USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 737 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 79 THR OG1 : rot -28:sc= 1.08 USER MOD Set 1.2: A 82 THR OG1 : rot 83:sc= 0.572! USER MOD Set 2.1: A 68 ASN : amide:sc= -0.655 X(o=-2,f=-1.7) USER MOD Set 2.2: A 78 MET CE :methyl 160:sc= -1.32 (180deg=-0.892) USER MOD Set 3.1: A 43 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 87 GLN : amide:sc= -1.54! C(o=-1.5!,f=-2.7!) USER MOD Single : A 9 GLN : amide:sc= -0.169 K(o=-0.17,f=-1) USER MOD Single : A 10 SER OG : rot -46:sc= 0.00187 USER MOD Single : A 13 TYR OH : rot 180:sc= -2.91! USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 21 GLN : amide:sc= -6.33! C(o=-6.3!,f=-4.7!) USER MOD Single : A 22 SER OG : rot -160:sc= -0.491 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -33.5! C(o=-33!,f=-34!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.761 USER MOD Single : A 64 ASN : amide:sc= -0.363! C(o=-0.36!,f=-6.1!) USER MOD Single : A 72 GLN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -88:sc= 1.07 USER MOD Single : A 85 SER OG : rot 180:sc= -0.173 USER MOD Single : A 93 SER OG : rot -87:sc= 0.893 USER MOD Single : A 94 MET CE :methyl -141:sc= -10.6! (180deg=-14.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.646 14.007 -4.931 1.00 0.00 N ATOM 2 CA PRO A 1 4.137 14.082 -3.525 1.00 0.00 C ATOM 3 C PRO A 1 5.432 13.333 -3.306 1.00 0.00 C ATOM 4 O PRO A 1 6.097 12.900 -4.244 1.00 0.00 O ATOM 5 CB PRO A 1 3.068 13.448 -2.660 1.00 0.00 C ATOM 6 CG PRO A 1 1.867 13.574 -3.481 1.00 0.00 C ATOM 7 CD PRO A 1 2.355 13.285 -4.872 1.00 0.00 C ATOM 0 H2 PRO A 1 4.313 13.515 -5.525 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.526 14.940 -5.326 1.00 0.00 H new ATOM 0 HA PRO A 1 4.331 15.126 -3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.296 12.406 -2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.961 13.964 -1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.095 12.869 -3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.435 14.572 -3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.483 12.216 -5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.657 13.645 -5.627 1.00 0.00 H new ATOM 17 N ARG A 2 5.743 13.166 -2.030 1.00 0.00 N ATOM 18 CA ARG A 2 6.931 12.437 -1.592 1.00 0.00 C ATOM 19 C ARG A 2 6.490 11.139 -0.949 1.00 0.00 C ATOM 20 O ARG A 2 5.333 11.028 -0.546 1.00 0.00 O ATOM 21 CB ARG A 2 7.726 13.265 -0.586 1.00 0.00 C ATOM 22 CG ARG A 2 9.125 13.581 -1.050 1.00 0.00 C ATOM 23 CD ARG A 2 10.061 13.802 0.128 1.00 0.00 C ATOM 24 NE ARG A 2 10.641 15.142 0.127 1.00 0.00 N ATOM 25 CZ ARG A 2 11.167 15.718 1.205 1.00 0.00 C ATOM 26 NH1 ARG A 2 11.194 15.069 2.362 1.00 0.00 N ATOM 27 NH2 ARG A 2 11.668 16.943 1.126 1.00 0.00 N ATOM 0 H ARG A 2 5.179 13.532 -1.263 1.00 0.00 H new ATOM 0 HA ARG A 2 7.571 12.235 -2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.195 14.197 -0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.777 12.725 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.499 12.764 -1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.110 14.472 -1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.515 13.645 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.861 13.062 0.099 1.00 0.00 H new ATOM 0 HE ARG A 2 10.643 15.665 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.811 14.126 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.598 15.513 3.187 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.650 17.445 0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.071 17.384 1.953 1.00 0.00 H new ATOM 41 N VAL A 3 7.355 10.133 -0.854 1.00 0.00 N ATOM 42 CA VAL A 3 6.905 8.908 -0.263 1.00 0.00 C ATOM 43 C VAL A 3 8.049 8.069 0.266 1.00 0.00 C ATOM 44 O VAL A 3 9.220 8.355 0.039 1.00 0.00 O ATOM 45 CB VAL A 3 6.062 8.150 -1.302 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.250 6.669 -1.275 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.620 8.434 -1.087 1.00 0.00 C ATOM 0 H VAL A 3 8.326 10.150 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 3 6.290 9.134 0.608 1.00 0.00 H new ATOM 0 HB VAL A 3 6.406 8.506 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.621 6.208 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.295 6.431 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.971 6.285 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.029 7.894 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.331 8.113 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.441 9.504 -1.190 1.00 0.00 H new ATOM 57 N VAL A 4 7.697 7.020 0.973 1.00 0.00 N ATOM 58 CA VAL A 4 8.708 6.134 1.511 1.00 0.00 C ATOM 59 C VAL A 4 8.148 4.763 1.783 1.00 0.00 C ATOM 60 O VAL A 4 7.426 4.547 2.740 1.00 0.00 O ATOM 61 CB VAL A 4 9.389 6.690 2.774 1.00 0.00 C ATOM 62 CG1 VAL A 4 10.058 5.570 3.560 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.410 7.735 2.374 1.00 0.00 C ATOM 0 H VAL A 4 6.734 6.760 1.188 1.00 0.00 H new ATOM 0 HA VAL A 4 9.475 6.057 0.741 1.00 0.00 H new ATOM 0 HB VAL A 4 8.634 7.148 3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.534 5.983 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.309 4.836 3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.811 5.088 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.894 8.131 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.160 7.282 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.912 8.545 1.842 1.00 0.00 H new ATOM 73 N PHE A 5 8.538 3.841 0.943 1.00 0.00 N ATOM 74 CA PHE A 5 8.116 2.462 1.058 1.00 0.00 C ATOM 75 C PHE A 5 9.084 1.715 1.947 1.00 0.00 C ATOM 76 O PHE A 5 10.133 2.242 2.300 1.00 0.00 O ATOM 77 CB PHE A 5 8.172 1.790 -0.291 1.00 0.00 C ATOM 78 CG PHE A 5 7.116 2.171 -1.290 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.503 3.427 -1.319 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.768 1.249 -2.251 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.568 3.723 -2.295 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.851 1.533 -3.217 1.00 0.00 C ATOM 83 CZ PHE A 5 5.244 2.771 -3.250 1.00 0.00 C ATOM 0 H PHE A 5 9.160 4.022 0.155 1.00 0.00 H new ATOM 0 HA PHE A 5 7.103 2.448 1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.146 1.999 -0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.117 0.713 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.760 4.169 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.234 0.275 -2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.092 4.692 -2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.599 0.788 -3.958 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.519 2.998 -4.017 1.00 0.00 H new ATOM 93 N ILE A 6 8.736 0.483 2.271 1.00 0.00 N ATOM 94 CA ILE A 6 9.559 -0.364 3.087 1.00 0.00 C ATOM 95 C ILE A 6 9.264 -1.826 2.809 1.00 0.00 C ATOM 96 O ILE A 6 8.223 -2.161 2.245 1.00 0.00 O ATOM 97 CB ILE A 6 9.292 -0.077 4.546 1.00 0.00 C ATOM 98 CG1 ILE A 6 9.779 1.323 4.875 1.00 0.00 C ATOM 99 CG2 ILE A 6 9.960 -1.118 5.412 1.00 0.00 C ATOM 100 CD1 ILE A 6 8.684 2.356 4.993 1.00 0.00 C ATOM 0 H ILE A 6 7.865 0.047 1.968 1.00 0.00 H new ATOM 0 HA ILE A 6 10.603 -0.161 2.850 1.00 0.00 H new ATOM 0 HB ILE A 6 8.222 -0.126 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.333 1.290 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.479 1.641 4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.761 -0.901 6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.567 -2.104 5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.036 -1.102 5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.122 3.326 5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.144 2.423 4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.995 2.066 5.786 1.00 0.00 H new ATOM 112 N ASP A 7 10.182 -2.696 3.198 1.00 0.00 N ATOM 113 CA ASP A 7 9.996 -4.112 2.975 1.00 0.00 C ATOM 114 C ASP A 7 11.080 -4.929 3.671 1.00 0.00 C ATOM 115 O ASP A 7 11.972 -4.380 4.310 1.00 0.00 O ATOM 116 CB ASP A 7 9.979 -4.372 1.477 1.00 0.00 C ATOM 117 CG ASP A 7 9.305 -5.681 1.114 1.00 0.00 C ATOM 118 OD1 ASP A 7 9.130 -6.528 2.015 1.00 0.00 O ATOM 119 OD2 ASP A 7 8.950 -5.859 -0.071 1.00 0.00 O ATOM 0 H ASP A 7 11.054 -2.446 3.665 1.00 0.00 H new ATOM 0 HA ASP A 7 9.045 -4.426 3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.463 -3.552 0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.003 -4.380 1.103 1.00 0.00 H new ATOM 124 N GLU A 8 10.990 -6.244 3.543 1.00 0.00 N ATOM 125 CA GLU A 8 11.949 -7.147 4.156 1.00 0.00 C ATOM 126 C GLU A 8 13.136 -7.395 3.233 1.00 0.00 C ATOM 127 O GLU A 8 14.087 -8.083 3.601 1.00 0.00 O ATOM 128 CB GLU A 8 11.269 -8.472 4.498 1.00 0.00 C ATOM 129 CG GLU A 8 12.248 -9.577 4.833 1.00 0.00 C ATOM 130 CD GLU A 8 11.734 -10.508 5.914 1.00 0.00 C ATOM 131 OE1 GLU A 8 11.038 -11.487 5.572 1.00 0.00 O ATOM 132 OE2 GLU A 8 12.026 -10.257 7.102 1.00 0.00 O ATOM 0 H GLU A 8 10.254 -6.712 3.014 1.00 0.00 H new ATOM 0 HA GLU A 8 12.320 -6.683 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.599 -8.321 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.653 -8.785 3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.460 -10.154 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.190 -9.136 5.158 1.00 0.00 H new ATOM 139 N GLN A 9 13.076 -6.829 2.032 1.00 0.00 N ATOM 140 CA GLN A 9 14.148 -6.990 1.060 1.00 0.00 C ATOM 141 C GLN A 9 15.188 -5.887 1.223 1.00 0.00 C ATOM 142 O GLN A 9 16.375 -6.101 0.980 1.00 0.00 O ATOM 143 CB GLN A 9 13.582 -6.968 -0.363 1.00 0.00 C ATOM 144 CG GLN A 9 12.973 -8.292 -0.795 1.00 0.00 C ATOM 145 CD GLN A 9 14.021 -9.350 -1.079 1.00 0.00 C ATOM 146 OE1 GLN A 9 14.573 -9.955 -0.161 1.00 0.00 O ATOM 147 NE2 GLN A 9 14.302 -9.575 -2.357 1.00 0.00 N ATOM 0 H GLN A 9 12.296 -6.255 1.710 1.00 0.00 H new ATOM 0 HA GLN A 9 14.629 -7.952 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.823 -6.189 -0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.378 -6.700 -1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.302 -8.651 -0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.368 -8.135 -1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.819 -9.049 -3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 9 15.001 -10.274 -2.610 1.00 0.00 H new ATOM 156 N SER A 10 14.733 -4.708 1.636 1.00 0.00 N ATOM 157 CA SER A 10 15.627 -3.574 1.830 1.00 0.00 C ATOM 158 C SER A 10 15.279 -2.791 3.096 1.00 0.00 C ATOM 159 O SER A 10 15.903 -1.772 3.390 1.00 0.00 O ATOM 160 CB SER A 10 15.572 -2.646 0.615 1.00 0.00 C ATOM 161 OG SER A 10 16.791 -1.942 0.457 1.00 0.00 O ATOM 0 H SER A 10 13.753 -4.514 1.842 1.00 0.00 H new ATOM 0 HA SER A 10 16.638 -3.966 1.944 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.366 -3.229 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.752 -1.938 0.731 1.00 0.00 H new ATOM 0 HG SER A 10 17.073 -1.578 1.322 1.00 0.00 H new ATOM 167 N GLY A 11 14.283 -3.264 3.845 1.00 0.00 N ATOM 168 CA GLY A 11 13.892 -2.576 5.064 1.00 0.00 C ATOM 169 C GLY A 11 13.584 -1.112 4.830 1.00 0.00 C ATOM 170 O GLY A 11 13.566 -0.311 5.765 1.00 0.00 O ATOM 0 H GLY A 11 13.745 -4.104 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.015 -3.065 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.692 -2.663 5.799 1.00 0.00 H new ATOM 174 N GLU A 12 13.338 -0.772 3.575 1.00 0.00 N ATOM 175 CA GLU A 12 13.020 0.598 3.190 1.00 0.00 C ATOM 176 C GLU A 12 13.058 0.752 1.683 1.00 0.00 C ATOM 177 O GLU A 12 