USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 739 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 78 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 43 ASN :FLIP amide:sc= -1.51 F(o=-3.2,f=-1.8) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= -0.299 USER MOD Set 3.1: A 29 CYS SG : rot 167:sc= 0.978 USER MOD Set 3.2: A 79 CYS SG : rot 105:sc= 1.65 USER MOD Set 4.1: A 24 MET CE :methyl -119:sc= 0 (180deg=0) USER MOD Set 4.2: A 65 ASN : amide:sc= -0.857 K(o=-0.86,f=-2.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 37:sc= 0.446 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 153:sc= -0.306 (180deg=-1.09) USER MOD Single : A 31 THR OG1 : rot 150:sc= 0 USER MOD Single : A 34 MET CE :methyl -168:sc= 0 (180deg=-0.149) USER MOD Single : A 35 SER OG : rot -109:sc= 1.21 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.0479 X(o=-0.048,f=-0.24) USER MOD Single : A 51 SER OG : rot -90:sc= 0.0171 USER MOD Single : A 53 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-5.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -5.4! C(o=-5.4!,f=-5.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 92:sc= -0.528 USER MOD Single : A 77 TYR OH : rot -29:sc= 0.248 USER MOD Single : A 80 MET CE :methyl -172:sc= -1.06 (180deg=-1.18) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -8.4! C(o=-8.4!,f=-9.1!) USER MOD Single : A 87 ASN : amide:sc= -2.12! C(o=-2.1!,f=-4.4!) USER MOD Single : A 88 SER OG : rot 15:sc= -1.06 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.818 F(o=-2.6!,f=-0.82) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.86! C(o=-1.9!,f=-7.5!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.339 0.977 -2.685 1.00 0.00 N ATOM 2 CA GLY A 1 30.652 2.229 -2.429 1.00 0.00 C ATOM 3 C GLY A 1 29.733 2.151 -1.227 1.00 0.00 C ATOM 4 O GLY A 1 28.833 1.312 -1.178 1.00 0.00 O ATOM 0 H1 GLY A 1 31.955 1.083 -3.516 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.915 0.722 -1.858 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.640 0.228 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.388 3.017 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.072 2.508 -3.309 1.00 0.00 H new ATOM 8 N SER A 2 29.959 3.027 -0.253 1.00 0.00 N ATOM 9 CA SER A 2 29.147 3.050 0.958 1.00 0.00 C ATOM 10 C SER A 2 28.346 4.345 1.051 1.00 0.00 C ATOM 11 O SER A 2 27.222 4.358 1.553 1.00 0.00 O ATOM 12 CB SER A 2 30.034 2.896 2.195 1.00 0.00 C ATOM 13 OG SER A 2 30.910 4.001 2.335 1.00 0.00 O ATOM 0 H SER A 2 30.698 3.730 -0.279 1.00 0.00 H new ATOM 0 HA SER A 2 28.449 2.214 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.411 2.807 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.613 1.976 2.119 1.00 0.00 H new ATOM 0 HG SER A 2 31.465 3.879 3.134 1.00 0.00 H new ATOM 19 N SER A 3 28.933 5.432 0.561 1.00 0.00 N ATOM 20 CA SER A 3 28.276 6.734 0.592 1.00 0.00 C ATOM 21 C SER A 3 27.238 6.845 -0.521 1.00 0.00 C ATOM 22 O SER A 3 27.307 6.134 -1.522 1.00 0.00 O ATOM 23 CB SER A 3 29.310 7.854 0.453 1.00 0.00 C ATOM 24 OG SER A 3 30.181 7.885 1.570 1.00 0.00 O ATOM 0 H SER A 3 29.861 5.437 0.138 1.00 0.00 H new ATOM 0 HA SER A 3 27.768 6.834 1.551 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.888 7.708 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.801 8.813 0.358 1.00 0.00 H new ATOM 0 HG SER A 3 30.833 8.608 1.456 1.00 0.00 H new ATOM 30 N GLY A 4 26.275 7.743 -0.336 1.00 0.00 N ATOM 31 CA GLY A 4 25.235 7.932 -1.330 1.00 0.00 C ATOM 32 C GLY A 4 23.852 7.635 -0.786 1.00 0.00 C ATOM 33 O GLY A 4 23.137 8.542 -0.362 1.00 0.00 O ATOM 0 H GLY A 4 26.197 8.343 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.266 8.959 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.432 7.285 -2.185 1.00 0.00 H new ATOM 37 N SER A 5 23.473 6.361 -0.800 1.00 0.00 N ATOM 38 CA SER A 5 22.164 5.947 -0.309 1.00 0.00 C ATOM 39 C SER A 5 21.049 6.626 -1.099 1.00 0.00 C ATOM 40 O SER A 5 20.089 7.139 -0.523 1.00 0.00 O ATOM 41 CB SER A 5 22.025 6.278 1.178 1.00 0.00 C ATOM 42 OG SER A 5 23.068 5.684 1.932 1.00 0.00 O ATOM 0 H SER A 5 24.054 5.598 -1.146 1.00 0.00 H new ATOM 0 HA SER A 5 22.077 4.869 -0.443 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.042 7.359 1.316 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.061 5.925 1.544 1.00 0.00 H new ATOM 0 HG SER A 5 22.958 5.912 2.879 1.00 0.00 H new ATOM 48 N SER A 6 21.183 6.625 -2.421 1.00 0.00 N ATOM 49 CA SER A 6 20.190 7.243 -3.291 1.00 0.00 C ATOM 50 C SER A 6 19.858 6.333 -4.470 1.00 0.00 C ATOM 51 O SER A 6 20.660 6.171 -5.389 1.00 0.00 O ATOM 52 CB SER A 6 20.697 8.593 -3.801 1.00 0.00 C ATOM 53 OG SER A 6 21.967 8.461 -4.417 1.00 0.00 O ATOM 0 H SER A 6 21.970 6.203 -2.913 1.00 0.00 H new ATOM 0 HA SER A 6 19.282 7.400 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.984 9.007 -4.515 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.763 9.297 -2.972 1.00 0.00 H new ATOM 0 HG SER A 6 22.005 7.615 -4.909 1.00 0.00 H new ATOM 59 N GLY A 7 18.668 5.741 -4.436 1.00 0.00 N ATOM 60 CA GLY A 7 18.250 4.854 -5.506 1.00 0.00 C ATOM 61 C GLY A 7 17.897 3.468 -5.006 1.00 0.00 C ATOM 62 O GLY A 7 18.630 2.502 -5.221 1.00 0.00 O ATOM 0 H GLY A 7 17.986 5.860 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.387 5.284 -6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.049 4.778 -6.244 1.00 0.00 H new ATOM 66 N PRO A 8 16.751 3.356 -4.319 1.00 0.00 N ATOM 67 CA PRO A 8 16.278 2.081 -3.771 1.00 0.00 C ATOM 68 C PRO A 8 15.833 1.111 -4.860 1.00 0.00 C ATOM 69 O PRO A 8 16.025 1.367 -6.049 1.00 0.00 O ATOM 70 CB PRO A 8 15.087 2.490 -2.900 1.00 0.00 C ATOM 71 CG PRO A 8 14.606 3.769 -3.493 1.00 0.00 C ATOM 72 CD PRO A 8 15.828 4.465 -4.024 1.00 0.00 C ATOM 0 HA PRO A 8 17.062 1.556 -3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.307 1.729 -2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.384 2.623 -1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.886 3.583 -4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.103 4.381 -2.745 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.602 5.048 -4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.248 5.154 -3.291 1.00 0.00 H new ATOM 80 N PHE A 9 15.239 -0.003 -4.447 1.00 0.00 N ATOM 81 CA PHE A 9 14.768 -1.012 -5.389 1.00 0.00 C ATOM 82 C PHE A 9 13.264 -0.886 -5.614 1.00 0.00 C ATOM 83 O PHE A 9 12.550 -1.887 -5.682 1.00 0.00 O ATOM 84 CB PHE A 9 15.102 -2.415 -4.876 1.00 0.00 C ATOM 85 CG PHE A 9 16.576 -2.668 -4.738 1.00 0.00 C ATOM 86 CD1 PHE A 9 17.279 -2.171 -3.653 1.00 0.00 C ATOM 87 CD2 PHE A 9 17.258 -3.403 -5.694 