.069 0.889 1.00 0.00 C ATOM 68 O VAL A 5 -6.291 -8.314 0.846 1.00 0.00 O ATOM 69 CB VAL A 5 -4.405 -9.074 -1.429 1.00 0.00 C ATOM 70 CG1 VAL A 5 -2.966 -8.703 -1.139 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.513 -9.776 -2.772 1.00 0.00 C ATOM 0 H VAL A 5 -6.628 -10.296 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.203 -10.677 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.000 -8.162 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.581 -8.081 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.915 -8.151 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.365 -9.609 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.109 -9.132 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.948 -10.708 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.560 -9.993 -2.986 1.00 0.00 H new ATOM 81 N ARG A 6 -4.536 -9.178 1.951 1.00 0.00 N ATOM 82 CA ARG A 6 -4.770 -8.394 3.152 1.00 0.00 C ATOM 83 C ARG A 6 -3.481 -7.703 3.579 1.00 0.00 C ATOM 84 O ARG A 6 -2.392 -8.107 3.169 1.00 0.00 O ATOM 85 CB ARG A 6 -5.294 -9.276 4.291 1.00 0.00 C ATOM 86 CG ARG A 6 -6.513 -10.091 3.929 1.00 0.00 C ATOM 87 CD ARG A 6 -6.311 -11.563 4.237 1.00 0.00 C ATOM 88 NE ARG A 6 -6.082 -11.806 5.666 1.00 0.00 N ATOM 89 CZ ARG A 6 -6.859 -12.586 6.425 1.00 0.00 C ATOM 90 NH1 ARG A 6 -7.929 -13.177 5.900 1.00 0.00 N ATOM 91 NH2 ARG A 6 -6.567 -12.776 7.710 1.00 0.00 N ATOM 0 H ARG A 6 -3.732 -9.803 2.005 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.527 -7.642 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.500 -9.952 4.608 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.534 -8.643 5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.377 -9.719 4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.733 -9.967 2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.187 -12.124 3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.462 -11.938 3.666 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.282 -11.353 6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.158 -13.036 4.916 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.520 -13.771 6.481 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.748 -12.326 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.162 -13.372 8.286 1.00 0.00 H new ATOM 105 N ASP A 7 -3.608 -6.664 4.391 1.00 0.00 N ATOM 106 CA ASP A 7 -2.445 -5.930 4.892 1.00 0.00 C ATOM 107 C ASP A 7 -1.730 -6.735 5.974 1.00 0.00 C ATOM 108 O ASP A 7 -2.066 -7.898 6.223 1.00 0.00 O ATOM 109 CB ASP A 7 -2.877 -4.565 5.451 1.00 0.00 C ATOM 110 CG ASP A 7 -3.339 -4.625 6.896 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.351 -5.292 7.177 1.00 0.00 O ATOM 112 OD2 ASP A 7 -2.679 -4.004 7.759 1.00 0.00 O ATOM 0 H ASP A 7 -4.505 -6.306 4.720 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.756 -5.770 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.043 -3.868 5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.684 -4.167 4.835 1.00 0.00 H new ATOM 117 N CYS A 8 -0.745 -6.111 6.610 1.00 0.00 N ATOM 118 CA CYS A 8 0.004 -6.736 7.692 1.00 0.00 C ATOM 119 C CYS A 8 -0.922 -7.237 8.805 1.00 0.00 C ATOM 120 O CYS A 8 -0.647 -8.253 9.442 1.00 0.00 O ATOM 121 CB CYS A 8 1.012 -5.740 8.261 1.00 0.00 C ATOM 122 SG CYS A 8 0.289 -4.149 8.726 1.00 0.00 S ATOM 0 H CYS A 8 -0.445 -5.161 6.391 1.00 0.00 H new ATOM 0 HA CYS A 8 0.529 -7.600 7.284 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.489 -6.181 9.136 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.796 -5.570 7.523 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.938 -4.089 8.300 1.00 0.00 H new ATOM 128 N ASN A 9 -2.020 -6.522 9.029 1.00 0.00 N ATOM 129 CA ASN A 9 -2.984 -6.886 10.049 1.00 0.00 C ATOM 130 C ASN A 9 -3.919 -7.969 9.540 1.00 0.00 C ATOM 131 O ASN A 9 -3.988 -9.069 10.094 1.00 0.00 O ATOM 132 CB ASN A 9 -3.795 -5.659 10.453 1.00 0.00 C ATOM 133 CG ASN A 9 -2.976 -4.631 11.206 1.00 0.00 C ATOM 134 OD1 ASN A 9 -2.872 -4.682 12.432 1.00 0.00 O ATOM 135 ND2 ASN A 9 -2.400 -3.688 10.481 1.00 0.00 N ATOM 0 H ASN A 9 -2.261 -5.679 8.509 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.444 -7.269 10.915 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -4.215 -5.197 9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.634 -5.973 11.074 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.843 -2.964 10.935 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.513 -3.684 9.467 1.00 0.00 H new ATOM 142 N GLY A 10 -4.623 -7.655 8.472 1.00 0.00 N ATOM 143 CA GLY A 10 -5.595 -8.574 7.926 1.00 0.00 C ATOM 144 C GLY A 10 -6.791 -7.870 7.324 1.00 0.00 C ATOM 145 O GLY A 10 -7.882 -8.436 7.257 1.00 0.00 O ATOM 0 H GLY A 10 -4.539 -6.773 7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.119 -9.189 7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.934 -9.248 8.713 1.00 0.00 H new ATOM 149 N ALA A 11 -6.599 -6.629 6.902 1.00 0.00 N ATOM 150 CA ALA A 11 -7.644 -5.890 6.218 1.00 0.00 C ATOM 151 C ALA A 11 -7.564 -6.159 4.723 1.00 0.00 C ATOM 152 O ALA A 11 -6.496 -6.043 4.120 1.00 0.00 O ATOM 153 CB ALA A 11 -7.524 -4.401 6.508 1.00 0.00 C ATOM 0 H ALA A 11 -5.727 -6.114 7.023 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.615 -6.223 6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.316 -3.864 5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.615 -4.231 7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.554 -4.040 6.165 1.00 0.00 H new ATOM 159 N LEU A 12 -8.687 -6.543 4.144 1.00 0.00 N ATOM 160 CA LEU A 12 -8.745 -6.913 2.737 1.00 0.00 C ATOM 161 C LEU A 12 -8.585 -5.698 1.832 1.00 0.00 C ATOM 162 O LEU A 12 -9.156 -4.637 2.086 1.00 0.00 O ATOM 163 CB LEU A 12 -10.065 -7.626 2.449 1.00 0.00 C ATOM 164 CG LEU A 12 -10.181 -9.019 3.066 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.641 -9.394 3.273 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.501 -10.046 2.174 1.00 0.00 C ATOM 0 H LEU A 12 -9.581 -6.608 4.630 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.916 -7.588 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.884 -7.009 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.190 -7.709 1.369 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.685 -9.008 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.702 -10.389 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.111 -8.672 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.157 -9.389 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.590 -11.035 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.978 -10.049 