13.903 0.169 1.002 1.00 0.00 O ATOM 178 CB GLU A 12 13.986 1.591 3.827 1.00 0.00 C ATOM 179 CG GLU A 12 14.002 2.937 3.119 1.00 0.00 C ATOM 180 CD GLU A 12 14.898 3.953 3.801 1.00 0.00 C ATOM 181 OE1 GLU A 12 15.073 3.857 5.034 1.00 0.00 O ATOM 182 OE2 GLU A 12 15.425 4.843 3.102 1.00 0.00 O ATOM 0 H GLU A 12 13.352 -1.432 2.797 1.00 0.00 H new ATOM 0 HA GLU A 12 12.013 0.812 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.711 1.739 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.991 1.169 3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.337 2.797 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.986 3.329 3.073 1.00 0.00 H new ATOM 189 N TYR A 13 12.131 1.538 1.173 1.00 0.00 N ATOM 190 CA TYR A 13 12.036 1.779 -0.251 1.00 0.00 C ATOM 191 C TYR A 13 11.574 3.211 -0.518 1.00 0.00 C ATOM 192 O TYR A 13 10.582 3.449 -1.207 1.00 0.00 O ATOM 193 CB TYR A 13 11.089 0.755 -0.859 1.00 0.00 C ATOM 194 CG TYR A 13 11.706 -0.618 -0.956 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.939 -1.377 0.185 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.075 -1.151 -2.182 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.521 -2.634 0.106 1.00 0.00 C ATOM 198 CE2 TYR A 13 12.661 -2.394 -2.278 1.00 0.00 C ATOM 199 CZ TYR A 13 12.884 -3.137 -1.132 1.00 0.00 C ATOM 200 OH TYR A 13 13.470 -4.378 -1.223 1.00 0.00 O ATOM 0 H TYR A 13 11.428 2.024 1.730 1.00 0.00 H new ATOM 0 HA TYR A 13 13.015 1.668 -0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.183 0.700 -0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.791 1.087 -1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.662 -0.981 1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.899 -0.579 -3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.689 -3.214 1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.945 -2.787 -3.243 1.00 0.00 H new ATOM 0 HH TYR A 13 13.661 -4.581 -2.162 1.00 0.00 H new ATOM 210 N ALA A 14 12.316 4.156 0.054 1.00 0.00 N ATOM 211 CA ALA A 14 12.029 5.588 -0.077 1.00 0.00 C ATOM 212 C ALA A 14 11.692 5.973 -1.506 1.00 0.00 C ATOM 213 O ALA A 14 12.251 5.432 -2.460 1.00 0.00 O ATOM 214 CB ALA A 14 13.212 6.403 0.420 1.00 0.00 C ATOM 0 H ALA A 14 13.137 3.953 0.624 1.00 0.00 H new ATOM 0 HA ALA A 14 11.153 5.806 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.990 7.465 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.400 6.170 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.095 6.159 -0.170 1.00 0.00 H new ATOM 220 N VAL A 15 10.758 6.909 -1.643 1.00 0.00 N ATOM 221 CA VAL A 15 10.330 7.361 -2.948 1.00 0.00 C ATOM 222 C VAL A 15 9.449 8.591 -2.862 1.00 0.00 C ATOM 223 O VAL A 15 9.492 9.357 -1.905 1.00 0.00 O ATOM 224 CB VAL A 15 9.594 6.223 -3.678 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.168 6.025 -3.162 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.608 6.434 -5.186 1.00 0.00 C ATOM 0 H VAL A 15 10.287 7.365 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 15 11.219 7.641 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 15 10.140 5.305 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.693 5.211 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.196 5.780 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.598 6.942 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.081 5.614 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.115 7.376 -5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.639 6.463 -5.540 1.00 0.00 H new ATOM 236 N ASP A 16 8.669 8.765 -3.887 1.00 0.00 N ATOM 237 CA ASP A 16 7.765 9.854 -4.011 1.00 0.00 C ATOM 238 C ASP A 16 6.690 9.442 -4.964 1.00 0.00 C ATOM 239 O ASP A 16 6.835 8.469 -5.697 1.00 0.00 O ATOM 240 CB ASP A 16 8.444 11.064 -4.588 1.00 0.00 C ATOM 241 CG ASP A 16 9.903 11.178 -4.191 1.00 0.00 C ATOM 242 OD1 ASP A 16 10.184 11.302 -2.982 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.766 11.145 -5.094 1.00 0.00 O ATOM 0 H ASP A 16 8.649 8.128 -4.683 1.00 0.00 H new ATOM 0 HA ASP A 16 7.375 10.104 -3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.372 11.029 -5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.915 11.959 -4.262 1.00 0.00 H new ATOM 248 N ALA A 17 5.619 10.164 -4.951 1.00 0.00 N ATOM 249 CA ALA A 17 4.526 9.843 -5.814 1.00 0.00 C ATOM 250 C ALA A 17 3.903 11.086 -6.421 1.00 0.00 C ATOM 251 O ALA A 17 4.433 12.189 -6.296 1.00 0.00 O ATOM 252 CB ALA A 17 3.544 9.065 -4.996 1.00 0.00 C ATOM 0 H ALA A 17 5.475 10.979 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 17 4.868 9.250 -6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.688 8.796 -5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.020 8.159 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.208 9.673 -4.156 1.00 0.00 H new ATOM 258 N GLN A 18 2.776 10.893 -7.081 1.00 0.00 N ATOM 259 CA GLN A 18 2.057 11.988 -7.721 1.00 0.00 C ATOM 260 C GLN A 18 0.556 11.733 -7.673 1.00 0.00 C ATOM 261 O GLN A 18 0.088 10.676 -8.097 1.00 0.00 O ATOM 262 CB GLN A 18 2.519 12.151 -9.171 1.00 0.00 C ATOM 263 CG GLN A 18 4.031 12.135 -9.330 1.00 0.00 C ATOM 264 CD GLN A 18 4.476 12.482 -10.737 1.00 0.00 C ATOM 265 OE1 GLN A 18 3.722 13.072 -11.512 1.00 0.00 O ATOM 266 NE2 GLN A 18 5.707 12.117 -11.075 1.00 0.00 N ATOM 0 H GLN A 18 2.333 9.981 -7.190 1.00 0.00 H new ATOM 0 HA GLN A 18 2.273 12.909 -7.180 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.090 11.350 -9.773 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.130 13.090 -9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.473 12.843 -8.629 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.409 11.147 -9.067 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.298 11.630 -10.401 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.062 12.324 -12.009 1.00 0.00 H new ATOM 275 N ASP A 19 -0.196 12.699 -7.146 1.00 0.00 N ATOM 276 CA ASP A 19 -1.645 12.560 -7.043 1.00 0.00 C ATOM 277 C ASP A 19 -2.191 11.816 -8.248 1.00 0.00 C ATOM 278 O ASP A 19 -2.177 12.319 -9.372 1.00 0.00 O ATOM 279 CB ASP A 19 -2.316 13.923 -6.885 1.00 0.00 C ATOM 280 CG ASP A 19 -1.604 14.810 -5.882 1.00 0.00 C ATOM 281 OD1 ASP A 19 -1.519 14.419 -4.699 1.00 0.00 O ATOM 282 OD2 ASP A 19 -1.130 15.895 -6.280 1.00 0.00 O ATOM 0 H ASP A 19 0.172 13.580 -6.787 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.872 11.977 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.344 14.424 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.350 13.781 -6.569 1.00 0.00 H new ATOM 287 N GLY A 20 -2.642 10.598 -7.996 1.00 0.00 N ATOM 288 CA GLY A 20 -3.160 9.759 -9.050 1.00 0.00 C ATOM 289 C GLY A 20 -2.386 8.461 -9.156 1.00 0.00 C ATOM 290 O GLY A 20 -2.700 7.610 -9.987 1.00 0.00 O ATOM 0 H GLY A 20 -2.657 10.173 -7.069 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.211 9.543 -8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.110 10.292 -9.999 1.00 0.00 H new ATOM 294 N GLN A 21 -1.373 8.302 -8.298 1.00 0.00 N ATOM 295 CA GLN A 21 -0.563 7.092 -8.294 1.00 0.00 C ATOM 296 C GLN A 21 -0.753 6.337 -6.988 1.00 0.00 C ATOM 297 O GLN A 21 -1.028 6.935 -5.949 1.00 0.00 O ATOM 298 CB GLN A 21 0.911 7.437 -8.478 1.00 0.00 C ATOM 299 CG GLN A 21 1.235 8.036 -9.836 1.00 0.00 C ATOM 300 CD GLN A 21 2.493 8.884 -9.823 1.00 0.00 C ATOM 301 OE1 GLN A 21 2.761 9.629 -10.765 1.00 0.00 O ATOM 302 NE2 GLN A 21 3.278 8.774 -8.756 1.00 0.00 N ATOM 0 H GLN A 21 -1.100 8.996 -7.602 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.884 6.461 -9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.210 8.140 -7.700 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.506 6.535 -8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.352 7.232 -10.563 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.395 8.646 -10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.020 8.145 -7.996 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.138 9.319 -8.697 1.00 0.00 H new ATOM 311 N SER A 22 -0.604 5.024 -7.043 1.00 0.00 N ATOM 312 CA SER A 22 -0.761 4.195 -5.858 1.00 0.00 C ATOM 313 C SER A 22 0.602 3.831 -5.272 1.00 0.00 C ATOM 314 O SER A 22 1.632 4.026 -5.917 1.00 0.00 O ATOM 315 CB SER A 22 -1.535 2.920 -6.211 1.00 0.00 C ATOM 316 OG SER A 22 -0.682 1.956 -6.805 1.00 0.00 O ATOM 0 H SER A 22 -0.375 4.509 -7.893 1.00 0.00 H new ATOM 0 HA SER A 22 -1.320 4.760 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.988 2.504 -5.311 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.348 3.162 -6.895 1.00 0.00 H new ATOM 0 HG SER A 22 -1.220 1.304 -7.301 1.00 0.00 H new ATOM 322 N LEU A 23 0.603 3.283 -4.056 1.00 0.00 N ATOM 323 CA LEU A 23 1.852 2.876 -3.412 1.00 0.00 C ATOM 324 C LEU A 23 2.348 1.564 -4.007 1.00 0.00 C ATOM 325 O LEU A 23 3.382 1.036 -3.601 1.00 0.00 O ATOM 326 CB LEU A 23 1.669 2.739 -1.901 1.00 0.00 C ATOM 327 CG LEU A 23 1.541 4.064 -1.149 1.00 0.00 C ATOM 328 CD1 LEU A 23 0.781 5.083 -1.984 1.00 0.00 C ATOM 329 CD2 LEU A 23 0.853 3.848 0.186 1.00 0.00 C ATOM 0 H LEU A 23 -0.237 3.112 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 23 2.598 3.650 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.778 2.141 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.517 2.187 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 23 2.542 4.454 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.701 6.019 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.314 5.258 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.217 4.703 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.769 4.800 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.142 3.436 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.438 3.153 0.788 1.00 0.00 H new ATOM 341 N MET A 24 1.615 1.055 -4.992 1.00 0.00 N ATOM 342 CA MET A 24 1.993 -0.172 -5.669 1.00 0.00 C ATOM 343 C MET A 24 2.788 0.184 -6.913 1.00 0.00 C ATOM 344 O MET A 24 3.739 -0.505 -7.285 1.00 0.00 O ATOM 345 CB MET A 24 0.754 -0.986 -6.051 1.00 0.00 C ATOM 346 CG MET A 24 1.046 -2.124 -7.016 1.00 0.00 C ATOM 347 SD MET A 24 -0.250 -2.336 -8.252 1.00 0.00 S ATOM 348 CE MET A 24 0.345 -1.262 -9.556 1.00 0.00 C ATOM 0 H MET A 24 0.753 1.478 -5.337 1.00 0.00 H new ATOM 0 HA MET A 24 2.600 -0.781 -5.000 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.305 -1.395 -5.146 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.017 -0.320 -6.500 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.995 -1.935 -7.519 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.162 -3.051 -6.454 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.352 -1.286 -10.394 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.425 -0.242 -9.179 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.325 -1.603 -9.890 1.00 0.00 H new ATOM 358 N GLU A 25 2.384 1.280 -7.545 1.00 0.00 N ATOM 359 CA GLU A 25 3.047 1.763 -8.746 1.00 0.00 C ATOM 360 C GLU A 25 4.320 2.500 -8.408 1.00 0.00 C ATOM 361 O GLU A 25 5.330 2.317 -9.087 1.00 0.00 O ATOM 362 CB GLU A 25 2.114 2.657 -9.564 1.00 0.00 C ATOM 363 CG GLU A 25 2.660 3.008 -10.939 1.00 0.00 C ATOM 364 CD GLU A 25 1.899 2.327 -12.059 1.00 0.00 C ATOM 365 OE1 GLU A 25 0.760 1.876 -11.815 1.00 0.00 O ATOM 366 OE2 GLU A 25 2.442 2.243 -13.181 1.00 0.00 O ATOM 0 H GLU A 25 1.596 1.852 -7.242 1.00 0.00 H new ATOM 0 HA GLU A 25 3.308 0.894 -9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.153 2.155 -9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.928 3.577 -9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.616 4.088 -11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.711 2.723 -10.992 1.00 0.00 H new ATOM 373 N VAL A 26 4.316 3.313 -7.354 1.00 0.00 N ATOM 374 CA VAL A 26 5.547 3.993 -7.009 1.00 0.00 C ATOM 375 C VAL A 26 6.641 2.953 -6.976 1.00 0.00 C ATOM 376 O VAL A 26 7.635 3.030 -7.684 1.00 0.00 O ATOM 377 CB VAL A 26 5.549 4.712 -5.652 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.296 5.998 -5.804 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.178 4.988 -5.123 1.00 0.00 C ATOM 0 H VAL A 26 3.514 3.507 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 26 5.687 4.770 -7.760 1.00 0.00 H new ATOM 0 HB VAL A 26 6.028 4.052 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.310 6.526 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.319 5.790 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.805 6.617 -6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.254 5.497 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.637 5.620 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.642 4.048 -4.994 1.00 0.00 H new ATOM 389 N ALA A 27 6.400 1.961 -6.143 1.00 0.00 N ATOM 390 CA ALA A 27 7.310 0.847 -5.960 1.00 0.00 C ATOM 391 C ALA A 27 8.153 0.583 -7.194 1.00 0.00 C ATOM 392 O ALA A 27 9.351 0.867 -7.221 1.00 0.00 O ATOM 393 CB ALA A 27 6.534 -0.419 -5.633 1.00 0.00 C ATOM 0 H ALA A 27 5.559 1.904 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 27 7.972 1.118 -5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.229 -1.247 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.965 -0.270 -4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.851 -0.648 -6.451 1.00 0.00 H new ATOM 399 N THR A 28 7.520 0.011 -8.207 1.00 0.00 N ATOM 400 CA THR A 28 8.214 -0.322 -9.440 1.00 0.00 C ATOM 401 C THR A 28 9.032 0.869 -9.913 1.00 0.00 C ATOM 402 O THR A 28 10.098 0.708 -10.506 1.00 0.00 O ATOM 403 CB THR A 28 7.230 -0.751 -10.535 1.00 0.00 C ATOM 404 OG1 THR A 28 7.022 0.301 -11.459 1.00 0.00 O ATOM 405 CG2 THR A 28 5.873 -1.181 -10.019 1.00 0.00 C ATOM 0 H THR A 28 6.529 -0.231 -8.199 1.00 0.00 H new ATOM 0 HA THR A 28 8.880 -1.161 -9.237 1.00 0.00 H new ATOM 0 HB THR A 28 7.699 -1.615 -11.005 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.393 0.009 -12.151 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.239 -1.468 -10.858 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.992 -2.031 -9.347 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.410 -0.354 -9.480 1.00 0.00 H new ATOM 413 N GLN A 29 8.533 2.066 -9.629 1.00 0.00 N ATOM 414 CA GLN A 29 9.235 3.287 -10.012 1.00 0.00 C ATOM 415 C GLN A 29 10.395 3.569 -9.058 1.00 0.00 C ATOM 416 O GLN A 29 11.405 4.154 -9.447 1.00 0.00 O ATOM 417 CB GLN A 29 8.275 4.481 -10.046 1.00 0.00 C ATOM 418 CG GLN A 29 7.281 4.432 -11.196 1.00 0.00 C ATOM 419 CD GLN A 29 7.545 5.499 -12.240 1.00 0.00 C ATOM 420 OE1 GLN A 29 8.183 5.242 -13.260 1.00 0.00 O ATOM 421 NE2 GLN A 29 7.052 6.707 -11.989 1.00 0.00 N ATOM 0 H GLN A 29 7.652 2.218 -9.139 1.00 0.00 H new ATOM 0 HA GLN A 29 9.639 3.140 -11.014 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.727 4.522 -9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.855 5.401 -10.118 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.324 3.450 -11.667 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.271 4.554 -10.804 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.529 6.876 -11.130 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.197 7.466 -12.655 1.00 0.00 H new ATOM 430 N ASN A 30 10.235 3.152 -7.807 1.00 0.00 N ATOM 431 CA ASN A 30 11.259 3.359 -6.780 1.00 0.00 C ATOM 432 C ASN A 30 12.258 2.204 -6.748 1.00 0.00 C ATOM 433 O ASN A 30 13.117 2.141 -5.868 1.00 0.00 O ATOM 434 CB ASN A 30 10.596 3.474 -5.402 1.00 0.00 C ATOM 435 CG ASN A 30 9.106 3.733 -5.509 1.00 0.00 C ATOM 436 OD1 ASN A 30 8.667 4.449 -6.402 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.328 3.180 -4.594 1.00 0.00 N ATOM 0 H ASN A 30 9.402 2.666 -7.475 1.00 0.00 H new ATOM 0 HA ASN A 30 11.792 4.278 -7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.765 2.555 -4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.065 4.282 -4.840 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.321 3.343 -4.614 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.735 2.590 -3.868 1.00 0.00 H new ATOM 444 N GLY A 31 12.120 1.275 -7.685 1.00 0.00 N ATOM 445 CA GLY A 31 12.997 0.117 -7.710 1.00 0.00 C ATOM 446 C GLY A 31 12.454 -0.991 -6.825 1.00 0.00 C ATOM 447 O GLY A 31 12.912 -2.132 -6.877 1.00 0.00 O ATOM 0 H GLY A 31 11.420 1.301 -8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.099 -0.246 -8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.993 0.403 -7.373 1.00 0.00 H new ATOM 451 N VAL A 32 11.457 -0.631 -6.021 1.00 0.00 N ATOM 452 CA VAL A 32 10.795 -1.553 -5.111 1.00 0.00 C ATOM 453 C VAL A 32 10.380 -2.824 -5.851 1.00 0.00 C ATOM 454 O VAL A 32 10.299 -2.841 -7.079 1.00 0.00 O ATOM 455 CB VAL A 32 9.553 -0.860 -4.497 1.00 0.00 C ATOM 456 CG1 VAL A 32 9.080 -1.493 -3.210 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.824 0.608 -4.245 1.00 0.00 C ATOM 0 H VAL A 32 11.085 0.318 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 32 11.485 -1.831 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 32 8.761 -0.982 -5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.208 -0.955 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.814 -2.534 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.877 -1.448 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.937 1.073 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.660 0.710 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.070 1.099 -5.186 1.00 0.00 H new ATOM 467 N PRO A 33 10.129 -3.908 -5.108 1.00 0.00 N ATOM 468 CA PRO A 33 9.738 -5.204 -5.667 1.00 0.00 C ATOM 469 C PRO A 33 8.337 -5.161 -6.275 1.00 0.00 C ATOM 470 O PRO A 33 7.874 -6.134 -6.869 1.00 0.00 O ATOM 471 CB PRO A 33 9.815 -6.143 -4.442 1.00 0.00 C ATOM 472 CG PRO A 33 10.625 -5.374 -3.444 1.00 0.00 C ATOM 473 CD PRO A 33 10.217 -3.972 -3.657 1.00 0.00 C ATOM 0 HA PRO A 33 10.375 -5.528 -6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.823 -6.376 -4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.290 -7.091 -4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.417 -5.700 -2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.694 -5.508 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.264 -3.746 -3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.948 -3.268 -3.260 1.00 0.00 H new ATOM 481 N GLY A 34 7.683 -4.010 -6.135 1.00 0.00 N ATOM 482 CA GLY A 34 6.353 -3.823 -6.684 1.00 0.00 C ATOM 483 C GLY A 34 5.532 -5.091 -6.694 1.00 0.00 C ATOM 484 O GLY A 34 5.253 -5.644 -7.757 1.00 0.00 O ATOM 0 H GLY A 34 8.057 -3.197 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.830 -3.063 -6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.437 -3.444 -7.702 1.00 0.00 H new ATOM 488 N ILE A 35 5.142 -5.545 -5.510 1.00 0.00 N ATOM 489 CA ILE A 35 4.335 -6.757 -5.383 1.00 0.00 C ATOM 490 C ILE A 35 3.375 -6.892 -6.562 1.00 0.00 C ATOM 491 O ILE A 35 2.264 -6.363 -6.534 1.00 0.00 O ATOM 492 CB ILE A 35 3.516 -6.766 -4.076 1.00 0.00 C ATOM 493 CG1 ILE A 35 4.283 -6.069 -2.951 1.00 0.00 C ATOM 494 CG2 ILE A 35 3.169 -8.194 -3.679 1.00 0.00 C ATOM 495 CD1 ILE A 35 3.651 -6.251 -1.589 1.00 0.00 C ATOM 0 H ILE A 35 5.370 -5.095 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 35 5.030 -7.597 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 35 2.590 -6.217 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.303 -6.454 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.350 -5.004 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.591 -8.185 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.581 -8.659 -4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.086 -8.763 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.247 -5.731 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.641 -5.841 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.609 -7.313 -1.346 1.00 0.00 H new ATOM 507 N VAL A 36 3.820 -7.587 -7.603 1.00 0.00 N ATOM 508 CA VAL A 36 3.009 -7.776 -8.802 1.00 0.00 C ATOM 509 C VAL A 36 1.691 -8.480 -8.489 1.00 0.00 C ATOM 510 O VAL A 36 0.626 -7.865 -8.530 1.00 0.00 O ATOM 511 CB VAL A 36 3.767 -8.577 -9.880 1.00 0.00 C ATOM 512 CG1 VAL A 36 4.617 -7.649 -10.734 1.00 0.00 C ATOM 513 CG2 VAL A 36 4.626 -9.662 -9.246 1.00 0.00 C ATOM 0 H VAL A 36 4.738 -8.029 -7.642 1.00 0.00 H new ATOM 0 HA VAL A 36 2.794 -6.779 -9.186 1.00 0.00 H new ATOM 0 HB VAL A 36 3.033 -9.061 -10.524 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.145 -8.231 -11.489 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.976 -6.916 -11.223 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.340 -7.134 -10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.151 -10.213 -10.026 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.352 -9.205 -8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.991 -10.346 -8.683 1.00 0.00 H new ATOM 523 N ALA A 37 1.767 -9.772 -8.187 1.00 0.00 N ATOM 524 CA ALA A 37 0.577 -10.557 -7.879 1.00 0.00 C ATOM 525 C ALA A 37 -0.058 -11.100 -9.155 1.00 0.00 C ATOM 526 O ALA A 37 0.544 -11.050 -10.227 1.00 0.00 O ATOM 527 CB ALA A 37 -0.426 -9.720 -7.099 1.00 0.00 C ATOM 0 H ALA A 37 2.640 -10.298 -8.149 1.00 0.00 H new ATOM 0 HA ALA A 37 0.877 -11.403 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.308 -10.321 -6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.028 -9.384 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.717 -8.854 -7.693 1.00 0.00 H new ATOM 533 N GLU A 38 -1.274 -11.620 -9.033 1.00 0.00 N ATOM 534 CA GLU A 38 -1.983 -12.175 -10.181 1.00 0.00 C ATOM 535 C GLU A 38 -2.736 -11.088 -10.941 1.00 0.00 C ATOM 536 O GLU A 38 -2.505 -10.876 -12.131 1.00 0.00 O ATOM 537 CB GLU A 38 -2.959 -13.263 -9.731 1.00 0.00 C ATOM 538 CG GLU A 38 -2.322 -14.333 -8.859 1.00 0.00 C ATOM 539 CD GLU A 38 -3.228 -15.532 -8.655 1.00 0.00 C ATOM 540 OE1 GLU A 38 -4.236 -15.646 -9.383 1.00 0.00 O ATOM 541 OE2 GLU A 38 -2.929 -16.357 -7.765 1.00 0.00 O ATOM 0 H GLU A 38 -1.789 -11.669 -8.154 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.242 -12.613 -10.850 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.778 -12.799 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.393 -13.736 -10.612 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.388 -14.661 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.069 -13.904 -7.890 1.00 0.00 H new ATOM 548 N CYS A 39 -3.641 -10.404 -10.248 1.00 0.00 N ATOM 549 CA CYS A 39 -4.431 -9.343 -10.864 1.00 0.00 C ATOM 550 C CYS A 39 -3.530 -8.228 -11.391 1.00 0.00 C ATOM 551 O CYS A 39 -3.803 -7.642 -12.440 1.00 0.00 O ATOM 552 CB CYS A 39 -5.452 -8.795 -9.856 1.00 0.00 C ATOM 553 SG CYS A 39 -4.963 -7.245 -9.023 1.00 0.00 S ATOM 0 H CYS A 39 -3.845 -10.565 -9.262 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.972 -9.760 -11.714 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.397 -8.629 -10.373 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.634 -9.556 -9.097 1.00 0.00 H new ATOM 558 N GLY A 40 -2.457 -7.948 -10.658 1.00 0.00 N ATOM 559 CA GLY A 40 -1.520 -6.911 -11.059 1.00 0.00 C ATOM 560 C GLY A 40 -2.182 -5.771 -11.812 1.00 0.00 C ATOM 561 O GLY A 40 -1.860 -5.518 -12.973 1.00 0.00 O ATOM 0 H GLY A 40 -2.218 -8.423 -9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.025 -6.514 -10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.745 -7.352 -11.686 1.00 0.00 H new ATOM 565 N GLY A 41 -3.101 -5.076 -11.150 1.00 0.00 N ATOM 566 CA GLY A 41 -3.785 -3.963 -11.784 1.00 0.00 C ATOM 567 C GLY A 41 -5.128 -4.355 -12.370 1.00 0.00 C ATOM 568 O GLY A 41 -5.597 -3.745 -13.331 1.00 0.00 O ATOM 0 H GLY A 41 -3.384 -5.263 -10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.931 -3.168 -11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.154 -3.557 -12.574 1.00 0.00 H new ATOM 572 N SER A 42 -5.749 -5.376 -11.790 1.00 0.00 N ATOM 573 CA SER A 42 -7.046 -5.851 -12.259 1.00 0.00 C ATOM 574 C SER A 42 -7.985 -6.126 -11.087 1.00 0.00 C ATOM 575 O SER A 42 -9.079 -6.658 -11.272 1.00 0.00 O ATOM 576 CB SER A 42 -6.874 -7.121 -13.095 1.00 0.00 C ATOM 577 OG SER A 42 -6.544 -6.811 -14.437 1.00 0.00 O ATOM 0 H SER A 42 -5.375 -5.891 -10.993 1.00 0.00 H new ATOM 0 HA SER A 42 -7.487 -5.070 -12.878 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.091 -7.743 -12.660 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.795 -7.704 -13.070 1.00 0.00 H new ATOM 0 HG SER A 42 -6.438 -7.641 -14.948 1.00 0.00 H new ATOM 583 N CYS A 43 -7.550 -5.766 -9.883 1.00 0.00 N ATOM 584 CA CYS A 43 -8.354 -5.979 -8.685 1.00 0.00 C ATOM 585 C CYS A 43 -8.997 -7.362 -8.700 1.00 0.00 C ATOM 586 O CYS A 43 -10.214 -7.491 -8.839 1.00 0.00 O ATOM 587 CB CYS A 43 -9.435 -4.904 -8.566 1.00 0.00 C ATOM 588 SG CYS A 43 -10.238 -4.845 -6.947 1.00 0.00 S ATOM 0 H CYS A 43 -6.646 -5.326 -9.712 1.00 0.00 H new ATOM 0 HA CYS A 43 -7.692 -5.913 -7.821 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.990 -3.931 -8.775 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.193 -5.079 -9.330 1.00 0.00 H new ATOM 0 HG CYS A 43 -11.135 -3.904 -6.942 1.00 0.00 H new ATOM 594 N VAL A 44 -8.170 -8.392 -8.558 1.00 0.00 N ATOM 595 CA VAL A 44 -8.651 -9.770 -8.557 1.00 0.00 C ATOM 596 C VAL A 44 -7.791 -10.656 -7.658 1.00 0.00 C ATOM 597 O VAL A 44 -7.885 -11.882 -7.710 1.00 0.00 O ATOM 598 CB VAL A 44 -8.661 -10.362 -9.978 1.00 0.00 C ATOM 599 CG1 VAL A 44 -9.365 -11.711 -9.992 1.00 0.00 C ATOM 600 CG2 VAL A 44 -9.319 -9.400 -10.956 1.00 0.00 C ATOM 0 H VAL A 44 -7.161 -8.299 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.670 -9.746 -8.171 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.629 -10.513 -10.293 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.361 -12.113 -11.005 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.845 -12.400 -9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.394 -11.588 -9.654 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.316 -9.837 -11.954 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.347 -9.212 -10.646 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.766 -8.461 -10.970 1.00 0.00 H new ATOM 610 N CYS A 45 -6.954 -10.031 -6.835 1.00 0.00 N ATOM 611 CA CYS A 45 -6.082 -10.770 -5.928 1.00 0.00 C ATOM 612 C CYS A 45 -6.008 -10.086 -4.567 1.00 0.00 C ATOM 613 O CYS A 45 -6.630 -9.046 -4.350 1.00 0.00 O ATOM 614 CB CYS A 45 -4.679 -10.913 -6.533 1.00 0.00 C ATOM 615 SG CYS A 45 -3.515 -9.579 -6.088 1.00 0.00 S ATOM 0 H CYS A 45 -6.861 -9.017 -6.778 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.504 -11.765 -5.786 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.257 -11.866 -6.215 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.769 -10.951 -7.619 1.00 0.00 H new ATOM 620 N ALA A 46 -5.246 -10.676 -3.654 1.00 0.00 N ATOM 621 CA ALA A 46 -5.094 -10.123 -2.313 1.00 0.00 C ATOM 622 C ALA A 46 -3.679 -10.338 -1.786 1.00 0.00 C ATOM 623 O ALA A 46 -3.454 -10.365 -0.576 1.00 0.00 O ATOM 624 CB ALA A 46 -6.112 -10.746 -1.369 1.00 0.00 C ATOM 0 H ALA A 46 -4.724 -11.537 -3.817 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.273 -9.049 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.988 -10.325 -0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.119 -10.535 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.959 -11.824 -1.329 1.00 0.00 H new ATOM 630 N THR A 47 -2.728 -10.492 -2.702 1.00 0.00 N ATOM 631 CA THR A 47 -1.334 -10.707 -2.329 1.00 0.00 C ATOM 632 C THR A 47 -0.574 -9.385 -2.256 1.00 0.00 C ATOM 633 O THR A 47 0.585 -9.347 -1.843 1.00 0.00 O ATOM 634 CB THR A 47 -0.654 -11.643 -3.328 1.00 0.00 C ATOM 635 OG1 THR A 47 -0.159 -10.917 -4.439 1.00 0.00 O ATOM 636 CG2 THR A 47 -1.572 -12.722 -3.857 1.00 0.00 C ATOM 0 H THR A 47 -2.897 -10.472 -3.708 1.00 0.00 H new ATOM 0 HA THR A 47 -1.319 -11.167 -1.341 1.00 0.00 H new ATOM 0 HB THR A 47 0.156 -12.117 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.274 -11.533 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.027 -13.351 -4.561 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.932 -13.332 -3.028 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.420 -12.262 -4.364 1.00 0.00 H new ATOM 644 N CYS A 48 -1.234 -8.301 -2.656 1.00 0.00 N ATOM 645 CA CYS A 48 -0.618 -6.980 -2.631 1.00 0.00 C ATOM 646 C CYS A 48 -0.851 -6.302 -1.288 1.00 0.00 C ATOM 647 O CYS A 48 -0.783 -5.078 -1.181 1.00 0.00 O ATOM 648 CB CYS A 48 -1.182 -6.110 -3.751 1.00 0.00 C ATOM 649 SG CYS A 48 -2.954 -5.738 -3.572 1.00 0.00 S ATOM 0 H CYS A 48 -2.194 -8.313 -3.001 1.00 0.00 H new ATOM 0 HA CYS A 48 0.455 -7.104 -2.780 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.626 -5.173 -3.786 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.020 -6.612 -4.705 1.00 0.00 H new ATOM 654 N ARG A 49 -1.130 -7.107 -0.268 1.00 0.00 N ATOM 655 CA ARG A 49 -1.378 -6.589 1.073 1.00 0.00 C ATOM 656 C ARG A 49 -0.267 -5.639 1.506 1.00 0.00 C ATOM 657 O ARG A 49 0.662 -6.036 2.209 1.00 0.00 O ATOM 658 CB ARG A 49 -1.496 -7.741 2.074 1.00 0.00 C ATOM 659 CG ARG A 49 -2.536 -8.780 1.688 1.00 0.00 C ATOM 660 CD ARG A 49 -3.378 -9.192 2.885 1.00 0.00 C ATOM 661 NE ARG A 49 -2.588 -9.257 4.112 1.00 0.00 N ATOM 662 CZ ARG A 49 -1.949 -10.347 4.526 1.00 0.00 C ATOM 663 NH1 ARG A 49 -2.002 -11.465 3.814 1.00 0.00 N ATOM 664 NH2 ARG A 49 -1.252 -10.319 5.654 1.00 0.00 N ATOM 0 H ARG A 49 -1.190 -8.122 -0.345 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.317 -6.035 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.526 -8.229 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.747 -7.335 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.182 -8.378 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.040 -9.656 1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.194 -8.481 3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.830 -10.165 2.693 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.523 -8.416 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.535 -11.491 2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.510 -12.298 4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.206 -9.461 6.204 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.762 -11.155 5.972 1.00 0.00 H new ATOM 678 N ILE A 50 -0.370 -4.382 1.087 1.00 0.00 N ATOM 679 CA ILE A 50 0.624 -3.378 1.438 1.00 0.00 C ATOM 680 C ILE A 50 0.347 -2.812 2.824 1.00 0.00 C ATOM 681 O ILE A 50 -0.788 -2.841 3.299 1.00 0.00 O ATOM 682 CB ILE A 50 0.653 -2.227 0.416 1.00 0.00 C ATOM 683 CG1 ILE A 50 1.964 -1.448 0.530 1.00 0.00 C ATOM 684 CG2 ILE A 50 -0.541 -1.303 0.618 1.00 0.00 C ATOM 685 CD1 ILE A 50 3.187 -2.271 0.185 1.00 0.00 C ATOM 0 H ILE A 50 -1.132 -4.036 0.504 1.00 0.00 H new ATOM 0 HA ILE A 50 1.596 -3.872 1.432 1.00 0.00 H new ATOM 0 HB ILE A 50 0.590 -2.651 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.921 -0.581 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.065 -1.070 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.504 -0.495 -0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.464 -1.868 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.511 -0.884 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.081 -1.655 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.254 -3.124 0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.108 -2.628 -0.842 1.00 0.00 H new ATOM 697 N GLU A 51 1.388 -2.310 3.477 1.00 0.00 N ATOM 698 CA GLU A 51 1.238 -1.756 4.815 1.00 0.00 C ATOM 699 C GLU A 51 1.717 -0.312 4.885 1.00 0.00 C ATOM 700 O GLU A 51 2.916 -0.036 4.826 1.00 0.00 O ATOM 701 CB GLU A 51 2.006 -2.607 5.829 1.00 0.00 C ATOM 702 CG GLU A 51 1.126 -3.587 6.586 1.00 0.00 C ATOM 703 CD GLU A 51 1.187 -3.385 8.088 1.00 0.00 C ATOM 704 OE1 GLU A 51 2.280 -3.560 8.666 1.00 0.00 O ATOM 705 OE2 GLU A 51 0.142 -3.050 8.684 1.00 0.00 O ATOM 0 H GLU A 51 2.337 -2.275 3.105 1.00 0.00 H new ATOM 0 HA GLU A 51 0.176 -1.769 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.788 -3.160 5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.501 -1.949 6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.095 -3.478 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.433 -4.605 6.347 1.00 0.00 H new ATOM 712 N ILE A 52 0.769 0.605 5.051 1.00 0.00 N ATOM 713 CA ILE A 52 1.084 2.020 5.175 1.00 0.00 C ATOM 714 C ILE A 52 1.776 2.250 6.499 1.00 0.00 C ATOM 715 O ILE A 52 1.395 1.635 7.494 1.00 0.00 O ATOM 716 CB ILE A 52 -0.198 2.868 5.155 1.00 0.00 C ATOM 717 CG1 ILE A 52 -0.933 2.699 3.831 1.00 0.00 C ATOM 718 CG2 ILE A 52 0.120 4.332 5.424 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.359 3.531 2.716 1.00 0.00 C ATOM 0 H ILE A 52 -0.227 0.390 5.103 1.00 0.00 H new ATOM 0 HA ILE A 52 1.721 2.309 4.339 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.855 2.517 5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.906 1.649 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.981 2.965 3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.801 4.914 5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.590 4.428 6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.799 4.704 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.931 3.361 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.411 4.586 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.681 3.249 2.550 1.00 0.00 H new ATOM 731 N GLU A 53 2.778 3.121 6.560 1.00 0.00 N ATOM 732 CA GLU A 53 3.406 3.319 7.862 1.00 0.00 C ATOM 733 C GLU A 53 2.299 3.691 8.859 1.00 0.00 C ATOM 734 O GLU A 53 1.210 4.088 8.441 1.00 0.00 O ATOM 735 CB GLU A 53 4.545 4.352 7.812 1.00 0.00 C ATOM 736 CG GLU A 53 4.208 5.689 8.437 1.00 0.00 C ATOM 737 CD GLU A 53 4.695 5.807 9.870 1.00 0.00 C ATOM 738 OE1 GLU A 53 3.961 5.383 10.786 1.00 0.00 O ATOM 739 OE2 GLU A 53 5.812 6.326 10.075 1.00 0.00 O ATOM 0 H GLU A 53 3.153 3.667 5.784 1.00 0.00 H new ATOM 0 HA GLU A 53 3.892 2.399 8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.417 3.938 8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.828 4.512 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.652 6.486 7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.128 5.835 8.412 1.00 0.00 H new ATOM 746 N ASP A 54 2.538 3.531 10.158 1.00 0.00 N ATOM 747 CA ASP A 54 1.502 3.822 11.165 1.00 0.00 C ATOM 748 C ASP A 54 1.287 5.315 11.407 1.00 0.00 C ATOM 749 O ASP A 54 0.739 5.711 12.435 1.00 0.00 O ATOM 750 CB ASP A 54 1.844 3.128 12.485 1.00 0.00 C ATOM 751 CG ASP A 54 0.692 2.306 13.027 1.00 0.00 C ATOM 752 OD1 ASP A 54 -0.328 2.905 13.430 1.00 0.00 O ATOM 753 OD2 ASP A 54 0.811 1.063 13.052 1.00 0.00 O ATOM 0 H ASP A 54 3.425 3.206 10.542 1.00 0.00 H new ATOM 0 HA ASP A 54 0.566 3.434 10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.709 2.481 12.338 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.129 