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.636 -2.401 -3.525 1.00 0.00 C ATOM 89 CE2 PHE A 9 18.615 -3.637 -5.571 1.00 0.00 C ATOM 90 CZ PHE A 9 19.304 -3.136 -4.484 1.00 0.00 C ATOM 0 H PHE A 9 15.072 -0.230 -3.467 1.00 0.00 H new ATOM 0 HA PHE A 9 15.275 -0.850 -6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.624 -2.562 -3.908 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.677 -3.153 -5.557 1.00 0.00 H new ATOM 0 HD1 PHE A 9 16.761 -1.597 -2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 9 16.723 -3.798 -6.545 1.00 0.00 H new ATOM 0 HE1 PHE A 9 19.173 -2.006 -2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 9 19.135 -4.211 -6.324 1.00 0.00 H new ATOM 0 HZ PHE A 9 20.364 -3.319 -4.384 1.00 0.00 H new ATOM 100 N ILE A 10 12.791 0.351 -5.729 1.00 0.00 N ATOM 101 CA ILE A 10 11.373 0.608 -5.947 1.00 0.00 C ATOM 102 C ILE A 10 11.155 1.468 -7.187 1.00 0.00 C ATOM 103 O ILE A 10 11.356 2.682 -7.156 1.00 0.00 O ATOM 104 CB ILE A 10 10.735 1.308 -4.733 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.858 0.428 -3.487 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.276 1.634 -5.016 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.820 1.207 -2.191 1.00 0.00 C ATOM 0 H ILE A 10 13.369 1.190 -5.675 1.00 0.00 H new ATOM 0 HA ILE A 10 10.895 -0.361 -6.090 1.00 0.00 H new ATOM 0 HB ILE A 10 11.267 2.242 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.049 -0.302 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.792 -0.131 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.839 2.128 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.212 2.294 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.731 0.713 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.912 0.519 -1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.645 1.919 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.875 1.745 -2.118 1.00 0.00 H new ATOM 119 N MET A 11 10.742 0.830 -8.278 1.00 0.00 N ATOM 120 CA MET A 11 10.494 1.538 -9.528 1.00 0.00 C ATOM 121 C MET A 11 9.608 2.758 -9.296 1.00 0.00 C ATOM 122 O MET A 11 9.945 3.868 -9.707 1.00 0.00 O ATOM 123 CB MET A 11 9.838 0.603 -10.546 1.00 0.00 C ATOM 124 CG MET A 11 10.735 -0.543 -10.985 1.00 0.00 C ATOM 125 SD MET A 11 11.889 -0.064 -12.284 1.00 0.00 S ATOM 126 CE MET A 11 12.777 -1.600 -12.533 1.00 0.00 C ATOM 0 H MET A 11 10.572 -0.175 -8.321 1.00 0.00 H new ATOM 0 HA MET A 11 11.452 1.877 -9.921 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.924 0.194 -10.115 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.546 1.181 -11.423 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.295 -0.911 -10.125 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.117 -1.368 -11.340 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.529 -1.464 -13.310 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.265 -1.893 -11.603 1.00 0.00 H new ATOM 0 HE3 MET A 11 12.078 -2.379 -12.837 1.00 0.00 H new ATOM 136 N ASP A 12 8.476 2.544 -8.636 1.00 0.00 N ATOM 137 CA ASP A 12 7.542 3.627 -8.349 1.00 0.00 C ATOM 138 C ASP A 12 7.072 3.569 -6.899 1.00 0.00 C ATOM 139 O ASP A 12 6.420 2.610 -6.485 1.00 0.00 O ATOM 140 CB ASP A 12 6.339 3.555 -9.291 1.00 0.00 C ATOM 141 CG ASP A 12 5.371 4.702 -9.081 1.00 0.00 C ATOM 142 OD1 ASP A 12 5.585 5.777 -9.680 1.00 0.00 O ATOM 143 OD2 ASP A 12 4.398 4.525 -8.319 1.00 0.00 O ATOM 0 H ASP A 12 8.182 1.631 -8.289 1.00 0.00 H new ATOM 0 HA ASP A 12 8.061 4.572 -8.507 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.689 3.563 -10.323 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.817 2.610 -9.138 1.00 0.00 H new ATOM 148 N ALA A 13 7.408 4.600 -6.131 1.00 0.00 N ATOM 149 CA ALA A 13 7.020 4.667 -4.728 1.00 0.00 C ATOM 150 C ALA A 13 5.648 5.313 -4.568 1.00 0.00 C ATOM 151 O ALA A 13 5.275 6.224 -5.306 1.00 0.00 O ATOM 152 CB ALA A 13 8.063 5.433 -3.927 1.00 0.00 C ATOM 0 H ALA A 13 7.949 5.401 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 13 6.960 3.648 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.760 5.475 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.026 4.928 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.152 6.446 -4.320 1.00 0.00 H new ATOM 158 N PRO A 14 4.878 4.831 -3.581 1.00 0.00 N ATOM 159 CA PRO A 14 3.535 5.347 -3.302 1.00 0.00 C ATOM 160 C PRO A 14 3.565 6.758 -2.722 1.00 0.00 C ATOM 161 O PRO A 14 4.565 7.179 -2.142 1.00 0.00 O ATOM 162 CB PRO A 14 2.981 4.358 -2.273 1.00 0.00 C ATOM 163 CG PRO A 14 4.187 3.789 -1.608 1.00 0.00 C ATOM 164 CD PRO A 14 5.259 3.745 -2.662 1.00 0.00 C ATOM 0 HA PRO A 14 2.932 5.424 -4.207 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.331 4.857 -1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.388 3.579 -2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.495 4.406 -0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.983 2.792 -1.217 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.249 3.908 -2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.285 2.780 -3.169 1.00 0.00 H new ATOM 172 N ARG A 15 2.462 7.482 -2.883 1.00 0.00 N ATOM 173 CA ARG A 15 2.363 8.845 -2.376 1.00 0.00 C ATOM 174 C ARG A 15 1.013 9.079 -1.704 1.00 0.00 C ATOM 175 O ARG A 15 0.001 8.505 -2.106 1.00 0.00 O ATOM 176 CB ARG A 15 2.560 9.850 -3.512 1.00 0.00 C ATOM 177 CG ARG A 15 2.762 11.279 -3.034 1.00 0.00 C ATOM 178 CD ARG A 15 2.799 12.256 -4.199 1.00 0.00 C ATOM 179 NE ARG A 15 3.526 13.478 -3.865 1.00 0.00 N ATOM 180 CZ ARG A 15 4.005 14.320 -4.774 1.00 0.00 C ATOM 181 NH1 ARG A 15 3.834 14.074 -6.065 1.00 0.00 N ATOM 182 NH2 ARG A 15 4.656 15.411 -4.392 1.00 0.00 N ATOM 0 H ARG A 15 1.625 7.147 -3.360 1.00 0.00 H new ATOM 0 HA ARG A 15 3.148 8.987 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.423 9.549 -4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.692 9.816 -4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.956 11.553 -2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.693 11.347 -2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.269 11.778 -5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.780 12.509 -4.493 1.00 0.00 H new ATOM 0 HE ARG A 15 3.674 13.697 -2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.334 13.237 -6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.203 14.722 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.789 15.604 -3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.023 16.057 -5.091 1.00 0.00 H new ATOM 196 N ASP A 16 1.006 9.924 -0.680 1.00 0.00 N ATOM 197 CA ASP A 16 -0.219 10.234 0.048 1.00 0.00 C ATOM 198 C ASP A 16 -1.420 10.253 -0.893 1.00 0.00 C ATOM 199 O ASP A 16 -1.389 