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.447 -9.791 2.064 1.00 0.00 H new ATOM 178 N LEU A 13 -7.800 -5.870 0.778 1.00 0.00 N ATOM 179 CA LEU A 13 -7.522 -4.799 -0.166 1.00 0.00 C ATOM 180 C LEU A 13 -8.247 -5.040 -1.484 1.00 0.00 C ATOM 181 O LEU A 13 -8.834 -6.107 -1.694 1.00 0.00 O ATOM 182 CB LEU A 13 -6.015 -4.706 -0.414 1.00 0.00 C ATOM 183 CG LEU A 13 -5.173 -4.348 0.813 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.692 -4.499 0.505 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.479 -2.930 1.267 1.00 0.00 C ATOM 0 H LEU A 13 -7.340 -6.752 0.554 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.880 -3.861 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.668 -5.662 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.836 -3.960 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.428 -5.034 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.108 -4.240 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.483 -5.530 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.421 -3.835 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.873 -2.689 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.249 -2.232 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.535 -2.850 1.525 1.00 0.00 H new ATOM 197 N ALA A 14 -8.197 -4.050 -2.366 1.00 0.00 N ATOM 198 CA ALA A 14 -8.798 -4.149 -3.688 1.00 0.00 C ATOM 199 C ALA A 14 -8.222 -3.080 -4.609 1.00 0.00 C ATOM 200 O ALA A 14 -7.420 -2.250 -4.179 1.00 0.00 O ATOM 201 CB ALA A 14 -10.312 -4.016 -3.597 1.00 0.00 C ATOM 0 H ALA A 14 -7.739 -3.157 -2.184 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.565 -5.129 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.745 -4.092 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.710 -4.812 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.567 -3.049 -3.164 1.00 0.00 H new ATOM 207 N ASP A 15 -8.613 -3.115 -5.875 1.00 0.00 N ATOM 208 CA ASP A 15 -8.171 -2.115 -6.847 1.00 0.00 C ATOM 209 C ASP A 15 -8.723 -0.736 -6.495 1.00 0.00 C ATOM 210 O ASP A 15 -9.939 -0.524 -6.476 1.00 0.00 O ATOM 211 CB ASP A 15 -8.608 -2.510 -8.261 1.00 0.00 C ATOM 212 CG ASP A 15 -8.146 -1.522 -9.319 1.00 0.00 C ATOM 213 OD1 ASP A 15 -7.004 -1.653 -9.809 1.00 0.00 O ATOM 214 OD2 ASP A 15 -8.925 -0.616 -9.681 1.00 0.00 O ATOM 0 H ASP A 15 -9.237 -3.825 -6.257 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.082 -2.071 -6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.212 -3.498 -8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.695 -2.587 -8.292 1.00 0.00 H new ATOM 219 N GLY A 16 -7.823 0.193 -6.203 1.00 0.00 N ATOM 220 CA GLY A 16 -8.226 1.537 -5.837 1.00 0.00 C ATOM 221 C GLY A 16 -8.133 1.770 -4.342 1.00 0.00 C ATOM 222 O GLY A 16 -8.607 2.788 -3.831 1.00 0.00 O ATOM 0 H GLY A 16 -6.815 0.039 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.596 2.259 -6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.250 1.711 -6.168 1.00 0.00 H new ATOM 226 N ASP A 17 -7.517 0.823 -3.642 1.00 0.00 N ATOM 227 CA ASP A 17 -7.369 0.915 -2.192 1.00 0.00 C ATOM 228 C ASP A 17 -6.070 1.630 -1.835 1.00 0.00 C ATOM 229 O ASP A 17 -5.273 1.960 -2.717 1.00 0.00 O ATOM 230 CB ASP A 17 -7.382 -0.476 -1.560 1.00 0.00 C ATOM 231 CG ASP A 17 -8.136 -0.498 -0.247 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.879 0.372 0.608 1.00 0.00 O ATOM 233 OD2 ASP A 17 -9.017 -1.368 -0.084 1.00 0.00 O ATOM 0 H ASP A 17 -7.112 -0.017 -4.054 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.210 1.487 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.839 -1.184 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.357 -0.808 -1.395 1.00 0.00 H new ATOM 238 N ASN A 18 -5.857 1.877 -0.550 1.00 0.00 N ATOM 239 CA ASN A 18 -4.661 2.580 -0.106 1.00 0.00 C ATOM 240 C ASN A 18 -4.012 1.909 1.095 1.00 0.00 C ATOM 241 O ASN A 18 -4.684 1.369 1.975 1.00 0.00 O ATOM 242 CB ASN A 18 -4.962 4.052 0.199 1.00 0.00 C ATOM 243 CG ASN A 18 -6.197 4.277 1.054 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.546 3.480 1.926 1.00 0.00 O ATOM 245 ND2 ASN A 18 -6.869 5.382 0.791 1.00 0.00 N ATOM 0 H ASN A 18 -6.492 1.603 0.200 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.949 2.536 -0.930 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.101 4.489 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.085 4.588 -0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.713 5.603 1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.544 6.015 0.060 1.00 0.00 H new ATOM 252 N VAL A 19 -2.690 1.947 1.108 1.00 0.00 N ATOM 253 CA VAL A 19 -1.901 1.354 2.178 1.00 0.00 C ATOM 254 C VAL A 19 -0.795 2.313 2.607 1.00 0.00 C ATOM 255 O VAL A 19 -0.636 3.387 2.025 1.00 0.00 O ATOM 256 CB VAL A 19 -1.271 0.005 1.755 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.346 -1.013 1.405 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.315 0.195 0.587 1.00 0.00 C ATOM 0 H VAL A 19 -2.132 2.390 0.378 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.577 1.165 3.012 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.703 -0.378 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.876 -1.952 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.983 -1.182 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.950 -0.636 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.115 -0.767 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.857 0.610 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.483 0.878 0.877 1.00 0.00 H new ATOM 268 N SER A 20 -0.047 1.942 3.633 1.00 0.00 N ATOM 269 CA SER A 20 1.063 2.756 4.105 1.00 0.00 C ATOM 270 C SER A 20 2.128 1.891 4.790 1.00 0.00 C ATOM 271 O SER A 20 1.845 0.777 5.230 1.00 0.00 O ATOM 272 CB SER A 20 0.551 3.845 5.055 1.00 0.00 C ATOM 273 OG SER A 20 -0.273 4.778 4.374 1.00 0.00 O ATOM 0 H SER A 20 -0.189 1.079 4.157 1.00 0.00 H new ATOM 0 HA SER A 20 1.530 3.235 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.011 3.386 5.868 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.397 4.365 5.505 1.00 0.00 H new ATOM 0 HG SER A 20 -0.436 4.465 3.460 1.00 0.00 H new ATOM 279 N LEU A 21 3.351 2.414 4.847 1.00 0.00 N ATOM 280 CA LEU A 21 4.497 1.710 5.434 1.00 0.00 C ATOM 281 C LEU A 21 4.376 1.592 6.955 1.00 0.00 C ATOM 282 O LEU A 21 4.160 2.590 7.645 1.00 0.00 O ATOM 283 CB LEU A 21 5.793 2.456 5.084 1.00 0.00 C ATOM 284 CG LEU A 21 6.453 2.096 3.745 1.00 0.00 C ATOM 285 CD1 LEU A 21 7.082 0.721 3.823 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.459 2.157 2.595 1.00 0.00 C ATOM 0 H LEU A 21 3.579 3.341 4.487 