3.878 13.223 1.00 0.00 H new ATOM 758 N ALA A 55 1.693 6.134 10.455 1.00 0.00 N ATOM 759 CA ALA A 55 1.523 7.570 10.549 1.00 0.00 C ATOM 760 C ALA A 55 0.542 8.049 9.498 1.00 0.00 C ATOM 761 O ALA A 55 -0.073 9.105 9.635 1.00 0.00 O ATOM 762 CB ALA A 55 2.857 8.268 10.352 1.00 0.00 C ATOM 0 H ALA A 55 2.149 5.823 9.597 1.00 0.00 H new ATOM 0 HA ALA A 55 1.135 7.810 11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.717 9.347 10.425 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.556 7.940 11.121 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.256 8.019 9.369 1.00 0.00 H new ATOM 768 N TRP A 56 0.456 7.286 8.415 1.00 0.00 N ATOM 769 CA TRP A 56 -0.385 7.649 7.287 1.00 0.00 C ATOM 770 C TRP A 56 -1.628 6.818 7.146 1.00 0.00 C ATOM 771 O TRP A 56 -2.355 6.965 6.176 1.00 0.00 O ATOM 772 CB TRP A 56 0.430 7.532 6.034 1.00 0.00 C ATOM 773 CG TRP A 56 1.647 8.338 6.161 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.680 8.084 7.000 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.958 9.534 5.472 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.607 9.070 6.918 1.00 0.00 N ATOM 777 CE2 TRP A 56 3.206 9.962 5.966 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.312 10.294 4.482 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.825 11.105 5.512 1.00 0.00 C ATOM 780 CZ3 TRP A 56 1.946 11.435 4.025 1.00 0.00 C ATOM 781 CH2 TRP A 56 3.191 11.825 4.539 1.00 0.00 C ATOM 0 H TRP A 56 0.962 6.408 8.297 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.726 8.669 7.464 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.690 6.489 5.854 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.153 7.868 5.177 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.754 7.219 7.643 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.460 9.134 7.474 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.351 9.996 4.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.778 11.421 5.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.475 12.035 3.260 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.661 12.718 4.156 1.00 0.00 H new ATOM 792 N VAL A 57 -1.900 5.975 8.098 1.00 0.00 N ATOM 793 CA VAL A 57 -3.095 5.191 8.024 1.00 0.00 C ATOM 794 C VAL A 57 -4.272 6.103 8.229 1.00 0.00 C ATOM 795 O VAL A 57 -5.317 5.968 7.592 1.00 0.00 O ATOM 796 CB VAL A 57 -3.108 4.117 9.079 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.331 3.263 8.886 1.00 0.00 C ATOM 798 CG2 VAL A 57 -1.821 3.340 8.987 1.00 0.00 C ATOM 0 H VAL A 57 -1.321 5.814 8.922 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.142 4.707 7.049 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.164 4.535 10.084 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.352 2.481 9.645 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.224 3.881 8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.304 2.808 7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.814 2.557 9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.738 2.889 7.998 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.978 4.011 9.151 1.00 0.00 H new ATOM 808 N GLU A 58 -4.060 7.070 9.102 1.00 0.00 N ATOM 809 CA GLU A 58 -5.070 8.064 9.377 1.00 0.00 C ATOM 810 C GLU A 58 -5.018 9.122 8.287 1.00 0.00 C ATOM 811 O GLU A 58 -5.863 10.014 8.221 1.00 0.00 O ATOM 812 CB GLU A 58 -4.855 8.701 10.752 1.00 0.00 C ATOM 813 CG GLU A 58 -5.618 8.008 11.869 1.00 0.00 C ATOM 814 CD GLU A 58 -7.109 7.946 11.603 1.00 0.00 C ATOM 815 OE1 GLU A 58 -7.614 8.803 10.848 1.00 0.00 O ATOM 816 OE2 GLU A 58 -7.773 7.039 12.149 1.00 0.00 O ATOM 0 H GLU A 58 -3.196 7.185 9.631 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.051 7.589 9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.791 8.687 10.987 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.159 9.747 10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.232 6.996 11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.441 8.535 12.807 1.00 0.00 H new ATOM 823 N ILE A 59 -4.018 8.989 7.413 1.00 0.00 N ATOM 824 CA ILE A 59 -3.848 9.909 6.292 1.00 0.00 C ATOM 825 C ILE A 59 -4.330 9.248 5.018 1.00 0.00 C ATOM 826 O ILE A 59 -4.888 9.884 4.126 1.00 0.00 O ATOM 827 CB ILE A 59 -2.370 10.298 6.077 1.00 0.00 C ATOM 828 CG1 ILE A 59 -1.934 11.331 7.096 1.00 0.00 C ATOM 829 CG2 ILE A 59 -2.141 10.842 4.671 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.510 11.150 7.540 1.00 0.00 C ATOM 0 H ILE A 59 -3.315 8.252 7.462 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.423 10.805 6.526 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.773 9.395 6.204 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.052 12.327 6.670 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.590 11.276 7.965 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.091 11.107 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.410 10.081 3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.759 11.727 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.256 11.919 8.269 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.393 10.166 7.994 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.153 11.233 6.679 1.00 0.00 H new ATOM 842 N VAL A 60 -4.054 7.961 4.946 1.00 0.00 N ATOM 843 CA VAL A 60 -4.388 7.163 3.795 1.00 0.00 C ATOM 844 C VAL A 60 -5.763 6.521 3.944 1.00 0.00 C ATOM 845 O VAL A 60 -6.748 7.055 3.432 1.00 0.00 O ATOM 846 CB VAL A 60 -3.300 6.096 3.571 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.602 5.268 2.331 1.00 0.00 C ATOM 848 CG2 VAL A 60 -1.917 6.757 3.477 1.00 0.00 C ATOM 0 H VAL A 60 -3.589 7.442 5.691 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.431 7.813 2.921 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.295 5.419 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.820 4.521 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.563 4.769 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.639 5.920 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.158 5.991 3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.905 7.458 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.706 7.292 4.403 1.00 0.00 H new ATOM 858 N GLY A 61 -5.822 5.388 4.657 1.00 0.00 N ATOM 859 CA GLY A 61 -7.088 4.686 4.877 1.00 0.00 C ATOM 860 C GLY A 61 -8.163 5.072 3.875 1.00 0.00 C ATOM 861 O GLY A 61 -9.282 5.416 4.254 1.00 0.00 O ATOM 0 H GLY A 61 -5.012 4.942 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.916 3.611 4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.445 4.899 5.885 1.00 0.00 H new ATOM 865 N GLU A 62 -7.807 5.039 2.597 1.00 0.00 N ATOM 866 CA GLU A 62 -8.725 5.413 1.526 1.00 0.00 C ATOM 867 C GLU A 62 -9.747 4.324 1.232 1.00 0.00 C ATOM 868 O GLU A 62 -10.765 4.579 0.589 1.00 0.00 O ATOM 869 CB GLU A 62 -7.935 5.715 0.258 1.00 0.00 C ATOM 870 CG GLU A 62 -7.095 6.978 0.353 1.00 0.00 C ATOM 871 CD GLU A 62 -7.908 8.238 0.130 1.00 0.00 C ATOM 872 OE1 GLU A 62 -8.200 8.557 -1.042 1.00 0.00 O ATOM 873 OE2 GLU A 62 -8.254 8.905 1.127 1.00 0.00 O ATOM 0 H GLU A 62 -6.882 4.755 2.274 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.269 6.297 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.283 4.870 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.628 5.811 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.624 7.023 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.293 6.933 -0.384 1.00 0.00 H new ATOM 880 N ALA A 63 -9.467 3.114 1.681 1.00 0.00 N ATOM 881 CA ALA A 63 -10.371 1.996 1.430 1.00 0.00 C ATOM 882 C ALA A 63 -11.801 2.337 1.782 1.00 0.00 C ATOM 883 O ALA A 63 -12.081 2.979 2.794 1.00 0.00 O ATOM 884 CB ALA A 63 -9.980 0.745 2.197 1.00 0.00 C ATOM 0 H ALA A 63 -8.631 2.877 2.216 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.290 1.799 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.686 -0.055 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.977 0.436 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.996 0.954 3.267 1.00 0.00 H new ATOM 890 N ASN A 64 -12.698 1.842 0.958 1.00 0.00 N ATOM 891 CA ASN A 64 -14.104 2.007 1.159 1.00 0.00 C ATOM 892 C ASN A 64 -14.599 0.824 1.968 1.00 0.00 C ATOM 893 O ASN A 64 -13.869 -0.143 2.184 1.00 0.00 O ATOM 894 CB ASN A 64 -14.836 2.065 -0.193 1.00 0.00 C ATOM 895 CG ASN A 64 -14.022 1.501 -1.345 1.00 0.00 C ATOM 896 OD1 ASN A 64 -12.826 1.766 -1.464 1.00 0.00 O ATOM 897 ND2 ASN A 64 -14.671 0.719 -2.200 1.00 0.00 N ATOM 0 H ASN A 64 -12.459 1.309 0.122 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.301 2.940 1.687 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.772 1.512 -0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.095 3.101 -0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.177 0.311 -2.994 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.663 0.526 -2.063 1.00 0.00 H new ATOM 904 N PRO A 65 -15.846 0.872 2.401 1.00 0.00 N ATOM 905 CA PRO A 65 -16.463 -0.211 3.168 1.00 0.00 C ATOM 906 C PRO A 65 -16.518 -1.525 2.380 1.00 0.00 C ATOM 907 O PRO A 65 -17.075 -2.515 2.853 1.00 0.00 O ATOM 908 CB PRO A 65 -17.881 0.305 3.444 1.00 0.00 C ATOM 909 CG PRO A 65 -18.107 1.395 2.447 1.00 0.00 C ATOM 910 CD PRO A 65 -16.756 1.986 2.162 1.00 0.00 C ATOM 0 HA PRO A 65 -15.897 -0.442 4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.618 -0.490 3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.971 0.680 4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.561 1.003 1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.787 2.150 2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.685 2.351 1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.540 2.830 2.817 1.00 0.00 H new ATOM 918 N ASP A 66 -15.937 -1.532 1.175 1.00 0.00 N ATOM 919 CA ASP A 66 -15.922 -2.722 0.336 1.00 0.00 C ATOM 920 C ASP A 66 -14.657 -3.533 0.574 1.00 0.00 C ATOM 921 O ASP A 66 -14.705 -4.649 1.087 1.00 0.00 O ATOM 922 CB ASP A 66 -16.021 -2.332 -1.140 1.00 0.00 C ATOM 923 CG ASP A 66 -17.311 -1.604 -1.463 1.00 0.00 C ATOM 924 OD1 ASP A 66 -18.325 -1.861 -0.781 1.00 0.00 O ATOM 925 OD2 ASP A 66 -17.306 -0.776 -2.399 1.00 0.00 O ATOM 0 H ASP A 66 -15.472 -0.723 0.764 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.783 -3.336 0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.174 -1.698 -1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.950 -3.229 -1.755 1.00 0.00 H new ATOM 930 N GLU A 67 -13.524 -2.955 0.190 1.00 0.00 N ATOM 931 CA GLU A 67 -12.234 -3.614 0.352 1.00 0.00 C ATOM 932 C GLU A 67 -12.130 -4.273 1.723 1.00 0.00 C ATOM 933 O GLU A 67 -11.856 -5.468 1.830 1.00 0.00 O ATOM 934 CB GLU A 67 -11.098 -2.608 0.165 1.00 0.00 C ATOM 935 CG GLU A 67 -9.726 -3.172 0.494 1.00 0.00 C ATOM 936 CD GLU A 67 -9.487 -3.280 1.987 1.00 0.00 C ATOM 937 OE1 GLU A 67 -9.732 -2.286 2.701 1.00 0.00 O ATOM 938 OE2 GLU A 67 -9.056 -4.360 2.441 1.00 0.00 O ATOM 0 H GLU A 67 -13.473 -2.030 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.150 -4.389 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.100 -2.258 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.285 -1.739 0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.623 -4.158 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.959 -2.536 0.051 1.00 0.00 H new ATOM 945 N ASN A 68 -12.354 -3.487 2.770 1.00 0.00 N ATOM 946 CA ASN A 68 -12.287 -3.995 4.135 1.00 0.00 C ATOM 947 C ASN A 68 -13.233 -5.177 4.324 1.00 0.00 C ATOM 948 O ASN A 68 -12.924 -6.121 5.049 1.00 0.00 O ATOM 949 CB ASN A 68 -12.635 -2.885 5.129 1.00 0.00 C ATOM 950 CG ASN A 68 -12.080 -3.152 6.515 1.00 0.00 C ATOM 951 OD1 ASN A 68 -11.248 -2.398 7.019 1.00 0.00 O ATOM 952 ND2 ASN A 68 -12.538 -4.232 7.137 1.00 0.00 N ATOM 0 H ASN A 68 -12.584 -2.496 2.700 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.268 -4.336 4.320 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.244 -1.936 4.761 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.718 -2.782 5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.200 -4.465 8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.228 -4.829 6.681 1.00 0.00 H new ATOM 959 N ASP A 69 -14.387 -5.117 3.665 1.00 0.00 N ATOM 960 CA ASP A 69 -15.379 -6.183 3.760 1.00 0.00 C ATOM 961 C ASP A 69 -15.020 -7.344 2.837 1.00 0.00 C ATOM 962 O ASP A 69 -15.097 -8.509 3.228 1.00 0.00 O ATOM 963 CB ASP A 69 -16.768 -5.648 3.407 1.00 0.00 C ATOM 964 CG ASP A 69 -17.806 -5.997 4.456 1.00 0.00 C ATOM 965 OD1 ASP A 69 -17.448 -6.671 5.444 1.00 0.00 O ATOM 966 OD2 ASP A 69 -18.976 -5.595 4.289 1.00 0.00 O ATOM 0 H ASP A 69 -14.658 -4.342 3.060 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.387 -6.547 4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.719 -4.565 3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.077 -6.055 2.444 1.00 0.00 H new ATOM 971 N LEU A 70 -14.628 -7.017 1.610 1.00 0.00 N ATOM 972 CA LEU A 70 -14.255 -8.029 0.628 1.00 0.00 C ATOM 973 C LEU A 70 -13.231 -9.000 1.210 1.00 0.00 C ATOM 974 O LEU A 70 -13.403 -10.216 1.135 1.00 0.00 O ATOM 975 CB LEU A 70 -13.697 -7.359 -0.631 1.00 0.00 C ATOM 976 CG LEU A 70 -12.630 -8.156 -1.385 1.00 0.00 C ATOM 977 CD1 LEU A 70 -13.251 -9.357 -2.084 1.00 0.00 C ATOM 978 CD2 LEU A 70 -11.911 -7.265 -2.387 1.00 0.00 C ATOM 0 H LEU A 70 -14.560 -6.057 1.271 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.147 -8.596 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.524 -7.159 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.274 -6.394 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.900 -8.522 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.476 -9.910 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.719 -10.007 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.003 -9.015 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.155 -7.847 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.630 -6.869 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.431 -6.440 -1.861 1.00 0.00 H new ATOM 990 N LEU A 71 -12.169 -8.452 1.790 1.00 0.00 N ATOM 991 CA LEU A 71 -11.118 -9.270 2.384 1.00 0.00 C ATOM 992 C LEU A 71 -11.625 -9.993 3.628 1.00 0.00 C ATOM 993 O LEU A 71 -11.375 -11.184 3.811 1.00 0.00 O ATOM 994 CB LEU A 71 -9.910 -8.402 2.744 1.00 0.00 C ATOM 995 CG LEU A 71 -8.550 -9.004 2.384 1.00 0.00 C ATOM 996 CD1 LEU A 71 -8.222 -8.744 0.922 1.00 0.00 C ATOM 997 CD2 LEU A 71 -7.465 -8.437 3.285 1.00 0.00 C ATOM 0 H LEU A 71 -12.013 -7.447 1.862 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.817 -10.017 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.010 -7.441 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.930 -8.204 3.816 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.597 -10.082 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.251 -9.179 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.987 -9.197 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.192 -7.669 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.504 -8.875 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.418 -7.355 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.694 -8.674 4.324 1.00 0.00 H new ATOM 1009 N GLN A 72 -12.337 -9.264 4.480 1.00 0.00 N ATOM 1010 CA GLN A 72 -12.879 -9.834 5.709 1.00 0.00 C ATOM 1011 C GLN A 72 -13.714 -11.076 5.414 1.00 0.00 C ATOM 1012 O GLN A 72 -13.726 -12.026 6.196 1.00 0.00 O ATOM 1013 CB GLN A 72 -13.728 -8.799 6.447 1.00 0.00 C ATOM 1014 CG GLN A 72 -12.977 -8.072 7.550 1.00 0.00 C ATOM 1015 CD GLN A 72 -13.525 -8.381 8.929 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -13.866 -7.476 9.691 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -13.612 -9.665 9.256 1.00 0.00 N ATOM 0 H GLN A 72 -12.553 -8.277 4.343 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.041 -10.124 6.343 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.100 -8.068 5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.598 -9.295 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.924 -8.349 7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.031 -6.998 7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.318 -10.381 8.592 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.973 -9.935 10.171 1.00 0.00 H new ATOM 1026 N SER A 73 -14.412 -11.063 4.283 1.00 0.00 N ATOM 1027 CA SER A 73 -15.249 -12.189 3.889 1.00 0.00 C ATOM 1028 C SER A 73 -14.417 -13.458 3.734 1.00 0.00 C ATOM 1029 O SER A 73 -14.946 -14.568 3.776 1.00 0.00 O ATOM 1030 CB SER A 73 -15.973 -11.880 2.578 1.00 0.00 C ATOM 1031 OG SER A 73 -17.378 -11.984 2.733 1.00 0.00 O ATOM 0 H SER A 73 -14.414 -10.285 3.624 1.00 0.00 H new ATOM 0 HA SER A 73 -15.987 -12.352 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.714 -10.875 2.245 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.638 -12.569 1.803 1.00 0.00 H new ATOM 0 HG SER A 73 -17.817 -11.780 1.881 1.00 0.00 H new ATOM 1037 N THR A 74 -13.111 -13.285 3.550 1.00 0.00 N ATOM 1038 CA THR A 74 -12.206 -14.415 3.386 1.00 0.00 C ATOM 1039 C THR A 74 -11.984 -15.137 4.712 1.00 0.00 C ATOM 1040 O THR A 74 -11.654 -16.324 4.735 1.00 0.00 O ATOM 1041 CB THR A 74 -10.866 -13.942 2.821 1.00 0.00 C ATOM 1042 OG1 THR A 74 -10.128 -13.239 3.802 1.00 0.00 O ATOM 1043 CG2 THR A 74 -11.012 -13.034 1.619 1.00 0.00 C ATOM 0 H THR A 74 -12.657 -12.372 3.511 1.00 0.00 H new ATOM 0 HA THR A 74 -12.664 -15.114 2.686 1.00 0.00 H new ATOM 0 HB THR A 74 -10.347 -14.849 2.512 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.368 -12.289 3.774 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.025 -12.734 1.267 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.535 -13.565 0.823 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.581 -12.148 1.899 1.00 0.00 H new ATOM 1051 N GLY A 75 -12.167 -14.416 5.812 1.00 0.00 N ATOM 1052 CA GLY A 75 -11.981 -15.007 7.125 1.00 0.00 C ATOM 1053 C GLY A 75 -10.700 -14.549 7.792 1.00 0.00 C ATOM 1054 O GLY A 75 -10.561 -14.635 9.013 1.00 0.00 O ATOM 0 H GLY A 75 -12.441 -13.433 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.829 -14.749 7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.970 -16.093 7.033 1.00 0.00 H new ATOM 1058 N GLU A 76 -9.760 -14.062 6.990 1.00 0.00 N ATOM 1059 CA GLU A 76 -8.482 -13.589 7.508 1.00 0.00 C ATOM 1060 C GLU A 76 -8.359 -12.077 7.348 1.00 0.00 C ATOM 1061 O GLU A 76 -7.854 -11.586 6.338 1.00 0.00 O ATOM 1062 CB GLU A 76 -7.326 -14.285 6.787 1.00 0.00 C ATOM 1063 CG GLU A 76 -7.503 -15.789 6.672 1.00 0.00 C ATOM 1064 CD GLU A 76 -7.070 -16.326 5.321 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -6.567 -15.530 4.500 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -7.235 -17.541 5.085 1.00 0.00 O ATOM 0 H GLU A 76 -9.859 -13.984 5.978 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.436 -13.830 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.224 -13.862 5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.398 -14.076 7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.926 -16.280 7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.550 -16.042 6.841 1.00 0.00 H new ATOM 1073 N PRO A 77 -8.825 -11.320 8.351 1.00 0.00 N ATOM 1074 CA PRO A 77 -8.772 -9.855 8.329 1.00 0.00 C ATOM 1075 C PRO A 77 -7.359 -9.332 8.093 1.00 0.00 C ATOM 1076 O PRO A 77 -6.438 -10.103 7.825 1.00 0.00 O ATOM 1077 CB PRO A 77 -9.266 -9.456 9.723 1.00 0.00 C ATOM 1078 CG PRO A 77 -10.079 -10.616 10.186 1.00 0.00 C ATOM 1079 CD PRO A 77 -9.439 -11.835 9.585 1.00 0.00 C ATOM 0 HA PRO A 77 -9.370 -9.438 7.518 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.432 -9.263 10.398 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.863 -8.545 9.685 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.088 -10.676 11.274 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -11.116 -10.520 9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.696 -12.270 10.253 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -10.173 -12.613 9.375 1.00 0.00 H new ATOM 1087 N MET A 78 -7.195 -8.018 8.194 1.00 0.00 N ATOM 1088 CA MET A 78 -5.894 -7.393 7.988 1.00 0.00 C ATOM 1089 C MET A 78 -5.298 -6.923 9.311 1.00 0.00 C ATOM 1090 O MET A 78 -5.785 -7.274 10.385 1.00 0.00 O ATOM 1091 CB MET A 78 -6.021 -6.210 7.026 1.00 0.00 C ATOM 1092 CG MET A 78 -7.005 -6.450 5.892 1.00 0.00 C ATOM 1093 SD MET A 78 -8.169 -5.088 5.683 1.00 0.00 S ATOM 1094 CE MET A 78 -8.970 -5.079 7.285 1.00 0.00 C ATOM 0 H MET A 78 -7.946 -7.365 8.417 1.00 0.00 H new ATOM 0 HA MET A 78 -5.227 -8.138 7.554 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.333 -5.329 7.586 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.041 -5.989 6.604 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.454 -6.598 4.963 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.558 -7.369 6.084 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.442 -4.111 7.450 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.727 -5.862 7.318 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.229 -5.259 8.064 1.00 0.00 H new ATOM 1104 N THR A 79 -4.239 -6.124 9.224 1.00 0.00 N ATOM 1105 CA THR A 79 -3.575 -5.600 10.411 1.00 0.00 C ATOM 1106 C THR A 79 -3.813 -4.099 10.539 1.00 0.00 C ATOM 1107 O THR A 79 -4.667 -3.537 9.851 1.00 0.00 O ATOM 1108 CB THR A 79 -2.073 -5.885 10.348 1.00 0.00 C ATOM 1109 OG1 THR A 79 -1.464 -5.139 9.310 1.00 0.00 O ATOM 1110 CG2 THR A 79 -1.751 -7.345 10.112 1.00 0.00 C ATOM 0 H THR A 79 -3.822 -5.825 8.342 1.00 0.00 H new ATOM 0 HA THR A 79 -3.994 -6.097 11.286 1.00 0.00 H new ATOM 0 HB THR A 79 -1.683 -5.596 11.324 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.120 -4.966 8.603 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.670 -7.478 10.078 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.165 -7.945 10.923 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.186 -7.665 9.165 1.00 0.00 H new ATOM 1118 N ALA A 80 -3.055 -3.453 11.417 1.00 0.00 N ATOM 1119 CA ALA A 80 -3.189 -2.016 11.624 1.00 0.00 C ATOM 1120 C ALA A 80 -2.446 -1.235 10.548 1.00 0.00 C ATOM 1121 O ALA A 80 -1.229 -1.353 10.407 1.00 0.00 O ATOM 1122 CB ALA A 80 -2.678 -1.624 12.998 1.00 0.00 C ATOM 0 H ALA A 80 -2.343 -3.900 11.995 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.248 -1.768 11.558 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.787 -0.548 13.133 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.253 -2.146 13.763 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.626 -1.896 13.086 1.00 0.00 H new ATOM 1128 N GLY A 81 -3.188 -0.435 9.793 1.00 0.00 N ATOM 1129 CA GLY A 81 -2.589 0.360 8.739 1.00 0.00 C ATOM 1130 C GLY A 81 -2.498 -0.387 7.423 1.00 0.00 C ATOM 1131 O GLY A 81 -1.893 0.097 6.467 1.00 0.00 O ATOM 0 H GLY A 81 -4.197 -0.323 9.892 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.175 1.268 8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.590 0.670 9.046 1.00 0.00 H new ATOM 1135 N THR A 82 -3.097 -1.572 7.375 1.00 0.00 N ATOM 1136 CA THR A 82 -3.076 -2.386 6.167 1.00 0.00 C ATOM 1137 C THR