USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 849 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 57 HIS : no HD1:sc= -2.05 K(o=-2.3,f=-11!) USER MOD Set 1.2: A 66 ASN : amide:sc= -0.227 K(o=-2.3,f=-6.9!) USER MOD Set 2.1: A 13 THR OG1 : rot 78:sc= 0.124 USER MOD Set 2.2: A 103 HIS : no HD1:sc= -2.14 K(o=-2,f=-0.98) USER MOD Single : A 4 THR OG1 : rot -10:sc= 0.538 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 33:sc= 1.27 USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0929) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.524 K(o=-0.52,f=-8.7!) USER MOD Single : A 16 HIS : no HD1:sc= -2.57 K(o=-2.6,f=-4.5!) USER MOD Single : A 31 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0907) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0.0241 (180deg=0.0234) USER MOD Single : A 56 TYR OH : rot 30:sc= -0.131 USER MOD Single : A 68 THR OG1 : rot -130:sc= -0.434 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 89 SER OG : rot 104:sc= -1.38! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.734 K(o=-0.73,f=-0.015) USER MOD Single : A 109 GLN : amide:sc= -0.0183 K(o=-0.018,f=-1.1) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HE2:sc=-0.00971 K(o=-0.0097,f=-0.86) USER MOD Single : A 119 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 10.153 21.333 2.764 1.00 0.00 N ATOM 47 CA THR A 4 9.869 20.253 3.706 1.00 0.00 C ATOM 48 C THR A 4 9.183 19.093 2.991 1.00 0.00 C ATOM 49 O THR A 4 8.271 19.303 2.189 1.00 0.00 O ATOM 50 CB THR A 4 8.991 20.751 4.863 1.00 0.00 C ATOM 51 OG1 THR A 4 8.188 21.850 4.462 1.00 0.00 O ATOM 52 CG2 THR A 4 9.786 21.182 6.080 1.00 0.00 C ATOM 0 HA THR A 4 10.816 19.906 4.118 1.00 0.00 H new ATOM 0 HB THR A 4 8.373 19.895 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.476 22.161 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.103 21.522 6.859 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.369 20.339 6.451 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.458 21.995 5.806 1.00 0.00 H new ATOM 60 N VAL A 5 9.629 17.873 3.280 1.00 0.00 N ATOM 61 CA VAL A 5 9.054 16.687 2.655 1.00 0.00 C ATOM 62 C VAL A 5 8.675 15.642 3.702 1.00 0.00 C ATOM 63 O VAL A 5 9.531 15.146 4.439 1.00 0.00 O ATOM 64 CB VAL A 5 10.026 16.057 1.634 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.339 14.942 0.857 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.574 17.114 0.687 1.00 0.00 C ATOM 0 H VAL A 5 10.383 17.681 3.940 1.00 0.00 H new ATOM 0 HA VAL A 5 8.155 17.011 2.130 1.00 0.00 H new ATOM 0 HB VAL A 5 10.864 15.626 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.040 14.511 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.004 14.169 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.480 15.347 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.256 16.647 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.750 17.580 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.108 17.873 1.259 1.00 0.00 H new ATOM 76 N LYS A 6 7.386 15.312 3.751 1.00 0.00 N ATOM 77 CA LYS A 6 6.877 14.323 4.696 1.00 0.00 C ATOM 78 C LYS A 6 6.032 13.276 3.973 1.00 0.00 C ATOM 79 O LYS A 6 4.902 13.550 3.569 1.00 0.00 O ATOM 80 CB LYS A 6 6.047 15.005 5.787 1.00 0.00 C ATOM 81 CG LYS A 6 6.859 15.410 7.009 1.00 0.00 C ATOM 82 CD LYS A 6 5.960 15.719 8.197 1.00 0.00 C ATOM 83 CE LYS A 6 5.539 17.181 8.216 1.00 0.00 C ATOM 84 NZ LYS A 6 4.260 17.391 8.953 1.00 0.00 N ATOM 0 H LYS A 6 6.673 15.717 3.144 1.00 0.00 H new ATOM 0 HA LYS A 6 7.727 13.825 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.570 15.891 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.249 14.331 6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.548 14.607 7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.464 16.285 6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.074 15.085 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.483 15.479 9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.325 17.777 8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.429 17.539 7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.013 18.401 8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.503 16.844 8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.371 17.075 9.938 1.00 0.00 H new ATOM 98 N ARG A 7 6.592 12.078 3.817 1.00 0.00 N ATOM 99 CA ARG A 7 5.897 10.985 3.143 1.00 0.00 C ATOM 100 C ARG A 7 5.799 9.755 4.050 1.00 0.00 C ATOM 101 O ARG A 7 6.634 9.554 4.933 1.00 0.00 O ATOM 102 CB ARG A 7 6.615 10.623 1.838 1.00 0.00 C ATOM 103 CG ARG A 7 6.532 11.707 0.772 1.00 0.00 C ATOM 104 CD ARG A 7 6.949 11.182 -0.594 1.00 0.00 C ATOM 105 NE ARG A 7 7.369 12.257 -1.494 1.00 0.00 N ATOM 106 CZ ARG A 7 8.604 12.769 -1.526 1.00 0.00 C ATOM 107 NH1 ARG A 7 9.545 12.324 -0.695 1.00 0.00 N ATOM 108 NH2 ARG A 7 8.896 13.738 -2.388 1.00 0.00 N ATOM 0 H ARG A 7 7.527 11.840 4.149 1.00 0.00 H new ATOM 0 HA ARG A 7 4.886 11.319 2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.663 10.419 2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.187 9.702 1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.513 12.090 0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.172 12.543 1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.766 10.471 -0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.117 10.639 -1.042 1.00 0.00 H new ATOM 0 HE ARG A 7 6.676 12.640 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.327 11.586 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.484 12.721 -0.728 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.179 14.089 -3.023 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.837 14.130 -2.415 1.00 0.00 H new ATOM 122 N THR A 8 4.770 8.942 3.829 1.00 0.00 N ATOM 123 CA THR A 8 4.552 7.733 4.624 1.00 0.00 C ATOM 124 C THR A 8 3.622 6.768 3.889 1.00 0.00 C ATOM 125 O THR A 8 2.689 7.197 3.209 1.00 0.00 O ATOM 126 CB THR A 8 3.962 8.097 5.994 1.00 0.00 C ATOM 127 OG1 THR A 8 3.709 6.934 6.762 1.00 0.00 O ATOM 128 CG2 THR A 8 2.666 8.877 5.905 1.00 0.00 C ATOM 0 H THR A 8 4.070 9.098 3.103 1.00 0.00 H new ATOM 0 HA THR A 8 5.513 7.241 4.774 1.00 0.00 H new ATOM 0 HB THR A 8 4.715 8.727 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.379 6.251 6.551 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.306 9.100 6.909 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.838 9.809 5.366 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.920 8.284 5.376 1.00 0.00 H new ATOM 136 N ILE A 9 3.879 5.467 4.028 1.00 0.00 N ATOM 137 CA ILE A 9 3.058 4.452 3.373 1.00 0.00 C ATOM 138 C ILE A 9 2.362 3.561 4.400 1.00 0.00 C ATOM 139 O ILE A 9 3.010 2.967 5.265 1.00 0.00 O ATOM 140 CB ILE A 9 3.891 3.579 2.407 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.982 2.612 1.639 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.971 2.816 3.160 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.672 3.065 0.229 1.00 0.00 C ATOM 0 H ILE A 9 4.647 5.094 4.586 1.00 0.00 H new ATOM 0 HA ILE A 9 2.303 4.982 2.793 1.00 0.00 H new ATOM 0 HB ILE A 9 4.381 4.237 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.458 1.632 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.048 2.492 2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.544 2.209 2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.637 3.522 3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.507 2.169 3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.025 2.333 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.168 4.031 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.600 3.158 -0.336 1.00 0.00 H new ATOM 155 N ARG A 10 1.038 3.474 4.297 1.00 0.00 N ATOM 156 CA ARG A 10 0.248 2.659 5.210 1.00 0.00 C ATOM 157 C ARG A 10 -0.736 1.787 4.435 1.00 0.00 C ATOM 158 O ARG A 10 -1.710 2.288 3.869 1.00 0.00 O ATOM 159 CB ARG A 10 -0.500 3.551 6.204 1.00 0.00 C ATOM 160 CG ARG A 10 0.269 3.803 7.493 1.00 0.00 C ATOM 161 CD ARG A 10 -0.655 4.240 8.617 1.00 0.00 C ATOM 162 NE ARG A 10 0.060 4.406 9.883 1.00 0.00 N ATOM 163 CZ ARG A 10 0.794 5.478 10.194 1.00 0.00 C ATOM 164 NH1 ARG A 10 0.917 6.487 9.334 1.00 0.00 N ATOM 165 NH2 ARG A 10 1.407 5.542 11.371 1.00 0.00 N ATOM 0 H ARG A 10 0.490 3.960 3.587 1.00 0.00 H new ATOM 0 HA ARG A 10 0.923 2.007 5.764 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.719 4.507 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.457 3.089 6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.796 2.895 7.786 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.025 4.570 7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.135 5.180 8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.447 3.502 8.742 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.006 3.656 10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.449 6.446 8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.480 7.301 9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.317 4.773 12.035 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.968 6.360 11.610 1.00 0.00 H new ATOM 179 N ILE A 11 -0.472 0.482 4.405 1.00 0.00 N ATOM 180 CA ILE A 11 -1.332 -0.461 3.693 1.00 0.00 C ATOM 181 C ILE A 11 -1.945 -1.479 4.654 1.00 0.00 C ATOM 182 O ILE A 11 -1.246 -2.059 5.485 1.00 0.00 O ATOM 183 CB ILE A 11 -0.563 -1.203 2.577 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.695 -1.879 3.138 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.199 -0.239 1.453 1.00 0.00 C ATOM 186 CD1 ILE A 11 0.861 -3.318 2.699 1.00 0.00 C ATOM 0 H ILE A 11 0.331 0.054 4.866 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.130 0.123 3.234 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.211 -1.980 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.571 -1.310 2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.661 -1.842 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.342 -0.776 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.109 0.190 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.430 0.559 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.772 -3.729 3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.003 -3.902 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.928 -3.361 1.612 1.00 0.00 H new ATOM 198 N LYS A 12 -3.258 -1.682 4.536 1.00 0.00 N ATOM 199 CA LYS A 12 -3.974 -2.620 5.397 1.00 0.00 C ATOM 200 C LYS A 12 -4.603 -3.747 4.585 1.00 0.00 C ATOM 201 O LYS A 12 -5.146 -3.515 3.504 1.00 0.00 O ATOM 202 CB LYS A 12 -5.055 -1.886 6.193 1.00 0.00 C ATOM 203 CG LYS A 12 -4.523 -1.160 7.417 1.00 0.00 C ATOM 204 CD LYS A 12 -3.961 0.207 7.057 1.00 0.00 C ATOM 205 CE LYS A 12 -3.895 1.118 8.272 1.00 0.00 C ATOM 206 NZ LYS A 12 -5.244 1.607 8.683 1.00 0.00 N ATOM 0 H LYS A 12 -3.847 -1.208 3.851 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.253 -3.059 6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.549 -1.166 5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.813 -2.604 6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.323 -1.044 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.745 -1.761 7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.964 0.092 6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.583 0.667 6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.436 0.581 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.253 1.971 8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.138 2.375 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.754 1.961 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.781 0.826 9.111 1.00 0.00 H new ATOM 220 N THR A 13 -4.524 -4.968 5.113 1.00 0.00 N ATOM 221 CA THR A 13 -5.085 -6.136 4.436 1.00 0.00 C ATOM 222 C THR A 13 -5.821 -7.042 5.423 1.00 0.00 C ATOM 223 O THR A 13 -5.196 -7.794 6.177 1.00 0.00 O ATOM 224 CB THR A 13 -3.980 -6.928 3.729 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.938 -6.070 3.287 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.477 -7.706 2.529 1.00 0.00 C ATOM 0 H THR A 13 -4.077 -5.174 6.007 1.00 0.00 H new ATOM 0 HA THR A 13 -5.800 -5.780 3.694 1.00 0.00 H new ATOM 0 HB THR A 13 -3.613 -7.633 4.475 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.365 -5.834 4.046 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.645 -8.244 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.239 -8.417 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.905 -7.017 1.801 1.00 0.00 H new ATOM 234 N GLN A 14 -7.152 -6.971 5.408 1.00 0.00 N ATOM 235 CA GLN A 14 -7.977 -7.792 6.293 1.00 0.00 C ATOM 236 C GLN A 14 -8.790 -8.795 5.477 1.00 0.00 C ATOM 237 O GLN A 14 -9.596 -8.405 4.630 1.00 0.00 O ATOM 238 CB GLN A 14 -8.907 -6.909 7.134 1.00 0.00 C ATOM 239 CG GLN A 14 -8.972 -7.315 8.601 1.00 0.00 C ATOM 240 CD GLN A 14 -9.251 -6.142 9.524 1.00 0.00 C ATOM 241 OE1 GLN A 14 -8.525 -5.911 10.489 1.00 0.00 O ATOM 242 NE2 GLN A 14 -10.314 -5.396 9.235 1.00 0.00 N ATOM 0 H GLN A 14 -7.682 -6.353 4.793 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.321 -8.341 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.571 -5.874 7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.911 -6.946 6.711 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.750 -8.067 8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.029 -7.780 8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.891 -5.622 8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.552 -4.598 9.824 1.00 0.00 H new ATOM 251 N GLN A 15 -8.563 -10.085 5.721 1.00 0.00 N ATOM 252 CA GLN A 15 -9.270 -11.138 4.987 1.00 0.00 C ATOM 253 C GLN A 15 -10.082 -12.036 5.919 1.00 0.00 C ATOM 254 O GLN A 15 -9.683 -12.292 7.055 1.00 0.00 O ATOM 255 CB GLN A 15 -8.271 -11.984 4.195 1.00 0.00 C ATOM 256 CG GLN A 15 -8.919 -13.028 3.295 1.00 0.00 C ATOM 257 CD GLN A 15 -8.051 -14.258 3.104 1.00 0.00 C ATOM 258 OE1 GLN A 15 -6.837 -14.215 3.303 1.00 0.00 O ATOM 259 NE2 GLN A 15 -8.669 -15.366 2.715 1.00 0.00 N ATOM 0 H GLN A 15 -7.900 -10.427 6.416 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.966 -10.652 4.303 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.656 -11.324 3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.602 -12.486 4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.876 -13.327 3.723 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.130 -12.583 2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.677 -15.360 2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.136 -16.223 2.570 1.00 0.00 H new ATOM 268 N HIS A 16 -11.222 -12.516 5.425 1.00 0.00 N ATOM 269 CA HIS A 16 -12.089 -13.393 6.210 1.00 0.00 C ATOM 270 C HIS A 16 -12.792 -14.408 5.311 1.00 0.00 C ATOM 271 O HIS A 16 -13.536 -14.033 4.403 1.00 0.00 O ATOM 272 CB HIS A 16 -13.126 -12.579 7.001 1.00 0.00 C ATOM 273 CG HIS A 16 -13.470 -11.247 6.397 1.00 0.00 C ATOM 274 ND1 HIS A 16 -12.598 -10.177 6.379 1.00 0.00 N ATOM 275 CD2 HIS A 16 -14.603 -10.815 5.795 1.00 0.00 C ATOM 276 CE1 HIS A 16 -13.182 -9.147 5.793 1.00 0.00 C ATOM 277 NE2 HIS A 16 -14.398 -9.507 5.430 1.00 0.00 N ATOM 0 H HIS A 16 -11.566 -12.313 4.487 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.461 -13.932 6.919 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.038 -13.168 7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.749 -12.418 8.011 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.501 -11.392 5.632 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.739 -8.175 5.637 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.076 -8.911 4.955 1.00 0.00 H new ATOM 286 N ILE A 17 -12.550 -15.697 5.567 1.00 0.00 N ATOM 287 CA ILE A 17 -13.163 -16.761 4.775 1.00 0.00 C ATOM 288 C ILE A 17 -14.377 -17.353 5.491 1.00 0.00 C ATOM 289 O ILE A 17 -14.292 -17.742 6.656 1.00 0.00 O ATOM 290 CB ILE A 17 -12.160 -17.897 4.470 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.840 -17.329 3.936 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.758 -18.879 3.471 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.802 -18.389 3.630 1.00 0.00 C ATOM 0 H ILE A 17 -11.937 -16.025 6.313 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.480 -16.306 3.836 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.952 -18.428 5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.041 -16.757 3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.431 -16.633 4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.040 -19.673 3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.668 -19.311 3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.995 -18.356 2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.895 -17.913 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.572 -18.946 4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.191 -19.072 2.875 1.00 0.00 H new ATOM 476 N VAL A 29 -16.447 -19.008 -0.032 1.00 0.00 N ATOM 477 CA VAL A 29 -16.054 -17.688 -0.530 1.00 0.00 C ATOM 478 C VAL A 29 -15.320 -16.878 0.536 1.00 0.00 C ATOM 479 O VAL A 29 -15.712 -16.870 1.705 1.00 0.00 O ATOM 480 CB VAL A 29 -17.273 -16.878 -1.028 1.00 0.00 C ATOM 481 CG1 VAL A 29 -17.809 -17.466 -2.324 1.00 0.00 C ATOM 482 CG2 VAL A 29 -18.367 -16.821 0.034 1.00 0.00 C ATOM 0 HA VAL A 29 -15.380 -17.867 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 29 -16.944 -15.857 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.667 -16.884 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.030 -17.438 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.115 -18.499 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.212 -16.245 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.695 -17.833 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -17.977 -16.345 0.933 1.00 0.00 H new ATOM 492 N ARG A 30 -14.257 -16.189 0.121 1.00 0.00 N ATOM 493 CA ARG A 30 -13.469 -15.366 1.042 1.00 0.00 C ATOM 494 C ARG A 30 -13.776 -13.881 0.849 1.00 0.00 C ATOM 495 O ARG A 30 -14.292 -13.474 -0.193 1.00 0.00 O ATOM 496 CB ARG A 30 -11.964 -15.619 0.861 1.00 0.00 C ATOM 497 CG ARG A 30 -11.464 -15.424 -0.565 1.00 0.00 C ATOM 498 CD ARG A 30 -11.005 -13.995 -0.811 1.00 0.00 C ATOM 499 NE ARG A 30 -11.045 -13.643 -2.232 1.00 0.00 N ATOM 500 CZ ARG A 30 -11.904 -12.777 -2.778 1.00 0.00 C ATOM 501 NH1 ARG A 30 -12.810 -12.155 -2.034 1.00 0.00 N ATOM 502 NH2 ARG A 30 -11.860 -12.534 -4.083 1.00 0.00 N ATOM 0 H ARG A 30 -13.922 -16.183 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.749 -15.651 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.413 -14.950 1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.738 -16.637 1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.639 -16.109 -0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.259 -15.677 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.639 -13.309 -0.250 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.989 -13.871 -0.435 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.368 -14.091 -2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.857 -12.335 -1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.459 -11.497 -2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.171 -13.008 -4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.515 -11.873 -4.501 1.00 0.00 H new ATOM 516 N GLN A 31 -13.451 -13.079 1.860 1.00 0.00 N ATOM 517 CA GLN A 31 -13.687 -11.639 1.806 1.00 0.00 C ATOM 518 C GLN A 31 -12.477 -10.876 2.328 1.00 0.00 C ATOM 519 O GLN A 31 -12.142 -10.956 3.508 1.00 0.00 O ATOM 520 CB GLN A 31 -14.928 -11.275 2.620 1.00 0.00 C ATOM 521 CG GLN A 31 -16.089 -10.790 1.770 1.00 0.00 C ATOM 522 CD GLN A 31 -17.391 -10.726 2.546 1.00 0.00 C ATOM 523 OE1 GLN A 31 -17.891 -9.645 2.852 1.00 0.00 O ATOM 524 NE2 GLN A 31 -17.945 -11.889 2.869 1.00 0.00 N ATOM 0 H GLN A 31 -13.023 -13.403 2.727 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.851 -11.358 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.246 -12.147 3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.666 -10.499 3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.857 -9.801 1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.212 -11.455 0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.495 -12.762 2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.821 -11.909 3.392 1.00 0.00 H new ATOM 533 N TRP A 32 -11.821 -10.140 1.438 1.00 0.00 N ATOM 534 CA TRP A 32 -10.635 -9.365 1.810 1.00 0.00 C ATOM 535 C TRP A 32 -10.815 -7.878 1.515 1.00 0.00 C ATOM 536 O TRP A 32 -11.591 -7.495 0.643 1.00 0.00 O ATOM 537 CB TRP A 32 -9.394 -9.895 1.082 1.00 0.00 C ATOM 538 CG TRP A 32 -9.469 -9.789 -0.412 1.00 0.00 C ATOM 539 CD1 TRP A 32 -10.282 -10.501 -1.245 1.00 0.00 C ATOM 540 CD2 TRP A 32 -8.693 -8.927 -1.253 1.00 0.00 C ATOM 541 NE1 TRP A 32 -10.063 -10.133 -2.551 1.00 0.00 N ATOM 542 CE2 TRP A 32 -9.091 -9.169 -2.583 1.00 0.00 C ATOM 543 CE3 TRP A 32 -7.699 -7.973 -1.014 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -8.532 -8.492 -3.665 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -7.146 -7.304 -2.089 1.00 0.00 C ATOM 546 CH2 TRP A 32 -7.564 -7.565 -3.398 1.00 0.00 C ATOM 0 H TRP A 32 -12.086 -10.061 0.456 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.497 -9.481 2.885 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.519 -9.346 1.431 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.245 -10.940 1.354 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.995 -11.246 -0.924 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.546 -10.516 -3.364 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -7.369 -7.763 -0.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -8.852 -8.692 -4.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.377 -6.566 -1.915 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -7.112 -7.022 -4.215 1.00 0.00 H new ATOM 557 N SER A 33 -10.080 -7.047 2.255 1.00 0.00 N ATOM 558 CA SER A 33 -10.136 -5.599 2.087 1.00 0.00 C ATOM 559 C SER A 33 -8.731 -5.001 2.122 1.00 0.00 C ATOM 560 O SER A 33 -8.023 -5.117 3.126 1.00 0.00 O ATOM 561 CB SER A 33 -11.001 -4.968 3.183 1.00 0.00 C ATOM 562 OG SER A 33 -10.993 -3.552 3.094 1.00 0.00 O ATOM 0 H SER A 33 -9.435 -7.358 2.981 1.00 0.00 H new ATOM 0 HA SER A 33 -10.584 -5.384 1.117 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.024 -5.334 3.098 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.633 -5.275 4.162 1.00 0.00 H new ATOM 0 HG SER A 33 -11.554 -3.176 3.804 1.00 0.00 H new ATOM 568 N ILE A 34 -8.332 -4.365 1.021 1.00 0.00 N ATOM 569 CA ILE A 34 -7.011 -3.753 0.925 1.00 0.00 C ATOM 570 C ILE A 34 -7.107 -2.244 0.690 1.00 0.00 C ATOM 571 O ILE A 34 -7.913 -1.781 -0.121 1.00 0.00 O ATOM 572 CB ILE A 34 -6.172 -4.392 -0.207 1.00 0.00 C ATOM 573 CG1 ILE A 34 -4.747 -3.825 -0.209 1.00 0.00 C ATOM 574 CG2 ILE A 34 -6.840 -4.171 -1.559 1.00 0.00 C ATOM 575 CD1 ILE A 34 -3.868 -4.383 0.889 1.00 0.00 C ATOM 0 H ILE A 34 -8.906 -4.261 0.184 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.515 -3.932 1.879 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.113 -5.465 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.284 -4.033 -1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.797 -2.741 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.235 -4.627 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.831 -4.626 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.933 -3.102 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.876 -3.936 0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.307 -4.152 1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.787 -5.464 0.776 1.00 0.00 H new ATOM 587 N GLU A 35 -6.272 -1.487 1.397 1.00 0.00 N ATOM 588 CA GLU A 35 -6.246 -0.034 1.260 1.00 0.00 C ATOM 589 C GLU A 35 -4.805 0.466 1.178 1.00 0.00 C ATOM 590 O GLU A 35 -3.930 -0.021 1.896 1.00 0.00 O ATOM 591 CB GLU A 35 -6.975 0.635 2.429 1.00 0.00 C ATOM 592 CG GLU A 35 -6.337 0.378 3.789 1.00 0.00 C ATOM 593 CD GLU A 35 -5.830 1.648 4.443 1.00 0.00 C ATOM 594 OE1 GLU A 35 -4.751 2.133 4.043 1.00 0.00 O ATOM 595 OE2 GLU A 35 -6.511 2.159 5.359 1.00 0.00 O ATOM 0 H GLU A 35 -5.603 -1.857 2.072 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.762 0.232 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.010 1.710 2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.006 0.281 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.066 -0.098 4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.509 -0.322 3.672 1.00 0.00 H new ATOM 602 N ILE A 36 -4.562 1.431 0.294 1.00 0.00 N ATOM 603 CA ILE A 36 -3.227 1.988 0.112 1.00 0.00 C ATOM 604 C ILE A 36 -3.238 3.503 0.312 1.00 0.00 C ATOM 605 O ILE A 36 -3.713 4.245 -0.550 1.00 0.00 O ATOM 606 CB ILE A 36 -2.679 1.666 -1.301 1.00 0.00 C ATOM 607 CG1 ILE A 36 -2.963 0.206 -1.677 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.186 1.953 -1.378 1.00 0.00 C ATOM 609 CD1 ILE A 36 -4.252 0.012 -2.449 1.00 0.00 C ATOM 0 H ILE A 36 -5.275 1.843 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.579 1.531 0.859 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.191 2.310 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.133 -0.174 -2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.002 -0.393 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.822 1.720 -2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.006 3.006 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.659 1.338 -0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.383 -1.046 -2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.092 0.360 -1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.210 0.582 -3.377 1.00 0.00 H new ATOM 621 N VAL A 37 -2.707 3.957 1.450 1.00 0.00 N ATOM 622 CA VAL A 37 -2.656 5.387 1.754 1.00 0.00 C ATOM 623 C VAL A 37 -1.217 5.890 1.839 1.00 0.00 C ATOM 624 O VAL A 37 -0.304 5.141 2.193 1.00 0.00 O ATOM 625 CB VAL A 37 -3.395 5.726 3.068 1.00 0.00 C ATOM 626 CG1 VAL A 37 -4.876 5.397 2.953 1.00 0.00 C ATOM 627 CG2 VAL A 37 -2.773 5.001 4.254 1.00 0.00 C ATOM 0 H VAL A 37 -2.308 3.357 2.172 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.162 5.892 0.931 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.293 6.797 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.377 5.643 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.316 