1.00 0.00 H new ATOM 0 HA LEU A 21 4.515 0.702 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.581 3.525 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.516 2.275 5.880 1.00 0.00 H new ATOM 0 HG LEU A 21 7.231 2.834 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.546 0.478 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.839 0.711 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.314 -0.018 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.963 1.896 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.647 1.453 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.054 3.166 2.518 1.00 0.00 H new ATOM 298 N ILE A 22 4.542 0.373 7.472 1.00 0.00 N ATOM 299 CA ILE A 22 4.493 0.138 8.919 1.00 0.00 C ATOM 300 C ILE A 22 5.891 0.204 9.529 1.00 0.00 C ATOM 301 O ILE A 22 6.060 0.107 10.746 1.00 0.00 O ATOM 302 CB ILE A 22 3.876 -1.235 9.264 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.766 -2.374 8.754 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.478 -1.343 8.679 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.295 -3.753 9.163 1.00 0.00 C ATOM 0 H ILE A 22 4.711 -0.464 6.914 1.00 0.00 H new ATOM 0 HA ILE A 22 3.863 0.924 9.336 1.00 0.00 H new ATOM 0 HB ILE A 22 3.807 -1.321 10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.813 -2.325 7.666 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.780 -2.223 9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.053 -2.315 8.929 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.849 -0.555 9.093 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.528 -1.236 7.595 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.977 -4.504 8.764 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.275 -3.823 10.251 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.293 -3.927 8.770 1.00 0.00 H new ATOM 317 N LYS A 23 6.885 0.355 8.670 1.00 0.00 N ATOM 318 CA LYS A 23 8.279 0.397 9.085 1.00 0.00 C ATOM 319 C LYS A 23 9.122 0.960 7.954 1.00 0.00 C ATOM 320 O LYS A 23 8.593 1.282 6.892 1.00 0.00 O ATOM 321 CB LYS A 23 8.778 -1.004 9.464 1.00 0.00 C ATOM 322 CG LYS A 23 8.290 -2.093 8.523 1.00 0.00 C ATOM 323 CD LYS A 23 9.208 -3.308 8.499 1.00 0.00 C ATOM 324 CE LYS A 23 9.017 -4.217 9.705 1.00 0.00 C ATOM 325 NZ LYS A 23 9.509 -3.607 10.970 1.00 0.00 N ATOM 0 H LYS A 23 6.749 0.452 7.664 1.00 0.00 H new ATOM 0 HA LYS A 23 8.366 1.037 9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.868 -1.003 9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.451 -1.236 10.478 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.290 -2.405 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.207 -1.686 7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.025 -3.878 7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.245 -2.973 8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.959 -4.456 9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.541 -5.157 9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.926 -4.345 11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.230 -2.890 10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.715 -3.159 11.471 1.00 0.00 H new ATOM 339 N ASP A 24 10.421 1.076 8.181 1.00 0.00 N ATOM 340 CA ASP A 24 11.322 1.582 7.149 1.00 0.00 C ATOM 341 C ASP A 24 11.793 0.441 6.255 1.00 0.00 C ATOM 342 O ASP A 24 12.562 -0.421 6.687 1.00 0.00 O ATOM 343 CB ASP A 24 12.550 2.274 7.759 1.00 0.00 C ATOM 344 CG ASP A 24 12.219 3.213 8.901 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.202 3.924 8.824 1.00 0.00 O ATOM 346 OD2 ASP A 24 13.004 3.274 9.874 1.00 0.00 O ATOM 0 H ASP A 24 10.875 0.830 9.061 1.00 0.00 H new ATOM 0 HA ASP A 24 10.765 2.313 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.244 1.513 8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.065 2.834 6.978 1.00 0.00 H new ATOM 351 N LEU A 25 11.330 0.430 5.016 1.00 0.00 N ATOM 352 CA LEU A 25 11.740 -0.588 4.054 1.00 0.00 C ATOM 353 C LEU A 25 12.627 0.024 2.985 1.00 0.00 C ATOM 354 O LEU A 25 12.210 0.917 2.254 1.00 0.00 O ATOM 355 CB LEU A 25 10.533 -1.258 3.380 1.00 0.00 C ATOM 356 CG LEU A 25 9.789 -2.314 4.207 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.732 -3.406 4.693 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.074 -1.681 5.377 1.00 0.00 C ATOM 0 H LEU A 25 10.669 1.114 4.649 1.00 0.00 H new ATOM 0 HA LEU A 25 12.292 -1.348 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.822 -0.480 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.874 -1.725 2.456 1.00 0.00 H new ATOM 0 HG LEU A 25 9.047 -2.773 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.172 -4.138 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.190 -3.899 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.510 -2.964 5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.555 -2.452 5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.799 -1.182 6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.351 -0.952 5.011 1.00 0.00 H new ATOM 511 N LYS A 35 10.769 5.089 4.305 1.00 0.00 N ATOM 512 CA LYS A 35 10.601 5.195 5.750 1.00 0.00 C ATOM 513 C LYS A 35 9.177 4.875 6.183 1.00 0.00 C ATOM 514 O LYS A 35 8.245 4.878 5.376 1.00 0.00 O ATOM 515 CB LYS A 35 10.959 6.608 6.215 1.00 0.00 C ATOM 516 CG LYS A 35 12.451 6.853 6.388 1.00 0.00 C ATOM 517 CD LYS A 35 12.976 6.222 7.669 1.00 0.00 C ATOM 518 CE LYS A 35 12.270 6.779 8.902 1.00 0.00 C ATOM 519 NZ LYS A 35 12.666 6.067 10.145 1.00 0.00 N ATOM 0 HA LYS A 35 11.269 4.465 6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.566 7.325 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.459 6.803 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.989 6.444 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.645 7.925 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.837 5.142 7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.048 6.402 7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.502 7.839 9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.191 6.700 8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.815 5.725 10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.275 5.259 9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.185 6.718 10.768 1.00 0.00 H new ATOM 533 N ARG A 36 9.030 4.604 7.466 1.00 0.00 N ATOM 534 CA ARG A 36 7.729 4.387 8.067 1.00 0.00 C ATOM 535 C ARG A 36 6.855 5.621 7.887 1.00 0.00 C ATOM 536 O ARG A 36 7.295 6.744 8.134 1.00 0.00 O ATOM 537 CB ARG A 36 7.897 4.072 9.551 1.00 0.00 C ATOM 538 CG ARG A 36 6.599 3.729 10.260 1.00 0.00 C ATOM 539 CD ARG A 