USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 790 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 87 SER OG : rot 15:sc= 1.7 USER MOD Set 1.2: A 91 LYS NZ :NH3+ 157:sc= 1.15 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot -110:sc= 0.738 USER MOD Set 2.2: A 9 GLN : amide:sc= 0.842 K(o=1.6,f=0.97) USER MOD Single : A 5 LYS NZ :NH3+ -137:sc= 2.43 (180deg=1.34) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00204 USER MOD Single : A 15 THR OG1 : rot -79:sc= 1.24 USER MOD Single : A 16 SER OG : rot 88:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 2 (180deg=1.57) USER MOD Single : A 34 MET CE :methyl -154:sc= -0.0603 (180deg=-0.322) USER MOD Single : A 44 GLN : amide:sc=-0.00408 X(o=-0.0041,f=0) USER MOD Single : A 46 MET CE :methyl 166:sc= 0 (180deg=-0.00606) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 3.57 (180deg=3.5) USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.16) USER MOD Single : A 60 ASN : amide:sc= 1.47 K(o=1.5,f=-4.8!) USER MOD Single : A 61 GLN : amide:sc= 0.845 K(o=0.84,f=-0.19) USER MOD Single : A 63 THR OG1 : rot -53:sc= 1.33 USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.25) USER MOD Single : A 67 TYR OH : rot -155:sc= 0.18 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 134:sc= 1.26 USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.16) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 1.12! (180deg=0.891!) USER MOD Single : A 97 GLN : amide:sc= 0.749 K(o=0.75,f=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 102 LYS NZ :NH3+ -166:sc= 1.27 (180deg=1.22) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -0.243 F(o=-0.87,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 6.226 2.134 0.927 1.00 0.00 N ATOM 31 CA ILE A 3 7.149 2.640 1.938 1.00 0.00 C ATOM 32 C ILE A 3 6.526 3.934 2.478 1.00 0.00 C ATOM 33 O ILE A 3 5.947 4.725 1.728 1.00 0.00 O ATOM 34 CB ILE A 3 8.553 2.875 1.336 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.165 1.549 0.825 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.540 3.509 2.340 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.850 1.743 -0.523 1.00 0.00 C ATOM 0 HA ILE A 3 7.293 1.922 2.746 1.00 0.00 H new ATOM 0 HB ILE A 3 8.406 3.571 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.886 1.174 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.383 0.795 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.508 3.649 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.155 4.474 2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.655 2.852 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.271 0.795 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.122 2.095 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.648 2.479 -0.423 1.00 0.00 H new ATOM 49 N VAL A 4 6.677 4.155 3.778 1.00 0.00 N ATOM 50 CA VAL A 4 6.153 5.275 4.538 1.00 0.00 C ATOM 51 C VAL A 4 7.309 5.766 5.419 1.00 0.00 C ATOM 52 O VAL A 4 8.297 5.058 5.636 1.00 0.00 O ATOM 53 CB VAL A 4 4.912 4.809 5.348 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.207 5.938 6.120 1.00 0.00 C ATOM 55 CG2 VAL A 4 3.853 4.138 4.454 1.00 0.00 C ATOM 0 H VAL A 4 7.205 3.510 4.366 1.00 0.00 H new ATOM 0 HA VAL A 4 5.807 6.098 3.912 1.00 0.00 H new ATOM 0 HB VAL A 4 5.325 4.097 6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.352 5.531 6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.904 6.384 6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.865 6.700 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.004 3.829 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.516 4.845 3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.288 3.264 3.968 1.00 0.00 H new ATOM 65 N LYS A 5 7.180 6.982 5.940 1.00 0.00 N ATOM 66 CA LYS A 5 8.142 7.646 6.809 1.00 0.00 C ATOM 67 C LYS A 5 7.315 8.110 7.997 1.00 0.00 C ATOM 68 O LYS A 5 6.233 8.673 7.813 1.00 0.00 O ATOM 69 CB LYS A 5 8.796 8.792 6.021 1.00 0.00 C ATOM 70 CG LYS A 5 10.189 9.193 6.517 1.00 0.00 C ATOM 71 CD LYS A 5 10.155 10.055 7.788 1.00 0.00 C ATOM 72 CE LYS A 5 11.071 9.449 8.851 1.00 0.00 C ATOM 73 NZ LYS A 5 10.994 10.208 10.120 1.00 0.00 N ATOM 0 H LYS A 5 6.359 7.559 5.757 1.00 0.00 H new ATOM 0 HA LYS A 5 8.963 7.018 7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.868 8.500 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.144 9.664 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.771 8.292 6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.705 9.741 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.474 11.072 7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.135 10.119 8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.790 8.411 9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.099 9.444 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.951 10.333 10.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.568 11.140 9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.409 9.685 10.802 1.00 0.00 H new ATOM 87 N ALA A 6 7.800 7.828 9.198 1.00 0.00 N ATOM 88 CA ALA A 6 7.043 7.991 10.438 1.00 0.00 C ATOM 89 C ALA A 6 7.942 8.489 11.565 1.00 0.00 C ATOM 90 O ALA A 6 9.163 8.570 11.413 1.00 0.00 O ATOM 91 CB ALA A 6 6.398 6.647 10.815 1.00 0.00 C ATOM 0 H ALA A 6 8.745 7.474 9.344 1.00 0.00 H new ATOM 0 HA ALA A 6 6.264 8.738 10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.832 6.762 11.739 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.728 6.328 10.016 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.176 5.897 10.957 1.00 0.00 H new ATOM 97 N THR A 7 7.332 8.801 12.703 1.00 0.00 N ATOM 98 CA THR A 7 8.005 9.091 13.960 1.00 0.00 C ATOM 99 C THR A 7 7.238 8.376 15.069 1.00 0.00 C ATOM 100 O THR A 7 6.142 7.855 14.834 1.00 0.00 O ATOM 101 CB THR A 7 8.066 10.609 14.218 1.00 0.00 C ATOM 102 OG1 THR A 7 6.794 11.213 14.053 1.00 0.00 O ATOM 103 CG2 THR A 7 9.057 11.332 13.305 1.00 0.00 C ATOM 0 H THR A 7 6.316 8.861 12.776 1.00 0.00 H new ATOM 0 HA THR A 7 9.036 8.738 13.926 1.00 0.00 H new ATOM 0 HB THR A 7 8.404 10.710 15.249 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.799 11.771 13.247 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.054 12.397 13.536 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.058 10.930 13.463 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.767 11.185 12.265 1.00 0.00 H new ATOM 111 N ASP A 8 7.761 8.411 16.294 1.00 0.00 N ATOM 112 CA ASP A 8 7.129 7.847 17.486 1.00 0.00 C ATOM 113 C ASP A 8 5.677 8.311 17.671 1.00 0.00 C ATOM 114 O ASP A 8 4.851 7.587 18.226 1.00 0.00 O ATOM 115 CB ASP A 8 7.939 8.241 18.726 1.00 0.00 C ATOM 116 CG ASP A 8 7.480 7.430 19.947 1.00 0.00 C ATOM 117 OD1 ASP A 8 7.785 6.217 19.999 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.844 8.011 20.857 1.00 0.00 O ATOM 0 H ASP A 8 8.663 8.845 16.490 1.00 0.00 H new ATOM 0 HA ASP A 8 7.112 6.765 17.355 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.000 8.068 18.545 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.819 9.306 18.923 1.00 0.00 H new ATOM 123 N GLN A 9 5.367 9.508 17.162 1.00 0.00 N ATOM 124 CA GLN A 9 4.052 10.138 17.187 1.00 0.00 C ATOM 125 C GLN A 9 2.970 9.283 16.509 1.00 0.00 C ATOM 126 O GLN A 9 1.805 9.350 16.913 1.00 0.00 O ATOM 127 CB GLN A 9 4.130 11.502 16.478 1.00 0.00 C ATOM 128 CG GLN A 9 5.175 12.462 17.071 1.00 0.00 C ATOM 129 CD GLN A 9 5.237 13.771 16.282 1.00 0.00 C ATOM 130 OE1 GLN A 9 4.748 14.810 16.722 1.00 0.00 O ATOM 131 NE2 GLN A 9 5.834 13.753 15.100 1.00 0.00 N ATOM 0 H GLN A 9 6.065 10.089 16.699 1.00 0.00 H new ATOM 0 HA GLN A 9 3.769 10.254 18.233 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.359 11.339 15.425 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.150 11.978 16.521 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.929 12.673 18.112 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.155 11.985 17.066 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.236 12.885 14.745 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.892 14.607 14.545 1.00 0.00 H new ATOM 140 N SER A 10 3.341 8.487 15.499 1.00 0.00 N ATOM 141 CA SER A 10 2.398 7.790 14.621 1.00 0.00 C ATOM 142 C SER A 10 2.831 6.359 14.281 1.00 0.00 C ATOM 143 O SER A 10 2.048 5.618 13.686 1.00 0.00 O ATOM 144 CB SER A 10 2.210 8.605 13.330 1.00 0.00 C ATOM 145 OG SER A 10 1.893 9.963 13.605 1.00 0.00 O ATOM 0 H SER A 10 4.318 8.308 15.267 1.00 0.00 H new ATOM 0 HA SER A 10 1.456 7.705 15.162 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.122 8.558 12.734 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.415 8.160 12.732 1.00 0.00 H new ATOM 0 HG SER A 10 1.782 10.450 12.762 1.00 0.00 H new ATOM 151 N PHE A 11 4.043 5.945 14.665 1.00 0.00 N ATOM 152 CA PHE A 11 4.602 4.633 14.357 1.00 0.00 C ATOM 153 C PHE A 11 3.645 3.500 14.738 1.00 0.00 C ATOM 154 O PHE A 11 3.438 2.576 13.951 1.00 0.00 O ATOM 155 CB PHE A 11 5.943 4.489 15.089 1.00 0.00 C ATOM 156 CG PHE A 11 6.667 3.192 14.804 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.537 3.109 13.702 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.472 2.067 15.630 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.238 1.920 13.448 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.159 0.871 15.360 1.00 0.00 C ATOM 161 CZ PHE A 11 8.056 0.802 14.281 1.00 0.00 C ATOM 0 H PHE A 11 4.674 6.530 15.212 1.00 0.00 H new ATOM 0 HA PHE A 11 4.756 4.558 13.281 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.588 5.322 14.809 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.769 4.567 16.162 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.666 3.961 13.051 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.795 2.124 16.470 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.918 1.864 12.611 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.997 0.004 15.983 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.605 -0.109 14.092 1.00 0.00 H new ATOM 171 N SER A 12 3.029 3.580 15.919 1.00 0.00 N ATOM 172 CA SER A 12 2.123 2.552 16.412 1.00 0.00 C ATOM 173 C SER A 12 0.883 2.414 15.525 1.00 0.00 C ATOM 174 O SER A 12 0.429 1.300 15.266 1.00 0.00 O ATOM 175 CB SER A 12 1.737 2.872 17.862 1.00 0.00 C ATOM 176 OG SER A 12 2.886 3.225 18.621 1.00 0.00 O ATOM 0 H SER A 12 3.148 4.365 16.560 1.00 0.00 H new ATOM 0 HA SER A 12 2.636 1.591 16.380 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.017 3.691 17.880 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.248 2.008 18.313 1.00 0.00 H new ATOM 0 HG SER A 12 2.620 3.427 19.542 1.00 0.00 H new ATOM 182 N ALA A 13 0.354 3.532 15.021 1.00 0.00 N ATOM 183 CA ALA A 13 -0.776 3.516 14.107 1.00 0.00 C ATOM 184 C ALA A 13 -0.355 2.911 12.771 1.00 0.00 C ATOM 185 O ALA A 13 -1.057 2.058 12.228 1.00 0.00 O ATOM 186 CB ALA A 13 -1.335 4.932 13.924 1.00 0.00 C ATOM 0 H ALA A 13 0.700 4.467 15.238 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.568 2.897 14.528 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.181 4.903 13.237 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.664 5.321 14.888 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.559 5.580 13.517 1.00 0.00 H new ATOM 192 N GLU A 14 0.808 3.321 12.259 1.00 0.00 N ATOM 193 CA GLU A 14 1.310 2.853 10.975 1.00 0.00 C ATOM 194 C GLU A 14 1.555 1.343 10.996 1.00 0.00 C ATOM 195 O GLU A 14 1.275 0.672 10.002 1.00 0.00 O ATOM 196 CB GLU A 14 2.592 3.603 10.561 1.00 0.00 C ATOM 197 CG GLU A 14 2.351 5.053 10.106 1.00 0.00 C ATOM 198 CD GLU A 14 1.375 5.186 8.918 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.228 4.223 8.130 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.749 6.260 8.773 1.00 0.00 O ATOM 0 H GLU A 14 1.424 3.986 12.726 1.00 0.00 H new ATOM 0 HA GLU A 14 0.542 3.066 10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.285 3.608 11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.076 3.055 9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.963 5.627 10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.306 5.499 9.829 1.00 0.00 H new ATOM 207 N