10.894 -1.944 1.00 0.00 O ATOM 200 CB ASP A 16 -0.089 11.584 0.756 1.00 0.00 C ATOM 201 CG ASP A 16 -0.449 12.748 -0.147 1.00 0.00 C ATOM 202 OD1 ASP A 16 -1.652 13.069 -0.250 1.00 0.00 O ATOM 203 OD2 ASP A 16 0.471 13.338 -0.749 1.00 0.00 O ATOM 0 H ASP A 16 1.835 10.407 -0.335 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.376 9.455 0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.736 11.595 1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.934 11.707 1.113 1.00 0.00 H new ATOM 208 N LEU A 17 -2.476 9.544 -0.510 1.00 0.00 N ATOM 209 CA LEU A 17 -3.687 9.478 -1.319 1.00 0.00 C ATOM 210 C LEU A 17 -4.911 9.878 -0.502 1.00 0.00 C ATOM 211 O LEU A 17 -5.109 9.398 0.614 1.00 0.00 O ATOM 212 CB LEU A 17 -3.873 8.066 -1.880 1.00 0.00 C ATOM 213 CG LEU A 17 -5.262 7.740 -2.430 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.349 8.097 -3.906 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.589 6.270 -2.215 1.00 0.00 C ATOM 0 H LEU A 17 -2.518 9.007 0.356 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.580 10.180 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.144 7.914 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.639 7.350 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.996 8.338 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.345 7.858 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.159 9.163 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.606 7.526 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.581 6.056 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.851 5.654 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.569 6.045 -1.149 1.00 0.00 H new ATOM 227 N ASN A 18 -5.732 10.758 -1.066 1.00 0.00 N ATOM 228 CA ASN A 18 -6.938 11.222 -0.390 1.00 0.00 C ATOM 229 C ASN A 18 -8.187 10.642 -1.047 1.00 0.00 C ATOM 230 O ASN A 18 -8.519 10.985 -2.182 1.00 0.00 O ATOM 231 CB ASN A 18 -7.002 12.750 -0.408 1.00 0.00 C ATOM 232 CG ASN A 18 -6.670 13.327 -1.770 1.00 0.00 C ATOM 233 OD1 ASN A 18 -6.960 12.720 -2.801 1.00 0.00 O ATOM 234 ND2 ASN A 18 -6.058 14.506 -1.780 1.00 0.00 N ATOM 0 H ASN A 18 -5.584 11.164 -1.990 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.900 10.879 0.644 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.001 13.072 -0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.307 13.149 0.331 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.809 14.944 -2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.837 14.973 -0.901 1.00 0.00 H new ATOM 241 N ILE A 19 -8.873 9.762 -0.326 1.00 0.00 N ATOM 242 CA ILE A 19 -10.086 9.136 -0.838 1.00 0.00 C ATOM 243 C ILE A 19 -11.208 9.184 0.194 1.00 0.00 C ATOM 244 O ILE A 19 -10.955 9.221 1.399 1.00 0.00 O ATOM 245 CB ILE A 19 -9.836 7.670 -1.240 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.105 7.060 -1.839 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.370 6.863 -0.038 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.850 5.803 -2.641 1.00 0.00 C ATOM 0 H ILE A 19 -8.610 9.466 0.614 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.384 9.701 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.051 7.644 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.804 6.832 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.586 7.799 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.198 5.829 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.444 7.288 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.134 6.893 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.793 5.425 -3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.176 6.029 -3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.397 5.048 -1.999 1.00 0.00 H new ATOM 260 N SER A 20 -12.447 9.182 -0.286 1.00 0.00 N ATOM 261 CA SER A 20 -13.608 9.227 0.595 1.00 0.00 C ATOM 262 C SER A 20 -13.827 7.879 1.275 1.00 0.00 C ATOM 263 O SER A 20 -13.303 6.857 0.833 1.00 0.00 O ATOM 264 CB SER A 20 -14.858 9.621 -0.194 1.00 0.00 C ATOM 265 OG SER A 20 -14.869 11.011 -0.471 1.00 0.00 O ATOM 0 H SER A 20 -12.673 9.150 -1.280 1.00 0.00 H new ATOM 0 HA SER A 20 -13.420 9.976 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.894 9.061 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.749 9.353 0.373 1.00 0.00 H new ATOM 0 HG SER A 20 -15.677 11.237 -0.977 1.00 0.00 H new ATOM 271 N GLU A 21 -14.604 7.886 2.354 1.00 0.00 N ATOM 272 CA GLU A 21 -14.891 6.665 3.096 1.00 0.00 C ATOM 273 C GLU A 21 -15.859 5.773 2.323 1.00 0.00 C ATOM 274 O GLU A 21 -16.711 6.260 1.581 1.00 0.00 O ATOM 275 CB GLU A 21 -15.477 7.001 4.469 1.00 0.00 C ATOM 276 CG GLU A 21 -16.032 5.794 5.206 1.00 0.00 C ATOM 277 CD GLU A 21 -17.489 5.530 4.879 1.00 0.00 C ATOM 278 OE1 GLU A 21 -18.340 6.371 5.236 1.00 0.00 O ATOM 279 OE2 GLU A 21 -17.777 4.482 4.264 1.00 0.00 O ATOM 0 H GLU A 21 -15.045 8.724 2.733 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.954 6.125 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.704 7.466 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.271 7.737 4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.441 4.914 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.927 5.949 6.280 1.00 0.00 H new ATOM 286 N GLY A 22 -15.720 4.463 2.502 1.00 0.00 N ATOM 287 CA GLY A 22 -16.587 3.524 1.815 1.00 0.00 C ATOM 288 C GLY A 22 -16.371 3.527 0.315 1.00 0.00 C ATOM 289 O GLY A 22 -17.330 3.487 -0.457 1.00 0.00 O ATOM 0 H GLY A 22 -15.022 4.035 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.410 2.521 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.627 3.770 2.030 1.00 0.00 H new ATOM 293 N ARG A 23 -15.109 3.576 -0.100 1.00 0.00 N ATOM 294 CA ARG A 23 -14.771 3.587 -1.518 1.00 0.00 C ATOM 295 C ARG A 23 -13.533 2.737 -1.788 1.00 0.00 C ATOM 296 O ARG A 23 -12.810 2.365 -0.865 1.00 0.00 O ATOM 297 CB ARG A 23 -14.533 5.020 -1.996 1.00 0.00 C ATOM 298 CG ARG A 23 -15.733 5.934 -1.804 1.00 0.00 C ATOM 299 CD ARG A 23 -15.778 7.024 -2.862 1.00 0.00 C ATOM 300 NE ARG A 23 -16.907 7.931 -2.666 1.00 0.00 N ATOM 301 CZ ARG A 23 -17.423 8.681 -3.633 1.00 0.00 C ATOM 302 NH1 ARG A 23 -16.915 8.634 -4.857 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.450 9.481 -3.377 1.00 0.00 N ATOM 0 H ARG A 23 -14.304 3.609 0.526 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.610 3.162 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.681 5.436 -1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.266 5.002 -3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.650 5.346 -1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.691 6.388 -0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.848 