36 6.865 3.226 11.663 1.00 0.00 C ATOM 540 NE ARG A 36 5.625 2.944 12.391 1.00 0.00 N ATOM 541 CZ ARG A 36 5.586 2.439 13.625 1.00 0.00 C ATOM 542 NH1 ARG A 36 6.717 2.187 14.273 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.418 2.210 14.219 1.00 0.00 N ATOM 0 H ARG A 36 9.809 4.528 8.120 1.00 0.00 H new ATOM 0 HA ARG A 36 7.244 3.544 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.589 3.237 9.659 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.353 4.930 10.045 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.959 4.610 10.301 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.060 2.970 9.693 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.470 2.321 11.615 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.445 3.969 12.210 1.00 0.00 H new ATOM 0 HE ARG A 36 4.739 3.146 11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.614 2.380 13.827 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.689 1.801 15.217 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.548 2.421 13.731 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.393 1.824 15.163 1.00 0.00 H new ATOM 557 N GLY A 37 5.626 5.411 7.450 1.00 0.00 N ATOM 558 CA GLY A 37 4.728 6.523 7.214 1.00 0.00 C ATOM 559 C GLY A 37 4.513 6.799 5.740 1.00 0.00 C ATOM 560 O GLY A 37 3.575 7.512 5.373 1.00 0.00 O ATOM 0 H GLY A 37 5.232 4.491 7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.767 6.315 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.130 7.417 7.692 1.00 0.00 H new ATOM 564 N THR A 38 5.385 6.247 4.893 1.00 0.00 N ATOM 565 CA THR A 38 5.237 6.372 3.445 1.00 0.00 C ATOM 566 C THR A 38 3.870 5.849 3.015 1.00 0.00 C ATOM 567 O THR A 38 3.525 4.697 3.283 1.00 0.00 O ATOM 568 CB THR A 38 6.344 5.598 2.693 1.00 0.00 C ATOM 569 OG1 THR A 38 7.633 6.048 3.127 1.00 0.00 O ATOM 570 CG2 THR A 38 6.228 5.790 1.186 1.00 0.00 C ATOM 0 H THR A 38 6.200 5.709 5.187 1.00 0.00 H new ATOM 0 HA THR A 38 5.327 7.428 3.192 1.00 0.00 H new ATOM 0 HB THR A 38 6.223 4.538 2.918 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.892 5.564 3.939 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.021 5.233 0.686 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.259 5.425 0.846 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.322 6.849 0.946 1.00 0.00 H new ATOM 578 N MET A 39 3.085 6.698 2.371 1.00 0.00 N ATOM 579 CA MET A 39 1.721 6.345 2.038 1.00 0.00 C ATOM 580 C MET A 39 1.608 5.915 0.585 1.00 0.00 C ATOM 581 O MET A 39 1.917 6.678 -0.332 1.00 0.00 O ATOM 582 CB MET A 39 0.783 7.517 2.319 1.00 0.00 C ATOM 583 CG MET A 39 -0.675 7.107 2.350 1.00 0.00 C ATOM 584 SD MET A 39 -1.750 8.403 2.981 1.00 0.00 S ATOM 585 CE MET A 39 -3.138 7.411 3.517 1.00 0.00 C ATOM 0 H MET A 39 3.370 7.630 2.071 1.00 0.00 H new ATOM 0 HA MET A 39 1.428 5.503 2.665 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.049 7.969 3.275 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.925 8.281 1.555 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.993 6.836 1.343 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.784 6.217 2.970 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.015 8.047 3.636 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.345 6.643 2.772 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.901 6.938 4.470 1.00 0.00 H new ATOM 595 N ILE A 40 1.158 4.689 0.385 1.00 0.00 N ATOM 596 CA ILE A 40 0.979 4.151 -0.953 1.00 0.00 C ATOM 597 C ILE A 40 -0.508 4.009 -1.254 1.00 0.00 C ATOM 598 O ILE A 40 -1.131 2.996 -0.936 1.00 0.00 O ATOM 599 CB ILE A 40 1.683 2.784 -1.131 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.166 2.901 -0.769 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.525 2.281 -2.562 1.00 0.00 C ATOM 602 CD1 ILE A 40 3.940 1.609 -0.935 1.00 0.00 C ATOM 0 H ILE A 40 0.909 4.044 1.135 1.00 0.00 H new ATOM 0 HA ILE A 40 1.437 4.849 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 40 1.214 2.064 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.623 3.670 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.253 3.235 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.027 1.319 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.466 2.165 -2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.969 2.999 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.982 1.771 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.510 0.842 -0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.886 1.283 -1.974 1.00 0.00 H new ATOM 614 N ARG A 41 -1.079 5.050 -1.827 1.00 0.00 N ATOM 615 CA ARG A 41 -2.493 5.062 -2.156 1.00 0.00 C ATOM 616 C ARG A 41 -2.706 4.812 -3.641 1.00 0.00 C ATOM 617 O ARG A 41 -2.003 5.368 -4.479 1.00 0.00 O ATOM 618 CB ARG A 41 -3.136 6.386 -1.713 1.00 0.00 C ATOM 619 CG ARG A 41 -2.157 7.543 -1.537 1.00 0.00 C ATOM 620 CD ARG A 41 -1.583 8.036 -2.857 1.00 0.00 C ATOM 621 NE ARG A 41 -0.500 8.997 -2.644 1.00 0.00 N ATOM 622 CZ ARG A 41 -0.526 10.258 -3.069 1.00 0.00 C ATOM 623 NH1 ARG A 41 -1.585 10.722 -3.725 1.00 0.00 N ATOM 624 NH2 ARG A 41 0.507 11.059 -2.829 1.00 0.00 N ATOM 0 H ARG A 41 -0.582 5.905 -2.076 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.981 4.253 -1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.888 6.673 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.658 6.223 -0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.663 8.368 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.341 7.227 -0.887 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.211 7.188 -3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.373 8.501 -3.448 1.00 0.00 H new ATOM 0 HE ARG A 41 0.327 8.680 -2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.382 10.111 -3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.601 11.689 -4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.318 10.707 -2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.489 12.026 -3.154 1.00 0.00 H new ATOM 638 N GLY A 42 -3.672 3.961 -3.956 1.00 0.00 N ATOM 639 CA GLY A 42 -3.908 3.585 -5.334 1.00 0.00 C ATOM 640 C GLY A 42 -3.292 2.240 -5.653 1.00 0.00 C ATOM 641 O GLY A 42 -2.541 2.101 -6.619 1.00 0.00 O ATOM 0 H GLY A 42 -4.298 3.524 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.981 3.550 -5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.491 4.344 -5.996 1.00 0.00 H new ATOM 645 N ILE A 43 -3.592 1.248 -4.824 1.00 0.00 N ATOM 646 CA ILE A 43 -3.053 -0.087 -5.016 1.00 0.00 C ATOM 647 C ILE A 43 -4.091 -0.987 -5.672 1.00 0.00 C ATOM 648 O ILE A 43 -5.274 -0.649 -5.723 1.00 0.00 O ATOM 649 CB