THR A 15 2.027 0.799 12.118 1.00 0.00 N ATOM 208 CA THR A 15 2.349 -0.612 12.267 1.00 0.00 C ATOM 209 C THR A 15 1.131 -1.485 12.597 1.00 0.00 C ATOM 210 O THR A 15 1.275 -2.705 12.703 1.00 0.00 O ATOM 211 CB THR A 15 3.504 -0.771 13.268 1.00 0.00 C ATOM 212 OG1 THR A 15 3.281 -0.063 14.469 1.00 0.00 O ATOM 213 CG2 THR A 15 4.827 -0.285 12.665 1.00 0.00 C ATOM 0 H THR A 15 2.198 1.342 12.964 1.00 0.00 H new ATOM 0 HA THR A 15 2.682 -0.988 11.300 1.00 0.00 H new ATOM 0 HB THR A 15 3.558 -1.836 13.492 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.477 0.887 14.330 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.627 -0.409 13.395 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.056 -0.868 11.773 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.740 0.768 12.398 1.00 0.00 H new ATOM 221 N SER A 16 -0.069 -0.903 12.700 1.00 0.00 N ATOM 222 CA SER A 16 -1.290 -1.604 13.077 1.00 0.00 C ATOM 223 C SER A 16 -2.197 -1.831 11.858 1.00 0.00 C ATOM 224 O SER A 16 -3.423 -1.812 11.972 1.00 0.00 O ATOM 225 CB SER A 16 -1.987 -0.857 14.223 1.00 0.00 C ATOM 226 OG SER A 16 -1.162 -0.813 15.372 1.00 0.00 O ATOM 0 H SER A 16 -0.216 0.090 12.519 1.00 0.00 H new ATOM 0 HA SER A 16 -1.039 -2.598 13.448 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.231 0.157 13.906 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.928 -1.350 14.465 1.00 0.00 H new ATOM 0 HG SER A 16 -0.576 -0.029 15.324 1.00 0.00 H new ATOM 232 N GLU A 17 -1.595 -2.038 10.682 1.00 0.00 N ATOM 233 CA GLU A 17 -2.304 -2.234 9.417 1.00 0.00 C ATOM 234 C GLU A 17 -1.721 -3.443 8.671 1.00 0.00 C ATOM 235 O GLU A 17 -1.197 -3.324 7.563 1.00 0.00 O ATOM 236 CB GLU A 17 -2.315 -0.939 8.584 1.00 0.00 C ATOM 237 CG GLU A 17 -3.102 0.196 9.259 1.00 0.00 C ATOM 238 CD GLU A 17 -3.371 1.363 8.295 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.402 1.913 7.723 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.549 1.745 8.109 1.00 0.00 O ATOM 0 H GLU A 17 -0.580 -2.074 10.583 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.351 -2.463 9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.289 -0.613 8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.750 -1.145 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.050 -0.192 9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.545 0.560 10.122 1.00 0.00 H new ATOM 247 N GLY A 18 -1.790 -4.618 9.306 1.00 0.00 N ATOM 248 CA GLY A 18 -1.328 -5.875 8.734 1.00 0.00 C ATOM 249 C GLY A 18 0.119 -6.118 9.133 1.00 0.00 C ATOM 250 O GLY A 18 0.561 -5.655 10.190 1.00 0.00 O ATOM 0 H GLY A 18 -2.175 -4.718 10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.954 -6.696 9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.416 -5.846 7.648 1.00 0.00 H new ATOM 254 N VAL A 19 0.849 -6.874 8.316 1.00 0.00 N ATOM 255 CA VAL A 19 2.295 -6.971 8.468 1.00 0.00 C ATOM 256 C VAL A 19 2.898 -5.661 7.965 1.00 0.00 C ATOM 257 O VAL A 19 2.522 -5.150 6.905 1.00 0.00 O ATOM 258 CB VAL A 19 2.876 -8.196 7.740 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.412 -8.200 7.808 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.369 -9.486 8.409 1.00 0.00 C ATOM 0 H VAL A 19 0.465 -7.424 7.548 1.00 0.00 H new ATOM 0 HA VAL A 19 2.550 -7.119 9.517 1.00 0.00 H new ATOM 0 HB VAL A 19 2.557 -8.147 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.797 -9.076 7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.799 -7.297 7.336 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.730 -8.230 8.850 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.782 -10.351 7.891 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.684 -9.503 9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.281 -9.519 8.358 1.00 0.00 H new ATOM 270 N VAL A 20 3.869 -5.150 8.712 1.00 0.00 N ATOM 271 CA VAL A 20 4.580 -3.918 8.433 1.00 0.00 C ATOM 272 C VAL A 20 6.048 -4.196 8.762 1.00 0.00 C ATOM 273 O VAL A 20 6.340 -4.958 9.682 1.00 0.00 O ATOM 274 CB VAL A 20 3.967 -2.784 9.284 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.640 -1.438 8.973 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.449 -2.646 9.035 1.00 0.00 C ATOM 0 H VAL A 20 4.193 -5.606 9.565 1.00 0.00 H new ATOM 0 HA VAL A 20 4.502 -3.596 7.395 1.00 0.00 H new ATOM 0 HB VAL A 20 4.136 -3.048 10.328 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.190 -0.656 9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.705 -1.504 9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.502 -1.197 7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.051 -1.839 9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.272 -2.422 7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.951 -3.580 9.296 1.00 0.00 H new ATOM 286 N LEU A 21 6.979 -3.597 8.023 1.00 0.00 N ATOM 287 CA LEU A 21 8.408 -3.835 8.173 1.00 0.00 C ATOM 288 C LEU A 21 9.051 -2.472 8.400 1.00 0.00 C ATOM 289 O LEU A 21 9.211 -1.672 7.480 1.00 0.00 O ATOM 290 CB LEU A 21 8.914 -4.613 6.948 1.00 0.00 C ATOM 291 CG LEU A 21 10.307 -5.249 7.107 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.635 -6.060 5.848 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.435 -4.248 7.363 1.00 0.00 C ATOM 0 H LEU A 21 6.755 -2.922 7.292 1.00 0.00 H new ATOM 0 HA LEU A 21 8.669 -4.461 9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.197 -5.400 6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.935 -3.938 6.092 1.00 0.00 H new ATOM 0 HG LEU A 21 10.252 -5.880 7.994 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.621 -6.513 5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.888 -6.842 5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.630 -5.401 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.380 -4.782 7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.499 -3.550 6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.231 -3.697 8.281 1.00 0.00 H new ATOM 305 N ALA A 22 9.322 -2.162 9.663 1.00 0.00 N ATOM 306 CA ALA A 22 9.925 -0.914 10.067 1.00 0.00 C ATOM 307 C ALA A 22 11.426 -0.982 9.823 1.00 0.00 C ATOM 308 O ALA A 22 12.045 -2.023 10.054 1.00 0.00 O ATOM 309 CB ALA A 22 9.647 -0.675 11.547 1.00 0.00 C ATOM 0 H ALA A 22 9.122 -2.788 10.443 1.00 0.00 H new ATOM 0 HA ALA A 22 9.503 -0.093 9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.101 0.267 11.855 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.571 -0.630 11.712 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.070 -1.491 12.133 1.00 0.00 H new ATOM 315 N ASP A 23 12.006 0.148 9.435 1.00 0.00 N ATOM 316 CA ASP A 23 13.405 0.311 9.071 1.00 0.00 C ATOM 317 C ASP A 23 13.968 1.455 9.903 1.00 0.00 C ATOM 318 O ASP A 23 13.784 2.632 9.587 1.00 0.00 O ATOM 319 CB ASP A 23 13.544 0.563 7.563 1.00 0.00 C ATOM 320 CG ASP A 23 14.949 1.071 7.195 1.00 0.00 C ATOM 321 OD1 ASP A 23 15.948 0.465 7.639 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.038 2.055 6.425 1.00 0.00 O ATOM 0 H ASP A 23 11.483 1.021 9.363 1.00 0.00 H new ATOM 0 HA ASP A 23 13.971 -0.596 9.281 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.337 -0.359 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.799 1.293 7.246 1.00 0.00 H new ATOM 327 N PHE A 24 14.572 1.086 11.030 1.00 0.00 N ATOM 328 CA PHE A 24 15.295 1.988 11.903 1.00 0.00 C ATOM 329 C PHE A 24 16.614 2.306 11.215 1.00 0.00 C ATOM 330 O PHE A 24 17.458 1.419 11.029 1.00 0.00 O ATOM 331 CB PHE A 24 15.489 1.358 13.289 1.00 0.00 C ATOM 332 CG PHE A 24 14.199 1.333 14.087 1.00 0.00 C ATOM 333 CD1 PHE A 24 13.226 0.344 13.840 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.929 2.359 15.012 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.984 0.397 14.496 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.687 2.413 15.663 1.00 0.00 C ATOM 337 CZ PHE A 24 11.708 1.443 15.394 1.00 0.00 C ATOM 0 H PHE A 24 14.568 0.122 11.365 1.00 0.00 H new ATOM 0 HA PHE A 24 14.741 2.911 12.073 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.865 0.341 13.176 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.245 1.918 13.839 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.435 -0.456 13.145 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.680 3.107 15.221 1.00 0.00 H new ATOM 0 HE1 PHE A 24 11.242 -0.365 14.310 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.484 3.202 16.372 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.744 1.500 15.877 1.00 0.00 H new ATOM 347 N TRP A 25 16.765 3.569 10.821 1.00 0.00 N ATOM 348 CA TRP A 25 17.895 4.079 10.064 1.00 0.00 C ATOM 349 C TRP A 25 18.144 5.530 10.493 1.00 0.00 C ATOM 350 O TRP A 25 17.571 5.979 11.485 1.00 0.00 O ATOM 351 CB TRP A 25 17.631 3.874 8.550 1.00 0.00 C ATOM 352 CG TRP A 25 17.429 5.082 7.682 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.333 5.592 6.814 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.300 6.006 7.658 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.803 6.709 6.200 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.574 7.043 6.720 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.088 6.096 8.369 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.688 8.103 6.488 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.197 7.168 8.162 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.491 8.167 7.217 1.00 0.00 C ATOM 0 H TRP A 25 16.074 4.289 11.031 1.00 0.00 H new ATOM 0 HA TRP A 25 18.817 3.536 10.270 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.470 3.311 8.142 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.746 3.245 8.451 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.317 5.188 6.630 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.266 7.224 5.452 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.836 5.329 9.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 15.924 8.862 5.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.282 7.223 8.733 1.00 0.00 H new ATOM 0 HH2 TRP A 25 13.799 8.980 7.053 1.00 0.00 H new ATOM 371 N ALA A 26 19.024 6.259 9.809 1.00 0.00 N ATOM 372 CA ALA A 26 19.174 7.703 9.905 1.00 0.00 C ATOM 373 C ALA A 26 19.930 8.134 8.643 1.00 0.00 C ATOM 374 O ALA A 26 20.767 7.358 8.174 1.00 0.00 O ATOM 375 CB ALA A 26 19.968 8.083 11.156 1.00 0.00 C ATOM 0 H ALA A 26 19.677 5.839 9.147 1.00 0.00 H new ATOM 0 HA ALA A 26 18.205 8.196 9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.068 9.167 11.208 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.445 7.724 12.042 1.00 0.00 H new ATOM 0 HB3 ALA A 26 20.958 7.629 11.111 1.00 0.00 H new ATOM 381 N PRO A 27 19.712 9.331 8.074 1.00 0.00 N ATOM 382 CA PRO A 27 20.405 9.741 6.856 1.00 0.00 C ATOM 383 C PRO A 27 21.934 9.811 6.951 1.00 0.00 C ATOM 384 O PRO A 27 22.589 9.786 5.908 1.00 0.00 O ATOM 385 CB PRO A 27 19.813 11.090 6.452 1.00 0.00 C ATOM 386 CG PRO A 27 18.447 11.107 7.138 1.00 0.00 C ATOM 387 CD PRO A 27 18.668 10.289 8.411 1.00 0.00 C ATOM 0 HA PRO A 27 20.244 8.969 6.103 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.439 11.918 6.786 1.00 0.00 H new ATOM 0 HB3 PRO A 27 19.719 11.178 5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.127 12.124 7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.677 10.664 6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.972 10.927 9.241 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.753 9.782 8.717 1.00 0.00 H new ATOM 395 N TRP A 28 22.529 9.866 8.149 1.00 0.00 N ATOM 396 CA TRP A 28 23.985 9.796 8.284 1.00 0.00 C ATOM 397 C TRP A 28 24.528 8.399 7.945 1.00 0.00 C ATOM 398 O TRP A 28 25.721 8.257 7.671 1.00 0.00 O ATOM 399 CB TRP A 28 24.431 10.220 9.692 1.00 0.00 C ATOM 400 CG TRP A 28 24.062 9.310 10.829 1.00 0.00 C ATOM 401 CD1 TRP A 28 23.003 9.481 11.651 1.00 0.00 C ATOM 402 CD2 TRP A 28 24.735 8.101 11.310 1.00 0.00 C ATOM 403 NE1 TRP A 28 22.976 8.482 12.602 1.00 0.00 N ATOM 404 CE2 TRP A 28 24.003 7.583 12.423 1.00 0.00 C ATOM 405 CE3 TRP A 28 25.888 7.383 10.921 1.00 0.00 C ATOM 406 CZ2 TRP A 28 24.379 6.408 13.092 1.00 0.00 C ATOM 407 CZ3 TRP A 28 26.272 6.199 11.582 1.00 0.00 C ATOM 408 CH2 TRP A 28 25.517 5.707 12.662 1.00 0.00 C ATOM 0 H TRP A 28 22.027 9.958 9.032 1.00 0.00 H new ATOM 0 HA TRP A 28 24.405 10.496 7.562 1.00 0.00 H new ATOM 0 HB2 TRP A 28 25.515 10.330 9.685 1.00 0.00 H new ATOM 0 HB3 TRP A 28 24.012 11.205 9.897 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.283 10.282 11.575 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.281 8.417 13.346 1.00 0.00 H new ATOM 0 HE3 TRP A 28 26.487 7.749 10.