7.592 -2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.847 6.568 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.321 7.991 -1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.125 8.020 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.314 9.211 -5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.844 9.520 -2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.846 10.057 -4.120 1.00 0.00 H new ATOM 317 N MET A 24 -13.296 2.434 -3.060 1.00 0.00 N ATOM 318 CA MET A 24 -12.145 1.628 -3.452 1.00 0.00 C ATOM 319 C MET A 24 -10.886 2.485 -3.537 1.00 0.00 C ATOM 320 O MET A 24 -10.875 3.525 -4.195 1.00 0.00 O ATOM 321 CB MET A 24 -12.406 0.949 -4.798 1.00 0.00 C ATOM 322 CG MET A 24 -11.687 -0.382 -4.956 1.00 0.00 C ATOM 323 SD MET A 24 -12.329 -1.359 -6.328 1.00 0.00 S ATOM 324 CE MET A 24 -11.600 -2.957 -5.976 1.00 0.00 C ATOM 0 H MET A 24 -13.885 2.734 -3.837 1.00 0.00 H new ATOM 0 HA MET A 24 -11.992 0.863 -2.691 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.478 0.790 -4.914 1.00 0.00 H new ATOM 0 HB3 MET A 24 -12.095 1.618 -5.600 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.624 -0.200 -5.111 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.781 -0.953 -4.033 1.00 0.00 H new ATOM 0 HE1 MET A 24 -10.953 -3.252 -6.802 1.00 0.00 H new ATOM 0 HE2 MET A 24 -11.013 -2.895 -5.059 1.00 0.00 H new ATOM 0 HE3 MET A 24 -12.390 -3.698 -5.852 1.00 0.00 H new ATOM 334 N ALA A 25 -9.828 2.041 -2.867 1.00 0.00 N ATOM 335 CA ALA A 25 -8.563 2.767 -2.868 1.00 0.00 C ATOM 336 C ALA A 25 -7.420 1.876 -3.342 1.00 0.00 C ATOM 337 O ALA A 25 -7.542 0.652 -3.360 1.00 0.00 O ATOM 338 CB ALA A 25 -8.267 3.315 -1.480 1.00 0.00 C ATOM 0 H ALA A 25 -9.821 1.182 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.652 3.601 -3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.320 3.854 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.066 3.993 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.203 2.491 -0.769 1.00 0.00 H new ATOM 344 N GLU A 26 -6.310 2.499 -3.726 1.00 0.00 N ATOM 345 CA GLU A 26 -5.146 1.761 -4.202 1.00 0.00 C ATOM 346 C GLU A 26 -3.866 2.563 -3.982 1.00 0.00 C ATOM 347 O GLU A 26 -3.878 3.794 -4.019 1.00 0.00 O ATOM 348 CB GLU A 26 -5.300 1.422 -5.686 1.00 0.00 C ATOM 349 CG GLU A 26 -6.587 0.682 -6.010 1.00 0.00 C ATOM 350 CD GLU A 26 -7.798 1.593 -6.019 1.00 0.00 C ATOM 351 OE1 GLU A 26 -7.643 2.782 -6.368 1.00 0.00 O ATOM 352 OE2 GLU A 26 -8.901 1.119 -5.676 1.00 0.00 O ATOM 0 H GLU A 26 -6.193 3.512 -3.717 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.077 0.835 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.265 2.344 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.452 0.814 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.491 0.203 -6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.739 -0.111 -5.278 1.00 0.00 H new ATOM 359 N LEU A 27 -2.765 1.857 -3.753 1.00 0.00 N ATOM 360 CA LEU A 27 -1.476 2.502 -3.526 1.00 0.00 C ATOM 361 C LEU A 27 -0.502 2.184 -4.657 1.00 0.00 C ATOM 362 O LEU A 27 -0.164 1.024 -4.892 1.00 0.00 O ATOM 363 CB LEU A 27 -0.886 2.052 -2.189 1.00 0.00 C ATOM 364 CG LEU A 27 -1.374 2.808 -0.952 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.354 1.903 0.269 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.522 4.046 -0.714 1.00 0.00 C ATOM 0 H LEU A 27 -2.738 0.838 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.636 3.580 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.108 0.993 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.199 2.146 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.402 3.126 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.704 2.458 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.006 1.047 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.337 1.554 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.883 4.572 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.516 3.750 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.587 4.705 -1.580 1.00 0.00 H new ATOM 378 N LYS A 28 -0.053 3.223 -5.353 1.00 0.00 N ATOM 379 CA LYS A 28 0.885 3.057 -6.457 1.00 0.00 C ATOM 380 C LYS A 28 2.218 2.505 -5.960 1.00 0.00 C ATOM 381 O LYS A 28 2.952 3.184 -5.241 1.00 0.00 O ATOM 382 CB LYS A 28 1.108 4.393 -7.169 1.00 0.00 C ATOM 383 CG LYS A 28 -0.083 4.849 -7.993 1.00 0.00 C ATOM 384 CD LYS A 28 -0.109 4.177 -9.356 1.00 0.00 C ATOM 385 CE LYS A 28 0.657 4.988 -10.391 1.00 0.00 C ATOM 386 NZ LYS A 28 2.122 4.728 -10.327 1.00 0.00 N ATOM 0 H LYS A 28 -0.324 4.190 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 28 0.456 2.344 -7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.339 5.157 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.978 4.307 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.005 4.623 -7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.045 5.931 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.324 3.180 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.142 4.052 -9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.288 4.745 -11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.469 6.050 -10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.546 4.899 -11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.557 5.363 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.287 3.740 -10.047 1.00 0.00 H new ATOM 400 N CYS A 29 2.524 1.273 -6.349 1.00 0.00 N ATOM 401 CA CYS A 29 3.769 0.630 -5.944 1.00 0.00 C ATOM 402 C CYS A 29 4.165 -0.462 -6.932 1.00 0.00 C ATOM 403 O CYS A 29 3.375 -1.358 -7.231 1.00 0.00 O ATOM 404 CB CYS A 29 3.629 0.039 -4.540 1.00 0.00 C ATOM 405 SG CYS A 29 5.025 -0.990 -4.030 1.00 0.00 S ATOM 0 H CYS A 29 1.927 0.699 -6.945 1.00 0.00 H new ATOM 0 HA CYS A 29 4.553 1.387 -5.935 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.511 0.853 -3.825 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.717 -0.557 -4.498 1.00 0.00 H new ATOM 0 HG CYS A 29 4.956 -1.212 -2.751 1.00 0.00 H new ATOM 411 N ARG A 30 5.391 -0.380 -7.437 1.00 0.00 N ATOM 412 CA ARG A 30 5.890 -1.360 -8.394 1.00 0.00 C ATOM 413 C ARG A 30 7.200 -1.975 -7.910 1.00 0.00 C ATOM 414 O ARG A 30 8.150 -1.263 -7.582 1.00 0.00 O ATOM 415 CB ARG A 30 6.096 -0.709 -9.763 1.00 0.00 C ATOM 416 CG ARG A 30 4.800 -0.290 -10.439 1.00 0.00 C ATOM 417 CD ARG A 30 5.064 0.581 -11.657 1.00 0.00 C ATOM 418 NE ARG A 30 3.832 1.139 -12.208 1.00 0.00 N ATOM 419 CZ ARG A 30 2.993 0.453 -12.976 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.252 -0.811 -13.282 1.00 0.00 N ATOM 421 NH2 ARG A 30 1.892 1.030 -13.439 1.00 0.00 N ATOM 0 