ILE A 43 -2.568 -0.714 -3.680 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.737 -1.043 -2.742 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.595 0.223 -2.983 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.248 -2.465 -2.863 1.00 0.00 C ATOM 0 H ILE A 43 -4.205 1.345 -4.014 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.187 0.001 -5.672 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.064 -1.649 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.423 -0.868 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.557 -0.355 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.262 -0.228 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.734 0.399 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.090 1.171 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.073 -2.616 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.595 -2.641 -3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.444 -3.162 -2.628 1.00 0.00 H new ATOM 664 N ARG A 44 -3.642 -2.122 -6.172 1.00 0.00 N ATOM 665 CA ARG A 44 -4.515 -3.087 -6.813 1.00 0.00 C ATOM 666 C ARG A 44 -4.083 -4.505 -6.467 1.00 0.00 C ATOM 667 O ARG A 44 -2.931 -4.732 -6.085 1.00 0.00 O ATOM 668 CB ARG A 44 -4.495 -2.886 -8.328 1.00 0.00 C ATOM 669 CG ARG A 44 -3.092 -2.811 -8.904 1.00 0.00 C ATOM 670 CD ARG A 44 -3.110 -2.707 -10.416 1.00 0.00 C ATOM 671 NE ARG A 44 -3.798 -1.507 -10.887 1.00 0.00 N ATOM 672 CZ ARG A 44 -3.345 -0.731 -11.875 1.00 0.00 C ATOM 673 NH1 ARG A 44 -2.132 -0.931 -12.385 1.00 0.00 N ATOM 674 NH2 ARG A 44 -4.088 0.275 -12.316 1.00 0.00 N ATOM 0 H ARG A 44 -2.661 -2.401 -6.145 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.531 -2.935 -6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.033 -3.706 -8.804 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.031 -1.969 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.573 -1.948 -8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.529 -3.696 -8.607 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.086 -2.704 -10.789 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.598 -3.588 -10.832 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.675 -1.247 -10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.543 -1.680 -12.021 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.791 -0.335 -13.140 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.002 0.454 -11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.745 0.870 -13.070 1.00 0.00 H new ATOM 688 N LEU A 45 -5.001 -5.457 -6.597 1.00 0.00 N ATOM 689 CA LEU A 45 -4.687 -6.851 -6.319 1.00 0.00 C ATOM 690 C LEU A 45 -3.923 -7.447 -7.491 1.00 0.00 C ATOM 691 O LEU A 45 -4.253 -7.201 -8.653 1.00 0.00 O ATOM 692 CB LEU A 45 -5.958 -7.661 -6.045 1.00 0.00 C ATOM 693 CG LEU A 45 -6.853 -7.118 -4.928 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.965 -8.105 -4.611 1.00 0.00 C ATOM 695 CD2 LEU A 45 -6.038 -6.801 -3.685 1.00 0.00 C ATOM 0 H LEU A 45 -5.963 -5.289 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.066 -6.893 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.542 -7.711 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.671 -8.682 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.308 -6.190 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.592 -7.703 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.571 -8.269 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.531 -9.051 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.697 -6.417 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.547 -7.708 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.285 -6.051 -3.925 1.00 0.00 H new ATOM 707 N THR A 46 -2.910 -8.233 -7.180 1.00 0.00 N ATOM 708 CA THR A 46 -1.985 -8.730 -8.184 1.00 0.00 C ATOM 709 C THR A 46 -2.216 -10.222 -8.440 1.00 0.00 C ATOM 710 O THR A 46 -3.200 -10.789 -7.962 1.00 0.00 O ATOM 711 CB THR A 46 -0.548 -8.497 -7.685 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.561 -7.422 -6.746 1.00 0.00 O ATOM 713 CG2 THR A 46 0.398 -8.134 -8.814 1.00 0.00 C ATOM 0 H THR A 46 -2.705 -8.544 -6.231 1.00 0.00 H new ATOM 0 HA THR A 46 -2.147 -8.198 -9.122 1.00 0.00 H new ATOM 0 HB THR A 46 -0.196 -9.424 -7.232 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.118 -6.640 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.400 -7.979 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.420 -8.943 -9.544 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.055 -7.219 -9.296 1.00 0.00 H new ATOM 721 N ASP A 47 -1.334 -10.842 -9.224 1.00 0.00 N ATOM 722 CA ASP A 47 -1.346 -12.294 -9.401 1.00 0.00 C ATOM 723 C ASP A 47 -1.108 -12.963 -8.059 1.00 0.00 C ATOM 724 O ASP A 47 -1.664 -14.019 -7.755 1.00 0.00 O ATOM 725 CB ASP A 47 -0.259 -12.737 -10.387 1.00 0.00 C ATOM 726 CG ASP A 47 -0.443 -12.164 -11.775 1.00 0.00 C ATOM 727 OD1 ASP A 47 0.000 -11.020 -12.013 1.00 0.00 O ATOM 728 OD2 ASP A 47 -1.020 -12.857 -12.637 1.00 0.00 O ATOM 0 H ASP A 47 -0.602 -10.361 -9.747 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.316 -12.586 -9.803 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.715 -12.435 -10.003 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.255 -13.825 -10.448 1.00 0.00 H new ATOM 733 N SER A 48 -0.268 -12.324 -7.262 1.00 0.00 N ATOM 734 CA SER A 48 0.009 -12.765 -5.917 1.00 0.00 C ATOM 735 C SER A 48 -0.994 -12.158 -4.948 1.00 0.00 C ATOM 736 O SER A 48 -1.458 -11.036 -5.146 1.00 0.00 O ATOM 737 CB SER A 48 1.419 -12.339 -5.523 1.00 0.00 C ATOM 738 OG SER A 48 2.398 -12.974 -6.325 1.00 0.00 O ATOM 0 H SER A 48 0.240 -11.483 -7.536 1.00 0.00 H new ATOM 0 HA SER A 48 -0.072 -13.851 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.514 -11.257 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.593 -12.581 -4.475 1.00 0.00 H new ATOM 0 HG SER A 48 3.290 -12.678 -6.048 1.00 0.00 H new ATOM 744 N GLU A 49 -1.321 -12.900 -3.909 1.00 0.00 N ATOM 745 CA GLU A 49 -2.175 -12.395 -2.849 1.00 0.00 C ATOM 746 C GLU A 49 -1.334 -12.078 -1.625 1.00 0.00 C ATOM 747 O GLU A 49 -1.830 -11.614 -0.599 1.00 0.00 O ATOM 748 CB GLU A 49 -3.295 -13.386 -2.507 1.00 0.00 C ATOM 749 CG GLU A 49 -2.833 -14.758 -2.022 1.00 0.00 C ATOM 750 CD GLU A 49 -2.067 -15.551 -3.065 1.00 0.00 C ATOM 751 OE1 GLU A 49 -0.826 -15.412 -3.130 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.699 -16.312 -3.824 1.00 0.00 O ATOM 0 H GLU A 49 -1.007 -13.861 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.655 -11.480 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.927 -12.942 -1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.918 -13.523 -3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.202 -14.629 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.704 -15.334 -1.708 1.00 0.00 H new ATOM 759 N ASP A 50 -0.046 -12.344 -1.756 1.00 0.00 N ATOM 760 CA ASP A 50 0.931 -11.947 -0.758 1.00 0.00 C ATOM 761 C ASP A 50 1.558 -10.627 -1.183 1.00 0.00 C ATOM 762 O ASP A 50 2.328 -10.007 -0.447 1.00 0.00 O ATOM 763 CB ASP A 50 2.008 -13.023 -0.621 1.00 0.00 C ATOM 764 CG ASP A 50 3.004 -12.730 0.480 1.00 0.00 C ATOM 765 OD1 ASP A 50 2.611 -12.768 1.667 1.00 0.00 O ATOM 766 OD2 ASP A 50 4.190 -12.490 0.161 1.00 0.00 O ATOM 0 H ASP A 50 0.351 -12.840 -2.554 1.00 0.00 H new ATOM 0 HA ASP A 50 0.442 -11.826 0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.531 -13.983 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.540 -13.119 -1.568 1.00 0.00 H new ATOM 771 N GLU A 51 1.192 -10.193 -2.379 1.00 0.00 N ATOM 772 CA GLU A 51 1.732 -8.982 -2.959 1.00 0.00 C ATOM 773 C GLU A 51 0.629 -8.132 -3.530 1.00 0.00 C ATOM 774 O GLU A 51 -0.459 -8.619 -3.837 1.00 0.00 O ATOM 775 CB GLU A 51 2.729 -9.307 -4.066 1.00 0.00 C ATOM 776 CG GLU A 51 4.162 -9.379 -3.583 1.00 0.00 C ATOM 777 CD GLU A 51 5.087 -10.065 -4.566 1.00 0.00 C ATOM 778 OE1 GLU A 51 5.160 -11.311 -4.546 1.00 0.00 O ATOM 779 OE2 GLU A 51 5.757 -9.367 -5.354 1.00 0.00 O ATOM 0 H GLU A 51 0.513 -10.672 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 51 2.241 -8.436 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.458 -10.260 -4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.654 -8.549 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.527 -8.369 -3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.192 -9.912 -2.632 1.00 0.00 H new ATOM 786 N ILE A 52 0.925 -6.865 -3.659 1.00 0.00 N ATOM 787 CA ILE A 52 0.042 -5.934 -4.325 1.00 0.00 C ATOM 788 C ILE A 52 0.852 -4.994 -5.186 1.00 0.00 C ATOM 789 O ILE A 52 2.070 -4.946 -5.083 1.00 0.00 O ATOM 790 CB ILE A 52 -0.799 -5.086 -3.353 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.103 -4.387 -2.340 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.839 -5.938 -2.652 1.00 0.00 C ATOM 793 CD1 ILE A 52 -0.488 -3.105 -1.806 1.00 0.00 C ATOM 0 H ILE A 52 1.785 -6.446 -3.306 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.643 -6.537 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.324 -4.324 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.298 -5.064 -1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.064 -4.170 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.420 -5.316 -1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.503 -6.384 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.342 -6.728 -2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.202 -2.657 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.658 -2.412 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.435 -3.319 -1.311 1.00 0.00 H new ATOM 805 N GLU A 53 0.182 -4.255 -6.031 1.00 0.00 N ATOM 806 CA GLU A 53 0.835 -3.266 -6.850 1.00 0.00 C ATOM 807 C GLU A 53 0.204 -1.916 -6.585 1.00 0.00 C ATOM 808 O GLU A 53 -1.016 -1.780 -6.628 1.00 0.00 O ATOM 809 CB GLU A 53 0.699 -3.665 -8.308 1.00 0.00 C ATOM 810 CG GLU A 53 1.402 -2.739 -9.290 1.00 0.00 C ATOM 811 CD GLU A 53 0.447 -1.795 -10.003 1.00 0.00 C ATOM 812 OE1 GLU A 53 -0.074 -2.173 -11.076 1.00 0.00 O ATOM 813 OE2 GLU A 53 0.231 -0.668 -9.512 1.00 0.00 O ATOM 0 H GLU A 53 -0.826 -4.320 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 53 1.896 -3.202 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.095 -4.673 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.360 -3.705 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.152 -2.154 -8.757 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.932 -3.338 -10.030 1.00 0.00 H new ATOM 820 N GLY A 54 1.022 -0.933 -6.281 1.00 0.00 N ATOM 821 CA GLY A 54 0.498 0.363 -5.937 1.00 0.00 C ATOM 822 C GLY A 54 1.298 1.480 -6.544 1.00 0.00 C ATOM 823 O GLY A 54 2.181 1.248 -7.367 1.00 0.00 O ATOM 0 H GLY A 54 2.039 -1.007 -6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.536 0.435 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.489 0.473 -4.853 1.00 0.00 H new ATOM 827 N ARG A 55 1.001 2.696 -6.133 1.00 0.00 N ATOM 828 CA ARG A 55 1.705 3.855 -6.639 1.00 0.00 C ATOM 829 C ARG A 55 2.050 4.794 -5.493 1.00 0.00 C ATOM 830 O ARG A 55 1.287 4.940 -4.536 1.00 0.00 O ATOM 831 CB ARG A 55 0.861 4.564 -7.700 1.00 0.00 C ATOM 832 CG ARG A 55 -0.390 5.226 -7.154 1.00 0.00 C ATOM 833 CD ARG A 55 -1.356 5.584 -8.267 1.00 0.00 C ATOM 834 NE ARG A 55 -1.954 4.390 -8.868 1.00 0.00 N ATOM 835 CZ ARG A 55 -3.221 4.312 -9.274 1.00 0.00 C ATOM 836 NH1 ARG A 55 -4.023 5.367 -9.189 1.00 0.00 N ATOM 837 NH2 ARG A 55 -3.683 3.169 -9.772 1.00 0.00 N ATOM 0 H ARG A 55 0.275 2.907 -5.448 1.00 0.00 H new ATOM 0 HA ARG A 55 2.635 3.534 -7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.474 5.319 -8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.573 3.841 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.879 4.556 -6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.117 6.126 -6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.143 6.227 -7.873 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.833 6.155 -9.034 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.364 3.566 -8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.671 6.246 -8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.991 5.298 -9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.069 2.358 -9.842 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.652 3.103 -10.084 1.00 0.00 H new ATOM 918 N LYS A 60 5.304 4.874 -9.501 1.00 0.00 N ATOM 919 CA LYS A 60 3.967 4.369 -9.749 1.00 0.00 C ATOM 920 C LYS A 60 4.043 2.949 -10.287 1.00 0.00 C ATOM 921 O LYS A 60 4.989 2.598 -10.993 1.00 0.00 O ATOM 922 CB LYS A 60 3.212 5.255 -10.741 1.00 0.00 C ATOM 923 CG LYS A 60 3.772 5.208 -12.155 1.00 0.00 C ATOM 924 CD LYS A 60 2.837 5.873 -13.148 1.00 0.00 C ATOM 925 CE LYS A 60 2.701 7.359 -12.882 1.00 0.00 C ATOM 926 NZ LYS A 60 1.659 7.972 -13.742 1.00 0.00 N ATOM 0 HA LYS A 60 3.424 4.376 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.166 4.949 -10.764 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.235 6.285 -10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.742 5.704 -12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.937 4.171 -12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.211 5.717 -14.160 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.855 5.402 -13.095 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.450 7.521 -11.834 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.657 7.851 -13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.592 8.989 -13.