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 23.799 6.047 13.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 27.153 5.665 11.257 1.00 0.00 H new ATOM 0 HH2 TRP A 28 25.811 4.794 13.158 1.00 0.00 H new ATOM 419 N CYS A 29 23.671 7.373 7.998 1.00 0.00 N ATOM 420 CA CYS A 29 24.038 5.976 7.854 1.00 0.00 C ATOM 421 C CYS A 29 24.692 5.715 6.493 1.00 0.00 C ATOM 422 O CYS A 29 24.313 6.329 5.492 1.00 0.00 O ATOM 423 CB CYS A 29 22.768 5.134 8.006 1.00 0.00 C ATOM 424 SG CYS A 29 23.035 3.353 8.151 1.00 0.00 S ATOM 0 H CYS A 29 22.671 7.506 8.148 1.00 0.00 H new ATOM 0 HA CYS A 29 24.766 5.707 8.620 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.228 5.477 8.889 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.124 5.319 7.146 1.00 0.00 H new ATOM 429 N GLY A 30 25.612 4.749 6.446 1.00 0.00 N ATOM 430 CA GLY A 30 26.218 4.264 5.211 1.00 0.00 C ATOM 431 C GLY A 30 25.567 2.951 4.775 1.00 0.00 C ATOM 432 O GLY A 30 24.887 2.945 3.750 1.00 0.00 O ATOM 0 H GLY A 30 25.960 4.276 7.280 1.00 0.00 H new ATOM 0 HA2 GLY A 30 26.105 5.011 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.288 4.115 5.358 1.00 0.00 H new ATOM 436 N PRO A 31 25.679 1.851 5.550 1.00 0.00 N ATOM 437 CA PRO A 31 25.096 0.555 5.194 1.00 0.00 C ATOM 438 C PRO A 31 23.595 0.598 4.877 1.00 0.00 C ATOM 439 O PRO A 31 23.134 -0.134 4.002 1.00 0.00 O ATOM 440 CB PRO A 31 25.399 -0.371 6.377 1.00 0.00 C ATOM 441 CG PRO A 31 26.686 0.213 6.953 1.00 0.00 C ATOM 442 CD PRO A 31 26.507 1.715 6.742 1.00 0.00 C ATOM 0 HA PRO A 31 25.537 0.200 4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.592 -0.367 7.109 1.00 0.00 H new ATOM 0 HB3 PRO A 31 25.533 -1.404 6.056 1.00 0.00 H new ATOM 0 HG2 PRO A 31 26.805 -0.035 8.008 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.568 -0.165 6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 31 26.029 2.177 7.606 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.469 2.209 6.608 1.00 0.00 H new ATOM 450 N CYS A 32 22.834 1.488 5.526 1.00 0.00 N ATOM 451 CA CYS A 32 21.407 1.670 5.261 1.00 0.00 C ATOM 452 C CYS A 32 21.145 2.024 3.790 1.00 0.00 C ATOM 453 O CYS A 32 20.149 1.593 3.210 1.00 0.00 O ATOM 454 CB CYS A 32 20.828 2.773 6.155 1.00 0.00 C ATOM 455 SG CYS A 32 21.150 2.637 7.938 1.00 0.00 S ATOM 0 H CYS A 32 23.196 2.104 6.254 1.00 0.00 H new ATOM 0 HA CYS A 32 20.916 0.722 5.483 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.221 3.730 5.811 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.749 2.799 6.006 1.00 0.00 H new ATOM 460 N LYS A 33 22.048 2.783 3.161 1.00 0.00 N ATOM 461 CA LYS A 33 21.912 3.196 1.769 1.00 0.00 C ATOM 462 C LYS A 33 22.042 1.994 0.829 1.00 0.00 C ATOM 463 O LYS A 33 21.492 2.035 -0.268 1.00 0.00 O ATOM 464 CB LYS A 33 22.956 4.276 1.421 1.00 0.00 C ATOM 465 CG LYS A 33 23.034 5.458 2.409 1.00 0.00 C ATOM 466 CD LYS A 33 21.787 6.361 2.430 1.00 0.00 C ATOM 467 CE LYS A 33 21.789 7.365 3.602 1.00 0.00 C ATOM 468 NZ LYS A 33 23.056 8.128 3.718 1.00 0.00 N ATOM 0 H LYS A 33 22.897 3.128 3.610 1.00 0.00 H new ATOM 0 HA LYS A 33 20.918 3.623 1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.937 3.805 1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.733 4.667 0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.199 5.065 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.903 6.067 2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.726 6.909 1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.895 5.738 2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.962 8.064 3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.610 6.827 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.917 8.937 4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.800 7.510 4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.341 8.473 2.779 1.00 0.00 H new ATOM 482 N MET A 34 22.737 0.925 1.244 1.00 0.00 N ATOM 483 CA MET A 34 22.865 -0.292 0.453 1.00 0.00 C ATOM 484 C MET A 34 21.539 -1.047 0.418 1.00 0.00 C ATOM 485 O MET A 34 21.149 -1.547 -0.635 1.00 0.00 O ATOM 486 CB MET A 34 23.954 -1.223 1.012 1.00 0.00 C ATOM 487 CG MET A 34 25.311 -0.544 1.233 1.00 0.00 C ATOM 488 SD MET A 34 26.674 -1.664 1.681 1.00 0.00 S ATOM 489 CE MET A 34 25.927 -2.644 3.017 1.00 0.00 C ATOM 0 H MET A 34 23.224 0.887 2.139 1.00 0.00 H new ATOM 0 HA MET A 34 23.149 0.010 -0.555 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.610 -1.638 1.959 1.00 0.00 H new ATOM 0 HB3 MET A 34 24.087 -2.060 0.327 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.585 -0.010 0.323 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.202 0.203 2.020 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.711 -3.017 3.677 1.00 0.00 H new ATOM 0 HE2 MET A 34 25.240 -2.018 3.587 1.00 0.00 H new ATOM 0 HE3 MET A 34 25.382 -3.486 2.590 1.00 0.00 H new ATOM 499 N ILE A 35 20.846 -1.141 1.560 1.00 0.00 N ATOM 500 CA ILE A 35 19.610 -1.910 1.673 1.00 0.00 C ATOM 501 C ILE A 35 18.393 -1.092 1.214 1.00 0.00 C ATOM 502 O ILE A 35 17.402 -1.686 0.807 1.00 0.00 O ATOM 503 CB ILE A 35 19.472 -2.535 3.084 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.366 -3.612 3.108 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.282 -1.472 4.174 1.00 0.00 C ATOM 506 CD1 ILE A 35 18.284 -4.402 4.419 1.00 0.00 C ATOM 0 H ILE A 35 21.130 -0.685 2.427 1.00 0.00 H new ATOM 0 HA ILE A 35 19.655 -2.754 0.985 1.00 0.00 H new ATOM 0 HB ILE A 35 20.413 -3.034 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.404 -3.133 2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.536 -4.309 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 35 19.190 -1.959 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 35 20.142 -0.803 4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.378 -0.898 3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.482 -5.137 4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 35 19.230 -4.913 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 35 18.081 -3.719 5.244 1.00 0.00 H new ATOM 518 N ALA A 36 18.447 0.245 1.212 1.00 0.00 N ATOM 519 CA ALA A 36 17.342 1.091 0.753 1.00 0.00 C ATOM 520 C ALA A 36 16.764 0.679 -0.622 1.00 0.00 C ATOM 521 O ALA A 36 15.553 0.458 -0.696 1.00 0.00 O ATOM 522 CB ALA A 36 17.760 2.567 0.794 1.00 0.00 C ATOM 0 H ALA A 36 19.261 0.771 1.530 1.00 0.00 H new ATOM 0 HA ALA A 36 16.515 0.941 1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.933 3.189 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.022 2.843 1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.622 2.719 0.144 1.00 0.00 H new ATOM 528 N PRO A 37 17.557 0.492 -1.698 1.00 0.00 N ATOM 529 CA PRO A 37 17.011 0.033 -2.973 1.00 0.00 C ATOM 530 C PRO A 37 16.486 -1.405 -2.897 1.00 0.00 C ATOM 531 O PRO A 37 15.548 -1.750 -3.612 1.00 0.00 O ATOM 532 CB PRO A 37 18.139 0.183 -3.999 1.00 0.00 C ATOM 533 CG PRO A 37 19.407 0.124 -3.152 1.00 0.00 C ATOM 534 CD PRO A 37 18.974 0.791 -1.848 1.00 0.00 C ATOM 0 HA PRO A 37 16.143 0.628 -3.259 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.115 -0.616 -4.740 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.064 1.125 -4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.739 -0.902 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.233 0.656 -3.623 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.546 0.406 -1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.144 1.867 -1.884 1.00 0.00 H new ATOM 542 N VAL A 38 17.043 -2.240 -2.017 1.00 0.00 N ATOM 543 CA VAL A 38 16.539 -3.585 -1.781 1.00 0.00 C ATOM 544 C VAL A 38 15.147 -3.500 -1.142 1.00 0.00 C ATOM 545 O VAL A 38 14.267 -4.264 -1.528 1.00 0.00 O ATOM 546 CB VAL A 38 17.533 -4.416 -0.940 1.00 0.00 C ATOM 547 CG1 VAL A 38 17.132 -5.894 -0.932 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.971 -4.329 -1.482 1.00 0.00 C ATOM 0 H VAL A 38 17.856 -1.998 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 38 16.441 -4.110 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 38 17.500 -3.998 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.845 -6.461 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.135 -5.998 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.130 -6.276 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.632 -4.930 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.998 -4.705 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.303 -3.291 -1.468 1.00 0.00 H new ATOM 558 N LEU A 39 14.907 -2.558 -0.220 1.00 0.00 N ATOM 559 CA LEU A 39 13.580 -2.320 0.338 1.00 0.00 C ATOM 560 C LEU A 39 12.627 -1.768 -0.715 1.00 0.00 C ATOM 561 O LEU A 39 11.452 -2.120 -0.686 1.00 0.00 O ATOM 562 CB LEU A 39 13.621 -1.384 1.556 1.00 0.00 C ATOM 563 CG LEU A 39 14.352 -1.970 2.778 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.354 -0.942 3.915 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.728 -3.287 3.271 1.00 0.00 C ATOM 0 H LEU A 39 15.629 -1.944 0.156 1.00 0.00 H new ATOM 0 HA LEU A 39 13.208 -3.288 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.108 -0.452 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.599 -1.134 1.843 1.00 0.00 H new ATOM 0 HG LEU A 39 15.372 -2.196 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.871 -1.357 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.865 -0.037 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.327 -0.700 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.285 -3.653 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.690 -3.114 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.766 -4.029 2.473 1.00 0.00 H new ATOM 577 N GLU A 40 13.092 -0.946 -1.658 1.00 0.00 N ATOM 578 CA GLU A 40 12.256 -0.533 -2.784 1.00 0.00 C ATOM 579 C GLU A 40 11.855 -1.742 -3.634 1.00 0.00 C ATOM 580 O GLU A 40 10.689 -1.882 -4.015 1.00 0.00 O ATOM 581 CB GLU A 40 12.935 0.554 -3.632 1.00 0.00 C ATOM 582 CG GLU A 40 13.015 1.899 -2.895 1.00 0.00 C ATOM 583 CD GLU A 40 13.637 2.994 -3.780 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.905 3.627 -4.575 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.857 3.253 -3.677 1.00 0.00 O ATOM 0 H GLU A 40 14.035 -0.557 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 40 11.346 -0.092 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.940 0.228 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.383 0.684 -4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.016 2.205 -2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.608 1.783 -1.988 1.00 0.00 H new ATOM 592 N GLU A 41 12.791 -2.642 -3.930 1.00 0.00 N ATOM 593 CA GLU A 41 12.487 -3.858 -4.672 1.00 0.00 C ATOM 594 C GLU A 41 11.538 -4.757 -3.873 1.00 0.00 C ATOM 595 O GLU A 41 10.621 -5.342 -4.444 1.00 0.00 O ATOM 596 CB GLU A 41 13.772 -4.602 -5.062 1.00 0.00 C ATOM 597 CG GLU A 41 14.517 -3.899 -6.205 1.00 0.00 C ATOM 598 CD GLU A 41 15.760 -4.696 -6.641 1.00 0.00 C ATOM 599 OE1 GLU A 41 16.862 -4.480 -6.087 1.00 0.00 O ATOM 600 OE2 GLU A 41 15.652 -5.536 -7.563 1.00 0.00 O ATOM 0 H GLU A 41 13.771 -2.548 -3.664 1.00 0.00 H new ATOM 0 HA GLU A 41 11.980 -3.577 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.426 -4.676 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.525 -5.620 -5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.847 -3.774 -7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.817 -2.901 -5.886 1.00 0.00 H new ATOM 607 N LEU A 42 11.717 -4.833 -2.552 1.00 0.00 N ATOM 608 CA LEU A 42 10.849 -5.593 -1.663 1.00 0.00 C ATOM 609 C LEU A 42 9.434 -5.012 -1.690 1.00 0.00 C ATOM 610 O LEU A 42 8.464 -5.760 -1.796 1.00 0.00 O ATOM 611 CB LEU A 42 11.416 -5.590 -0.229 1.00 0.00 C ATOM 