H ARG A 30 6.057 0.355 -7.200 1.00 0.00 H new ATOM 0 HA ARG A 30 5.147 -2.153 -8.484 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.735 0.166 -9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.625 -1.407 -10.412 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.241 -1.177 -10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.177 0.254 -9.729 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.739 1.392 -11.383 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.569 -0.009 -12.422 1.00 0.00 H new ATOM 0 HE ARG A 30 3.603 2.109 -11.991 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.097 -1.259 -12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.606 -1.336 -13.872 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.689 2.002 -13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.249 0.502 -14.029 1.00 0.00 H new ATOM 435 N THR A 31 7.244 -3.303 -7.866 1.00 0.00 N ATOM 436 CA THR A 31 8.435 -4.014 -7.420 1.00 0.00 C ATOM 437 C THR A 31 8.949 -4.958 -8.502 1.00 0.00 C ATOM 438 O THR A 31 8.185 -5.502 -9.299 1.00 0.00 O ATOM 439 CB THR A 31 8.161 -4.822 -6.138 1.00 0.00 C ATOM 440 OG1 THR A 31 7.116 -5.774 -6.373 1.00 0.00 O ATOM 441 CG2 THR A 31 7.767 -3.902 -4.992 1.00 0.00 C ATOM 0 H THR A 31 6.468 -3.908 -8.134 1.00 0.00 H new ATOM 0 HA THR A 31 9.193 -3.259 -7.209 1.00 0.00 H new ATOM 0 HB THR A 31 9.076 -5.347 -5.863 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.253 -6.558 -5.801 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.578 -4.495 -4.097 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.575 -3.198 -4.796 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.864 -3.353 -5.260 1.00 0.00 H new ATOM 449 N PRO A 32 10.275 -5.159 -8.531 1.00 0.00 N ATOM 450 CA PRO A 32 10.920 -6.039 -9.510 1.00 0.00 C ATOM 451 C PRO A 32 10.604 -7.510 -9.265 1.00 0.00 C ATOM 452 O PRO A 32 10.035 -7.885 -8.239 1.00 0.00 O ATOM 453 CB PRO A 32 12.413 -5.770 -9.299 1.00 0.00 C ATOM 454 CG PRO A 32 12.517 -5.298 -7.890 1.00 0.00 C ATOM 455 CD PRO A 32 11.246 -4.543 -7.611 1.00 0.00 C ATOM 0 HA PRO A 32 10.576 -5.840 -10.525 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.004 -6.672 -9.459 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.782 -5.018 -9.997 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.630 -6.138 -7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.389 -4.657 -7.756 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.937 -4.647 -6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.362 -3.476 -7.804 1.00 0.00 H new ATOM 463 N PRO A 33 10.981 -8.366 -10.226 1.00 0.00 N ATOM 464 CA PRO A 33 10.748 -9.811 -10.136 1.00 0.00 C ATOM 465 C PRO A 33 11.616 -10.472 -9.071 1.00 0.00 C ATOM 466 O PRO A 33 12.733 -10.030 -8.804 1.00 0.00 O ATOM 467 CB PRO A 33 11.131 -10.319 -11.528 1.00 0.00 C ATOM 468 CG PRO A 33 12.097 -9.311 -12.048 1.00 0.00 C ATOM 469 CD PRO A 33 11.664 -7.990 -11.475 1.00 0.00 C ATOM 0 HA PRO A 33 9.722 -10.042 -9.850 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.582 -11.310 -11.477 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.257 -10.399 -12.174 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.115 -9.553 -11.744 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.087 -9.286 -13.138 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.515 -7.336 -11.286 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.997 -7.457 -12.153 1.00 0.00 H new ATOM 477 N MET A 34 11.094 -11.534 -8.464 1.00 0.00 N ATOM 478 CA MET A 34 11.823 -12.257 -7.429 1.00 0.00 C ATOM 479 C MET A 34 12.038 -11.378 -6.201 1.00 0.00 C ATOM 480 O MET A 34 13.082 -11.446 -5.552 1.00 0.00 O ATOM 481 CB MET A 34 13.171 -12.740 -7.967 1.00 0.00 C ATOM 482 CG MET A 34 13.053 -13.622 -9.199 1.00 0.00 C ATOM 483 SD MET A 34 14.387 -14.830 -9.319 1.00 0.00 S ATOM 484 CE MET A 34 15.820 -13.755 -9.294 1.00 0.00 C ATOM 0 H MET A 34 10.170 -11.912 -8.671 1.00 0.00 H new ATOM 0 HA MET A 34 11.227 -13.121 -7.136 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.788 -11.874 -8.208 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.689 -13.292 -7.183 1.00 0.00 H new ATOM 0 HG2 MET A 34 12.096 -14.144 -9.177 1.00 0.00 H new ATOM 0 HG3 MET A 34 13.054 -12.996 -10.091 1.00 0.00 H new ATOM 0 HE1 MET A 34 16.707 -14.324 -9.573 1.00 0.00 H new ATOM 0 HE2 MET A 34 15.675 -12.939 -10.002 1.00 0.00 H new ATOM 0 HE3 MET A 34 15.951 -13.347 -8.292 1.00 0.00 H new ATOM 494 N SER A 35 11.043 -10.554 -5.887 1.00 0.00 N ATOM 495 CA SER A 35 11.125 -9.659 -4.739 1.00 0.00 C ATOM 496 C SER A 35 9.971 -9.908 -3.772 1.00 0.00 C ATOM 497 O SER A 35 8.915 -10.405 -4.164 1.00 0.00 O ATOM 498 CB SER A 35 11.113 -8.200 -5.200 1.00 0.00 C ATOM 499 OG SER A 35 9.802 -7.784 -5.541 1.00 0.00 O ATOM 0 H SER A 35 10.171 -10.488 -6.412 1.00 0.00 H new ATOM 0 HA SER A 35 12.062 -9.861 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.506 -7.562 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.771 -8.082 -6.061 1.00 0.00 H new ATOM 0 HG SER A 35 9.737 -7.670 -6.512 1.00 0.00 H new ATOM 505 N SER A 36 10.181 -9.557 -2.507 1.00 0.00 N ATOM 506 CA SER A 36 9.160 -9.746 -1.483 1.00 0.00 C ATOM 507 C SER A 36 8.296 -8.496 -1.341 1.00 0.00 C ATOM 508 O SER A 36 8.808 -7.383 -1.222 1.00 0.00 O ATOM 509 CB SER A 36 9.811 -10.084 -0.140 1.00 0.00 C ATOM 510 OG SER A 36 8.944 -10.864 0.665 1.00 0.00 O ATOM 0 H SER A 36 11.048 -9.141 -2.167 1.00 0.00 H new ATOM 0 HA SER A 36 8.522 -10.575 -1.789 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.741 -10.626 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.070 -9.164 0.384 1.00 0.00 H new ATOM 0 HG SER A 36 9.384 -11.068 1.517 1.00 0.00 H new ATOM 516 N VAL A 37 6.981 -8.689 -1.355 1.00 0.00 N ATOM 517 CA VAL A 37 6.044 -7.580 -1.227 1.00 0.00 C ATOM 518 C VAL A 37 5.281 -7.654 0.091 1.00 0.00 C ATOM 519 O VAL A 37 4.682 -8.678 0.418 1.00 0.00 O ATOM 520 CB VAL A 37 5.035 -7.560 -2.391 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.045 -6.417 -2.220 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.761 -7.453 -3.723 1.00 0.00 C ATOM 0 H VAL A 37 6.541 -9.604 -1.454 1.00 0.00 H new ATOM 0 HA VAL A 37 6.634 -6.664 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 37 4.477 -8.496 -2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.340 -6.419 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.502 -6.543 -1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.583 -5.469 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.033 -7.440 -4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.346 -6.533 