A 82 -4.021 -1.822 5.110 1.00 0.00 C ATOM 1138 O THR A 82 -5.067 -1.260 5.434 1.00 0.00 O ATOM 1139 CB THR A 82 -3.457 -3.830 6.496 1.00 0.00 C ATOM 1140 OG1 THR A 82 -3.357 -4.069 7.889 1.00 0.00 O ATOM 1141 CG2 THR A 82 -2.593 -4.854 5.792 1.00 0.00 C ATOM 0 H THR A 82 -3.602 -1.989 8.157 1.00 0.00 H new ATOM 0 HA THR A 82 -2.064 -2.368 5.764 1.00 0.00 H new ATOM 0 HB THR A 82 -4.483 -3.944 6.147 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.177 -3.766 8.333 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.918 -5.857 6.070 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.686 -4.729 4.713 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.552 -4.715 6.085 1.00 0.00 H new ATOM 1149 N ARG A 83 -3.644 -1.978 3.846 1.00 0.00 N ATOM 1150 CA ARG A 83 -4.457 -1.488 2.739 1.00 0.00 C ATOM 1151 C ARG A 83 -4.052 -2.164 1.432 1.00 0.00 C ATOM 1152 O ARG A 83 -3.343 -3.172 1.437 1.00 0.00 O ATOM 1153 CB ARG A 83 -4.316 0.031 2.607 1.00 0.00 C ATOM 1154 CG ARG A 83 -5.602 0.791 2.889 1.00 0.00 C ATOM 1155 CD ARG A 83 -6.772 0.219 2.102 1.00 0.00 C ATOM 1156 NE ARG A 83 -7.274 1.164 1.106 1.00 0.00 N ATOM 1157 CZ ARG A 83 -7.784 0.806 -0.069 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -7.883 -0.476 -0.396 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -8.209 1.736 -0.914 1.00 0.00 N ATOM 0 H ARG A 83 -2.780 -2.440 3.562 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.499 -1.731 2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.543 0.376 3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.977 0.269 1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.824 0.749 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.469 1.842 2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.461 -0.700 1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.576 -0.046 2.788 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.230 2.159 1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.567 -1.194 0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.275 -0.743 -1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.144 2.722 -0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.601 1.465 -1.816 1.00 0.00 H new ATOM 1173 N LEU A 84 -4.501 -1.603 0.314 1.00 0.00 N ATOM 1174 CA LEU A 84 -4.183 -2.152 -0.999 1.00 0.00 C ATOM 1175 C LEU A 84 -3.327 -1.175 -1.798 1.00 0.00 C ATOM 1176 O LEU A 84 -3.805 -0.127 -2.233 1.00 0.00 O ATOM 1177 CB LEU A 84 -5.466 -2.470 -1.769 1.00 0.00 C ATOM 1178 CG LEU A 84 -5.790 -3.959 -1.906 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -6.275 -4.524 -0.580 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -6.831 -4.179 -2.993 1.00 0.00 C ATOM 0 H LEU A 84 -5.086 -0.768 0.291 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.619 -3.073 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.301 -1.977 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.389 -2.038 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.879 -4.485 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.501 -5.584 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.498 -4.399 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.174 -3.994 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.050 -5.243 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.743 -3.640 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.447 -3.811 -3.944 1.00 0.00 H new ATOM 1192 N SER A 85 -2.059 -1.523 -1.986 1.00 0.00 N ATOM 1193 CA SER A 85 -1.137 -0.674 -2.731 1.00 0.00 C ATOM 1194 C SER A 85 -1.643 -0.428 -4.148 1.00 0.00 C ATOM 1195 O SER A 85 -1.319 0.588 -4.761 1.00 0.00 O ATOM 1196 CB SER A 85 0.254 -1.308 -2.775 1.00 0.00 C ATOM 1197 OG SER A 85 0.182 -2.668 -3.170 1.00 0.00 O ATOM 0 H SER A 85 -1.646 -2.386 -1.633 1.00 0.00 H new ATOM 0 HA SER A 85 -1.074 0.285 -2.217 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.887 -0.757 -3.471 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.722 -1.235 -1.793 1.00 0.00 H new ATOM 0 HG SER A 85 1.084 -3.050 -3.192 1.00 0.00 H new ATOM 1203 N CYS A 86 -2.437 -1.360 -4.667 1.00 0.00 N ATOM 1204 CA CYS A 86 -2.978 -1.225 -6.014 1.00 0.00 C ATOM 1205 C CYS A 86 -4.403 -0.681 -5.973 1.00 0.00 C ATOM 1206 O CYS A 86 -5.120 -0.720 -6.973 1.00 0.00 O ATOM 1207 CB CYS A 86 -2.954 -2.571 -6.745 1.00 0.00 C ATOM 1208 SG CYS A 86 -4.434 -3.601 -6.476 1.00 0.00 S ATOM 0 H CYS A 86 -2.718 -2.210 -4.179 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.350 -0.519 -6.558 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.843 -2.388 -7.814 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.075 -3.129 -6.424 1.00 0.00 H new ATOM 1213 N GLN A 87 -4.812 -0.182 -4.810 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.157 0.356 -4.646 1.00 0.00 C ATOM 1215 C GLN A 87 -6.133 1.781 -4.089 1.00 0.00 C ATOM 1216 O GLN A 87 -7.090 2.535 -4.263 1.00 0.00 O ATOM 1217 CB GLN A 87 -6.979 -0.552 -3.729 1.00 0.00 C ATOM 1218 CG GLN A 87 -8.482 -0.377 -3.879 1.00 0.00 C ATOM 1219 CD GLN A 87 -8.919 -0.298 -5.328 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -8.667 0.694 -6.012 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -9.583 -1.346 -5.803 1.00 0.00 N ATOM 0 H GLN A 87 -4.233 -0.139 -3.971 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.621 0.392 -5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.721 -1.591 -3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.701 -0.355 -2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.991 -1.211 -3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.792 0.530 -3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.770 -2.147 -5.200 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.906 -1.349 -6.771 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.038 2.150 -3.425 1.00 0.00 N ATOM 1231 CA VAL A 88 -4.907 3.481 -2.857 1.00 0.00 C ATOM 1232 C VAL A 88 -4.036 4.355 -3.751 1.00 0.00 C ATOM 1233 O VAL A 88 -2.998 3.912 -4.233 1.00 0.00 O ATOM 1234 CB VAL A 88 -4.295 3.420 -1.449 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -3.833 4.795 -1.014 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -5.294 2.841 -0.459 1.00 0.00 C ATOM 0 H VAL A 88 -4.233 1.543 -3.270 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.905 3.914 -2.788 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.426 2.763 -1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.402 4.735 -0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.081 5.164 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.683 5.477 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.844 2.805 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.184 3.469 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.571 1.833 -0.769 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.464 5.591 -3.987 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.704 6.490 -4.847 1.00 0.00 C ATOM 1248 C PHE A 89 -3.434 7.840 -4.195 1.00 0.00 C ATOM 1249 O PHE A 89 -4.120 8.252 -3.260 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.431 6.677 -6.172 1.00 0.00 C ATOM 1251 CG PHE A 89 -4.497 5.409 -6.964 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -5.139 4.292 -6.447 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -3.904 5.326 -8.215 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -5.191 3.110 -7.167 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -3.953 4.149 -8.944 1.00 0.00 C ATOM 1256 CZ PHE A 89 -4.598 3.039 -8.419 1.00 0.00 C ATOM 0 H PHE A 89 -5.320 5.989 -3.601 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.733 6.026 -5.022 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.442 7.038 -5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.924 7.443 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.603 4.345 -5.473 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.399 6.188 -8.625 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.692 2.246 -6.755 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.490 4.096 -9.918 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.639 2.120 -8.985 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.403 8.503 -4.703 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.967 9.795 -4.208 1.00 0.00 C ATOM 1268 C ILE A 90 -2.979 10.915 -4.463 1.00 0.00 C ATOM 1269 O ILE A 90 -3.808 10.841 -5.368 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.624 10.162 -4.861 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.429 9.124 -4.497 1.00 0.00 C ATOM 1272 CG2 ILE A 90 -0.144 11.524 -4.414 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.155 9.466 -3.212 1.00 0.00 C ATOM 0 H ILE A 90 -1.842 8.152 -5.479 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.865 9.703 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.777 10.184 -5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.046 8.148 -4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.152 9.043 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.807 11.750 -4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.880 12.278 -4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.013 11.527 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.895 8.695 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.655 10.429 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.438 9.520 -2.393 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.879 11.950 -3.635 1.00 0.00 N ATOM 1286 CA ASP A 91 -3.717 13.119 -3.683 1.00 0.00 C ATOM 1287 C ASP A 91 -3.202 14.014 -2.566 1.00 0.00 C ATOM 1288 O ASP A 91 -2.398 13.557 -1.754 1.00 0.00 O ATOM 1289 CB ASP A 91 -5.188 12.717 -3.472 1.00 0.00 C ATOM 1290 CG ASP A 91 -5.687 12.974 -2.060 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -5.880 14.156 -1.705 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.885 11.993 -1.312 1.00 0.00 O ATOM 0 H ASP A 91 -2.184 11.988 -2.889 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.680 13.634 -4.643 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.812 13.268 -4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.304 11.658 -3.704 1.00 0.00 H new ATOM 1297 N PRO A 92 -3.619 15.271 -2.472 1.00 0.00 N ATOM 1298 CA PRO A 92 -3.153 16.161 -1.406 1.00 0.00 C ATOM 1299 C PRO A 92 -3.649 15.697 -0.040 1.00 0.00 C ATOM 1300 O PRO A 92 -4.102 16.492 0.784 1.00 0.00 O ATOM 1301 CB PRO A 92 -3.750 17.524 -1.786 1.00 0.00 C ATOM 1302 CG PRO A 92 -4.186 17.372 -3.210 1.00 0.00 C ATOM 1303 CD PRO A 92 -4.554 15.926 -3.370 1.00 0.00 C ATOM 0 HA PRO A 92 -2.067 16.187 -1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.590 17.780 -1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.013 18.321 -1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.035 18.019 -3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.386 17.651 -3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.590 15.736 -3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.436 15.587 -4.399 1.00 0.00 H new ATOM 1311 N SER A 93 -3.556 14.389 0.173 1.00 0.00 N ATOM 1312 CA SER A 93 -3.977 13.750 1.398 1.00 0.00 C ATOM 1313 C SER A 93 -3.037 12.597 1.713 1.00 0.00 C ATOM 1314 O SER A 93 -3.342 11.732 2.530 1.00 0.00 O ATOM 1315 CB SER A 93 -5.387 13.206 1.206 1.00 0.00 C ATOM 1316 OG SER A 93 -5.366 11.803 1.007 1.00 0.00 O ATOM 0 H SER A 93 -3.179 13.739 -0.517 1.00 0.00 H new ATOM 0 HA SER A 93 -3.960 14.469 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.995 13.444 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.855 