5.978 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.997 4.334 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.315 5.260 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.829 3.924 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.729 5.299 4.356 1.00 0.00 H new ATOM 637 N LEU A 38 -1.028 7.167 1.503 1.00 0.00 N ATOM 638 CA LEU A 38 0.294 7.790 1.530 1.00 0.00 C ATOM 639 C LEU A 38 0.202 9.297 1.280 1.00 0.00 C ATOM 640 O LEU A 38 -0.886 9.837 1.071 1.00 0.00 O ATOM 641 CB LEU A 38 1.204 7.141 0.482 1.00 0.00 C ATOM 642 CG LEU A 38 0.560 6.922 -0.891 1.00 0.00 C ATOM 643 CD1 LEU A 38 1.251 7.768 -1.949 1.00 0.00 C ATOM 644 CD2 LEU A 38 0.589 5.446 -1.268 1.00 0.00 C ATOM 0 H LEU A 38 -1.778 7.792 1.208 1.00 0.00 H new ATOM 0 HA LEU A 38 0.719 7.635 2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.089 7.764 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.544 6.179 0.864 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.482 7.236 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.779 7.598 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.167 8.822 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.304 7.491 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.127 5.311 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.622 5.100 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.039 4.870 -0.524 1.00 0.00 H new ATOM 656 N LEU A 39 1.356 9.972 1.305 1.00 0.00 N ATOM 657 CA LEU A 39 1.409 11.417 1.084 1.00 0.00 C ATOM 658 C LEU A 39 1.923 11.746 -0.319 1.00 0.00 C ATOM 659 O LEU A 39 2.484 10.890 -1.006 1.00 0.00 O ATOM 660 CB LEU A 39 2.313 12.088 2.128 1.00 0.00 C ATOM 661 CG LEU A 39 1.626 12.518 3.428 1.00 0.00 C ATOM 662 CD1 LEU A 39 0.375 13.337 3.142 1.00 0.00 C ATOM 663 CD2 LEU A 39 1.290 11.301 4.275 1.00 0.00 C ATOM 0 H LEU A 39 2.264 9.539 1.476 1.00 0.00 H new ATOM 0 HA LEU A 39 0.394 11.801 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.121 11.400 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.771 12.967 1.673 1.00 0.00 H new ATOM 0 HG LEU A 39 2.317 13.150 3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.092 13.628 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.646 14.230 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.326 12.739 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.802 11.622 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.620 10.645 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.206 10.763 4.518 1.00 0.00 H new ATOM 675 N ASP A 40 1.736 13.000 -0.726 1.00 0.00 N ATOM 676 CA ASP A 40 2.180 13.470 -2.035 1.00 0.00 C ATOM 677 C ASP A 40 2.120 14.995 -2.103 1.00 0.00 C ATOM 678 O ASP A 40 3.092 15.642 -2.491 1.00 0.00 O ATOM 679 CB ASP A 40 1.339 12.856 -3.162 1.00 0.00 C ATOM 680 CG ASP A 40 -0.155 13.000 -2.937 1.00 0.00 C ATOM 681 OD1 ASP A 40 -0.703 12.262 -2.094 1.00 0.00 O ATOM 682 OD2 ASP A 40 -0.772 13.856 -3.604 1.00 0.00 O ATOM 0 H ASP A 40 1.276 13.714 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 40 3.213 13.150 -2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.606 13.331 -4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.586 11.799 -3.256 1.00 0.00 H new ATOM 687 N ASP A 41 0.974 15.563 -1.716 1.00 0.00 N ATOM 688 CA ASP A 41 0.784 17.013 -1.729 1.00 0.00 C ATOM 689 C ASP A 41 1.582 17.692 -0.615 1.00 0.00 C ATOM 690 O ASP A 41 2.022 18.832 -0.764 1.00 0.00 O ATOM 691 CB ASP A 41 -0.699 17.360 -1.573 1.00 0.00 C ATOM 692 CG ASP A 41 -1.068 18.679 -2.229 1.00 0.00 C ATOM 693 OD1 ASP A 41 -0.197 19.569 -2.324 1.00 0.00 O ATOM 694 OD2 ASP A 41 -2.234 18.826 -2.643 1.00 0.00 O ATOM 0 H ASP A 41 0.163 15.038 -1.389 1.00 0.00 H new ATOM 0 HA ASP A 41 1.147 17.380 -2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.302 16.562 -2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.947 17.405 -0.513 1.00 0.00 H new ATOM 699 N GLU A 42 1.758 16.991 0.502 1.00 0.00 N ATOM 700 CA GLU A 42 2.493 17.533 1.638 1.00 0.00 C ATOM 701 C GLU A 42 3.996 17.357 1.452 1.00 0.00 C ATOM 702 O GLU A 42 4.782 18.224 1.839 1.00 0.00 O ATOM 703 CB GLU A 42 2.045 16.853 2.933 1.00 0.00 C ATOM 704 CG GLU A 42 0.947 17.604 3.665 1.00 0.00 C ATOM 705 CD GLU A 42 -0.352 16.826 3.722 1.00 0.00 C ATOM 706 OE1 GLU A 42 -1.005 16.684 2.667 1.00 0.00 O ATOM 707 OE2 GLU A 42 -0.713 16.355 4.820 1.00 0.00 O ATOM 0 H GLU A 42 1.401 16.046 0.643 1.00 0.00 H new ATOM 0 HA GLU A 42 2.277 18.600 1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.694 15.847 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.905 16.747 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.278 17.826 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.773 18.559 3.170 1.00 0.00 H new ATOM 714 N GLY A 43 4.390 16.231 0.859 1.00 0.00 N ATOM 715 CA GLY A 43 5.797 15.967 0.638 1.00 0.00 C ATOM 716 C GLY A 43 6.234 16.262 -0.781 1.00 0.00 C ATOM 717 O GLY A 43 6.875 15.429 -1.419 1.00 0.00 O ATOM 0 H GLY A 43 3.759 15.500 0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.388 16.570 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.006 14.922 0.868 1.00 0.00 H new ATOM 721 N LYS A 44 5.888 17.454 -1.269 1.00 0.00 N ATOM 722 CA LYS A 44 6.241 17.882 -2.622 1.00 0.00 C ATOM 723 C LYS A 44 5.804 16.853 -3.665 1.00 0.00 C ATOM 724 O LYS A 44 6.509 15.874 -3.923 1.00 0.00 O ATOM 725 CB LYS A 44 7.747 18.139 -2.725 1.00 0.00 C ATOM 726 CG LYS A 44 8.161 19.519 -2.235 1.00 0.00 C ATOM 727 CD LYS A 44 9.237 20.133 -3.118 1.00 0.00 C ATOM 728 CE LYS A 44 10.290 20.866 -2.298 1.00 0.00 C ATOM 729 NZ LYS A 44 9.689 21.890 -1.392 1.00 0.00 N ATOM 0 H LYS A 44 5.358 18.146 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 44 5.710 18.811 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.277 17.382 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.058 18.022 -3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.290 20.174 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.529 19.446 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.715 19.350 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.777 20.826 -3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.853 20.145 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.999 21.349 -2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.439 22.509 -1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.999 22.460 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.210 21.415 -0.601 1.00 0.00 H new ATOM 743 N GLU A 45 4.636 17.086 -4.267 1.00 0.00 N ATOM 744 CA GLU A 45 4.100 16.184 -5.286 1.00 0.00 C ATOM 745 C GLU A 45 5.068 16.025 -6.464 1.00 0.00 C ATOM 746 O GLU A 45 5.039 15.013 -7.167 1.00 0.00 O ATOM 747 CB GLU A 45 2.741 16.689 -5.790 1.00 0.00 C ATOM 748 CG GLU A 45 2.808 18.028 -6.512 1.00 0.00 C ATOM 749 CD GLU A 45 2.022 18.033 -7.808 1.00 0.00 C ATOM 750 OE1 GLU A 45 0.775 18.053 -7.747 1.00 0.00 O ATOM 751 OE2 GLU A 45 2.655 18.014 -8.885 1.00 0.00 O ATOM 0 H GLU A 45 4.044 17.892 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 45 3.969 15.207 -4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.315 15.945 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.061 16.778 -4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.424 18.810 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.849 18.271 -6.722 1.00 0.00 H new ATOM 758 N ILE A 46 5.926 17.027 -6.669 1.00 0.00 N ATOM 759 CA ILE A 46 6.901 16.999 -7.752 1.00 0.00 C ATOM 760 C ILE A 46 8.139 16.195 -7.350 1.00 0.00 C ATOM 761 O ILE A 46 8.874 16.590 -6.443 1.00 0.00 O ATOM 762 CB ILE A 46 7.344 18.424 -8.154 1.00 0.00 C ATOM 763 CG1 ILE A 46 6.126 19.340 -8.344 1.00 0.00 C ATOM 764 CG2 ILE A 46 8.185 18.380 -9.423 1.00 0.00 C ATOM 765 CD1 ILE A 46 5.812 20.199 -7.135 1.00 0.00 C ATOM 0 H ILE A 46 5.962 17.869 -6.095 1.00 0.00 H new ATOM 0 HA ILE A 46 6.414 16.524 -8.604 1.00 0.00 H new ATOM 0 HB ILE A 46 7.954 18.834 -7.349 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.301 19.988 -9.203 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.256 18.727 -8.579 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.489 19.391 -9.693 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.071 17.768 -9.252 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.598 17.949 -10.234 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.940 20.818 -7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.604 19.559 -6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.666 20.839 -6.912 1.00 0.00 H new ATOM 777 N PRO A 47 8.389 15.053 -8.025 1.00 0.00 N ATOM 778 CA PRO A 47 9.549 14.197 -7.732 1.00 0.00 C ATOM 779 C PRO A 47 10.874 14.842 -8.145 1.00 0.00 C ATOM 780 O PRO A 47 10.905 15.994 -8.583 1.00 0.00 O ATOM 781 CB PRO A 47 9.283 12.941 -8.567 1.00 0.00 C ATOM 782 CG PRO A 47 8.420 13.409 -9.687 1.00 0.00 C ATOM 783 CD PRO A 47 7.565 14.507 -9.122 1.00 0.00 C ATOM 0 HA PRO A 47 9.651 14.004 -6.664 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.212 12.507 -8.937 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.785 12.172 -7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.024 13.773 -10.518 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.805 12.595 -10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.339 15.266 -9.871 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.611 14.126 -8.757 1.00 0.00 H new ATOM 791 N ALA A 48 11.965 14.090 -8.002 1.00 0.00 N ATOM 792 CA ALA A 48 13.294 14.584 -8.359 1.00 0.00 C ATOM 793 C ALA A 48 14.178 13.471 -8.919 1.00 0.00 C ATOM 794 O ALA A 48 14.770 13.620 -9.988 1.00 0.00 O ATOM 795 CB ALA A 48 13.957 15.231 -7.151 1.00 0.00 C ATOM 0 H ALA A 48 11.954 13.136 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 48 13.171 15.332 -9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.946 15.595 -7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.348 16.066 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.053 14.496 -6.352 1.00 0.00 H new ATOM 801 N THR A 49 14.267 12.356 -8.191 1.00 0.00 N ATOM 802 CA THR A 49 15.084 11.221 -8.620 1.00 0.00 C ATOM 803 C THR A 49 14.205 10.089 -9.154 1.00 0.00 C ATOM 804 O THR A 49 14.199 9.817 -10.356 1.00 0.00 O ATOM 805 CB THR A 49 15.957 10.724 -7.461 1.00 0.00 C ATOM 806 OG1 THR A 49 16.617 11.805 -6.827 1.00 0.00 O ATOM 807 CG2 THR A 49 17.019 9.730 -7.887 1.00 0.00 C ATOM 0 H THR A 49 13.784 12.216 -7.304 1.00 0.00 H new ATOM 0 HA THR A 49 15.735 11.554 -9.428 1.00 0.00 H new ATOM 0 HB THR A 49 15.267 10.226 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.167 11.466 -6.090 1.00 0.00 H new ATOM 0 HG21 THR A 49 17.599 9.421 -7.017 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.542 8.857 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.681 10.195 -8.617 1.00 0.00 H new ATOM 815 N ILE A 50 13.456 9.435 -8.262 1.00 0.00 N ATOM 816 CA ILE A 50 12.571 8.343 -8.661 1.00 0.00 C ATOM 817 C ILE A 50 11.179 8.510 -8.043 1.00 0.00 C ATOM 818 O ILE A 50 10.282 9.064 -8.680 1.00 0.00 O ATOM 819 CB ILE A 50 13.155 6.958 -8.283 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.526 6.757 -8.937 1.00 0.00 C ATOM 821 CG2 ILE A 50 12.200 5.845 -8.700 1.00 0.00 C ATOM 822 CD1 ILE A 50 15.652 6.582 -7.942 1.00 0.00 C ATOM 0 H ILE A 50 13.446 9.643 -7.264 1.00 0.00 H new ATOM 0 HA ILE A 50 12.484 8.387 -9.747 1.00 0.00 H new ATOM 0 HB ILE A 50 13.279 6.921 -7.201 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.485 5.881 -9.585 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.745 7.614 -9.574 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.625 4.879 -8.427 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.244 5.977 -8.193 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.047 5.882 -9.779 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.592 6.445 -8.477 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.720 7.467 -7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.457 5.707 -7.321 1.00 0.00 H new ATOM 834 N PHE A 51 11.004 8.035 -6.802 1.00 0.00 N ATOM 835 CA PHE A 51 9.723 8.136 -6.099 1.00 0.00 C ATOM 836 C PHE A 51 8.588 7.496 -6.905 1.00 0.00 C ATOM 837 O PHE A 51 7.996 8.128 -7.780 1.00 0.00 O ATOM 838 CB PHE A 51 9.401 9.602 -5.785 1.00 0.00 C ATOM 839 CG PHE A 51 8.084 9.809 -5.078 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.814 9.171 -3.875 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.121 10.647 -5.616 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.609 9.366 -3.226 1.00 0.00 C ATOM 843 CE2 PHE A 51 5.915 10.845 -4.971 1.00 0.00 C ATOM 844 CZ PHE A 51 5.658 10.204 -3.775 1.00 0.00 C ATOM 0 H PHE A 51 11.739 7.575 -6.264 1.00 0.00 H new ATOM 0 HA PHE A 51 9.812 7.587 -5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.200 10.014 -5.168 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.393 10.168 -6.716 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.554 8.515 -3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.315 11.152 -6.551 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.411 8.864 -2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.173 