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.425 -8.309 -3.845 1.00 0.00 H new ATOM 532 N LYS A 38 5.307 -6.560 0.846 1.00 0.00 N ATOM 533 CA LYS A 38 4.617 -6.498 2.128 1.00 0.00 C ATOM 534 C LYS A 38 4.144 -5.079 2.424 1.00 0.00 C ATOM 535 O LYS A 38 4.678 -4.111 1.881 1.00 0.00 O ATOM 536 CB LYS A 38 5.538 -6.984 3.250 1.00 0.00 C ATOM 537 CG LYS A 38 5.516 -8.490 3.446 1.00 0.00 C ATOM 538 CD LYS A 38 5.831 -8.871 4.883 1.00 0.00 C ATOM 539 CE LYS A 38 7.324 -9.073 5.091 1.00 0.00 C ATOM 540 NZ LYS A 38 7.734 -10.481 4.837 1.00 0.00 N ATOM 0 H LYS A 38 5.799 -5.704 0.591 1.00 0.00 H new ATOM 0 HA LYS A 38 3.744 -7.149 2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.559 -6.669 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.247 -6.500 4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.535 -8.879 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.241 -8.955 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.471 -8.092 5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.299 -9.786 5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.876 -8.409 4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.589 -8.796 6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.758 -10.577 4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.226 -11.113 5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.504 -10.738 3.856 1.00 0.00 H new ATOM 554 N TRP A 39 3.143 -4.962 3.288 1.00 0.00 N ATOM 555 CA TRP A 39 2.599 -3.659 3.657 1.00 0.00 C ATOM 556 C TRP A 39 2.300 -3.597 5.151 1.00 0.00 C ATOM 557 O TRP A 39 1.543 -4.414 5.676 1.00 0.00 O ATOM 558 CB TRP A 39 1.329 -3.369 2.857 1.00 0.00 C ATOM 559 CG TRP A 39 1.596 -3.019 1.424 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.773 -3.890 0.387 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.718 -1.704 0.872 1.00 0.00 C ATOM 562 NE1 TRP A 39 1.997 -3.195 -0.777 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.968 -1.852 -0.506 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.638 -0.415 1.407 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.140 -0.761 -1.354 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.809 0.667 0.565 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.057 0.489 -0.803 1.00 0.00 C ATOM 0 H TRP A 39 2.691 -5.753 3.747 1.00 0.00 H new ATOM 0 HA TRP A 39 3.347 -2.901 3.424 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.677 -4.242 2.895 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.790 -2.548 3.330 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.742 -4.966 0.470 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.159 -3.611 -1.694 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.446 -0.268 2.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.332 -0.896 -2.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.751 1.667 0.968 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.185 1.355 -1.435 1.00 0.00 H new ATOM 578 N LEU A 40 2.898 -2.624 5.829 1.00 0.00 N ATOM 579 CA LEU A 40 2.694 -2.456 7.264 1.00 0.00 C ATOM 580 C LEU A 40 1.619 -1.410 7.543 1.00 0.00 C ATOM 581 O LEU A 40 1.592 -0.350 6.916 1.00 0.00 O ATOM 582 CB LEU A 40 4.005 -2.050 7.941 1.00 0.00 C ATOM 583 CG LEU A 40 4.047 -2.193 9.463 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.477 -2.388 9.941 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.420 -0.978 10.130 1.00 0.00 C ATOM 0 H LEU A 40 3.527 -1.940 5.409 1.00 0.00 H new ATOM 0 HA LEU A 40 2.361 -3.410 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.810 -2.650 7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.215 -1.011 7.688 1.00 0.00 H new ATOM 0 HG LEU A 40 3.469 -3.074 9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.487 -2.488 11.026 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.892 -3.289 9.490 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.078 -1.527 9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.459 -1.097 11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.970 -0.081 9.844 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.382 -0.884 9.812 1.00 0.00 H new ATOM 597 N LEU A 41 0.737 -1.714 8.488 1.00 0.00 N ATOM 598 CA LEU A 41 -0.340 -0.798 8.852 1.00 0.00 C ATOM 599 C LEU A 41 0.085 0.112 9.999 1.00 0.00 C ATOM 600 O LEU A 41 0.918 -0.245 10.832 1.00 0.00 O ATOM 601 CB LEU A 41 -1.592 -1.584 9.245 1.00 0.00 C ATOM 602 CG LEU A 41 -2.101 -2.595 8.216 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.312 -1.924 6.868 1.00 0.00 C ATOM 604 CD2 LEU A 41 -1.130 -3.760 8.089 1.00 0.00 C ATOM 0 H LEU A 41 0.745 -2.587 9.016 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.566 -0.177 7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.387 -2.114 10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.392 -0.874 9.453 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.060 -2.983 8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.674 -2.659 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.045 -1.124 6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.368 -1.508 6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.508 -4.470 7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.156 -3.389 7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.030 -4.257 9.054 1.00 0.00 H new ATOM 616 N PRO A 42 -0.503 1.317 10.047 1.00 0.00 N ATOM 617 CA PRO A 42 -0.203 2.303 11.090 1.00 0.00 C ATOM 618 C PRO A 42 -0.734 1.882 12.456 1.00 0.00 C ATOM 619 O PRO A 42 -0.618 2.621 13.432 1.00 0.00 O ATOM 620 CB PRO A 42 -0.921 3.564 10.603 1.00 0.00 C ATOM 621 CG PRO A 42 -2.026 3.061 9.738 1.00 0.00 C ATOM 622 CD PRO A 42 -1.505 1.810 9.087 1.00 0.00 C ATOM 0 HA PRO A 42 0.870 2.434 11.230 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.307 4.148 11.439 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.246 4.213 10.045 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.919 2.852 10.327 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.305 3.803 8.990 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.299 1.081 8.925 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.060 2.019 8.114 1.00 0.00 H new ATOM 630 N ASN A 43 -1.316 0.688 12.517 1.00 0.00 N ATOM 631 CA ASN A 43 -1.865 0.169 13.764 1.00 0.00 C ATOM 632 C ASN A 43 -0.861 -0.744 14.461 1.00 0.00 C ATOM 633 O ASN A 43 -0.758 -0.749 15.687 1.00 0.00 O ATOM 634 CB ASN A 43 -3.164 -0.594 13.495 1.00 0.00 C ATOM 635 CG ASN A 43 -2.922 -2.062 13.199 1.00 0.00 C ATOM 636 OD1 ASN A 43 -2.865 -2.405 11.918 1.00 0.00 O flip ATOM 637 ND2 ASN A 43 -2.788 -2.876 14.113 1.00 0.00 N flip ATOM 0 H ASN A 43 -1.419 0.063 11.718 