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.912 7.839 -14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.742 7.519 -13.553 1.00 0.00 H new ATOM 940 N GLY A 61 3.056 2.139 -9.938 1.00 0.00 N ATOM 941 CA GLY A 61 2.975 0.794 -10.467 1.00 0.00 C ATOM 942 C GLY A 61 4.106 -0.094 -10.000 1.00 0.00 C ATOM 943 O GLY A 61 4.735 -0.786 -10.805 1.00 0.00 O ATOM 0 H GLY A 61 2.306 2.391 -9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.025 0.349 -10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.980 0.837 -11.556 1.00 0.00 H new ATOM 947 N LEU A 62 4.376 -0.082 -8.704 1.00 0.00 N ATOM 948 CA LEU A 62 5.395 -0.953 -8.151 1.00 0.00 C ATOM 949 C LEU A 62 4.732 -2.069 -7.359 1.00 0.00 C ATOM 950 O LEU A 62 3.814 -1.833 -6.570 1.00 0.00 O ATOM 951 CB LEU A 62 6.411 -0.183 -7.284 1.00 0.00 C ATOM 952 CG LEU A 62 5.984 0.165 -5.853 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.186 0.646 -5.056 1.00 0.00 C ATOM 954 CD2 LEU A 62 4.900 1.231 -5.840 1.00 0.00 C ATOM 0 H LEU A 62 3.908 0.516 -8.023 1.00 0.00 H new ATOM 0 HA LEU A 62 5.960 -1.384 -8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.326 -0.773 -7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.660 0.745 -7.798 1.00 0.00 H new ATOM 0 HG LEU A 62 5.578 -0.737 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.875 0.891 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.940 -0.141 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.606 1.533 -5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.621 1.454 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.274 2.136 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.027 0.868 -6.382 1.00 0.00 H new ATOM 966 N VAL A 63 5.185 -3.285 -7.593 1.00 0.00 N ATOM 967 CA VAL A 63 4.605 -4.450 -6.954 1.00 0.00 C ATOM 968 C VAL A 63 5.360 -4.765 -5.676 1.00 0.00 C ATOM 969 O VAL A 63 6.555 -5.064 -5.707 1.00 0.00 O ATOM 970 CB VAL A 63 4.628 -5.681 -7.886 1.00 0.00 C ATOM 971 CG1 VAL A 63 3.950 -6.872 -7.227 1.00 0.00 C ATOM 972 CG2 VAL A 63 3.971 -5.362 -9.219 1.00 0.00 C ATOM 0 H VAL A 63 5.958 -3.493 -8.225 1.00 0.00 H new ATOM 0 HA VAL A 63 3.565 -4.221 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 63 5.670 -5.942 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.979 -7.727 -7.903 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.471 -7.122 -6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.913 -6.622 -7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.999 -6.244 -9.859 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.935 -5.067 -9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.507 -4.546 -9.703 1.00 0.00 H new ATOM 982 N LEU A 64 4.663 -4.689 -4.561 1.00 0.00 N ATOM 983 CA LEU A 64 5.280 -4.902 -3.262 1.00 0.00 C ATOM 984 C LEU A 64 4.541 -5.942 -2.442 1.00 0.00 C ATOM 985 O LEU A 64 3.317 -6.050 -2.503 1.00 0.00 O ATOM 986 CB LEU A 64 5.360 -3.594 -2.473 1.00 0.00 C ATOM 987 CG LEU A 64 6.539 -2.700 -2.841 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.362 -1.310 -2.254 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.835 -3.331 -2.352 1.00 0.00 C ATOM 0 H LEU A 64 3.665 -4.481 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 64 6.287 -5.272 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.436 -3.036 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.418 -3.829 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 64 6.583 -2.602 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.214 -0.688 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.447 -0.864 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.298 -1.379 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.675 -2.689 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.796 -3.449 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.963 -4.307 -2.819 1.00 0.00 H new ATOM 1001 N ARG A 65 5.312 -6.715 -1.693 1.00 0.00 N ATOM 1002 CA ARG A 65 4.766 -7.651 -0.724 1.00 0.00 C ATOM 1003 C ARG A 65 3.936 -6.913 0.316 1.00 0.00 C ATOM 1004 O ARG A 65 4.369 -5.899 0.869 1.00 0.00 O ATOM 1005 CB ARG A 65 5.901 -8.410 -0.040 1.00 0.00 C ATOM 1006 CG ARG A 65 7.076 -7.521 0.331 1.00 0.00 C ATOM 1007 CD ARG A 65 8.119 -8.272 1.142 1.00 0.00 C ATOM 1008 NE ARG A 65 8.940 -9.142 0.302 1.00 0.00 N ATOM 1009 CZ ARG A 65 9.580 -10.224 0.746 1.00 0.00 C ATOM 1010 NH1 ARG A 65 9.390 -10.653 1.986 1.00 0.00 N ATOM 1011 NH2 ARG A 65 10.387 -10.897 -0.061 1.00 0.00 N ATOM 0 H ARG A 65 6.331 -6.711 -1.740 1.00 0.00 H new ATOM 0 HA ARG A 65 4.123 -8.360 -1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.518 -8.890 0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.249 -9.204 -0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.535 -7.128 -0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.718 -6.665 0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.759 -7.558 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.623 -8.869 1.907 1.00 0.00 H new ATOM 0 HE ARG A 65 9.029 -8.906 -0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.751 -10.155 2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.882 -11.481 2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.520 -10.588 -1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.876 -11.725 0.281 1.00 0.00 H new ATOM 1025 N THR A 66 2.757 -7.431 0.597 1.00 0.00 N ATOM 1026 CA THR A 66 1.831 -6.758 1.494 1.00 0.00 C ATOM 1027 C THR A 66 2.068 -7.193 2.945 1.00 0.00 C ATOM 1028 O THR A 66 1.152 -7.212 3.769 1.00 0.00 O ATOM 1029 CB THR A 66 0.364 -7.020 1.061 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.545 -6.246 1.854 1.00 0.00 O ATOM 1031 CG2 THR A 66 0.010 -8.498 1.169 1.00 0.00 C ATOM 0 H THR A 66 2.415 -8.315 0.219 1.00 0.00 H new ATOM 0 HA THR A 66 2.012 -5.685 1.435 1.00 0.00 H new ATOM 0 HB THR A 66 0.273 -6.718 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.196 -6.842 2.280 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.024 -8.648 0.859 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.670 -9.078 0.524 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.130 -8.826 2.201 1.00 0.00 H new ATOM 1039 N GLU A 67 3.322 -7.501 3.270 1.00 0.00 N ATOM 1040 CA GLU A 67 3.664 -7.945 4.617 1.00 0.00 C ATOM 1041 C GLU A 67 3.903 -6.746 5.506 1.00 0.00 C ATOM 1042 O GLU