11.501 -5.402 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.716 10.358 -3.270 1.00 0.00 H new ATOM 854 N ASP A 52 8.291 6.236 -6.591 1.00 0.00 N ATOM 855 CA ASP A 52 7.227 5.496 -7.268 1.00 0.00 C ATOM 856 C ASP A 52 6.763 4.325 -6.411 1.00 0.00 C ATOM 857 O ASP A 52 7.507 3.364 -6.200 1.00 0.00 O ATOM 858 CB ASP A 52 7.700 4.985 -8.633 1.00 0.00 C ATOM 859 CG ASP A 52 6.568 4.391 -9.455 1.00 0.00 C ATOM 860 OD1 ASP A 52 5.489 5.019 -9.530 1.00 0.00 O ATOM 861 OD2 ASP A 52 6.760 3.295 -10.025 1.00 0.00 O ATOM 0 H ASP A 52 8.775 5.704 -5.868 1.00 0.00 H new ATOM 0 HA ASP A 52 6.390 6.177 -7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.155 5.806 -9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.474 4.231 -8.487 1.00 0.00 H new ATOM 866 N LYS A 53 5.535 4.412 -5.916 1.00 0.00 N ATOM 867 CA LYS A 53 4.974 3.360 -5.077 1.00 0.00 C ATOM 868 C LYS A 53 4.066 2.448 -5.894 1.00 0.00 C ATOM 869 O LYS A 53 3.093 2.905 -6.492 1.00 0.00 O ATOM 870 CB LYS A 53 4.192 3.963 -3.906 1.00 0.00 C ATOM 871 CG LYS A 53 4.863 5.171 -3.265 1.00 0.00 C ATOM 872 CD LYS A 53 3.947 6.386 -3.266 1.00 0.00 C ATOM 873 CE LYS A 53 4.053 7.165 -4.568 1.00 0.00 C ATOM 874 NZ LYS A 53 3.179 8.373 -4.574 1.00 0.00 N ATOM 0 H LYS A 53 4.908 5.200 -6.081 1.00 0.00 H new ATOM 0 HA LYS A 53 5.799 2.769 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.202 4.254 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.048 3.195 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.147 4.929 -2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.781 5.406 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.916 6.065 -3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.203 7.037 -2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.088 7.467 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.780 6.517 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.271 8.863 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.189 8.086 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.467 9.013 -3.807 1.00 0.00 H new ATOM 888 N VAL A 54 4.389 1.158 -5.916 1.00 0.00 N ATOM 889 CA VAL A 54 3.600 0.184 -6.663 1.00 0.00 C ATOM 890 C VAL A 54 3.055 -0.908 -5.740 1.00 0.00 C ATOM 891 O VAL A 54 3.802 -1.520 -4.973 1.00 0.00 O ATOM 892 CB VAL A 54 4.425 -0.445 -7.808 1.00 0.00 C ATOM 893 CG1 VAL A 54 5.576 -1.286 -7.269 1.00 0.00 C ATOM 894 CG2 VAL A 54 3.532 -1.269 -8.722 1.00 0.00 C ATOM 0 H VAL A 54 5.191 0.763 -5.425 1.00 0.00 H new ATOM 0 HA VAL A 54 2.756 0.716 -7.102 1.00 0.00 H new ATOM 0 HB VAL A 54 4.858 0.367 -8.392 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.135 -1.713 -8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.237 -0.658 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.180 -2.089 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.132 -1.703 -9.522 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.061 -2.067 -8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.762 -0.629 -9.153 1.00 0.00 H new ATOM 904 N ILE A 55 1.743 -1.138 -5.817 1.00 0.00 N ATOM 905 CA ILE A 55 1.080 -2.142 -4.987 1.00 0.00 C ATOM 906 C ILE A 55 0.474 -3.259 -5.838 1.00 0.00 C ATOM 907 O ILE A 55 -0.007 -3.020 -6.946 1.00 0.00 O ATOM 908 CB ILE A 55 -0.035 -1.511 -4.126 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.476 -0.243 -3.436 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.554 -2.511 -3.098 1.00 0.00 C ATOM 911 CD1 ILE A 55 0.071 1.031 -4.146 1.00 0.00 C ATOM 0 H ILE A 55 1.117 -0.639 -6.449 1.00 0.00 H new ATOM 0 HA ILE A 55 1.845 -2.563 -4.335 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.862 -1.238 -4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.098 -0.217 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.563 -0.285 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.339 -2.046 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.957 -3.384 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.263 -2.819 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.466 1.891 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.472 1.026 -5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.016 1.095 -4.186 1.00 0.00 H new ATOM 923 N TYR A 56 0.501 -4.477 -5.305 1.00 0.00 N ATOM 924 CA TYR A 56 -0.043 -5.638 -6.004 1.00 0.00 C ATOM 925 C TYR A 56 -0.725 -6.596 -5.030 1.00 0.00 C ATOM 926 O TYR A 56 -0.135 -6.997 -4.028 1.00 0.00 O ATOM 927 CB TYR A 56 1.066 -6.377 -6.758 1.00 0.00 C ATOM 928 CG TYR A 56 1.662 -5.589 -7.903 1.00 0.00 C ATOM 929 CD1 TYR A 56 0.904 -5.272 -9.024 1.00 0.00 C ATOM 930 CD2 TYR A 56 2.985 -5.163 -7.863 1.00 0.00 C ATOM 931 CE1 TYR A 56 1.448 -4.556 -10.075 1.00 0.00 C ATOM 932 CE2 TYR A 56 3.535 -4.446 -8.910 1.00 0.00 C ATOM 933 CZ TYR A 56 2.763 -4.145 -10.011 1.00 0.00 C ATOM 934 OH TYR A 56 3.308 -3.431 -11.056 1.00 0.00 O ATOM 0 H TYR A 56 0.895 -4.686 -4.388 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.785 -5.278 -6.717 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.859 -6.635 -6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.666 -7.314 -7.145 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.127 -5.590 -9.075 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.593 -5.396 -7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.847 -4.320 -10.941 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.565 -4.124 -8.865 1.00 0.00 H new ATOM 0 HH TYR A 56 2.606 -2.905 -11.494 1.00 0.00 H new ATOM 944 N HIS A 57 -1.968 -6.960 -5.340 1.00 0.00 N ATOM 945 CA HIS A 57 -2.732 -7.875 -4.499 1.00 0.00 C ATOM 946 C HIS A 57 -3.285 -9.035 -5.324 1.00 0.00 C ATOM 947 O HIS A 57 -3.799 -8.829 -6.425 1.00 0.00 O ATOM 948 CB HIS A 57 -3.881 -7.138 -3.795 1.00 0.00 C ATOM 949 CG HIS A 57 -4.665 -6.230 -4.693 1.00 0.00 C ATOM 950 ND1 HIS A 57 -5.301 -6.662 -5.838 1.00 0.00 N ATOM 951 CD2 HIS A 57 -4.918 -4.904 -4.606 1.00 0.00 C ATOM 952 CE1 HIS A 57 -5.909 -5.642 -6.414 1.00 0.00 C ATOM 953 NE2 HIS A 57 -5.691 -4.563 -5.687 1.00 0.00 N ATOM 0 H HIS A 57 -2.466 -6.634 -6.168 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.057 -8.275 -3.742 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.557 -7.873 -3.359 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.473 -6.553 -2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.575 -4.237 -3.829 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.487 -5.684 -7.326 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.040 -3.627 -5.895 1.00 0.00 H new ATOM 962 N LEU A 58 -3.164 -10.251 -4.784 1.00 0.00 N ATOM 963 CA LEU A 58 -3.643 -11.459 -5.457 1.00 0.00 C ATOM 964 C LEU A 58 -2.830 -11.750 -6.722 1.00 0.00 C ATOM 965 O LEU A 58 -1.886 -11.027 -7.045 1.00 0.00 O ATOM 966 CB LEU A 58 -5.150 -11.349 -5.773 1.00 0.00 C ATOM 967 CG LEU A 58 -5.517 -10.869 -7.188 1.00 0.00 C ATOM 968 CD1 LEU A 58 -6.049 -12.020 -8.030 1.00 0.00 C ATOM 969 CD2 LEU A 58 -6.541 -9.743 -7.122 1.00 0.00 C ATOM 0 H LEU A 58 -2.735 -10.424 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.502 -12.300 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.605 -12.327 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.602 -10.667 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.612 -10.489 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.302 -11.656 -9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.287 -12.795 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.940 -12.434 -7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.788 -9.416 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.443 -10.100 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.125 -8.906 -6.562 1.00 0.00 H new ATOM 1071 N PRO A 65 -3.996 -3.384 -11.696 1.00 0.00 N ATOM 1072 CA PRO A 65 -3.106 -3.360 -10.530 1.00 0.00 C ATOM 1073 C PRO A 65 -3.155 -2.018 -9.797 1.00 0.00 C ATOM 1074 O PRO A 65 -3.892 -1.113 -10.195 1.00 0.00 O ATOM 1075 CB PRO A 65 -1.719 -3.594 -11.135 1.00 0.00 C ATOM 1076 CG PRO A 65 -1.828 -3.102 -12.538 1.00 0.00 C ATOM 1077 CD PRO A 65 -3.244 -3.373 -12.968 1.00 0.00 C ATOM 0 HA PRO A 65 -3.386 -4.103 -9.784 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.950 -3.052 -10.584 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.447 -4.649 -11.106 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.600 -2.038 -12.596 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.119 -3.616 -13.187 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.612 -2.602 -13.645 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.329 -4.325 -13.492 1.00 0.00 H new ATOM 1085 N ASN A 66 -2.369 -1.894 -8.729 1.00 0.00 N ATOM 1086 CA ASN A 66 -2.328 -0.660 -7.948 1.00 0.00 C ATOM 1087 C ASN A 66 -0.981 0.042 -8.102 1.00 0.00 C ATOM 1088 O ASN A 66 0.073 -0.563 -7.899 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.596 -0.956 -6.468 1.00 0.00 C ATOM 1090 CG ASN A 66 -4.077 -1.046 -6.151 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -4.617 -2.136 -5.970 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.741 0.101 -6.071 1.00 0.00 N ATOM 0 H ASN A 66 -1.753 -2.631 -8.386 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.107 0.002 -8.326 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.112 -1.894 -6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.144 -0.175 -5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.737 0.099 -5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.255 0.984 -6.228 1.00 0.00 H new ATOM 1099 N ARG A 67 -1.022 1.322 -8.462 1.00 0.00 N ATOM 1100 CA ARG A 67 0.196 2.107 -8.638 1.00 0.00 C ATOM 1101 C ARG A 67 -0.013 3.540 -8.163 1.00 0.00 C ATOM 1102 O ARG A 67 -0.911 4.238 -8.639 1.00 0.00 O ATOM 1103 CB ARG A 67 0.634 2.100 -10.104 1.00 0.00 C ATOM 1104 CG ARG A 67 2.138 1.978 -10.284 1.00 0.00 C ATOM 1105 CD ARG A 67 2.486 1.283 -11.590 1.00 0.00 C ATOM 1106 NE ARG A 67 3.867 1.542 -11.991 1.00 0.00 N ATOM 1107 CZ ARG A 67 4.276 2.674 -12.568 1.00 0.00 C ATOM 1108 NH1 ARG A 67 3.410 3.655 -12.820 1.00 0.00 N ATOM 1109 NH2 ARG A 67 5.553 2.827 -12.893 1.00 0.00 N ATOM 0 H ARG A 67 -1.885 1.837 -8.637 1.00 0.00 H new ATOM 0 HA ARG A 67 0.981 1.651 -8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.146 1.272 -10.617 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.292 3.018 -10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.590 2.970 -10.266 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.562 1.420 -9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.334 0.209 -11.482 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.810 1.623 -12.374 1.00 0.00 H new ATOM 0 HE ARG A 67 4.560 0.814 -11.820 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.427 3.544 -12.572 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.730 4.517 -13.261 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.221 2.080 -12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.867 3.691 -13.334 1.00 0.00 H new ATOM 1123 N THR A 68 0.821 3.973 -7.221 1.00 0.00 N ATOM 1124 CA THR A 68 0.730 5.323 -6.679 1.00 0.00 C ATOM 1125 C THR A 68 1.870 6.195 -7.195 1.00 0.00 C ATOM 1126 O THR A 68 3.016 5.750 -7.292 1.00 0.00 O ATOM 1127 CB THR A 68 0.748 5.304 -5.145 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.513 4.000 -4.646 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.281 6.224 -4.526 1.00 0.00 C ATOM 0 H THR A 68 1.568 3.407 -6.818 1.00 0.00 H new ATOM 0 HA THR A 68 -0.217 5.746 -7.013 1.00 0.00 H new ATOM 0 HB THR A 68 1.743 5.652 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.190 4.032 -3.964 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.216 6.164 -3.440 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.091 7.249 -4.845 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.278 5.923 -4.847 1.00 0.00 H new ATOM 1137 N PHE A 69 1.541 7.440 -7.519 1.00 0.00 N ATOM 1138 CA PHE A 69 2.518 8.403 -8.023 1.00 0.00 C ATOM 1139 C PHE A 69 1.997 9.827 -7.836 1.00 0.00 C ATOM 1140 O PHE A 69 2.651 10.659 -7.204 1.00 0.00 O ATOM 1141 CB PHE A 69 2.818 8.132 -9.502 1.00 0.00 C ATOM 1142 CG PHE A 69 4.018 8.873 -10.026 1.00 0.00 C ATOM 1143 CD1 PHE A 69 5.295 8.365 -9.849 1.00 0.00 C ATOM 1144 CD2 PHE A 69 3.868 10.075 -10.701 1.00 0.00 C ATOM 1145 CE1 PHE A 69 6.399 9.041 -10.331 1.00 0.00 C ATOM 1146 CE2 PHE A 69 4.968 10.755 -11.188 1.00 0.00 C ATOM 1147 CZ PHE A 69 6.236 10.237 -11.003 1.00 0.00 C ATOM 0 H PHE A 69 0.594 7.811 -7.441 1.00 0.00 H new ATOM 0 HA PHE A 69 3.443 8.293 -7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.975 7.062 -9.641 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.946 8.406 -10.096 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.429 7.429 -9.328 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.880 10.485 -10.848 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.389 8.635 -10.183 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.837 11.690 -11.712 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.097 10.766 -11.383 1.00 0.00 H new ATOM 1157 N THR A 70 0.805 10.090 -8.380 1.00 0.00 N ATOM 1158 CA THR A 70 0.175 11.404 -8.272 1.00 0.00 C ATOM 1159 C THR A 70 -1.350 11.275 -8.137 1.00 0.00 C ATOM 1160 O THR A 70 -2.103 12.075 -8.695 1.00 0.00 O ATOM 1161 CB THR A 70 0.526 12.263 -9.496 1.00 0.00 C ATOM 1162 OG1 THR A 70 0.668 11.458 -10.658 1.00 0.00 O ATOM 1163 CG2 THR A 70 1.809 13.048 -9.326 1.00 0.00 C ATOM 0 H THR A 70 0.257 9.405 -8.901 1.00 0.00 H new ATOM 0 HA THR A 70 0.557 11.890 -7.374 1.00 0.00 H new ATOM 0 HB THR A 70 -0.303 12.963 -9.601 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.890 12.027 -11.425 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.999 13.633 -10.226 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.716 13.717 -8.471 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.637 12.360 -9.159 1.00 0.00 H new ATOM 1171 N ASP A 71 -1.797 10.257 -7.393 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.230 10.020 -7.189 1.00 0.00 C ATOM 1173 C ASP A 71 -3.560 9.819 -5.709 1.00 0.00 C ATOM 1174 O ASP A 71 -2.682 9.505 -4.905 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.684 8.797 -7.992 1.00 0.00 C ATOM 1176 CG ASP A 71 -4.264 9.174 -9.340 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -3.481 9.328 -10.300 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -5.502 9.321 -9.433 1.00 0.00 O ATOM 0 H ASP A 71 -1.189 9.586 -6.924 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.764 10.903 -7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.837 8.127 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.430 8.246 -7.419 1.00 0.00 H new ATOM 1183 N PRO A 72 -4.847 10.001 -5.332 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.310 9.843 -3.941 1.00 0.00 C ATOM 1185 C PRO A 72 -5.114 8.418 -3.412 1.00 0.00 C ATOM 1186 O PRO A 72 -4.707 7.521 -4.154 1.00 0.00 O ATOM 1187 CB PRO A 72 -6.807 10.184 -4.015 1.00 0.00 C ATOM 1188 CG PRO A 72 -6.974 10.938 -5.288 1.00 0.00 C ATOM 1189 CD PRO A 72 -5.951 10.381 -6.231 1.00 0.00 C ATOM 0 HA PRO A 72 -4.747 10.479 -3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.417 9.281 -4.010 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.117 10.783 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.981 10.814 -5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.822 12.006 -5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.335 9.524 -6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.636 11.120 -6.968 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.403 8.187 -2.113 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.253 6.867 -1.489 1.00 0.00 C ATOM 1199 C PRO A 73 -6.349 5.886 -1.911 1.00 0.00 C ATOM 1200 O PRO A 73 -7.484 6.285 -2.177 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.358 7.171 0.006 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.204 8.394 0.084 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.894 9.199 -1.151 1.00 0.00 C ATOM 0 HA PRO A 73 -4.319 6.386 -1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.811 6.341 0.548 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.375 7.341 0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.262 8.134 0.124 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.982 8.964 0.986 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.779 9.713 -1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.142 9.962 -0.953 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.001 4.600 -1.962 1.00 0.00 N ATOM 1212 CA PHE A 74 -6.950 3.557 -2.346 1.00 0.00 C ATOM 1213 C PHE A 74 -7.521 2.853 -1.112 1.00 0.00 C ATOM 1214 O PHE A 74 -6.899 2.842 -0.050 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.273 2.537 -3.266 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.331 2.904 -4.725 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -5.597 3.974 -5.216 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -7.116 2.176 -5.606 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -5.647 4.310 -6.557 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -7.170 2.508 -6.947 1.00 0.00 C ATOM 1221 CZ PHE A 74 -6.434 3.576 -7.422 1.00 0.00 C ATOM 0 H PHE A 74 -5.066 4.256 -1.741 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.773 4.029 -2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.230 2.430 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.746 1.565 -3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.980 4.551 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.692 1.339 -5.240 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.071 5.145 -6.927 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.787 1.933 -7.622 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.474 3.837 -8.469 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.710 2.267 -1.266 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.377 1.558 -0.174 1.00 0.00 C ATOM 1233 C ARG A 75 -10.603 0.805 -0.694 1.00 0.00 C ATOM 1234 O ARG A 75 -11.718 1.331 -0.681 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.793 2.546 0.924 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.152 1.882 2.246 1.00 0.00 C ATOM 1237 CD ARG A 75 -9.477 2.572 3.422 1.00 0.00 C ATOM 1238 NE ARG A 75 -10.431 2.935 4.470 1.00 0.00 N ATOM 1239 CZ ARG A 75 -11.304 3.940 4.370 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -11.351 4.689 3.271 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -12.137 4.197 5.373 1.00 0.00 N ATOM 0 H ARG A 75 -9.233 2.270 -2.142 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.677 0.836 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.979 3.251 1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.649 3.124 0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.233 1.904 2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.855 0.834 2.219 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.715 1.914 3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.966 3.469 3.071 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.429 2.386 5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.717 4.497 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.022 5.455 3.204 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.109 3.627 6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.804 4.965 5.298 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.385 -0.424 -1.163 1.00 0.00 N ATOM 1256 CA ILE A 76 -11.470 -1.249 -1.701 1.00 0.00 C ATOM 1257 C ILE A 76 -11.368 -2.693 -1.207 1.00 0.00 C ATOM 1258 O ILE A 76 -10.278 -3.186 -0.920 1.00 0.00 O ATOM 1259 CB ILE A 76 -11.466 -1.254 -3.250 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -11.344 0.172 -3.802 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -12.722 -1.926 -3.788 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -9.919 0.582 -4.115 1.00 0.00 C ATOM 0 H ILE A 76 -9.468 -0.871 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.401 -0.807 -1.345 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.599 -1.824 -3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -11.944 0.254 -4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.763 0.870 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.700 -1.919 -4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.765 -2.955 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.602 -1.385 -3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.910 1.601 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.318 0.533 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.502 -0.093 -4.863 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.517 -3.366 -1.122 1.00 0.00 N ATOM 1275 CA GLU A 77 -12.566 -4.757 -0.675 1.00 0.00 C ATOM 1276 C GLU A 77 -13.213 -5.651 -1.735 1.00 0.00 C ATOM 1277 O GLU A 77 -13.964 -5.176 -2.590 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.332 -4.870 0.651 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.727 -4.257 0.622 1.00 0.00 C ATOM 1280 CD GLU A 77 -15.765 -5.170 -0.010 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -15.809 -6.365 0.354 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -16.534 -4.688 -0.868 1.00 0.00 O ATOM 0 H GLU A 77 -13.426 -2.969 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.542 -5.096 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.416 -5.923 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.751 -4.385 1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.034 -4.018 1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.693 -3.318 0.070 1.00 0.00 H new ATOM 1289 N GLU A 78 -12.913 -6.948 -1.669 1.00 0.00 N ATOM 1290 CA GLU A 78 -13.459 -7.914 -2.618 1.00 0.00 C ATOM 1291 C GLU A 78 -14.020 -9.136 -1.899 1.00 0.00 C ATOM 1292 O GLU A 78 -13.449 -9.613 -0.916 1.00 0.00 O ATOM 1293 CB GLU A 78 -12.379 -8.342 -3.616 1.00 0.00 C ATOM 1294 CG GLU A 78 -12.355 -7.506 -4.885 1.00 0.00 C ATOM 1295 CD GLU A 78 -11.020 -6.816 -5.105 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -10.652 -5.956 -4.277 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -10.344 -7.138 -6.106 1.00 0.00 O ATOM 0 H GLU A 78 -12.294 -7.353 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.275 -7.433 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.404 -8.280 -3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.537 -9.387 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.575 -8.145 -5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.144 -6.756 -4.836 1.00 0.00 H new ATOM 1304 N GLN A 79 -15.148 -9.638 -2.403 1.00 0.00 N ATOM 1305 CA GLN A 79 -15.806 -10.806 -1.823 1.00 0.00 C ATOM 1306 C GLN A 79 -16.010 -11.895 -2.881 1.00 0.00 C ATOM 1307 O GLN A 79 -16.425 -11.607 -4.005 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.156 -10.394 -1.224 1.00 0.00 C ATOM 1309 CG GLN A 79 -18.018 -11.562 -0.759 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.296 -11.703 -1.566 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -19.528 -12.727 -2.208 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -20.135 -10.672 -1.535 1.00 0.00 N ATOM 0 H GLN A 79 -15.626 -9.250 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.170 -11.210 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -16.978 -9.730 -0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.711 -9.821 -1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.443 -12.485 -0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -18.270 -11.426 0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -19.903 -9.842 -0.989 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -21.011 -10.711 -2.057 1.00 0.00 H new ATOM 1321 N GLY A 80 -15.720 -13.145 -2.512 1.00 0.00 N ATOM 1322 CA GLY A 80 -15.880 -14.259 -3.438 1.00 0.00 C ATOM 1323 C GLY A 80 -14.635 -15.117 -3.547 1.00 0.00 C ATOM 1324 O GLY A 80 -13.812 -15.147 -2.632 1.00 0.00 O ATOM 0 H GLY A 80 -15.377 -13.406 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.715 -14.879 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.136 -13.872 -4.424 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.501 -15.824 -4.669 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.351 -16.697 -4.894 1.00 0.00 C ATOM 1330 C TRP A 81 -12.103 -15.891 -5.247 1.00 0.00 C ATOM 1331 O TRP A 81 -12.134 -15.020 -6.119 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.644 -17.692 -6.018 1.00 0.00 C ATOM 1333 CG TRP A 81 -14.363 -18.934 -5.572 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -14.530 -19.378 -4.292 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -15.005 -19.896 -6.417 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -15.240 -20.556 -4.289 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -15.543 -20.893 -5.582 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -15.183 -20.009 -7.800 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -16.242 -21.989 -6.085 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -15.875 -21.096 -8.297 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -16.399 -22.073 -7.443 1.00 0.00 C ATOM 0 H TRP A 81 -15.174 -15.809 -5.435 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.167 -17.239 -3.967 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -14.242 -17.194 -6.781 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -12.703 -17.980 -6.487 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -14.159 -18.877 -3.410 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.499 -21.091 -3.460 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -14.786 -19.259 -8.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -16.645 -22.745 -5.