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.077 1.014 14.419 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.821 -0.504 14.360 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.683 -0.137 12.652 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.839 -2.566 15.083 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.626 -3.860 13.900 1.00 0.00 H new ATOM 644 N GLY A 44 -0.122 -1.516 13.670 1.00 0.00 N ATOM 645 CA GLY A 44 0.864 -2.422 14.229 1.00 0.00 C ATOM 646 C GLY A 44 0.766 -3.818 13.646 1.00 0.00 C ATOM 647 O GLY A 44 0.715 -4.805 14.381 1.00 0.00 O ATOM 0 H GLY A 44 -0.189 -1.530 12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.862 -2.025 14.046 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.734 -2.473 15.310 1.00 0.00 H new ATOM 651 N THR A 45 0.736 -3.903 12.319 1.00 0.00 N ATOM 652 CA THR A 45 0.640 -5.187 11.638 1.00 0.00 C ATOM 653 C THR A 45 1.193 -5.100 10.220 1.00 0.00 C ATOM 654 O THR A 45 1.499 -4.013 9.728 1.00 0.00 O ATOM 655 CB THR A 45 -0.816 -5.684 11.578 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.466 -5.449 12.833 1.00 0.00 O ATOM 657 CG2 THR A 45 -0.869 -7.167 11.244 1.00 0.00 C ATOM 0 H THR A 45 0.777 -3.097 11.695 1.00 0.00 H new ATOM 0 HA THR A 45 1.235 -5.895 12.215 1.00 0.00 H new ATOM 0 HB THR A 45 -1.332 -5.132 10.792 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.392 -5.766 12.786 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.908 -7.495 11.207 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.400 -7.339 10.275 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.337 -7.732 12.010 1.00 0.00 H new ATOM 665 N VAL A 46 1.319 -6.250 9.566 1.00 0.00 N ATOM 666 CA VAL A 46 1.834 -6.303 8.203 1.00 0.00 C ATOM 667 C VAL A 46 1.204 -7.452 7.422 1.00 0.00 C ATOM 668 O VAL A 46 1.021 -8.549 7.951 1.00 0.00 O ATOM 669 CB VAL A 46 3.365 -6.465 8.188 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.879 -6.554 6.759 1.00 0.00 C ATOM 671 CG2 VAL A 46 4.029 -5.316 8.931 1.00 0.00 C ATOM 0 H VAL A 46 1.071 -7.158 9.958 1.00 0.00 H new ATOM 0 HA VAL A 46 1.572 -5.358 7.728 1.00 0.00 H new ATOM 0 HB VAL A 46 3.620 -7.394 8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.963 -6.668 6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.428 -7.413 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.615 -5.644 6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.111 -5.446 8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.768 -4.373 8.451 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.684 -5.304 9.965 1.00 0.00 H new ATOM 681 N LEU A 47 0.876 -7.192 6.162 1.00 0.00 N ATOM 682 CA LEU A 47 0.267 -8.205 5.306 1.00 0.00 C ATOM 683 C LEU A 47 1.216 -8.612 4.184 1.00 0.00 C ATOM 684 O LEU A 47 2.172 -7.900 3.877 1.00 0.00 O ATOM 685 CB LEU A 47 -1.044 -7.681 4.716 1.00 0.00 C ATOM 686 CG LEU A 47 -2.158 -7.380 5.718 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.322 -6.684 5.029 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.626 -8.659 6.396 1.00 0.00 C ATOM 0 H LEU A 47 1.021 -6.289 5.710 1.00 0.00 H new ATOM 0 HA LEU A 47 0.058 -9.084 5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.829 -6.770 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.415 -8.414 4.000 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.762 -6.711 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.106 -6.478 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.978 -5.747 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.718 -7.328 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.419 -8.425 7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.004 -9.352 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.790 -9.118 6.924 1.00 0.00 H new ATOM 700 N SER A 48 0.944 -9.761 3.573 1.00 0.00 N ATOM 701 CA SER A 48 1.775 -10.264 2.486 1.00 0.00 C ATOM 702 C SER A 48 0.971 -11.178 1.566 1.00 0.00 C ATOM 703 O SER A 48 -0.154 -11.563 1.883 1.00 0.00 O ATOM 704 CB SER A 48 2.983 -11.019 3.046 1.00 0.00 C ATOM 705 OG SER A 48 2.593 -12.263 3.602 1.00 0.00 O ATOM 0 H SER A 48 0.155 -10.361 3.813 1.00 0.00 H new ATOM 0 HA SER A 48 2.126 -9.411 1.905 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.712 -11.184 2.253 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.473 -10.414 3.809 1.00 0.00 H new ATOM 0 HG SER A 48 3.382 -12.727 3.951 1.00 0.00 H new ATOM 711 N HIS A 49 1.558 -11.521 0.423 1.00 0.00 N ATOM 712 CA HIS A 49 0.897 -12.390 -0.544 1.00 0.00 C ATOM 713 C HIS A 49 0.145 -13.514 0.161 1.00 0.00 C ATOM 714 O HIS A 49 -0.934 -13.919 -0.272 1.00 0.00 O ATOM 715 CB HIS A 49 1.921 -12.977 -1.516 1.00 0.00 C ATOM 716 CG HIS A 49 1.337 -13.360 -2.841 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.540 -12.517 -3.585 1.00 0.00 N ATOM 718 CD2 HIS A 49 1.441 -14.505 -3.556 1.00 0.00 C ATOM 719 CE1 HIS A 49 0.176 -13.126 -4.699 1.00 0.00 C ATOM 720 NE2 HIS A 49 0.710 -14.334 -4.706 1.00 0.00 N ATOM 0 H HIS A 49 2.489 -11.211 0.144 1.00 0.00 H new ATOM 0 HA HIS A 49 0.178 -11.791 -1.103 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.717 -12.250 -1.675 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.379 -13.856 -1.062 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.995 -15.388 -3.275 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.451 -12.708 -5.472 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.598 -15.027 -5.446 1.00 0.00 H new ATOM 729 N ALA A 50 0.722 -14.016 1.248 1.00 0.00 N ATOM 730 CA ALA A 50 0.105 -15.092 2.013 1.00 0.00 C ATOM 731 C ALA A 50 -1.217 -14.643 2.625 1.00 0.00 C ATOM 732 O ALA A 50 -2.240 -15.311 2.476 1.00 0.00 O ATOM 733 CB ALA A 50 1.054 -15.578 3.099 1.00 0.00 C ATOM 0 H ALA A 50 1.616 -13.694 1.618 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.103 -15.917 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.581 -16.382 3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.972 -15.947 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.290 -14.753 3.771 1.00 0.00 H new ATOM 739 N SER A 51 -1.189 -13.507 3.315 1.00 0.00 N ATOM 740 CA SER A 51 -2.385 -12.971 3.954 1.00 0.00 C ATOM 741 C SER A 51 -3.605 -13.144 3.055 1.00 0.00 C ATOM 742 O SER A 51 -3.476 -13.352 1.848 1.00 0.00 O ATOM 743 CB SER A 51 -2.190 -11.491 4.289 1.00 0.00 C ATOM 744 OG SER A 51 -1.286 -11.327 5.367 1.00 0.00 O ATOM 0 H SER A 51 -0.351 -12.940 3.446 1.00 0.00 H new ATOM 0 HA SER A 51 -2.554 -13.526 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.815 -10.963 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.150 -11.043 4.544 1.00 0.00 H new ATOM 0 HG SER A 51 -1.781 -11.330 6.213 1.00 0.00 