612 CG LEU A 42 10.568 -6.403 0.768 1.00 0.00 C ATOM 613 CD1 LEU A 42 10.511 -7.888 0.402 1.00 0.00 C ATOM 614 CD2 LEU A 42 11.158 -6.263 2.175 1.00 0.00 C ATOM 0 H LEU A 42 12.480 -4.360 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 42 10.805 -6.626 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.429 -5.993 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.489 -4.561 0.123 1.00 0.00 H new ATOM 0 HG LEU A 42 9.553 -6.006 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.902 -8.420 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.070 -8.002 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.520 -8.301 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.558 -6.838 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.182 -6.638 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.155 -5.213 2.468 1.00 0.00 H new ATOM 626 N ASP A 43 9.305 -3.686 -1.634 1.00 0.00 N ATOM 627 CA ASP A 43 8.021 -3.001 -1.707 1.00 0.00 C ATOM 628 C ASP A 43 7.305 -3.322 -3.010 1.00 0.00 C ATOM 629 O ASP A 43 6.106 -3.592 -3.022 1.00 0.00 O ATOM 630 CB ASP A 43 8.202 -1.484 -1.621 1.00 0.00 C ATOM 631 CG ASP A 43 6.833 -0.810 -1.479 1.00 0.00 C ATOM 632 OD1 ASP A 43 6.157 -1.058 -0.456 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.450 -0.021 -2.372 1.00 0.00 O ATOM 0 H ASP A 43 10.099 -3.054 -1.536 1.00 0.00 H new ATOM 0 HA ASP A 43 7.426 -3.350 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.833 -1.231 -0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.708 -1.117 -2.514 1.00 0.00 H new ATOM 638 N GLN A 44 8.055 -3.346 -4.110 1.00 0.00 N ATOM 639 CA GLN A 44 7.516 -3.625 -5.433 1.00 0.00 C ATOM 640 C GLN A 44 7.127 -5.105 -5.610 1.00 0.00 C ATOM 641 O GLN A 44 6.458 -5.442 -6.590 1.00 0.00 O ATOM 642 CB GLN A 44 8.512 -3.134 -6.491 1.00 0.00 C ATOM 643 CG GLN A 44 8.578 -1.595 -6.495 1.00 0.00 C ATOM 644 CD GLN A 44 9.742 -1.094 -7.346 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.597 -0.790 -8.529 1.00 0.00 O ATOM 646 NE2 GLN A 44 10.924 -1.013 -6.760 1.00 0.00 N ATOM 0 H GLN A 44 9.060 -3.171 -4.105 1.00 0.00 H new ATOM 0 HA GLN A 44 6.582 -3.078 -5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.500 -3.546 -6.288 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.213 -3.494 -7.475 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.642 -1.189 -6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.688 -1.231 -5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.025 -1.269 -5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.735 -0.694 -7.290 1.00 0.00 H new ATOM 655 N GLU A 45 7.500 -5.985 -4.676 1.00 0.00 N ATOM 656 CA GLU A 45 7.194 -7.410 -4.694 1.00 0.00 C ATOM 657 C GLU A 45 6.093 -7.762 -3.699 1.00 0.00 C ATOM 658 O GLU A 45 5.273 -8.635 -3.991 1.00 0.00 O ATOM 659 CB GLU A 45 8.473 -8.210 -4.395 1.00 0.00 C ATOM 660 CG GLU A 45 9.362 -8.218 -5.645 1.00 0.00 C ATOM 661 CD GLU A 45 10.673 -9.003 -5.491 1.00 0.00 C ATOM 662 OE1 GLU A 45 10.916 -9.686 -4.471 1.00 0.00 O ATOM 663 OE2 GLU A 45 11.506 -8.957 -6.424 1.00 0.00 O ATOM 0 H GLU A 45 8.043 -5.709 -3.858 1.00 0.00 H new ATOM 0 HA GLU A 45 6.825 -7.672 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.008 -7.765 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.220 -9.230 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.796 -8.641 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.599 -7.188 -5.913 1.00 0.00 H new ATOM 670 N MET A 46 6.030 -7.062 -2.562 1.00 0.00 N ATOM 671 CA MET A 46 5.184 -7.449 -1.439 1.00 0.00 C ATOM 672 C MET A 46 4.177 -6.370 -1.064 1.00 0.00 C ATOM 673 O MET A 46 3.353 -6.625 -0.195 1.00 0.00 O ATOM 674 CB MET A 46 6.046 -7.797 -0.215 1.00 0.00 C ATOM 675 CG MET A 46 7.172 -8.799 -0.505 1.00 0.00 C ATOM 676 SD MET A 46 6.689 -10.370 -1.276 1.00 0.00 S ATOM 677 CE MET A 46 6.038 -11.262 0.158 1.00 0.00 C ATOM 0 H MET A 46 6.567 -6.210 -2.399 1.00 0.00 H new ATOM 0 HA MET A 46 4.621 -8.326 -1.759 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.483 -6.880 0.180 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.403 -8.205 0.565 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.902 -8.313 -1.153 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.678 -9.023 0.434 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.479 -12.134 -0.179 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.864 -11.584 0.792 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.379 -10.606 0.726 1.00 0.00 H new ATOM 687 N GLY A 47 4.200 -5.189 -1.685 1.00 0.00 N ATOM 688 CA GLY A 47 3.374 -4.040 -1.305 1.00 0.00 C ATOM 689 C GLY A 47 1.863 -4.287 -1.326 1.00 0.00 C ATOM 690 O GLY A 47 1.108 -3.503 -0.756 1.00 0.00 O ATOM 0 H GLY A 47 4.806 -5.000 -2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.660 -3.723 -0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.600 -3.212 -1.977 1.00 0.00 H new ATOM 694 N ASP A 48 1.404 -5.379 -1.941 1.00 0.00 N ATOM 695 CA ASP A 48 0.008 -5.815 -1.903 1.00 0.00 C ATOM 696 C ASP A 48 -0.390 -6.330 -0.513 1.00 0.00 C ATOM 697 O ASP A 48 -1.561 -6.281 -0.135 1.00 0.00 O ATOM 698 CB ASP A 48 -0.218 -6.911 -2.949 1.00 0.00 C ATOM 699 CG ASP A 48 -1.686 -7.373 -2.973 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.562 -6.592 -3.410 1.00 0.00 O ATOM 701 OD2 ASP A 48 -1.962 -8.535 -2.603 1.00 0.00 O ATOM 0 H ASP A 48 2.004 -5.996 -2.489 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.619 -4.952 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.064 -6.539 -3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.429 -7.761 -2.732 1.00 0.00 H new ATOM 706 N LYS A 49 0.591 -6.800 0.266 1.00 0.00 N ATOM 707 CA LYS A 49 0.437 -7.413 1.585 1.00 0.00 C ATOM 708 C LYS A 49 1.267 -6.684 2.647 1.00 0.00 C ATOM 709 O LYS A 49 1.003 -6.863 3.835 1.00 0.00 O ATOM 710 CB LYS A 49 0.892 -8.887 1.515 1.00 0.00 C ATOM 711 CG LYS A 49 0.201 -9.796 0.481 1.00 0.00 C ATOM 712 CD LYS A 49 -1.203 -10.301 0.860 1.00 0.00 C ATOM 713 CE LYS A 49 -2.292 -9.226 0.769 1.00 0.00 C ATOM 714 NZ LYS A 49 -3.655 -9.787 0.945 1.00 0.00 N ATOM 0 H LYS A 49 1.567 -6.759 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.613 -7.346 1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.963 -8.899 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.750 -9.330 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.128 -9.252 -0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.840 -10.660 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.469 -11.131 0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.176 -10.693 1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.113 -8.466 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.229 -8.729 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.357 -9.023 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.838 -10.493 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.727 -10.239 1.879 1.00 0.00 H new ATOM 728 N LEU A 50 2.254 -5.875 2.245 1.00 0.00 N ATOM 729 CA LEU A 50 3.259 -5.292 3.124 1.00 0.00 C ATOM 730 C LEU A 50 3.190 -3.765 3.099 1.00 0.00 C ATOM 731 O LEU A 50 2.698 -3.161 2.145 1.00 0.00 O ATOM 732 CB LEU A 50 4.642 -5.793 2.648 1.00 0.00 C ATOM 733 CG LEU A 50 5.839 -5.498 3.571 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.627 -6.124 4.951 1.00 0.00 C ATOM 735 CD2 LEU A 50 7.129 -6.045 2.950 1.00 0.00 C ATOM 0 H LEU A 50 2.374 -5.604 1.269 1.00 0.00 H new ATOM 0 HA LEU A 50 3.082 -5.597 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.582 -6.872 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.847 -5.351 1.673 1.00 0.00 H new ATOM 0 HG LEU A 50 5.923 -4.417 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.485 -5.903 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.725 -5.712 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.520 -7.204 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.970 -5.831 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.039 -7.123 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.297 -5.570 1.983 1.00 0.00 H new ATOM 747 N LYS A 51 3.734 -3.138 4.136 1.00 0.00 N ATOM 748 CA LYS A 51 4.017 -1.709 4.239 1.00 0.00 C ATOM 749 C LYS A 51 5.425 -1.650 4.820 1.00 0.00 C ATOM 750 O LYS A 51 5.761 -2.495 5.656 1.00 0.00 O ATOM 751 CB LYS A 51 2.986 -1.036 5.166 1.00 0.00 C ATOM 752 CG LYS A 51 3.224 0.477 5.351 1.00 0.00 C ATOM 753 CD LYS A 51 2.481 1.069 6.555 1.00 0.00 C ATOM 754 CE LYS A 51 0.958 1.052 6.397 1.00 0.00 C ATOM 755 NZ LYS A 51 0.315 1.703 7.556 1.00 0.00 N ATOM 0 H LYS A 51 4.006 -3.644 4.979 1.00 0.00 H new ATOM 0 HA LYS A 51 3.953 -1.183 3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.987 -1.192 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.013 -1.522 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.293 0.657 5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.910 1.000 4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.752 0.510 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.812 2.096 6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.675 1.567 5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.606 0.024 6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.718 1.669 7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.585 1.205 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.625 2.694 7.613 1.00 0.00 H new ATOM 769 N ILE A 52 6.237 -0.676 4.427 1.00 0.00 N ATOM 770 CA ILE A 52 7.571 -0.481 4.988 1.00 0.00 C ATOM 771 C ILE A 52 7.524 0.879 5.690 1.00 0.00 C ATOM 772 O ILE A 52 6.879 1.792 5.183 1.00 0.00 O ATOM 773 CB ILE A 52 8.645 -0.624 3.879 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.579 -2.039 3.246 1.00 0.00 C ATOM 775 CG2 ILE A 52 10.060 -0.320 4.409 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.601 -2.302 2.132 1.00 0.00 C ATOM 0 H ILE A 52 5.989 0.004 3.708 1.00 0.00 H new ATOM 0 HA ILE A 52 7.858 -1.237 5.719 1.00 0.00 H new ATOM 0 HB ILE A 52 8.428 0.114 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.724 -2.779 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.578 -2.194 2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.783 -0.432 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.095 0.701 4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.304 -1.014 5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.475 -3.317 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.446 -1.591 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.610 -2.186 2.529 1.00 0.00 H new ATOM 788 N VAL A 53 8.159 1.031 6.853 1.00 0.00 N ATOM 789 CA VAL A 53 8.037 2.237 7.679 1.00 0.00 C ATOM 790 C VAL A 53 9.440 2.669 8.104 1.00 0.00 C ATOM 791 O VAL A 53 10.009 2.135 9.055 1.00 0.00 O ATOM 792 CB VAL A 53 7.069 1.977 8.861 1.00 0.00 C ATOM 793 CG1 VAL A 53 7.018 3.147 9.857 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.632 1.755 8.362 1.00 0.00 C ATOM 0 H VAL A 53 8.774 0.321 7.251 1.00 0.00 H new ATOM 0 HA VAL A 53 7.597 3.063 7.121 1.00 0.00 H new ATOM 0 HB VAL A 53 7.458 1.089 9.359 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.324 2.909 10.663 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.012 3.315 10.272 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.682 4.048 9.343 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.975 1.575 9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.293 2.640 7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.607 0.893 7.696 1.00 0.00 H new ATOM 804 N LYS A 54 10.030 3.619 7.379 1.00 0.00 N ATOM 805 CA LYS A 54 11.345 4.153 7.716 1.00 0.00 C ATOM 806 C LYS A 54 11.180 5.098 8.904 1.00 0.00 C ATOM 807 O LYS A 54 10.305 5.972 8.883 1.00 0.00 O ATOM 808 CB LYS A 54 11.971 4.847 6.493 1.00 0.00 C ATOM 809 CG LYS A 54 12.111 3.881 5.301 1.00 0.00 C ATOM 810 CD LYS A 54 12.748 4.526 4.061 1.00 0.00 C ATOM 811 CE LYS A 54 14.158 5.090 4.289 1.00 0.00 C ATOM 812 NZ LYS A 54 15.182 4.046 4.554 1.00 0.00 N ATOM 0 H LYS A 54 9.612 4.036 6.548 1.00 0.00 H new ATOM 0 HA LYS A 54 12.030 3.353 7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.355 