13.692 0.350 1.00 0.00 H new ATOM 0 HG SER A 93 -5.244 11.610 0.054 1.00 0.00 H new ATOM 1322 N MET A 94 -1.903 12.580 1.022 1.00 0.00 N ATOM 1323 CA MET A 94 -0.924 11.535 1.179 1.00 0.00 C ATOM 1324 C MET A 94 0.395 11.951 0.550 1.00 0.00 C ATOM 1325 O MET A 94 0.999 11.196 -0.204 1.00 0.00 O ATOM 1326 CB MET A 94 -1.431 10.268 0.507 1.00 0.00 C ATOM 1327 CG MET A 94 -2.283 9.408 1.409 1.00 0.00 C ATOM 1328 SD MET A 94 -2.560 7.765 0.726 1.00 0.00 S ATOM 1329 CE MET A 94 -4.310 7.846 0.404 1.00 0.00 C ATOM 0 H MET A 94 -1.646 13.294 0.340 1.00 0.00 H new ATOM 0 HA MET A 94 -0.765 11.352 2.242 1.00 0.00 H new ATOM 0 HB2 MET A 94 -2.010 10.541 -0.375 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.579 9.684 0.160 1.00 0.00 H new ATOM 0 HG2 MET A 94 -1.801 9.318 2.382 1.00 0.00 H new ATOM 0 HG3 MET A 94 -3.243 9.897 1.573 1.00 0.00 H new ATOM 0 HE1 MET A 94 -4.770 6.889 0.650 1.00 0.00 H new ATOM 0 HE2 MET A 94 -4.756 8.631 1.015 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.476 8.068 -0.650 1.00 0.00 H new ATOM 1339 N ASP A 95 0.836 13.157 0.853 1.00 0.00 N ATOM 1340 CA ASP A 95 2.078 13.651 0.318 1.00 0.00 C ATOM 1341 C ASP A 95 3.209 13.350 1.287 1.00 0.00 C ATOM 1342 O ASP A 95 3.106 13.662 2.469 1.00 0.00 O ATOM 1343 CB ASP A 95 1.987 15.152 0.015 1.00 0.00 C ATOM 1344 CG ASP A 95 1.291 15.459 -1.295 1.00 0.00 C ATOM 1345 OD1 ASP A 95 0.163 14.964 -1.499 1.00 0.00 O ATOM 1346 OD2 ASP A 95 1.874 16.197 -2.117 1.00 0.00 O ATOM 0 H ASP A 95 0.348 13.809 1.468 1.00 0.00 H new ATOM 0 HA ASP A 95 2.284 13.143 -0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.454 15.647 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.992 15.572 -0.009 1.00 0.00 H new ATOM 1351 N GLY A 96 4.273 12.722 0.798 1.00 0.00 N ATOM 1352 CA GLY A 96 5.370 12.368 1.668 1.00 0.00 C ATOM 1353 C GLY A 96 5.045 11.129 2.472 1.00 0.00 C ATOM 1354 O GLY A 96 5.477 10.995 3.609 1.00 0.00 O ATOM 0 H GLY A 96 4.392 12.455 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.268 12.196 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.587 13.197 2.342 1.00 0.00 H new ATOM 1358 N LEU A 97 4.250 10.239 1.872 1.00 0.00 N ATOM 1359 CA LEU A 97 3.816 9.009 2.533 1.00 0.00 C ATOM 1360 C LEU A 97 4.945 8.068 2.868 1.00 0.00 C ATOM 1361 O LEU A 97 6.058 8.166 2.354 1.00 0.00 O ATOM 1362 CB LEU A 97 2.848 8.218 1.666 1.00 0.00 C ATOM 1363 CG LEU A 97 1.657 8.982 1.140 1.00 0.00 C ATOM 1364 CD1 LEU A 97 1.377 8.558 -0.293 1.00 0.00 C ATOM 1365 CD2 LEU A 97 0.450 8.742 2.028 1.00 0.00 C ATOM 0 H LEU A 97 3.893 10.350 0.923 1.00 0.00 H new ATOM 0 HA LEU A 97 3.345 9.357 3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.399 7.813 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.484 7.369 2.244 1.00 0.00 H new ATOM 0 HG LEU A 97 1.873 10.050 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.517 9.109 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.248 8.771 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.165 7.489 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.404 9.298 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.214 7.678 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.671 9.078 3.041 1.00 0.00 H new ATOM 1377 N ILE A 98 4.603 7.121 3.720 1.00 0.00 N ATOM 1378 CA ILE A 98 5.525 6.087 4.138 1.00 0.00 C ATOM 1379 C ILE A 98 4.852 4.729 4.051 1.00 0.00 C ATOM 1380 O ILE A 98 3.934 4.426 4.813 1.00 0.00 O ATOM 1381 CB ILE A 98 6.057 6.286 5.564 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.706 7.656 5.709 1.00 0.00 C ATOM 1383 CG2 ILE A 98 7.040 5.183 5.920 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.737 8.772 5.443 1.00 0.00 C ATOM 0 H ILE A 98 3.677 7.048 4.141 1.00 0.00 H new ATOM 0 HA ILE A 98 6.377 6.145 3.461 1.00 0.00 H new ATOM 0 HB ILE A 98 5.217 6.235 6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.110 7.760 6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.546 7.734 5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.409 5.338 6.934 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.540 4.216 5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.877 5.203 5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.245 9.730 5.558 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.352 8.685 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.910 8.712 6.151 1.00 0.00 H new ATOM 1396 N VAL A 99 5.298 3.923 3.104 1.00 0.00 N ATOM 1397 CA VAL A 99 4.730 2.614 2.896 1.00 0.00 C ATOM 1398 C VAL A 99 5.651 1.482 3.345 1.00 0.00 C ATOM 1399 O VAL A 99 6.870 1.632 3.373 1.00 0.00 O ATOM 1400 CB VAL A 99 4.358 2.394 1.437 1.00 0.00 C ATOM 1401 CG1 VAL A 99 3.033 1.685 1.381 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.305 3.709 0.670 1.00 0.00 C ATOM 0 H VAL A 99 6.058 4.159 2.466 1.00 0.00 H new ATOM 0 HA VAL A 99 3.834 2.588 3.516 1.00 0.00 H new ATOM 0 HB VAL A 99 5.124 1.782 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.752 1.520 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.112 0.726 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.273 2.295 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.036 3.514 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.559 4.363 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.282 4.192 0.708 1.00 0.00 H new ATOM 1412 N ARG A 100 5.051 0.341 3.684 1.00 0.00 N ATOM 1413 CA ARG A 100 5.809 -0.830 4.120 1.00 0.00 C ATOM 1414 C ARG A 100 5.212 -2.114 3.555 1.00 0.00 C ATOM 1415 O ARG A 100 4.093 -2.120 3.041 1.00 0.00 O ATOM 1416 CB ARG A 100 5.843 -0.916 5.648 1.00 0.00 C ATOM 1417 CG ARG A 100 6.344 0.347 6.328 1.00 0.00 C ATOM 1418 CD ARG A 100 5.908 0.398 7.782 1.00 0.00 C ATOM 1419 NE ARG A 100 6.842 -0.309 8.656 1.00 0.00 N ATOM 1420 CZ ARG A 100 6.478 -0.958 9.759 1.00 0.00 C ATOM 1421 NH1 ARG A 100 5.206 -0.982 10.134 1.00 0.00 N ATOM 1422 NH2 ARG A 100 7.389 -1.584 10.491 1.00 0.00 N ATOM 0 H ARG A 100 4.041 0.203 3.665 1.00 0.00 H new ATOM 0 HA ARG A 100 6.826 -0.719 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.840 -1.138 6.011 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.480 -1.751 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.432 0.387 6.270 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.964 1.222 5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.828 1.437 8.101 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.916 -0.042 7.879 1.00 0.00 H new ATOM 0 HE ARG A 100 7.831 -0.305 8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.501 -0.501 9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.933 -1.481 10.981 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.369 -1.568 10.209 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.110 -2.081 11.337 1.00 0.00 H new ATOM 1436 N VAL A 101 5.967 -3.205 3.662 1.00 0.00 N ATOM 1437 CA VAL A 101 5.517 -4.502 3.170 1.00 0.00 C ATOM 1438 C VAL A 101 5.542 -5.546 4.282 1.00 0.00 C ATOM 1439 O VAL A 101 6.600 -5.862 4.827 1.00 0.00 O ATOM 1440 CB VAL A 101 6.390 -4.994 2.002 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.917 -6.356 1.517 1.00 0.00 C ATOM 1442 CG2 VAL A 101 6.382 -3.982 0.869 1.00 0.00 C ATOM 0 H VAL A 101 6.895 -3.215 4.086 1.00 0.00 H new ATOM 0 HA VAL A 101 4.494 -4.370 2.818 1.00 0.00 H new ATOM 0 HB VAL A 101 7.415 -5.099 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.547 -6.687 0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.982 -7.075 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.883 -6.283 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.004 -4.346 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.361 -3.842 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.775 -3.031 1.228 1.00 0.00 H new ATOM 1452 N PRO A 102 4.370 -6.094 4.637 1.00 0.00 N ATOM 1453 CA PRO A 102 4.256 -7.101 5.691 1.00 0.00 C ATOM 1454 C PRO A 102 4.718 -8.479 5.238 1.00 0.00 C ATOM 1455 O PRO A 102 5.141 -8.663 4.097 1.00 0.00 O ATOM 1456 CB PRO A 102 2.760 -7.112 5.998 1.00 0.00 C ATOM 1457 CG PRO A 102 2.114 -6.723 4.714 1.00 0.00 C ATOM 1458 CD PRO A 102 3.063 -5.767 4.038 1.00 0.00 C ATOM 0 HA PRO A 102 4.885 -6.866 6.550 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.429 -8.097 6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 102 2.513 -6.411 6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.932 -7.598 4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.147 -6.251 4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.071 -5.907 2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.786 -4.729 4.223 1.00 0.00 H new ATOM 1466 N LEU A 103 4.632 -9.445 6.145 1.00 0.00 N ATOM 1467 CA LEU A 103 5.039 -10.814 5.849 1.00 0.00 C ATOM 1468 C LEU A 103 3.846 -11.644 5.391 1.00 0.00 C ATOM 1469 O LEU A 103 2.785 -11.622 6.015 1.00 0.00 O ATOM 1470 CB LEU A 103 5.679 -11.456 7.083 1.00 0.00 C ATOM 1471 CG LEU A 103 6.285 -10.472 8.087 1.00 0.00 C ATOM 1472 CD1 LEU A 103 7.008 -11.218 9.199 1.00 0.00 C ATOM 1473 CD2 LEU A 103 7.233 -9.513 7.385 1.00 0.00 C ATOM 0 H LEU A 103 4.283 -9.305 7.093 1.00 0.00 H new ATOM 0 HA LEU A 103 5.772 -10.785 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.925 -12.054 7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.460 -12.141 6.753 1.00 0.00 H new ATOM 0 HG LEU A 103 5.476 -9.894 8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.432 -10.501 9.902 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.303 -11.865 9.721 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.808 -11.823 8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.655 -8.820 8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.037 -10.077 6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.688 -8.953 6.625 1.00 0.00 H new ATOM 1485 N PRO A 104 4.011 -12.390 4.291 1.00 0.00 N ATOM 1486 CA PRO A 104 2.956 -13.231 3.739 1.00 0.00 C ATOM 1487 C PRO A 104 2.893 -14.597 4.413 1.00 0.00 C ATOM 1488 O PRO A 104 3.671 -14.892 5.320 1.00 0.00 O ATOM 1489 CB PRO A 104 3.371 -13.370 2.278 1.00 0.00 C ATOM 1490 CG PRO A 104 4.862 -13.306 2.298 1.00 0.00 C ATOM 1491 CD PRO A 104 5.248 -12.470 3.496 1.00 0.00 C ATOM 0 HA PRO A 104 1.963 -12.804 3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.021 -14.312 1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.949 -12.571 1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.291 -14.306 2.370 1.00 0.00 H new ATOM 0 HG3 PRO A 104 5.242 -12.862 1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.056 -12.933 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.594 -11.481 3.197 1.00 0.00 H new ATOM 1499 N ALA A 105 1.960 -15.422 3.959 1.00 0.00 N ATOM 1500 CA ALA A 105 1.785 -16.759 4.512 1.00 0.00 C ATOM 1501 C ALA A 105 2.959 -17.661 4.143 1.00 0.00 C ATOM 1502 O ALA A 105 2.970 -18.828 4.588 1.00 0.00 O ATOM 1503 CB ALA A 105 0.478 -17.368 4.023 1.00 0.00 C ATOM 1504 OXT ALA A 105 3.856 -17.192 3.412 1.00 0.00 O ATOM 0 H ALA A 105 1.311 -15.189 3.208 1.00 0.00 H new ATOM 0 HA ALA A 105 1.749 -16.674 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 105 0.362 -18.366 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -0.356 -16.741 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.491 -17.433 2.935 1.00 0.00 H new TER 1510 ALA A 105 HETATM 1511 FE1 FES A 106 -4.137 -7.691 -7.037 1.00 0.00 FE HETATM 1512 FE2 FES A 106 -3.842 -5.504 -5.562 1.00 0.00 FE HETATM 1513 S1 FES A 106 -2.365 -6.394 -6.926 1.00 0.00 S HETATM 1514 S2 FES A 106 -5.596 -6.828 -5.636 1.00 0.00 S