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -16.014 -21.194 -9.364 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -16.938 -22.910 -7.863 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.003 -16.197 -4.566 1.00 0.00 N ATOM 1353 CA GLY A 82 -9.746 -15.515 -4.811 1.00 0.00 C ATOM 1354 C GLY A 82 -8.713 -15.833 -3.749 1.00 0.00 C ATOM 1355 O GLY A 82 -8.459 -17.003 -3.455 1.00 0.00 O ATOM 0 H GLY A 82 -10.961 -16.913 -3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.361 -15.804 -5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.917 -14.439 -4.840 1.00 0.00 H new ATOM 1359 N GLY A 83 -8.126 -14.792 -3.165 1.00 0.00 N ATOM 1360 CA GLY A 83 -7.130 -14.982 -2.124 1.00 0.00 C ATOM 1361 C GLY A 83 -5.782 -15.418 -2.673 1.00 0.00 C ATOM 1362 O GLY A 83 -5.611 -16.577 -3.052 1.00 0.00 O ATOM 0 H GLY A 83 -8.323 -13.818 -3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.008 -14.051 -1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.488 -15.730 -1.416 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.825 -14.488 -2.715 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.486 -14.785 -3.222 1.00 0.00 C ATOM 1368 C PHE A 84 -2.446 -13.824 -2.639 1.00 0.00 C ATOM 1369 O PHE A 84 -2.795 -12.847 -1.974 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.474 -14.710 -4.752 1.00 0.00 C ATOM 1371 CG PHE A 84 -3.786 -16.020 -5.430 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -3.143 -17.189 -5.052 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -4.723 -16.074 -6.451 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -3.429 -18.388 -5.679 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -5.010 -17.269 -7.082 1.00 0.00 C ATOM 1376 CZ PHE A 84 -4.364 -18.427 -6.695 1.00 0.00 C ATOM 0 H PHE A 84 -4.953 -13.525 -2.404 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.223 -15.796 -2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.199 -13.963 -5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.494 -14.366 -5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.410 -17.163 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.234 -15.173 -6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.922 -19.292 -5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.739 -17.298 -7.878 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.590 -19.362 -7.186 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.145 -14.105 -2.874 1.00 0.00 N ATOM 1387 CA PRO A 85 -0.031 -13.283 -2.367 1.00 0.00 C ATOM 1388 C PRO A 85 -0.179 -11.785 -2.647 1.00 0.00 C ATOM 1389 O PRO A 85 -1.060 -11.359 -3.397 1.00 0.00 O ATOM 1390 CB PRO A 85 1.177 -13.841 -3.119 1.00 0.00 C ATOM 1391 CG PRO A 85 0.825 -15.261 -3.382 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.654 -15.269 -3.642 1.00 0.00 C ATOM 0 HA PRO A 85 0.035 -13.342 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.353 -13.297 -4.047 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.087 -13.761 -2.524 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.376 -15.649 -4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.076 -15.892 -2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.875 -15.171 -4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.116 -16.197 -3.304 1.00 0.00 H new ATOM 1400 N LEU A 86 0.704 -10.998 -2.028 1.00 0.00 N ATOM 1401 CA LEU A 86 0.713 -9.547 -2.179 1.00 0.00 C ATOM 1402 C LEU A 86 2.138 -9.034 -2.393 1.00 0.00 C ATOM 1403 O LEU A 86 3.108 -9.715 -2.053 1.00 0.00 O ATOM 1404 CB LEU A 86 0.110 -8.882 -0.937 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.210 -8.141 -1.161 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.379 -9.114 -1.141 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.396 -7.056 -0.108 1.00 0.00 C ATOM 0 H LEU A 86 1.432 -11.352 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 86 0.113 -9.293 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.048 -9.647 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.838 -8.178 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.178 -7.666 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.309 -8.569 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.250 -9.853 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.416 -9.618 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.339 -6.538 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.408 -7.509 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.574 -6.343 -0.171 1.00 0.00 H new ATOM 1419 N ASP A 87 2.255 -7.831 -2.950 1.00 0.00 N ATOM 1420 CA ASP A 87 3.559 -7.226 -3.206 1.00 0.00 C ATOM 1421 C ASP A 87 3.449 -5.702 -3.281 1.00 0.00 C ATOM 1422 O ASP A 87 2.717 -5.169 -4.113 1.00 0.00 O ATOM 1423 CB ASP A 87 4.148 -7.778 -4.507 1.00 0.00 C ATOM 1424 CG ASP A 87 5.595 -7.381 -4.702 1.00 0.00 C ATOM 1425 OD1 ASP A 87 5.845 -6.312 -5.300 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.482 -8.140 -4.257 1.00 0.00 O ATOM 0 H ASP A 87 1.462 -7.256 -3.233 1.00 0.00 H new ATOM 0 HA ASP A 87 4.222 -7.479 -2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.070 -8.865 -4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.559 -7.418 -5.350 1.00 0.00 H new ATOM 1431 N ILE A 88 4.178 -5.005 -2.407 1.00 0.00 N ATOM 1432 CA ILE A 88 4.146 -3.542 -2.383 1.00 0.00 C ATOM 1433 C ILE A 88 5.552 -2.959 -2.261 1.00 0.00 C ATOM 1434 O ILE A 88 6.281 -3.274 -1.321 1.00 0.00 O ATOM 1435 CB ILE A 88 3.282 -3.003 -1.219 1.00 0.00 C ATOM 1436 CG1 ILE A 88 1.954 -3.763 -1.128 1.00 0.00 C ATOM 1437 CG2 ILE A 88 3.033 -1.509 -1.390 1.00 0.00 C ATOM 1438 CD1 ILE A 88 1.986 -4.911 -0.143 1.00 0.00 C ATOM 0 H ILE A 88 4.793 -5.427 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 88 3.701 -3.230 -3.328 1.00 0.00 H new ATOM 0 HB ILE A 88 3.827 -3.160 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.165 -3.068 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.695 -4.147 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.424 -1.145 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.986 -0.980 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.511 -1.332 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.015 -5.405 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.752 -5.626 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.214 -4.530 0.852 1.00 0.00 H new ATOM 1450 N SER A 89 5.921 -2.098 -3.209 1.00 0.00 N ATOM 1451 CA SER A 89 7.234 -1.461 -3.194 1.00 0.00 C ATOM 1452 C SER A 89 7.086 0.057 -3.211 1.00 0.00 C ATOM 1453 O SER A 89 6.465 0.623 -4.112 1.00 0.00 O ATOM 1454 CB SER A 89 8.083 -1.939 -4.381 1.00 0.00 C ATOM 1455 OG SER A 89 7.982 -1.063 -5.490 1.00 0.00 O ATOM 0 H SER A 89 5.330 -1.827 -3.995 1.00 0.00 H new ATOM 0 HA SER A 89 7.747 -1.747 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.126 -2.016 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.763 -2.938 -4.677 1.00 0.00 H new ATOM 0 HG SER A 89 8.792 -0.514 -5.548 1.00 0.00 H new ATOM 1461 N VAL A 90 7.646 0.705 -2.200 1.00 0.00 N ATOM 1462 CA VAL A 90 7.571 2.154 -2.084 1.00 0.00 C ATOM 1463 C VAL A 90 8.916 2.798 -2.391 1.00 0.00 C ATOM 1464 O VAL A 90 9.872 2.646 -1.632 1.00 0.00 O ATOM 1465 CB VAL A 90 7.114 2.577 -0.673 1.00 0.00 C ATOM 1466 CG1 VAL A 90 6.825 4.071 -0.630 1.00 0.00 C ATOM 1467 CG2 VAL A 90 5.895 1.773 -0.245 1.00 0.00 C ATOM 0 H VAL A 90 8.159 0.248 -1.446 1.00 0.00 H new ATOM 0 HA VAL A 90 6.836 2.497 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 90 7.921 2.369 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.504 4.351 0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.728 4.624 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.036 4.310 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.586 2.084 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.080 1.946 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.145 0.712 -0.233 1.00 0.00 H new ATOM 1477 N PHE A 91 8.985 3.522 -3.508 1.00 0.00 N ATOM 1478 CA PHE A 91 10.218 4.194 -3.902 1.00 0.00 C ATOM 1479 C PHE A 91 10.141 5.689 -3.599 1.00 0.00 C ATOM 1480 O PHE A 91 9.051 6.253 -3.481 1.00 0.00 O ATOM 1481 CB PHE A 91 10.513 3.964 -5.387 1.00 0.00 C ATOM 1482 CG PHE A 91 11.204 2.659 -5.655 1.00 0.00 C ATOM 1483 CD1 PHE A 91 10.469 1.504 -5.872 1.00 0.00 C ATOM 1484 CD2 PHE A 91 12.588 2.585 -5.680 1.00 0.00 C ATOM 1485 CE1 PHE A 91 11.101 0.301 -6.112 1.00 0.00 C ATOM 1486 CE2 PHE A 91 13.225 1.382 -5.918 1.00 0.00 C ATOM 1487 CZ PHE A 91 12.482 0.239 -6.134 1.00 0.00 C ATOM 0 H PHE A 91 8.205 3.656 -4.151 1.00 0.00 H new ATOM 0 HA PHE A 91 11.035 3.767 -3.320 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.578 3.994 -5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.133 4.780 -5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 91 9.390 1.546 -5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 91 13.174 3.476 -5.512 1.00 0.00 H new ATOM 0 HE1 PHE A 91 10.517 -0.591 -6.283 1.00 0.00 H new ATOM 0 HE2 PHE A 91 14.304 1.336 -5.935 1.00 0.00 H new ATOM 0 HZ PHE A 91 12.978 -0.702 -6.320 1.00 0.00 H new ATOM 1497 N LEU A 92 11.306 6.319 -3.470 1.00 0.00 N ATOM 1498 CA LEU A 92 11.387 7.746 -3.169 1.00 0.00 C ATOM 1499 C LEU A 92 12.606 8.374 -3.855 1.00 0.00 C ATOM 1500 O LEU A 92 13.131 7.818 -4.822 1.00 0.00 O ATOM 1501 CB LEU A 92 11.447 7.954 -1.647 1.00 0.00 C ATOM 1502 CG LEU A 92 12.796 7.641 -0.987 1.00 0.00 C ATOM 1503 CD1 LEU A 92 12.708 7.833 0.517 1.00 0.00 C ATOM 1504 CD2 LEU A 92 13.246 6.225 -1.317 1.00 0.00 C ATOM 0 H LEU A 92 12.212 5.861 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 92 10.495 8.241 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.188 8.990 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.683 7.331 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 92 13.538 8.334 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.673 7.607 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.437 8.866 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.950 7.164 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.205 6.027 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.505 5.514 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.351 6.119 -2.397 1.00 0.00 H new ATOM 1516 N LEU A 93 13.049 9.535 -3.360 1.00 0.00 N ATOM 1517 CA LEU A 93 14.205 10.225 -3.936 1.00 0.00 C ATOM 1518 C LEU A 93 15.430 9.311 -3.966 1.00 0.00 C ATOM 1519 O LEU A 93 15.896 8.928 -5.040 1.00 0.00 O ATOM 1520 CB LEU A 93 14.526 11.504 -3.149 1.00 0.00 C ATOM 1521 CG LEU A 93 13.386 12.525 -3.059 1.00 0.00 C ATOM 1522 CD1 LEU A 93 13.554 13.409 -1.831 1.00 0.00 C ATOM 1523 CD2 LEU A 93 13.322 13.370 -4.324 1.00 0.00 C ATOM 0 H LEU A 93 12.626 10.014 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 93 13.950 10.498 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.820 11.224 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 93 15.388 11.987 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 93 12.446 11.981 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.735 14.127 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.545 12.791 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.502 13.943 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.507 14.089 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 93 14.264 13.903 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.150 12.724 -5.185 1.00 0.00 H new ATOM 1535 N GLU A 94 15.947 8.959 -2.786 1.00 0.00 N ATOM 1536 CA GLU A 94 17.117 8.086 -2.685 1.00 0.00 C ATOM 1537 C GLU A 94 17.445 7.802 -1.221 1.00 0.00 C ATOM 1538 O GLU A 94 18.607 7.827 -0.810 1.00 0.00 O ATOM 1539 CB GLU A 94 18.325 8.725 -3.386 1.00 0.00 C ATOM 1540 CG GLU A 94 19.125 7.746 -4.233 1.00 0.00 C ATOM 1541 CD GLU A 94 20.374 8.372 -4.828 1.00 0.00 C ATOM 1542 OE1 GLU A 94 21.189 8.924 -4.058 1.00 0.00 O ATOM 1543 OE2 GLU A 94 20.536 8.309 -6.065 1.00 0.00 O ATOM 0 H GLU A 94 15.573 9.266 -1.888 1.00 0.00 H new ATOM 0 HA GLU A 94 16.887 7.142 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.977 9.541 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.981 9.163 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.409 6.890 -3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.494 7.368 -5.038 1.00 0.00 H new ATOM 1550 N LYS A 95 16.402 7.541 -0.435 1.00 0.00 N ATOM 1551 CA LYS A 95 16.557 7.262 0.984 1.00 0.00 C ATOM 1552 C LYS A 95 16.233 5.802 1.294 1.00 0.00 C ATOM 1553 O LYS A 95 16.138 4.973 0.390 1.00 0.00 O ATOM 1554 CB LYS A 95 15.656 8.200 1.799 1.00 0.00 C ATOM 1555 CG LYS A 95 16.425 9.133 2.722 1.00 0.00 C ATOM 1556 CD LYS A 95 16.791 10.436 2.025 1.00 0.00 C ATOM 1557 CE LYS A 95 17.806 10.216 0.911 1.00 0.00 C ATOM 1558 NZ LYS A 95 18.624 11.433 0.646 1.00 0.00 N ATOM 0 H LYS A 95 15.437 7.518 -0.763 1.00 0.00 H new ATOM 0 HA LYS A 95 17.596 7.438 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.052 8.796 1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.966 7.601 2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 95 15.824 9.349 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.332 8.637 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.891 10.892 1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.198 11.136 2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 95 18.464 9.389 1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.285 9.925 -0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 19.301 11.237 -0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.000 12.216 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.143 11.697 1.508 1.00 0.00 H new ATOM 1572 N ALA A 96 16.063 5.496 2.580 1.00 0.00 N ATOM 1573 CA ALA A 96 15.749 4.136 3.020 1.00 0.00 C ATOM 1574 C