5.698 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.952 5.241 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.714 3.025 5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.125 3.498 5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.792 3.784 3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.101 5.331 3.713 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.456 5.665 3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.131 5.782 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.111 4.496 4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.929 3.523 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.223 3.388 3.750 1.00 0.00 H new ATOM 826 N ILE A 55 12.018 4.956 9.929 1.00 0.00 N ATOM 827 CA ILE A 55 11.985 5.783 11.129 1.00 0.00 C ATOM 828 C ILE A 55 13.433 6.077 11.537 1.00 0.00 C ATOM 829 O ILE A 55 14.308 5.206 11.492 1.00 0.00 O ATOM 830 CB ILE A 55 11.097 5.122 12.214 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.042 6.018 13.471 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.518 3.678 12.547 1.00 0.00 C ATOM 833 CD1 ILE A 55 9.905 5.668 14.438 1.00 0.00 C ATOM 0 H ILE A 55 12.752 4.248 9.947 1.00 0.00 H new ATOM 0 HA ILE A 55 11.510 6.749 10.957 1.00 0.00 H new ATOM 0 HB ILE A 55 10.091 5.036 11.804 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.992 5.942 14.001 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.933 7.057 13.159 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.856 3.274 13.313 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.452 3.064 11.649 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.544 3.674 12.915 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.935 6.342 15.294 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.948 5.772 13.927 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.023 4.640 14.781 1.00 0.00 H new ATOM 845 N ASP A 56 13.696 7.338 11.881 1.00 0.00 N ATOM 846 CA ASP A 56 15.040 7.868 12.054 1.00 0.00 C ATOM 847 C ASP A 56 15.441 7.875 13.526 1.00 0.00 C ATOM 848 O ASP A 56 14.846 8.587 14.335 1.00 0.00 O ATOM 849 CB ASP A 56 15.174 9.258 11.418 1.00 0.00 C ATOM 850 CG ASP A 56 14.253 10.327 12.014 1.00 0.00 C ATOM 851 OD1 ASP A 56 13.016 10.134 11.934 1.00 0.00 O ATOM 852 OD2 ASP A 56 14.763 11.370 12.474 1.00 0.00 O ATOM 0 H ASP A 56 12.965 8.029 12.049 1.00 0.00 H new ATOM 0 HA ASP A 56 15.733 7.208 11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.207 9.591 11.519 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.969 9.175 10.351 1.00 0.00 H new ATOM 857 N VAL A 57 16.457 7.095 13.897 1.00 0.00 N ATOM 858 CA VAL A 57 16.906 6.985 15.289 1.00 0.00 C ATOM 859 C VAL A 57 17.385 8.331 15.856 1.00 0.00 C ATOM 860 O VAL A 57 17.398 8.508 17.073 1.00 0.00 O ATOM 861 CB VAL A 57 17.967 5.871 15.452 1.00 0.00 C ATOM 862 CG1 VAL A 57 17.377 4.502 15.086 1.00 0.00 C ATOM 863 CG2 VAL A 57 19.247 6.100 14.633 1.00 0.00 C ATOM 0 H VAL A 57 16.992 6.522 13.244 1.00 0.00 H new ATOM 0 HA VAL A 57 16.040 6.696 15.884 1.00 0.00 H new ATOM 0 HB VAL A 57 18.252 5.898 16.504 1.00 0.00 H new ATOM 0 HG11 VAL A 57 18.140 3.733 15.208 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.533 4.283 15.740 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.039 4.517 14.050 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.940 5.276 14.802 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.997 6.152 13.573 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.714 7.035 14.942 1.00 0.00 H new ATOM 873 N ASP A 58 17.725 9.298 14.995 1.00 0.00 N ATOM 874 CA ASP A 58 18.180 10.635 15.379 1.00 0.00 C ATOM 875 C ASP A 58 17.112 11.438 16.136 1.00 0.00 C ATOM 876 O ASP A 58 17.463 12.323 16.917 1.00 0.00 O ATOM 877 CB ASP A 58 18.637 11.403 14.134 1.00 0.00 C ATOM 878 CG ASP A 58 19.230 12.775 14.500 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.294 12.820 15.159 1.00 0.00 O ATOM 880 OD2 ASP A 58 18.676 13.815 14.078 1.00 0.00 O ATOM 0 H ASP A 58 17.689 9.166 13.984 1.00 0.00 H new ATOM 0 HA ASP A 58 19.016 10.505 16.066 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.382 10.816 13.597 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.792 11.540 13.460 1.00 0.00 H new ATOM 885 N GLU A 59 15.825 11.096 15.996 1.00 0.00 N ATOM 886 CA GLU A 59 14.723 11.770 16.695 1.00 0.00 C ATOM 887 C GLU A 59 13.752 10.780 17.363 1.00 0.00 C ATOM 888 O GLU A 59 12.771 11.206 17.974 1.00 0.00 O ATOM 889 CB GLU A 59 13.973 12.711 15.731 1.00 0.00 C ATOM 890 CG GLU A 59 14.832 13.899 15.265 1.00 0.00 C ATOM 891 CD GLU A 59 13.996 14.957 14.517 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.261 15.732 15.173 1.00 0.00 O ATOM 893 OE2 GLU A 59 14.090 15.063 13.273 1.00 0.00 O ATOM 0 H GLU A 59 15.516 10.337 15.389 1.00 0.00 H new ATOM 0 HA GLU A 59 15.164 12.361 17.497 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.644 12.144 14.860 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.077 13.088 16.223 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.312 14.360 16.128 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.627 13.538 14.613 1.00 0.00 H new ATOM 900 N ASN A 60 14.012 9.469 17.279 1.00 0.00 N ATOM 901 CA ASN A 60 13.066 8.422 17.692 1.00 0.00 C ATOM 902 C ASN A 60 13.743 7.409 18.617 1.00 0.00 C ATOM 903 O ASN A 60 13.501 6.202 18.523 1.00 0.00 O ATOM 904 CB ASN A 60 12.408 7.766 16.466 1.00 0.00 C ATOM 905 CG ASN A 60 11.613 8.768 15.637 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.497 9.139 15.985 1.00 0.00 O ATOM 907 ND2 ASN A 60 12.169 9.232 14.533 1.00 0.00 N ATOM 0 H ASN A 60 14.893 9.101 16.919 1.00 0.00 H new ATOM 0 HA ASN A 60 12.263 8.881 18.269 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.177 7.310 15.843 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.748 6.964 16.795 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.670 9.909 13.956 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.098 8.914 14.257 1.00 0.00 H new ATOM 914 N GLN A 61 14.604 7.898 19.520 1.00 0.00 N ATOM 915 CA GLN A 61 15.283 7.078 20.519 1.00 0.00 C ATOM 916 C GLN A 61 14.295 6.272 21.362 1.00 0.00 C ATOM 917 O GLN A 61 14.626 5.173 21.796 1.00 0.00 O ATOM 918 CB GLN A 61 16.131 7.946 21.463 1.00 0.00 C ATOM 919 CG GLN A 61 17.278 8.686 20.763 1.00 0.00 C ATOM 920 CD GLN A 61 16.935 10.124 20.372 1.00 0.00 C ATOM 921 OE1 GLN A 61 16.670 10.982 21.210 1.00 0.00 O ATOM 922 NE2 GLN A 61 16.941 10.414 19.086 1.00 0.00 N ATOM 0 H GLN A 61 14.848 8.887 19.573 1.00 0.00 H new ATOM 0 HA GLN A 61 15.925 6.391 19.967 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.484 8.676 21.949 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.545 7.314 22.248 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.147 8.695 21.421 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.562 8.133 19.867 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.163 9.691 18.401 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.724 11.361 18.776 1.00 0.00 H new ATOM 931 N GLU A 62 13.092 6.793 21.606 1.00 0.00 N ATOM 932 CA GLU A 62 12.084 6.151 22.415 1.00 0.00 C ATOM 933 C GLU A 62 11.570 4.881 21.727 1.00 0.00 C ATOM 934 O GLU A 62 11.518 3.822 22.352 1.00 0.00 O ATOM 935 CB GLU A 62 11.011 7.226 22.614 1.00 0.00 C ATOM 936 CG GLU A 62 9.758 6.750 23.330 1.00 0.00 C ATOM 937 CD GLU A 62 9.986 6.251 24.770 1.00 0.00 C ATOM 938 OE1 GLU A 62 10.777 6.858 25.529 1.00 0.00 O ATOM 939 OE2 GLU A 62 9.333 5.261 25.167 1.00 0.00 O ATOM 0 H GLU A 62 12.795 7.695 21.233 1.00 0.00 H new ATOM 0 HA GLU A 62 12.454 5.802 23.379 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.444 8.052 23.179 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.727 7.621 21.639 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.037 7.568 23.354 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.308 5.945 22.749 1.00 0.00 H new ATOM 946 N THR A 63 11.244 4.950 20.434 1.00 0.00 N ATOM 947 CA THR A 63 10.760 3.807 19.676 1.00 0.00 C ATOM 948 C THR A 63 11.902 2.800 19.479 1.00 0.00 C ATOM 949 O THR A 63 11.697 1.600 19.606 1.00 0.00 O ATOM 950 CB THR A 63 10.215 4.276 18.318 1.00 0.00 C ATOM 951 OG1 THR A 63 9.800 5.626 18.337 1.00 0.00 O ATOM 952 CG2 THR A 63 9.068 3.412 17.793 1.00 0.00 C ATOM 0 H THR A 63 11.311 5.808 19.886 1.00 0.00 H new ATOM 0 HA THR A 63 9.953 3.321 20.225 1.00 0.00 H new ATOM 0 HB THR A 63 11.061 4.171 17.638 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.165 5.763 19.071 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.731 3.799 16.831 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.413 2.385 17.670 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.241 3.435 18.503 1.00 0.00 H new ATOM 960 N ALA A 64 13.123 3.274 19.222 1.00 0.00 N ATOM 961 CA ALA A 64 14.308 2.430 19.141 1.00 0.00 C ATOM 962 C ALA A 64 14.529 1.684 20.462 1.00 0.00 C ATOM 963 O ALA A 64 14.697 0.463 20.469 1.00 0.00 O ATOM 964 CB ALA A 64 15.510 3.313 18.775 1.00 0.00 C ATOM 0 H ALA A 64 13.314 4.263 19.064 1.00 0.00 H new ATOM 0 HA ALA A 64 14.179 1.671 18.369 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.407 2.697 18.710 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.329 3.794 17.814 1.00 0.00 H new ATOM 0 HB3 ALA A 64 15.648 4.076 19.541 1.00 0.00 H new ATOM 970 N GLY A 65 14.455 2.397 21.588 1.00 0.00 N ATOM 971 CA GLY A 65 14.608 1.833 22.922 1.00 0.00 C ATOM 972 C GLY A 65 13.518 0.811 23.236 1.00 0.00 C ATOM 973 O GLY A 65 13.770 -0.135 23.983 1.00 0.00 O ATOM 0 H GLY A 65 14.283 3.402 21.593 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.586 1.358 23.006 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.578 2.634 23.661 1.00 0.00 H new ATOM 977 N LYS A 66 12.339 0.941 22.613 1.00 0.00 N ATOM 978 CA LYS A 66 11.215 0.021 22.766 1.00 0.00 C ATOM 979 C LYS A 66 11.610 -1.421 22.440 1.00 0.00 C ATOM 980 O LYS A 66 11.038 -2.341 23.027 1.00 0.00 O ATOM 981 CB LYS A 66 10.052 0.489 21.864 1.00 0.00 C ATOM 982 CG LYS A 66 8.649 0.110 22.366 1.00 0.00 C ATOM 983 CD LYS A 66 8.274 0.681 23.747 1.00 0.00 C ATOM 984 CE LYS A 66 8.553 2.190 23.853 1.00 0.00 C ATOM 985 NZ LYS A 66 8.208 2.740 25.184 1.00 0.00 N ATOM 0 H LYS A 66 12.140 1.710 21.973 1.00 0.00 H new ATOM 0 HA LYS A 66 10.897 0.032 23.809 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.105 1.573 21.762 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.192 0.068 20.868 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.914 0.452 21.637 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.576 -0.977 22.407 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.217 0.495 23.939 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.836 0.155 24.519 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.607 2.376 23.649 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.983 2.716 23.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.431 3.756 25.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.193 2.604 25.