A 67 3.645 -6.774 6.709 1.00 0.00 O ATOM 1043 CB GLU A 67 4.934 -8.785 4.611 1.00 0.00 C ATOM 1044 CG GLU A 67 5.026 -9.761 3.463 1.00 0.00 C ATOM 1045 CD GLU A 67 6.187 -10.714 3.629 1.00 0.00 C ATOM 1046 OE1 GLU A 67 7.347 -10.248 3.639 1.00 0.00 O ATOM 1047 OE2 GLU A 67 5.950 -11.929 3.780 1.00 0.00 O ATOM 0 H GLU A 67 4.111 -7.452 2.625 1.00 0.00 H new ATOM 0 HA GLU A 67 2.833 -8.544 4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.796 -8.119 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.995 -9.338 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.098 -10.328 3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.137 -9.213 2.528 1.00 0.00 H new ATOM 1054 N PHE A 68 4.417 -5.698 4.895 1.00 0.00 N ATOM 1055 CA PHE A 68 4.847 -4.526 5.631 1.00 0.00 C ATOM 1056 C PHE A 68 3.970 -3.322 5.318 1.00 0.00 C ATOM 1057 O PHE A 68 4.326 -2.181 5.624 1.00 0.00 O ATOM 1058 CB PHE A 68 6.318 -4.235 5.320 1.00 0.00 C ATOM 1059 CG PHE A 68 6.613 -3.924 3.874 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.402 -2.655 3.360 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.124 -4.900 3.034 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.691 -2.366 2.039 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.410 -4.616 1.712 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.193 -3.349 1.215 1.00 0.00 C ATOM 0 H PHE A 68 4.548 -5.634 3.885 1.00 0.00 H new ATOM 0 HA PHE A 68 4.745 -4.727 6.698 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.644 -3.393 5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.915 -5.096 5.620 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.006 -1.880 4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.301 -5.894 3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.523 -1.371 1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.804 -5.388 1.068 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.416 -3.127 0.182 1.00 0.00 H new ATOM 1074 N LEU A 69 2.811 -3.577 4.728 1.00 0.00 N ATOM 1075 CA LEU A 69 1.910 -2.503 4.366 1.00 0.00 C ATOM 1076 C LEU A 69 0.658 -2.567 5.202 1.00 0.00 C ATOM 1077 O LEU A 69 0.158 -3.644 5.524 1.00 0.00 O ATOM 1078 CB LEU A 69 1.556 -2.556 2.880 1.00 0.00 C ATOM 1079 CG LEU A 69 2.748 -2.522 1.922 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.292 -2.776 0.497 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.470 -1.187 2.018 1.00 0.00 C ATOM 0 H LEU A 69 2.478 -4.512 4.493 1.00 0.00 H new ATOM 0 HA LEU A 69 2.418 -1.558 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.985 -3.465 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.901 -1.716 2.649 1.00 0.00 H new ATOM 0 HG LEU A 69 3.442 -3.312 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.153 -2.748 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.817 -3.755 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.578 -2.007 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.315 -1.180 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.783 -0.382 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.830 -1.040 3.036 1.00 0.00 H new ATOM 1093 N LYS A 70 0.179 -1.401 5.560 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.986 -1.275 6.399 1.00 0.00 C ATOM 1095 C LYS A 70 -2.105 -0.611 5.625 1.00 0.00 C ATOM 1096 O LYS A 70 -1.884 0.403 4.969 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.634 -0.449 7.634 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.333 -0.929 8.886 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.795 -0.510 8.919 1.00 0.00 C ATOM 1100 CE LYS A 70 -2.935 0.966 9.259 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.354 1.409 9.265 1.00 0.00 N ATOM 0 H LYS A 70 0.588 -0.510 5.277 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.318 -2.264 6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.444 -0.482 7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.898 0.593 7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.266 -2.015 8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.822 -0.530 9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.255 -0.708 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.331 -1.108 9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.493 1.155 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.374 1.558 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.446 2.270 9.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.659 1.609 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.950 0.658 9.667 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.295 -1.179 5.699 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.440 -0.626 4.994 1.00 0.00 C ATOM 1117 C LYS A 71 -4.775 0.730 5.598 1.00 0.00 C ATOM 1118 O LYS A 71 -5.065 0.827 6.790 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.628 -1.586 5.081 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.727 -1.320 4.062 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.630 -0.168 4.462 1.00 0.00 C ATOM 1122 CE LYS A 71 -8.809 -0.057 3.515 1.00 0.00 C ATOM 1123 NZ LYS A 71 -9.728 1.045 3.891 1.00 0.00 N ATOM 0 H LYS A 71 -3.495 -2.021 6.239 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.205 -0.495 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.266 -2.606 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.055 -1.526 6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.275 -1.103 3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.328 -2.221 3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.988 -0.317 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.064 0.763 4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.444 0.107 2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.357 -0.999 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.519 1.083 3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.098 0.877 4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.213 1.948 3.872 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.732 1.765 4.777 1.00 0.00 N ATOM 1138 CA ALA A 72 -4.768 3.136 5.276 1.00 0.00 C ATOM 1139 C ALA A 72 -6.145 3.518 5.807 1.00 0.00 C ATOM 1140 O ALA A 72 -6.340 3.624 7.018 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.321 4.104 4.194 1.00 0.00 C ATOM 0 H ALA A 72 -4.672 1.686 3.762 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.074 3.197 6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.353 5.122 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.303 3.864 3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.986 4.021 3.334 1.00 0.00 H new