ALA A 96 14.311 3.746 2.678 1.00 0.00 C ATOM 1575 O ALA A 96 13.950 2.569 2.753 1.00 0.00 O ATOM 1576 CB ALA A 96 15.977 3.997 4.517 1.00 0.00 C ATOM 0 H ALA A 96 16.138 6.174 3.338 1.00 0.00 H new ATOM 0 HA ALA A 96 16.417 3.460 2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.739 2.980 4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 96 17.020 4.212 4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.335 4.699 5.049 1.00 0.00 H new ATOM 1582 N GLY A 97 13.490 4.735 2.308 1.00 0.00 N ATOM 1583 CA GLY A 97 12.107 4.472 1.967 1.00 0.00 C ATOM 1584 C GLY A 97 11.952 3.461 0.843 1.00 0.00 C ATOM 1585 O GLY A 97 10.943 2.758 0.782 1.00 0.00 O ATOM 0 H GLY A 97 13.766 5.715 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.584 4.107 2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.627 5.406 1.676 1.00 0.00 H new ATOM 1589 N GLU A 98 12.953 3.381 -0.043 1.00 0.00 N ATOM 1590 CA GLU A 98 12.923 2.440 -1.164 1.00 0.00 C ATOM 1591 C GLU A 98 12.958 0.999 -0.658 1.00 0.00 C ATOM 1592 O GLU A 98 14.020 0.374 -0.586 1.00 0.00 O ATOM 1593 CB GLU A 98 14.093 2.702 -2.129 1.00 0.00 C ATOM 1594 CG GLU A 98 15.470 2.663 -1.467 1.00 0.00 C ATOM 1595 CD GLU A 98 16.413 1.650 -2.101 1.00 0.00 C ATOM 1596 OE1 GLU A 98 16.377 1.494 -3.340 1.00 0.00 O ATOM 1597 OE2 GLU A 98 17.192 1.019 -1.355 1.00 0.00 O ATOM 0 H GLU A 98 13.793 3.958 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 98 11.991 2.591 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.064 1.960 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.954 3.677 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.921 3.654 -1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.351 2.426 -0.410 1.00 0.00 H new ATOM 1604 N ARG A 99 11.789 0.479 -0.292 1.00 0.00 N ATOM 1605 CA ARG A 99 11.684 -0.882 0.220 1.00 0.00 C ATOM 1606 C ARG A 99 10.410 -1.568 -0.268 1.00 0.00 C ATOM 1607 O ARG A 99 9.421 -0.908 -0.594 1.00 0.00 O ATOM 1608 CB ARG A 99 11.725 -0.877 1.750 1.00 0.00 C ATOM 1609 CG ARG A 99 12.813 -1.766 2.330 1.00 0.00 C ATOM 1610 CD ARG A 99 13.233 -1.308 3.719 1.00 0.00 C ATOM 1611 NE ARG A 99 14.613 -0.823 3.743 1.00 0.00 N ATOM 1612 CZ ARG A 99 15.683 -1.610 3.610 1.00 0.00 C ATOM 1613 NH1 ARG A 99 15.540 -2.919 3.424 1.00 0.00 N ATOM 1614 NH2 ARG A 99 16.903 -1.084 3.659 1.00 0.00 N ATOM 0 H ARG A 99 10.902 0.981 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 99 12.535 -1.446 -0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.877 0.145 2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.758 -1.203 2.133 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.455 -2.794 2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.679 -1.761 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.565 -0.516 4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.127 -2.135 4.421 1.00 0.00 H new ATOM 0 HE ARG A 99 14.767 0.177 3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.607 -3.329 3.382 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.363 -3.513 3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.020 -0.080 3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.722 -1.684 3.558 1.00 0.00 H new ATOM 1628 N LYS A 100 10.445 -2.901 -0.304 1.00 0.00 N ATOM 1629 CA LYS A 100 9.300 -3.696 -0.740 1.00 0.00 C ATOM 1630 C LYS A 100 8.861 -4.658 0.364 1.00 0.00 C ATOM 1631 O LYS A 100 9.691 -5.162 1.122 1.00 0.00 O ATOM 1632 CB LYS A 100 9.651 -4.483 -2.003 1.00 0.00 C ATOM 1633 CG LYS A 100 8.437 -5.010 -2.754 1.00 0.00 C ATOM 1634 CD LYS A 100 8.844 -5.882 -3.931 1.00 0.00 C ATOM 1635 CE LYS A 100 9.324 -5.049 -5.109 1.00 0.00 C ATOM 1636 NZ LYS A 100 10.095 -5.861 -6.092 1.00 0.00 N ATOM 0 H LYS A 100 11.259 -3.453 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 100 8.477 -3.016 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.230 -3.844 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.291 -5.322 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.809 -5.585 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.837 -4.173 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.635 -6.565 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.997 -6.495 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.466 -4.597 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.948 -4.233 -4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.403 -5.254 -6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.928 -6.272 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.493 -6.625 -6.460 1.00 0.00 H new ATOM 1650 N ILE A 101 7.553 -4.908 0.452 1.00 0.00 N ATOM 1651 CA ILE A 101 7.011 -5.808 1.466 1.00 0.00 C ATOM 1652 C ILE A 101 5.916 -6.709 0.888 1.00 0.00 C ATOM 1653 O ILE A 101 4.852 -6.227 0.494 1.00 0.00 O ATOM 1654 CB ILE A 101 6.426 -5.028 2.666 1.00 0.00 C ATOM 1655 CG1 ILE A 101 7.408 -3.957 3.152 1.00 0.00 C ATOM 1656 CG2 ILE A 101 6.071 -5.985 3.797 1.00 0.00 C ATOM 1657 CD1 ILE A 101 7.295 -2.645 2.405 1.00 0.00 C ATOM 0 H ILE A 101 6.852 -4.500 -0.167 1.00 0.00 H new ATOM 0 HA ILE A 101 7.844 -6.422 1.807 1.00 0.00 H new ATOM 0 HB ILE A 101 5.516 -4.526 2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.239 -3.776 4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.425 -4.336 3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.660 -5.422 4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.331 -6.704 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.967 -6.515 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.020 -1.936 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.494 -2.811 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.289 -2.242 2.527 1.00 0.00 H new ATOM 1669 N PRO A 102 6.162 -8.033 0.836 1.00 0.00 N ATOM 1670 CA PRO A 102 5.200 -9.003 0.319 1.00 0.00 C ATOM 1671 C PRO A 102 4.252 -9.515 1.406 1.00 0.00 C ATOM 1672 O PRO A 102 4.584 -9.486 2.594 1.00 0.00 O ATOM 1673 CB PRO A 102 6.108 -10.124 -0.172 1.00 0.00 C ATOM 1674 CG PRO A 102 7.259 -10.117 0.780 1.00 0.00 C ATOM 1675 CD PRO A 102 7.404 -8.696 1.281 1.00 0.00 C ATOM 0 HA PRO A 102 4.546 -8.584 -0.446 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.593 -11.084 -0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.438 -9.948 -1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.080 -10.802 1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.172 -10.447 0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.507 -8.664 2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.287 -8.213 0.862 1.00 0.00 H new ATOM 1683 N HIS A 103 3.077 -9.982 0.991 1.00 0.00 N ATOM 1684 CA HIS A 103 2.078 -10.503 1.926 1.00 0.00 C ATOM 1685 C HIS A 103 1.388 -11.744 1.357 1.00 0.00 C ATOM 1686 O HIS A 103 1.584 -12.095 0.192 1.00 0.00 O ATOM 1687 CB HIS A 103 1.034 -9.422 2.244 1.00 0.00 C ATOM 1688 CG HIS A 103 1.365 -8.582 3.444 1.00 0.00 C ATOM 1689 ND1 HIS A 103 0.676 -7.434 3.773 1.00 0.00 N ATOM 1690 CD2 HIS A 103 2.316 -8.731 4.398 1.00 0.00 C ATOM 1691 CE1 HIS A 103 1.187 -6.916 4.875 1.00 0.00 C ATOM 1692 NE2 HIS A 103 2.186 -7.682 5.275 1.00 0.00 N ATOM 0 H HIS A 103 2.791 -10.011 0.012 1.00 0.00 H new ATOM 0 HA HIS A 103 2.591 -10.787 2.845 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.926 -8.771 1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.068 -9.901 2.405 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.042 -9.528 4.458 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.845 -6.017 5.367 1.00 0.00 H new ATOM 0 HE2 HIS A 103 2.765 -7.521 6.099 1.00 0.00 H new ATOM 1701 N ASP A 104 0.576 -12.405 2.183 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.147 -13.600 1.755 1.00 0.00 C ATOM 1703 C ASP A 104 -1.618 -13.495 2.148 1.00 0.00 C ATOM 1704 O ASP A 104 -1.943 -13.370 3.330 1.00 0.00 O ATOM 1705 CB ASP A 104 0.484 -14.858 2.364 1.00 0.00 C ATOM 1706 CG ASP A 104 1.521 -15.482 1.450 1.00 0.00 C ATOM 1707 OD1 ASP A 104 1.181 -15.781 0.286 1.00 0.00 O ATOM 1708 OD2 ASP A 104 2.671 -15.672 1.899 1.00 0.00 O ATOM 0 H ASP A 104 0.404 -12.132 3.151 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.081 -13.676 0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 104 0.949 -14.604 3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.297 -15.588 2.575 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.503 -13.524 1.151 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.939 -13.403 1.404 1.00 0.00 C ATOM 1715 C LEU A 105 -4.694 -14.695 1.078 1.00 0.00 C ATOM 1716 O LEU A 105 -5.221 -14.852 -0.021 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.518 -12.242 0.591 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.927 -11.810 0.997 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -5.867 -10.693 2.025 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.731 -11.380 -0.220 1.00 0.00 C ATOM 0 H LEU A 105 -2.253 -13.629 0.168 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.067 -13.208 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.851 -11.385 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.530 -12.525 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.430 -12.665 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.879 -10.399 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.335 -11.042 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.343 -9.836 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.730 -11.077 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.233 -10.542 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.807 -12.213 -0.919 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.764 -15.611 2.043 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.481 -16.872 1.841 1.00 0.00 C ATOM 1734 C ASN A 106 -5.737 -17.597 3.167 1.00 0.00 C ATOM 1735 O ASN A 106 -5.625 -18.822 3.244 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.709 -17.782 0.875 1.00 0.00 C ATOM 1737 CG ASN A 106 -5.612 -18.776 0.163 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -5.379 -19.984 0.205 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -6.652 -18.273 -0.497 1.00 0.00 N ATOM 0 H ASN A 106 -4.338 -15.507 2.964 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.449 -16.632 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.195 -17.168 0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.942 -18.324 1.427 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.291 -18.895 -0.992 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.810 -17.265 -0.508 1.00 0.00 H new ATOM 1746 N PHE A 107 -6.082 -16.837 4.211 1.00 0.00 N ATOM 1747 CA PHE A 107 -6.350 -17.421 5.526 1.00 0.00 C ATOM 1748 C PHE A 107 -7.511 -16.717 6.236 1.00 0.00 C ATOM 1749 O PHE A 107 -7.628 -15.490 6.188 1.00 0.00 O ATOM 1750 CB PHE A 107 -5.087 -17.362 6.395 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.974 -18.241 5.890 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -4.055 -19.620 6.006 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -2.851 -17.690 5.290 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -3.040 -20.431 5.539 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -1.831 -18.499 4.821 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.926 -19.870 4.944 1.00 0.00 C ATOM 0 H PHE A 107 -6.181 -15.823 4.171 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.638 -18.461 5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.734 -16.332 6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.341 -17.658 7.413 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.924 -20.066 6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.772 -16.618 5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.117 -21.504 5.639 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.961 -18.057 4.359 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.132 -20.503 4.576 1.00 0.00 H new ATOM 1766 N LEU A 108 -8.361 -17.509 6.904 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.507 -16.970 7.639 1.00 0.00 C ATOM 1768 C LEU A 108 -9.034 -16.047 8.757 1.00 0.00 C ATOM 1769 O LEU A 108 -8.190 -16.428 9.571 1.00 0.00 O ATOM 1770 CB LEU A 108 -10.369 -18.098 8.234 1.00 0.00 C ATOM 1771 CG LEU A 108 -10.558 -19.332 7.344 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -9.581 -20.431 7.732 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -11.992 -19.840 7.432 1.00 0.00 C ATOM 0 H LEU A 108 -8.274 -18.524 6.949 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.115 -16.404 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.919 -18.417 9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -11.352 -17.691 8.473 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.356 -19.042 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.733 -21.297 7.088 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.560 -20.067 7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.749 -20.717 8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.107 -20.716 6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.220 -20.110 8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.676 -19.058 7.102 