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.758 2.248 25.916 1.00 0.00 H new ATOM 999 N TYR A 67 12.601 -1.621 21.561 1.00 0.00 N ATOM 1000 CA TYR A 67 13.075 -2.947 21.154 1.00 0.00 C ATOM 1001 C TYR A 67 14.584 -3.106 21.395 1.00 0.00 C ATOM 1002 O TYR A 67 15.189 -4.063 20.908 1.00 0.00 O ATOM 1003 CB TYR A 67 12.698 -3.219 19.687 1.00 0.00 C ATOM 1004 CG TYR A 67 11.406 -2.567 19.235 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.165 -3.054 19.686 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.463 -1.396 18.459 1.00 0.00 C ATOM 1007 CE1 TYR A 67 8.982 -2.360 19.372 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.289 -0.695 18.151 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.041 -1.168 18.617 1.00 0.00 C ATOM 1010 OH TYR A 67 7.896 -0.466 18.389 1.00 0.00 O ATOM 0 H TYR A 67 13.101 -0.856 21.108 1.00 0.00 H new ATOM 0 HA TYR A 67 12.580 -3.694 21.775 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.509 -2.871 19.047 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.617 -4.296 19.540 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.121 -3.960 20.273 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.415 -1.035 18.099 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.028 -2.739 19.709 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.338 0.206 17.558 1.00 0.00 H new ATOM 0 HH TYR A 67 7.996 0.067 17.573 1.00 0.00 H new ATOM 1020 N GLY A 68 15.207 -2.173 22.126 1.00 0.00 N ATOM 1021 CA GLY A 68 16.642 -2.173 22.386 1.00 0.00 C ATOM 1022 C GLY A 68 17.475 -2.004 21.112 1.00 0.00 C ATOM 1023 O GLY A 68 18.581 -2.542 21.035 1.00 0.00 O ATOM 0 H GLY A 68 14.717 -1.389 22.557 1.00 0.00 H new ATOM 0 HA2 GLY A 68 16.881 -1.368 23.081 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.918 -3.108 22.874 1.00 0.00 H new ATOM 1027 N VAL A 69 16.959 -1.295 20.103 1.00 0.00 N ATOM 1028 CA VAL A 69 17.724 -0.933 18.913 1.00 0.00 C ATOM 1029 C VAL A 69 18.832 0.029 19.362 1.00 0.00 C ATOM 1030 O VAL A 69 18.551 1.049 19.997 1.00 0.00 O ATOM 1031 CB VAL A 69 16.795 -0.311 17.843 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.564 0.053 16.566 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.627 -1.240 17.477 1.00 0.00 C ATOM 0 H VAL A 69 15.997 -0.957 20.092 1.00 0.00 H new ATOM 0 HA VAL A 69 18.175 -1.809 18.446 1.00 0.00 H new ATOM 0 HB VAL A 69 16.392 0.597 18.291 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.877 0.487 15.839 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.344 0.776 16.805 1.00 0.00 H new ATOM 0 HG13 VAL A 69 18.018 -0.845 16.146 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.003 -0.760 16.723 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.018 -2.178 17.082 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.030 -1.442 18.367 1.00 0.00 H new ATOM 1043 N MET A 70 20.086 -0.298 19.035 1.00 0.00 N ATOM 1044 CA MET A 70 21.276 0.486 19.388 1.00 0.00 C ATOM 1045 C MET A 70 22.251 0.595 18.201 1.00 0.00 C ATOM 1046 O MET A 70 23.328 1.180 18.335 1.00 0.00 O ATOM 1047 CB MET A 70 21.973 -0.152 20.603 1.00 0.00 C ATOM 1048 CG MET A 70 21.128 -0.081 21.881 1.00 0.00 C ATOM 1049 SD MET A 70 21.939 -0.768 23.350 1.00 0.00 S ATOM 1050 CE MET A 70 20.602 -0.547 24.556 1.00 0.00 C ATOM 0 H MET A 70 20.309 -1.139 18.502 1.00 0.00 H new ATOM 0 HA MET A 70 20.959 1.497 19.644 1.00 0.00 H new ATOM 0 HB2 MET A 70 22.198 -1.195 20.380 1.00 0.00 H new ATOM 0 HB3 MET A 70 22.925 0.350 20.775 1.00 0.00 H new ATOM 0 HG2 MET A 70 20.871 0.960 22.076 1.00 0.00 H new ATOM 0 HG3 MET A 70 20.192 -0.614 21.714 1.00 0.00 H new ATOM 0 HE1 MET A 70 20.925 -0.918 25.529 1.00 0.00 H new ATOM 0 HE2 MET A 70 20.355 0.512 24.635 1.00 0.00 H new ATOM 0 HE3 MET A 70 19.722 -1.102 24.230 1.00 0.00 H new ATOM 1060 N SER A 71 21.868 0.062 17.038 1.00 0.00 N ATOM 1061 CA SER A 71 22.624 0.051 15.798 1.00 0.00 C ATOM 1062 C SER A 71 21.631 0.212 14.644 1.00 0.00 C ATOM 1063 O SER A 71 20.433 -0.026 14.826 1.00 0.00 O ATOM 1064 CB SER A 71 23.394 -1.275 15.663 1.00 0.00 C ATOM 1065 OG SER A 71 24.224 -1.524 16.789 1.00 0.00 O ATOM 0 H SER A 71 20.964 -0.400 16.939 1.00 0.00 H new ATOM 0 HA SER A 71 23.350 0.864 15.785 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.686 -2.095 15.546 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.005 -1.250 14.761 1.00 0.00 H new ATOM 0 HG SER A 71 24.695 -2.375 16.667 1.00 0.00 H new ATOM 1071 N ILE A 72 22.117 0.581 13.457 1.00 0.00 N ATOM 1072 CA ILE A 72 21.321 0.694 12.237 1.00 0.00 C ATOM 1073 C ILE A 72 22.164 0.190 11.044 1.00 0.00 C ATOM 1074 O ILE A 72 23.395 0.236 11.135 1.00 0.00 O ATOM 1075 CB ILE A 72 20.810 2.141 12.028 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.945 3.190 11.941 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.788 2.527 13.114 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.453 4.573 11.498 1.00 0.00 C ATOM 0 H ILE A 72 23.100 0.815 13.316 1.00 0.00 H new ATOM 0 HA ILE A 72 20.430 0.072 12.321 1.00 0.00 H new ATOM 0 HB ILE A 72 20.315 2.149 11.057 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.427 3.277 12.915 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.703 2.839 11.241 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.445 3.548 12.944 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.938 1.846 13.072 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.257 2.460 14.095 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.296 5.263 11.457 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.997 4.498 10.511 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.716 4.943 12.211 1.00 0.00 H new ATOM 1090 N PRO A 73 21.557 -0.275 9.932 1.00 0.00 N ATOM 1091 CA PRO A 73 20.125 -0.477 9.745 1.00 0.00 C ATOM 1092 C PRO A 73 19.629 -1.609 10.646 1.00 0.00 C ATOM 1093 O PRO A 73 20.291 -2.642 10.776 1.00 0.00 O ATOM 1094 CB PRO A 73 19.941 -0.830 8.264 1.00 0.00 C ATOM 1095 CG PRO A 73 21.279 -1.450 7.866 1.00 0.00 C ATOM 1096 CD PRO A 73 22.286 -0.720 8.753 1.00 0.00 C ATOM 0 HA PRO A 73 19.551 0.411 10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.118 -1.529 8.119 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.717 0.054 7.667 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.292 -2.525 8.044 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.493 -1.299 6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 73 23.107 -1.381 9.032 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.724 0.127 8.226 1.00 0.00 H new ATOM 1104 N THR A 74 18.451 -1.421 11.233 1.00 0.00 N ATOM 1105 CA THR A 74 17.786 -2.443 12.030 1.00 0.00 C ATOM 1106 C THR A 74 16.336 -2.505 11.569 1.00 0.00 C ATOM 1107 O THR A 74 15.727 -1.480 11.258 1.00 0.00 O ATOM 1108 CB THR A 74 17.962 -2.137 13.527 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.327 -2.257 13.865 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.177 -3.099 14.423 1.00 0.00 C ATOM 0 H THR A 74 17.928 -0.548 11.168 1.00 0.00 H new ATOM 0 HA THR A 74 18.224 -3.431 11.888 1.00 0.00 H new ATOM 0 HB THR A 74 17.586 -1.127 13.692 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.599 -1.486 14.406 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.338 -2.836 15.468 1.00 0.00 H new ATOM 0 HG22 THR A 74 16.114 -3.028 14.191 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.519 -4.119 14.249 1.00 0.00 H new ATOM 1118 N LEU A 75 15.789 -3.714 11.491 1.00 0.00 N ATOM 1119 CA LEU A 75 14.508 -3.996 10.874 1.00 0.00 C ATOM 1120 C LEU A 75 13.644 -4.681 11.916 1.00 0.00 C ATOM 1121 O LEU A 75 14.078 -5.663 12.524 1.00 0.00 O ATOM 1122 CB LEU A 75 14.688 -4.903 9.644 1.00 0.00 C ATOM 1123 CG LEU A 75 15.576 -4.332 8.520 1.00 0.00 C ATOM 1124 CD1 LEU A 75 15.669 -5.351 7.384 1.00 0.00 C ATOM 1125 CD2 LEU A 75 15.064 -2.996 7.974 1.00 0.00 C ATOM 0 H LEU A 75 16.243 -4.546 11.868 1.00 0.00 H new ATOM 0 HA LEU A 75 14.038 -3.074 10.533 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.114 -5.851 9.973 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.704 -5.122 9.229 1.00 0.00 H new ATOM 0 HG LEU A 75 16.560 -4.142 8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.296 -4.951 6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.106 -6.276 7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.671 -5.553 6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.731 -2.645 7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.061 -3.129 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.035 -2.261 8.779 1.00 0.00 H new ATOM 1137 N LEU A 76 12.427 -4.185 12.115 1.00 0.00 N ATOM 1138 CA LEU A 76 11.460 -4.764 13.042 1.00 0.00 C ATOM 1139 C LEU A 76 10.279 -5.096 12.156 1.00 0.00 C ATOM 1140 O LEU A 76 9.768 -4.213 11.473 1.00 0.00 O ATOM 1141 CB LEU A 76 11.046 -3.759 14.143 1.00 0.00 C ATOM 1142 CG LEU A 76 11.965 -3.602 15.373 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.928 -4.855 16.250 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.414 -3.274 15.011 1.00 0.00 C ATOM 0 H LEU A 76 12.080 -3.358 11.630 1.00 0.00 H new ATOM 0 HA LEU A 76 11.862 -5.627 13.573 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.944 -2.779 13.677 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.057 -4.047 14.501 1.00 0.00 H new ATOM 0 HG LEU A 76 11.570 -2.751 15.928 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.584 -4.717 17.109 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.909 -5.027 16.596 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.265 -5.715 15.671 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.004 -3.177 15.923 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.825 -4.074 14.396 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.447 -2.336 14.456 1.00 0.00 H new ATOM 1156 N VAL A 77 9.855 -6.350 12.130 1.00 0.00 N ATOM 1157 CA VAL A 77 8.686 -6.754 11.379 1.00 0.00 C ATOM 1158 C VAL A 77 7.591 -6.845 12.429 1.00 0.00 C ATOM 1159 O VAL A 77 7.732 -7.582 13.411 1.00 0.00 O ATOM 1160 CB VAL A 77 8.919 -8.075 10.619 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.980 -8.119 9.405 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.364 -8.283 10.124 1.00 0.00 C ATOM 0 H VAL A 77 10.314 -7.112 12.629 1.00 0.00 H new ATOM 0 HA VAL A 77 8.423 -6.051 10.589 1.00 0.00 H new ATOM 0 HB VAL A 77 8.718 -8.874 11.332 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.135 -9.049 8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.945 -8.065 9.743 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.192 -7.274 8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.436 -9.237 9.601 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.636 -7.475 9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.044 -8.284 10.976 1.00 0.00 H new ATOM 1172 N LEU A 78 6.533 -6.056 12.257 1.00 0.00 N ATOM 1173 CA LEU A 78 5.405 -5.992 13.165 1.00 0.00 C ATOM 1174 C LEU A 78 4.201 -6.572 12.440 1.00 0.00 C ATOM 1175 O LEU A 78 4.135 -6.558 11.210 1.00 0.00 O ATOM 1176 CB LEU A 78 5.123 -4.551 13.647 1.00 0.00 C ATOM 1177 CG LEU A 78 6.234 -3.952 14.538 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.273 -3.171 13.724 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.660 -3.025 15.615 1.00 0.00 C ATOM 0 H LEU A 78 6.440 -5.429 11.458 1.00 0.00 H new ATOM 0 HA LEU A 78 5.628 -6.567 14.064 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.985 -3.909 12.777 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.184 -4.542 14.201 1.00 0.00 H new ATOM 0 HG LEU A 78 6.722 -4.804 15.012 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.033 -2.769 14.394 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.743 -3.836 13.000 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.783 -2.351 13.199 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.473 -2.624 16.221 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.122 -2.204 15.140 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.976 -3.586 16.252 1.00 0.00 H new ATOM 1191 N LYS A 79 3.242 -7.069 13.208 1.00 0.00 N ATOM 1192 CA LYS A 79 1.990 -7.619 12.721 1.00 0.00 C ATOM 1193 C LYS A 79 0.908 -7.032 13.609 1.00 0.00 C ATOM 1194 O LYS A 79 0.898 -7.290 14.811 1.00 0.00 O ATOM 1195 CB LYS A 79 2.052 -9.153 12.785 1.00 0.00 C ATOM 1196 CG LYS A 79 0.795 -9.832 12.231 1.00 0.00 C ATOM 1197 CD LYS A 79 0.838 -11.350 12.464 1.00 0.00 C ATOM 1198 CE LYS A 79 -0.474 -12.049 12.069 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.695 -12.100 10.603 1.00 0.00 N ATOM 0 H LYS A 79 3.320 -7.100 14.225 1.00 0.00 H new ATOM 0 HA LYS A 79 1.785 -7.367 11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.921 -9.499 12.225 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.197 -9.461 13.820 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.090 -9.412 12.710 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.707 -9.627 11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.660 -11.778 11.890 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.047 -11.546 13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.469 -13.065 12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.310 -11.529 12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.560 -12.641 10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.798 -11.133 10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.117 -12.561 10.145 1.00 0.00 H new ATOM 1213 N ASP A 80 0.024 -6.230 13.016 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.130 -5.620 13.679 1.00 0.00 C ATOM 1215 C ASP A 80 -0.746 -4.917 14.997 1.00 0.00 C ATOM 1216 O ASP A 80 -1.449 -4.999 16.006 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.263 -6.651 13.821 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.572 -6.027 14.336 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -3.975 -4.951 13.838 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.242 -6.641 15.198 1.00 0.00 O ATOM 0 H ASP A 80 0.093 -5.979 12.030 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.513 -4.816 13.050 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.445 -7.121 12.854 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.948 -7.440 14.504 1.00 0.00 H new ATOM 1225 N GLY A 81 0.412 -4.248 14.994 1.00 0.00 N ATOM 1226 CA GLY A 81 0.831 -3.340 16.055 1.00 0.00 C ATOM 1227 C GLY A 81 1.908 -3.885 16.994 1.00 0.00 C ATOM 1228 O GLY A 81 2.387 -3.122 17.833 1.00 0.00 O ATOM 0 H GLY A 81 1.093 -4.327 14.239 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.200 -2.421 15.600 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.043 -3.073 16.648 1.00 0.00 H new ATOM 1232 N GLU A 82 2.317 -5.155 16.880 1.00 0.00 N ATOM 1233 CA GLU A 82 3.305 -5.760 17.771 1.00 0.00 C ATOM 1234 C GLU A 82 4.384 -6.484 16.963 1.00 0.00 C ATOM 1235 O GLU A 82 4.111 -6.967 15.865 1.00 0.00 O ATOM 1236 CB GLU A 82 2.584 -6.677 18.770 1.00 0.00 C ATOM 1237 CG GLU A 82 2.050 -7.998 18.194 1.00 0.00 C ATOM 1238 CD GLU A 82 1.325 -8.824 19.273 1.00 0.00 C ATOM 1239 OE1 GLU A 82 1.976 -9.646 19.958 1.00 0.00 O ATOM 1240 OE2 GLU A 82 0.093 -8.674 19.443 1.00 0.00 O ATOM 0 H GLU A 82 1.968 -5.791 16.163 1.00 0.00 H new ATOM 0 HA GLU A 82 3.822 -4.989 18.343 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.271 -6.908 19.584 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.749 -6.127 19.203 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.366 -7.789 17.372 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.876 -8.578 17.782 1.00 0.00 H new ATOM 1247 N VAL A 83 5.612 -6.539 17.479 1.00 0.00 N ATOM 1248 CA VAL A 83 6.738 -7.184 16.811 1.00 0.00 C ATOM 1249 C VAL A 83 6.443 -8.677 16.674 1.00 0.00 C ATOM 1250 O VAL A 83 6.035 -9.339 17.633 1.00 0.00 O ATOM 1251 CB VAL A 83 8.054 -6.917 17.573 1.00 0.00 C ATOM 1252 CG1 VAL A 83 9.266 -7.480 16.816 1.00 0.00 C ATOM 1253 CG2 VAL A 83 8.291 -5.413 17.786 1.00 0.00 C ATOM 0 H VAL A 83 5.853 -6.132 18.383 1.00 0.00 H new ATOM 0 HA VAL A 83 6.868 -6.765 15.813 1.00 0.00 H new ATOM 0 HB VAL A 83 7.951 -7.416 18.537 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.175 -7.274 17.381 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.151 -8.557 16.694 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.333 -7.009 15.835 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.226 -5.265 18.326 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.347 -4.913 16.819 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.468 -4.993 18.365 1.00 0.00 H new ATOM 1263 N VAL A 84 6.708 -9.196 15.480 1.00 0.00 N ATOM 1264 CA VAL A 84 6.658 -10.608 15.156 1.00 0.00 C ATOM 1265 C VAL A 84 8.042 -11.106 14.699 1.00 0.00 C ATOM 1266 O VAL A 84 8.346 -12.273 14.950 1.00 0.00 O ATOM 1267 CB VAL A 84 5.492 -10.854 14.171 1.00 0.00 C ATOM 1268 CG1 VAL A 84 5.635 -10.075 12.857 1.00 0.00 C ATOM 1269 CG2 VAL A 84 5.262 -12.338 13.869 1.00 0.00 C ATOM 0 H VAL A 84 6.974 -8.617 14.683 1.00 0.00 H new ATOM 0 HA VAL A 84 6.437 -11.215 16.034 1.00 0.00 H new ATOM 0 HB VAL A 84 4.615 -10.474 14.695 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.784 -10.292 12.211 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.666 -9.006 13.069 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.556 -10.372 12.356 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.431 -12.443 13.172 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.163 -12.763 13.426 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.029 -12.866 14.794 1.00 0.00 H new ATOM 1279 N GLU A 85 8.927 -10.259 14.140 1.00 0.00 N ATOM 1280 CA GLU A 85 10.306 -10.658 13.810 1.00 0.00 C ATOM 1281 C GLU A 85 11.244 -9.446 13.914 1.00 0.00 C ATOM 1282 O GLU A 85 10.783 -8.305 13.934 1.00 0.00 O ATOM 1283 CB GLU A 85 10.401 -11.277 12.392 1.00 0.00 C ATOM 1284 CG GLU A 85 9.780 -12.671 12.193 1.00 0.00 C ATOM 1285 CD GLU A 85 10.425 -13.799 13.027 1.00 0.00 C ATOM 1286 OE1 GLU A 85 11.511 -13.610 13.625 1.00 0.00 O ATOM 1287 OE2 GLU A 85 9.865 -14.920 13.043 1.00 0.00 O ATOM 0 H GLU A 85 8.709 -9.290 13.907 1.00 0.00 H new ATOM 0 HA GLU A 85 10.611 -11.419 14.528 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.925 -10.591 11.691 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.454 -11.333 12.117 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.720 -12.618 12.440 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.849 -12.935 11.138 1.00 0.00 H new ATOM 1294 N THR A 86 12.559 -9.681 13.944 1.00 0.00 N ATOM 1295 CA THR A 86 13.603 -8.657 14.001 1.00 0.00 C ATOM 1296 C THR A 86 14.761 -9.108 13.098 1.00 0.00 C ATOM 1297 O THR A 86 14.967 -10.311 12.910 1.00 0.00 O ATOM 1298 CB THR A 86 14.078 -8.485 15.461 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.989 -8.343 16.356 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.997 -7.273 15.660 1.00 0.00 C ATOM 0 H THR A 86 12.939 -10.627 13.929 1.00 0.00 H new ATOM 0 HA THR A 86 13.224 -7.696 13.654 1.00 0.00 H new ATOM 0 HB THR A 86 14.636 -9.396 15.676 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.328 -8.238 17.270 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.294 -7.210 16.707 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.884 -7.383 15.037 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.466 -6.364 15.378 1.00 0.00 H new ATOM 1308 N SER A 87 15.521 -8.171 12.525 1.00 0.00 N ATOM 1309 CA SER A 87 16.775 -8.415 11.815 1.00 0.00 C ATOM 1310 C SER A 87 17.674 -7.177 11.935 1.00 0.00 C ATOM 1311 O SER A 87 17.182 -6.075 12.184 1.00 0.00 O ATOM 1312 CB SER A 87 16.466 -8.754 10.352 1.00 0.00 C ATOM 1313 OG SER A 87 15.901 -10.053 10.272 1.00 0.00 O ATOM 0 H SER A 87 15.268 -7.183 12.545 1.00 0.00 H new ATOM 0 HA SER A 87 17.307 -9.260 12.253 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.775 -8.020 9.936 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.378 -8.706 9.757 1.00 0.00 H new ATOM 0 HG SER A 87 15.623 -10.344 11.165 1.00 0.00 H new ATOM 1319 N VAL A 88 18.990 -7.341 11.780 1.00 0.00 N ATOM 1320 CA VAL A 88 19.979 -6.273 11.939 1.00 0.00 C ATOM 1321 C VAL A 88 20.974 -6.373 10.776 1.00 0.00 C ATOM 1322 O VAL A 88 21.302 -7.479 10.333 1.00 0.00 O ATOM 1323 CB VAL A 88 20.675 -6.394 13.318 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.614 -5.209 13.597 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.677 -6.489 14.488 1.00 0.00 C ATOM 0 H VAL A 88 19.406 -8.239 11.535 1.00 0.00 H new ATOM 0 HA VAL A 88 19.504 -5.292 11.913 1.00 0.00 H new ATOM 0 HB VAL A 88 21.247 -7.320 13.258 1.00 0.00 H new ATOM 0 HG11 VAL A 88 22.080 -5.336 14.574 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.387 -5.168 12.829 1.00 0.00 H new ATOM 0 HG13 VAL A 88 21.042 -4.281 13.586 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.224 -6.572 15.427 1.00 0.00 H new ATOM 0 HG22 VAL A 88 19.054 -5.595 14.508 1.00 0.00 H new ATOM 0 HG23 VAL A 88 19.046 -7.368 14.357 1.00 0.00 H new ATOM 1335 N GLY A 89 21.476 -5.229 10.301 1.00 0.00 N ATOM 1336 CA GLY A 89 22.449 -5.156 9.220 1.00 0.00 C ATOM 1337 C GLY A 89 21.805 -5.406 7.855 1.00 0.00 C ATOM 1338 O GLY A 89 20.584 -5.553 7.740 1.00 0.00 O ATOM 0 H GLY A 89 21.209 -4.315 10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.923 -4.174 9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.236 -5.890 9.390 1.00 0.00 H new ATOM 1342 N PHE A 90 22.633 -5.426 6.805 1.00 0.00 N ATOM 1343 CA PHE A 90 22.186 -5.780 5.461 1.00 0.00 C ATOM 1344 C PHE A 90 21.671 -7.217 5.462 1.00 0.00 C ATOM 1345 O PHE A 90 22.283 -8.105 6.064 1.00 0.00 O ATOM 1346 CB PHE A 90 23.326 -5.583 4.450 1.00 0.00 C ATOM 1347 CG PHE A 90 22.908 -5.807 3.007 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.903 -7.105 2.460 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.505 -4.716 2.212 1.00 0.00 C ATOM 1350 CE1 PHE A 90 22.479 -7.314 1.135 1.00 0.00 C ATOM 1351 CE2 PHE A 90 22.088 -4.925 0.885 1.00 0.00 C ATOM 1352 CZ PHE A 90 22.072 -6.224 0.347 1.00 0.00 C ATOM 0 H PHE A 90 23.625 -5.198 6.866 1.00 0.00 H new ATOM 0 HA PHE A 90 21.369 -5.124 5.159 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.720 -4.572 4.552 1.00 0.00 H new ATOM 0 HB3 PHE A 90 24.138 -6.267 4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 90 23.226 -7.943 3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.516 -3.717 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 90 22.466 -8.312 0.723 1.00 0.00 H new ATOM 0 HE2 PHE A 90 21.780 -4.086 0.278 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.747 -6.384 -0.671 1.00 0.00 H new ATOM 1362 N LYS A 91 20.547 -7.446 4.777 1.00 0.00 N ATOM 1363 CA LYS A 91 19.894 -8.743 4.690 1.00 0.00 C ATOM 1364 C LYS A 91 19.180 -8.815 3.336 1.00 0.00 C ATOM 1365 O LYS A 91 18.604 -7.800 2.932 1.00 0.00 O ATOM 1366 CB LYS A 91 18.930 -8.865 5.884 1.00 0.00 C ATOM 1367 CG LYS A 91 18.586 -10.331 6.149 1.00 0.00 C ATOM 1368 CD LYS A 91 17.973 -10.519 7.539 1.00 0.00 C ATOM 1369 CE LYS A 91 17.684 -12.001 7.806 1.00 0.00 C ATOM 1370 NZ LYS A 91 17.380 -12.255 9.236 1.00 0.00 N ATOM 0 H LYS A 91 20.060 -6.715 4.258 1.00 0.00 H new ATOM 0 HA LYS A 91 20.594 -9.576 4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 91 19.385 -8.426 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 91 18.018 -8.303 5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.887 -10.685 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.486 -10.939 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.654 -10.133 8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.051 -9.943 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.842 -12.323 7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.545 -12.599 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.828 -13.132 9.