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.577 -14.830 8.781 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.213 -13.829 9.785 1.00 0.00 C ATOM 1787 C GLN A 109 -7.749 -13.425 9.622 1.00 0.00 C ATOM 1788 O GLN A 109 -6.874 -13.892 10.352 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.469 -14.355 11.205 1.00 0.00 C ATOM 1790 CG GLN A 109 -10.927 -14.707 11.480 1.00 0.00 C ATOM 1791 CD GLN A 109 -11.095 -15.712 12.612 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -10.135 -16.050 13.307 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -12.319 -16.195 12.803 1.00 0.00 N ATOM 0 H GLN A 109 -10.277 -14.511 8.111 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.839 -12.950 9.633 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.854 -15.240 11.370 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -9.145 -13.603 11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -11.474 -13.797 11.726 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -11.374 -15.113 10.572 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -13.087 -15.889 12.205 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.490 -16.871 13.547 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.496 -12.558 8.644 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.148 -12.086 8.353 1.00 0.00 C ATOM 1804 C GLU A 110 -5.985 -10.625 8.745 1.00 0.00 C ATOM 1805 O GLU A 110 -6.855 -9.796 8.470 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.849 -12.256 6.867 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.427 -11.888 6.473 1.00 0.00 C ATOM 1808 CD GLU A 110 -4.145 -12.188 5.013 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -4.378 -13.345 4.591 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -3.702 -11.267 4.291 1.00 0.00 O ATOM 0 H GLU A 110 -8.215 -12.166 8.036 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.445 -12.680 8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.036 -13.293 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.544 -11.641 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.261 -10.828 6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.724 -12.438 7.098 1.00 0.00 H new ATOM 1817 N SER A 111 -4.855 -10.322 9.378 1.00 0.00 N ATOM 1818 CA SER A 111 -4.544 -8.966 9.810 1.00 0.00 C ATOM 1819 C SER A 111 -3.109 -8.609 9.427 1.00 0.00 C ATOM 1820 O SER A 111 -2.230 -8.501 10.286 1.00 0.00 O ATOM 1821 CB SER A 111 -4.739 -8.833 11.321 1.00 0.00 C ATOM 1822 OG SER A 111 -4.922 -7.478 11.696 1.00 0.00 O ATOM 0 H SER A 111 -4.134 -11.007 9.604 1.00 0.00 H new ATOM 0 HA SER A 111 -5.222 -8.274 9.310 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.604 -9.419 11.632 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.873 -9.243 11.840 1.00 0.00 H new ATOM 0 HG SER A 111 -5.046 -7.421 12.666 1.00 0.00 H new ATOM 1828 N TYR A 112 -2.882 -8.427 8.130 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.563 -8.084 7.625 1.00 0.00 C ATOM 1830 C TYR A 112 -1.555 -6.651 7.119 1.00 0.00 C ATOM 1831 O TYR A 112 -2.300 -6.301 6.204 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.149 -9.046 6.506 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.535 -10.338 7.002 1.00 0.00 C ATOM 1834 CD1 TYR A 112 0.415 -10.339 8.017 1.00 0.00 C ATOM 1835 CD2 TYR A 112 -0.905 -11.559 6.450 1.00 0.00 C ATOM 1836 CE1 TYR A 112 0.978 -11.517 8.466 1.00 0.00 C ATOM 1837 CE2 TYR A 112 -0.345 -12.742 6.894 1.00 0.00 C ATOM 1838 CZ TYR A 112 0.595 -12.715 7.902 1.00 0.00 C ATOM 1839 OH TYR A 112 1.156 -13.892 8.348 1.00 0.00 O ATOM 0 H TYR A 112 -3.599 -8.512 7.410 1.00 0.00 H new ATOM 0 HA TYR A 112 -0.844 -8.174 8.439 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.024 -9.281 5.900 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.435 -8.543 5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 112 0.718 -9.403 8.462 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.642 -11.584 5.661 1.00 0.00 H new ATOM 0 HE1 TYR A 112 1.715 -11.500 9.255 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -0.642 -13.682 6.454 1.00 0.00 H new ATOM 0 HH TYR A 112 0.777 -14.645 7.848 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.716 -5.827 7.731 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.619 -4.421 7.356 1.00 0.00 C ATOM 1851 C GLU A 113 0.756 -3.843 7.704 1.00 0.00 C ATOM 1852 O GLU A 113 1.262 -4.041 8.812 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.744 -3.629 8.037 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.484 -3.301 9.501 1.00 0.00 C ATOM 1855 CD GLU A 113 -2.751 -3.298 10.335 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -3.532 -2.329 10.228 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -2.964 -4.267 11.095 1.00 0.00 O ATOM 0 H GLU A 113 -0.093 -6.106 8.489 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.734 -4.339 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.899 -2.699 7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.670 -4.200 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.785 -4.028 9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.006 -2.324 9.571 1.00 0.00 H new ATOM 1864 N VAL A 114 1.358 -3.141 6.742 1.00 0.00 N ATOM 1865 CA VAL A 114 2.682 -2.541 6.931 1.00 0.00 C ATOM 1866 C VAL A 114 2.604 -1.019 7.019 1.00 0.00 C ATOM 1867 O VAL A 114 1.780 -0.388 6.352 1.00 0.00 O ATOM 1868 CB VAL A 114 3.644 -2.916 5.782 1.00 0.00 C ATOM 1869 CG1 VAL A 114 5.056 -2.426 6.078 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.640 -4.416 5.538 1.00 0.00 C ATOM 0 H VAL A 114 0.950 -2.973 5.822 1.00 0.00 H new ATOM 0 HA VAL A 114 3.064 -2.939 7.871 1.00 0.00 H new ATOM 0 HB VAL A 114 3.293 -2.423 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.716 -2.701 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 114 5.049 -1.342 6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.414 -2.884 7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.325 -4.654 4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.958 -4.933 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.634 -4.738 5.271 1.00 0.00 H new ATOM 1880 N GLU A 115 3.482 -0.436 7.838 1.00 0.00 N ATOM 1881 CA GLU A 115 3.532 1.013 8.011 1.00 0.00 C ATOM 1882 C GLU A 115 4.968 1.531 7.903 1.00 0.00 C ATOM 1883 O GLU A 115 5.787 1.313 8.798 1.00 0.00 O ATOM 1884 CB GLU A 115 2.943 1.407 9.369 1.00 0.00 C ATOM 1885 CG GLU A 115 1.468 1.059 9.522 1.00 0.00 C ATOM 1886 CD GLU A 115 1.189 0.124 10.688 1.00 0.00 C ATOM 1887 OE1 GLU A 115 1.875 0.239 11.726 1.00 0.00 O ATOM 1888 OE2 GLU A 115 0.275 -0.717 10.564 1.00 0.00 O ATOM 0 H GLU A 115 4.168 -0.948 8.392 1.00 0.00 H new ATOM 0 HA GLU A 115 2.940 1.465 7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.508 0.910 10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.071 2.480 9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.897 1.978 9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.114 0.596 8.601 1.00 0.00 H new ATOM 1895 N HIS A 116 5.261 2.225 6.803 1.00 0.00 N ATOM 1896 CA HIS A 116 6.594 2.790 6.576 1.00 0.00 C ATOM 1897 C HIS A 116 6.549 4.319 6.598 1.00 0.00 C ATOM 1898 O HIS A 116 5.522 4.920 6.279 1.00 0.00 O ATOM 1899 CB HIS A 116 7.163 2.301 5.242 1.00 0.00 C ATOM 1900 CG HIS A 116 8.486 1.611 5.373 1.00 0.00 C ATOM 1901 ND1 HIS A 116 8.707 0.559 6.235 1.00 0.00 N ATOM 1902 CD2 HIS A 116 9.664 1.834 4.745 1.00 0.00 C ATOM 1903 CE1 HIS A 116 9.964 0.164 6.133 1.00 0.00 C ATOM 1904 NE2 HIS A 116 10.567 0.923 5.235 1.00 0.00 N ATOM 0 H HIS A 116 4.594 2.410 6.054 1.00 0.00 H new ATOM 0 HA HIS A 116 7.245 2.452 7.382 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.450 1.618 4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.271 3.151 4.569 1.00 0.00 H new ATOM 0 HD1 HIS A 116 8.009 0.149 6.855 1.00 0.00 H new ATOM 0 HD2 HIS A 116 9.858 2.589 3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 116 10.421 -0.642 6.689 1.00 0.00 H new ATOM 1913 N VAL A 117 7.664 4.942 6.984 1.00 0.00 N ATOM 1914 CA VAL A 117 7.746 6.402 7.061 1.00 0.00 C ATOM 1915 C VAL A 117 8.938 6.949 6.270 1.00 0.00 C ATOM 1916 O VAL A 117 9.973 6.291 6.147 1.00 0.00 O ATOM 1917 CB VAL A 117 7.850 6.873 8.531 1.00 0.00 C ATOM 1918 CG1 VAL A 117 9.121 6.342 9.182 1.00 0.00 C ATOM 1919 CG2 VAL A 117 7.791 8.393 8.620 1.00 0.00 C ATOM 0 H VAL A 117 8.522 4.459 7.248 1.00 0.00 H new ATOM 0 HA VAL A 117 6.829 6.792 6.618 1.00 0.00 H new ATOM 0 HB VAL A 117 6.996 6.469 9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 117 9.172 6.686 10.215 1.00 0.00 H new ATOM 0 HG12 VAL A 117 9.112 5.252 9.163 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.990 6.707 8.635 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.866 8.700 9.663 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.618 8.823 8.055 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.847 8.745 8.205 1.00 0.00 H new ATOM 1929 N ILE A 118 8.778 8.166 5.742 1.00 0.00 N ATOM 1930 CA ILE A 118 9.825 8.828 4.966 1.00 0.00 C ATOM 1931 C ILE A 118 9.832 10.334 5.249 1.00 0.00 C ATOM 1932 O ILE A 118 8.905 11.049 4.862 1.00 0.00 O ATOM 1933 CB ILE A 118 9.632 8.603 3.449 1.00 0.00 C ATOM 1934 CG1 ILE A 118 9.423 7.116 3.144 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.822 9.146 2.671 1.00 0.00 C ATOM 1936 CD1 ILE A 118 9.144 6.829 1.684 1.00 0.00 C ATOM 0 H ILE A 118 7.924 8.715 5.841 1.00 0.00 H new ATOM 0 HA ILE A 118 10.777 8.391 5.268 1.00 0.00 H new ATOM 0 HB ILE A 118 8.740 9.145 3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 118 10.311 6.563 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.592 6.744 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.667 8.978 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.923 10.215 2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.730 8.634 2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 118 9.007 5.757 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.240 7.354 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.984 7.169 1.079 1.00 0.00 H new ATOM 1948 N GLN A 119 10.880 10.814 5.923 1.00 0.00 N ATOM 1949 CA GLN A 119 10.993 12.234 6.251 1.00 0.00 C ATOM 1950 C GLN A 119 12.356 12.789 5.847 1.00 0.00 C ATOM 1951 O GLN A 119 13.390 12.348 6.355 1.00 0.00 O ATOM 1952 CB GLN A 119 10.766 12.454 7.749 1.00 0.00 C ATOM 1953 CG GLN A 119 10.173 13.814 8.080 1.00 0.00 C ATOM 1954 CD GLN A 119 9.316 13.789 9.331 1.00 0.00 C ATOM 1955 OE1 GLN A 119 8.163 13.357 9.298 1.00 0.00 O ATOM 1956 NE2 GLN A 119 9.874 14.254 10.442 1.00 0.00 N ATOM 0 H GLN A 119 11.658 10.242 6.250 1.00 0.00 H new ATOM 0 HA GLN A 119 10.226 12.767 5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 119 10.102 11.676 8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 119 11.716 12.344 8.272 1.00 0.00 H new ATOM 0 HG2 GLN A 119 10.979 14.535 8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 119 9.571 14.158 7.239 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.832 14.602 10.424 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.344 14.263 11.314 1.00 0.00 H new ATOM 1965 N ILE A 120 12.351 13.764 4.938 1.00 0.00 N ATOM 1966 CA ILE A 120 13.590 14.388 4.470 1.00 0.00 C ATOM 1967 C ILE A 120 13.448 15.912 4.339 1.00 0.00 C ATOM 1968 O ILE A 120 13.819 16.492 3.316 1.00 0.00 O ATOM 1969 CB ILE A 120 14.043 13.790 3.115 1.00 0.00 C ATOM 1970 CG1 ILE A 120 12.895 13.817 2.097 1.00 0.00 C ATOM 1971 CG2 ILE A 120 14.556 12.370 3.308 1.00 0.00 C ATOM 1972 CD1 ILE A 120 13.075 14.852 1.009 1.00 0.00 C ATOM 0 H ILE A 120 11.504 14.139 4.511 1.00 0.00 H new ATOM 0 HA ILE A 120 14.349 14.177 5.223 1.00 0.00 H new ATOM 0 HB ILE A 120 14.856 14.402 2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.804 12.832 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 120 11.960 14.012 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 120 14.871 11.963 2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.404 12.379 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 120 13.762 11.749 3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 120 12.226 14.814 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 120 13.136 15.844 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 120 13.993 14.645 0.459 1.00 0.00 H new ATOM 1984 N PRO A 121 12.911 16.589 5.378 1.00 0.00 N ATOM 1985 CA PRO A 121 12.728 18.046 5.362 1.00 0.00 C ATOM 1986 C PRO A 121 14.035 18.813 5.592 1.00 0.00 C ATOM 1987 O PRO A 121 14.298 19.810 4.921 1.00 0.00 O ATOM 1988 CB PRO A 121 11.751 18.289 6.512 1.00 0.00 C ATOM 1989 CG PRO A 121 12.002 17.175 7.468 1.00 0.00 C ATOM 1990 CD PRO A 121 12.439 15.991 6.643 1.00 0.00 C ATOM 0 HA PRO A 121 12.370 18.398 4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 121 11.924 19.258 6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 121 10.719 18.284 6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 121 12.771 17.450 8.190 1.00 0.00 H new ATOM 0 HG3 PRO A 121 11.101 16.941 8.035 1.00 0.00 H new ATOM 0 HD2 PRO A 121 13.231 15.430 7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 121 11.615 15.297 6.473 1.00 0.00 H new