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.268 -12.351 9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.831 -11.460 9.621 1.00 0.00 H new ATOM 1384 N PRO A 92 19.237 -9.945 2.608 1.00 0.00 N ATOM 1385 CA PRO A 92 18.711 -10.007 1.254 1.00 0.00 C ATOM 1386 C PRO A 92 17.182 -9.951 1.231 1.00 0.00 C ATOM 1387 O PRO A 92 16.496 -10.399 2.152 1.00 0.00 O ATOM 1388 CB PRO A 92 19.243 -11.309 0.646 1.00 0.00 C ATOM 1389 CG PRO A 92 19.514 -12.191 1.862 1.00 0.00 C ATOM 1390 CD PRO A 92 19.914 -11.190 2.944 1.00 0.00 C ATOM 0 HA PRO A 92 19.036 -9.144 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.515 -11.765 -0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.149 -11.139 0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.631 -12.762 2.149 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.309 -12.911 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.616 -11.542 3.931 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.995 -11.052 2.968 1.00 0.00 H new ATOM 1398 N LYS A 93 16.664 -9.461 0.104 1.00 0.00 N ATOM 1399 CA LYS A 93 15.239 -9.301 -0.184 1.00 0.00 C ATOM 1400 C LYS A 93 14.457 -10.582 0.046 1.00 0.00 C ATOM 1401 O LYS A 93 13.378 -10.557 0.634 1.00 0.00 O ATOM 1402 CB LYS A 93 15.138 -8.879 -1.654 1.00 0.00 C ATOM 1403 CG LYS A 93 13.710 -8.605 -2.128 1.00 0.00 C ATOM 1404 CD LYS A 93 13.758 -7.849 -3.458 1.00 0.00 C ATOM 1405 CE LYS A 93 14.452 -8.587 -4.618 1.00 0.00 C ATOM 1406 NZ LYS A 93 13.750 -9.824 -5.019 1.00 0.00 N ATOM 0 H LYS A 93 17.254 -9.151 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 93 14.807 -8.557 0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.738 -7.982 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.572 -9.662 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.168 -9.543 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.172 -8.019 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.737 -7.615 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.269 -6.900 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.519 -7.920 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.473 -8.834 -4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.315 -10.329 -5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.618 -10.433 -4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.822 -9.582 -5.422 1.00 0.00 H new ATOM 1420 N GLU A 94 14.997 -11.695 -0.441 1.00 0.00 N ATOM 1421 CA GLU A 94 14.323 -12.983 -0.370 1.00 0.00 C ATOM 1422 C GLU A 94 14.131 -13.384 1.091 1.00 0.00 C ATOM 1423 O GLU A 94 13.040 -13.809 1.466 1.00 0.00 O ATOM 1424 CB GLU A 94 15.120 -14.066 -1.122 1.00 0.00 C ATOM 1425 CG GLU A 94 15.470 -13.709 -2.574 1.00 0.00 C ATOM 1426 CD GLU A 94 14.238 -13.306 -3.398 1.00 0.00 C ATOM 1427 OE1 GLU A 94 13.536 -14.197 -3.930 1.00 0.00 O ATOM 1428 OE2 GLU A 94 13.990 -12.088 -3.529 1.00 0.00 O ATOM 0 H GLU A 94 15.910 -11.728 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 94 13.348 -12.891 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.043 -14.263 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.544 -14.991 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.189 -12.890 -2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.955 -14.563 -3.047 1.00 0.00 H new ATOM 1435 N ALA A 95 15.157 -13.196 1.930 1.00 0.00 N ATOM 1436 CA ALA A 95 15.079 -13.528 3.344 1.00 0.00 C ATOM 1437 C ALA A 95 14.034 -12.660 4.040 1.00 0.00 C ATOM 1438 O ALA A 95 13.235 -13.170 4.823 1.00 0.00 O ATOM 1439 CB ALA A 95 16.449 -13.382 4.013 1.00 0.00 C ATOM 0 H ALA A 95 16.057 -12.811 1.643 1.00 0.00 H new ATOM 0 HA ALA A 95 14.771 -14.570 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.367 -13.635 5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.161 -14.053 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 95 16.795 -12.353 3.912 1.00 0.00 H new ATOM 1445 N LEU A 96 14.007 -11.361 3.733 1.00 0.00 N ATOM 1446 CA LEU A 96 13.035 -10.449 4.324 1.00 0.00 C ATOM 1447 C LEU A 96 11.614 -10.849 3.946 1.00 0.00 C ATOM 1448 O LEU A 96 10.730 -10.875 4.802 1.00 0.00 O ATOM 1449 CB LEU A 96 13.308 -8.991 3.917 1.00 0.00 C ATOM 1450 CG LEU A 96 14.633 -8.409 4.443 1.00 0.00 C ATOM 1451 CD1 LEU A 96 14.755 -6.948 3.999 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.758 -8.496 5.970 1.00 0.00 C ATOM 0 H LEU A 96 14.651 -10.920 3.076 1.00 0.00 H new ATOM 0 HA LEU A 96 13.139 -10.520 5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.306 -8.926 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.487 -8.369 4.275 1.00 0.00 H new ATOM 0 HG LEU A 96 15.441 -9.008 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.692 -6.532 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.740 -6.896 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.920 -6.375 4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.712 -8.071 6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.944 -7.940 6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.707 -9.540 6.280 1.00 0.00 H new ATOM 1464 N GLN A 97 11.384 -11.186 2.679 1.00 0.00 N ATOM 1465 CA GLN A 97 10.046 -11.488 2.207 1.00 0.00 C ATOM 1466 C GLN A 97 9.590 -12.858 2.703 1.00 0.00 C ATOM 1467 O GLN A 97 8.402 -13.061 2.930 1.00 0.00 O ATOM 1468 CB GLN A 97 9.976 -11.291 0.687 1.00 0.00 C ATOM 1469 CG GLN A 97 10.098 -12.528 -0.205 1.00 0.00 C ATOM 1470 CD GLN A 97 10.092 -12.145 -1.692 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.314 -12.677 -2.482 1.00 0.00 O ATOM 1472 NE2 GLN A 97 10.942 -11.216 -2.102 1.00 0.00 N ATOM 0 H GLN A 97 12.110 -11.255 1.966 1.00 0.00 H new ATOM 0 HA GLN A 97 9.325 -10.789 2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.028 -10.806 0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.767 -10.596 0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.019 -13.061 0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.273 -13.210 0.001 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.583 -10.782 -1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.956 -10.935 -3.082 1.00 0.00 H new ATOM 1481 N GLU A 98 10.516 -13.789 2.921 1.00 0.00 N ATOM 1482 CA GLU A 98 10.256 -15.080 3.511 1.00 0.00 C ATOM 1483 C GLU A 98 9.917 -14.933 5.000 1.00 0.00 C ATOM 1484 O GLU A 98 9.019 -15.621 5.486 1.00 0.00 O ATOM 1485 CB GLU A 98 11.508 -15.925 3.251 1.00 0.00 C ATOM 1486 CG GLU A 98 11.592 -17.216 4.053 1.00 0.00 C ATOM 1487 CD GLU A 98 10.445 -18.220 3.812 1.00 0.00 C ATOM 1488 OE1 GLU A 98 9.804 -18.204 2.736 1.00 0.00 O ATOM 1489 OE2 GLU A 98 10.213 -19.083 4.689 1.00 0.00 O ATOM 0 H GLU A 98 11.498 -13.651 2.680 1.00 0.00 H new ATOM 0 HA GLU A 98 9.388 -15.571 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.548 -16.171 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.388 -15.321 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.537 -17.707 3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.615 -16.964 5.113 1.00 0.00 H new ATOM 1496 N LEU A 99 10.577 -14.014 5.713 1.00 0.00 N ATOM 1497 CA LEU A 99 10.221 -13.693 7.096 1.00 0.00 C ATOM 1498 C LEU A 99 8.791 -13.171 7.126 1.00 0.00 C ATOM 1499 O LEU A 99 7.972 -13.709 7.860 1.00 0.00 O ATOM 1500 CB LEU A 99 11.174 -12.664 7.732 1.00 0.00 C ATOM 1501 CG LEU A 99 12.541 -13.241 8.135 1.00 0.00 C ATOM 1502 CD1 LEU A 99 13.497 -12.096 8.488 1.00 0.00 C ATOM 1503 CD2 LEU A 99 12.445 -14.197 9.333 1.00 0.00 C ATOM 0 H LEU A 99 11.365 -13.477 5.351 1.00 0.00 H new ATOM 0 HA LEU A 99 10.310 -14.605 7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 99 11.330 -11.846 7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.696 -12.239 8.615 1.00 0.00 H new ATOM 0 HG LEU A 99 12.914 -13.810 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 99 14.466 -12.506 8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.619 -11.444 7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 99 13.087 -11.522 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 99 13.438 -14.576 9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.039 -13.664 10.193 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.790 -15.031 9.081 1.00 0.00 H new ATOM 1515 N VAL A 100 8.464 -12.197 6.274 1.00 0.00 N ATOM 1516 CA VAL A 100 7.095 -11.714 6.110 1.00 0.00 C ATOM 1517 C VAL A 100 6.150 -12.897 5.840 1.00 0.00 C ATOM 1518 O VAL A 100 5.100 -13.024 6.472 1.00 0.00 O ATOM 1519 CB VAL A 100 7.086 -10.630 5.006 1.00 0.00 C ATOM 1520 CG1 VAL A 100 5.690 -10.288 4.473 1.00 0.00 C ATOM 1521 CG2 VAL A 100 7.764 -9.339 5.493 1.00 0.00 C ATOM 0 H VAL A 100 9.143 -11.722 5.679 1.00 0.00 H new ATOM 0 HA VAL A 100 6.723 -11.246 7.021 1.00 0.00 H new ATOM 0 HB VAL A 100 7.647 -11.068 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.772 -9.521 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.234 -11.182 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.069 -9.918 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.743 -8.595 4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.232 -8.955 6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.798 -9.551 5.765 1.00 0.00 H new ATOM 1531 N ASN A 101 6.538 -13.797 4.936 1.00 0.00 N ATOM 1532 CA ASN A 101 5.687 -14.872 4.439 1.00 0.00 C ATOM 1533 C ASN A 101 5.277 -15.843 5.544 1.00 0.00 C ATOM 1534 O ASN A 101 4.129 -16.289 5.550 1.00 0.00 O ATOM 1535 CB ASN A 101 6.399 -15.638 3.314 1.00 0.00 C ATOM 1536 CG ASN A 101 5.506 -16.708 2.700 1.00 0.00 C ATOM 1537 OD1 ASN A 101 5.417 -17.831 3.188 1.00 0.00 O ATOM 1538 ND2 ASN A 101 4.844 -16.388 1.601 1.00 0.00 N ATOM 0 H ASN A 101 7.470 -13.797 4.523 1.00 0.00 H new ATOM 0 HA ASN A 101 4.779 -14.409 4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 101 6.711 -14.938 2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.303 -16.102 3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.248 -17.079 1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 101 4.929 -15.450 1.209 1.00 0.00 H new ATOM 1545 N LYS A 102 6.176 -16.164 6.485 1.00 0.00 N ATOM 1546 CA LYS A 102 5.862 -17.159 7.518 1.00 0.00 C ATOM 1547 C LYS A 102 4.770 -16.684 8.482 1.00 0.00 C ATOM 1548 O LYS A 102 4.181 -17.531 9.155 1.00 0.00 O ATOM 1549 CB LYS A 102 7.111 -17.658 8.277 1.00 0.00 C ATOM 1550 CG LYS A 102 7.930 -16.541 8.937 1.00 0.00 C ATOM 1551 CD LYS A 102 8.886 -16.993 10.048 1.00 0.00 C ATOM 1552 CE LYS A 102 8.125 -17.434 11.308 1.00 0.00 C ATOM 1553 NZ LYS A 102 9.012 -17.504 12.493 1.00 0.00 N ATOM 0 H LYS A 102 7.109 -15.758 6.552 1.00 0.00 H new ATOM 0 HA LYS A 102 5.462 -18.018 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.798 -18.366 9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.752 -18.202 7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.510 -16.035 8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.241 -15.805 9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.500 -17.818 9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.564 -16.177 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.312 -16.735 11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.672 -18.410 11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.532 -18.023 13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.892 -17.997 12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.235 -16.541 12.817 1.00 0.00 H new ATOM 1567 N HIS A 103 4.481 -15.378 8.562 1.00 0.00 N ATOM 1568 CA HIS A 103 3.544 -14.828 9.538 1.00 0.00 C ATOM 1569 C HIS A 103 2.435 -13.957 8.949 1.00 0.00 C ATOM 1570 O HIS A 103 1.519 -13.568 9.677 1.00 0.00 O ATOM 1571 CB HIS A 103 4.335 -14.099 10.610 1.00 0.00 C ATOM 1572 CG HIS A 103 5.178 -12.932 10.167 1.00 0.00 C ATOM 1573 ND1 HIS A 103 6.543 -12.858 10.240 1.00 0.00 N flip ATOM 1574 CD2 HIS A 103 4.725 -11.701 9.755 1.00 0.00 C flip ATOM 1575 CE1 HIS A 103 6.934 -11.566 9.878 1.00 0.00 C flip ATOM 1576 NE2 HIS A 103 5.800 -10.912 9.590 1.00 0.00 N flip ATOM 0 H HIS A 103 4.894 -14.676 7.948 1.00 0.00 H new ATOM 0 HA HIS A 103 3.000 -15.667 9.971 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.633 -13.742 11.364 1.00 0.00 H new ATOM 0 HB3 HIS A 103 4.988 -14.822 11.099 1.00 0.00 H new ATOM 0 HD1 HIS A 103 7.168 -13.617 10.512 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.695 -11.420 9.594 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.940 -11.176 9.839 1.00 0.00 H new ATOM 1584 N LEU A 104 2.508 -13.634 7.659 1.00 0.00 N ATOM 1585 CA LEU A 104 1.402 -13.040 6.904 1.00 0.00 C ATOM 1586 C LEU A 104 0.121 -13.825 7.180 1.00 0.00 C ATOM 1587 O LEU A 104 -0.879 -13.194 7.579 1.00 0.00 O ATOM 1588 CB LEU A 104 1.693 -13.022 5.387 1.00 0.00 C ATOM 1589 CG LEU A 104 2.322 -11.727 4.865 1.00 0.00 C ATOM 1590 CD1 LEU A 104 2.657 -11.892 3.377 1.00 0.00 C ATOM 1591 CD2 LEU A 104 1.390 -10.516 5.006 1.00 0.00 C ATOM 1592 OXT LEU A 104 0.113 -15.059 6.982 1.00 0.00 O ATOM 0 H LEU A 104 3.348 -13.779 7.099 1.00 0.00 H new ATOM 0 HA LEU A 104 1.283 -12.007 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.358 -13.853 5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.760 -13.197 4.851 1.00 0.00 H new ATOM 0 HG LEU A 104 3.214 -11.544 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.105 -10.972 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.360 -12.716 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.745 -12.105 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.888 -9.627 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.475 -10.693 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.144 -10.367 6.057 1.00 0.00 H new