H new ATOM 750 N ARG A 52 -4.790 -13.057 3.651 1.00 0.00 N ATOM 751 CA ARG A 52 -6.034 -13.206 2.906 1.00 0.00 C ATOM 752 C ARG A 52 -6.986 -12.050 3.201 1.00 0.00 C ATOM 753 O ARG A 52 -8.201 -12.180 3.055 1.00 0.00 O ATOM 754 CB ARG A 52 -6.706 -14.536 3.253 1.00 0.00 C ATOM 755 CG ARG A 52 -7.180 -14.620 4.694 1.00 0.00 C ATOM 756 CD ARG A 52 -6.101 -15.185 5.604 1.00 0.00 C ATOM 757 NE ARG A 52 -6.589 -15.402 6.963 1.00 0.00 N ATOM 758 CZ ARG A 52 -5.811 -15.782 7.971 1.00 0.00 C ATOM 759 NH1 ARG A 52 -4.516 -15.985 7.774 1.00 0.00 N ATOM 760 NH2 ARG A 52 -6.329 -15.959 9.180 1.00 0.00 N ATOM 0 H ARG A 52 -4.914 -12.884 4.648 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.795 -13.195 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.558 -14.687 2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.005 -15.349 3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.468 -13.628 5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.069 -15.248 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.738 -16.128 5.194 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.253 -14.501 5.628 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.581 -15.254 7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.114 -15.850 6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.922 -16.277 8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.325 -15.803 9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.731 -16.251 9.953 1.00 0.00 H new ATOM 774 N HIS A 53 -6.424 -10.920 3.619 1.00 0.00 N ATOM 775 CA HIS A 53 -7.223 -9.741 3.935 1.00 0.00 C ATOM 776 C HIS A 53 -8.189 -9.418 2.799 1.00 0.00 C ATOM 777 O HIS A 53 -7.814 -9.377 1.627 1.00 0.00 O ATOM 778 CB HIS A 53 -6.315 -8.541 4.205 1.00 0.00 C ATOM 779 CG HIS A 53 -6.928 -7.517 5.109 1.00 0.00 C ATOM 780 ND1 HIS A 53 -7.974 -6.704 4.726 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.638 -7.177 6.387 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.300 -5.907 5.728 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.505 -6.175 6.749 1.00 0.00 N ATOM 0 H HIS A 53 -5.420 -10.796 3.747 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.804 -9.956 4.832 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.383 -8.893 4.648 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.059 -8.069 3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.868 -7.613 7.007 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.083 -5.163 5.715 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.531 -5.713 7.658 1.00 0.00 H new ATOM 792 N PRO A 54 -9.461 -9.184 3.151 1.00 0.00 N ATOM 793 CA PRO A 54 -10.506 -8.861 2.176 1.00 0.00 C ATOM 794 C PRO A 54 -10.319 -7.478 1.562 1.00 0.00 C ATOM 795 O PRO A 54 -10.320 -7.325 0.340 1.00 0.00 O ATOM 796 CB PRO A 54 -11.792 -8.909 3.005 1.00 0.00 C ATOM 797 CG PRO A 54 -11.355 -8.625 4.400 1.00 0.00 C ATOM 798 CD PRO A 54 -9.978 -9.216 4.530 1.00 0.00 C ATOM 0 HA PRO A 54 -10.502 -9.549 1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.514 -8.170 2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.274 -9.884 2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.339 -7.552 4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.040 -9.069 5.122 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.353 -8.634 5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.012 -10.232 4.923 1.00 0.00 H new ATOM 806 N ARG A 55 -10.159 -6.473 2.417 1.00 0.00 N ATOM 807 CA ARG A 55 -9.971 -5.102 1.958 1.00 0.00 C ATOM 808 C ARG A 55 -8.577 -4.912 1.368 1.00 0.00 C ATOM 809 O ARG A 55 -8.426 -4.688 0.166 1.00 0.00 O ATOM 810 CB ARG A 55 -10.186 -4.121 3.112 1.00 0.00 C ATOM 811 CG ARG A 55 -11.595 -4.148 3.680 1.00 0.00 C ATOM 812 CD ARG A 55 -11.974 -2.809 4.293 1.00 0.00 C ATOM 813 NE ARG A 55 -11.005 -2.372 5.294 1.00 0.00 N ATOM 814 CZ ARG A 55 -11.008 -2.794 6.554 1.00 0.00 C ATOM 815 NH1 ARG A 55 -11.924 -3.659 6.964 1.00 0.00 N ATOM 816 NH2 ARG A 55 -10.093 -2.349 7.406 1.00 0.00 N ATOM 0 H ARG A 55 -10.156 -6.583 3.431 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.707 -4.903 1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.478 -4.350 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.962 -3.112 2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.302 -4.401 2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.669 -4.930 4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.047 -2.058 3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.960 -2.886 4.752 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.286 -1.706 5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.629 -4.003 6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.924 -3.981 7.932 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.387 -1.683 7.094 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.096 -2.673 8.373 1.00 0.00 H new ATOM 830 N ILE A 56 -7.562 -5.003 2.220 1.00 0.00 N ATOM 831 CA ILE A 56 -6.181 -4.842 1.783 1.00 0.00 C ATOM 832 C ILE A 56 -5.737 -6.018 0.919 1.00 0.00 C ATOM 833 O ILE A 56 -5.380 -7.079 1.432 1.00 0.00 O ATOM 834 CB ILE A 56 -5.223 -4.710 2.982 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.660 -3.558 3.888 1.00 0.00 C ATOM 836 CG2 ILE A 56 -3.796 -4.498 2.498 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.063 -3.620 5.276 1.00 0.00 C ATOM 0 H ILE A 56 -7.670 -5.187 3.217 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.141 -3.926 1.194 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.257 -5.634 3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.379 -2.614 3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.747 -3.562 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.130 -4.406 3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.488 -5.348 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.746 -3.587 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.417 -2.772 5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.365 -4.548 5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.976 -3.585 5.206 1.00 0.00 H new ATOM 849 N SER A 57 -5.760 -5.821 -0.395 1.00 0.00 N ATOM 850 CA SER A 57 -5.362 -6.866 -1.332 1.00 0.00 C ATOM 851 C SER A 57 -4.028 -6.526 -1.989 1.00 0.00 C ATOM 852 O SER A 57 -3.874 -5.466 -2.596 1.00 0.00 O ATOM 853 CB SER A 57 -6.438 -7.057 -2.403 1.00 0.00 C ATOM 854 OG SER A 57 -6.387 -8.364 -2.949 1.00 0.00 O ATOM 0 H SER A 57 -6.050 -4.948 -0.835 1.00 0.00 H new ATOM 0 HA SER A 57 -5.246 -7.795 -0.775 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.422 -6.878 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.301 -6.322 -3.196 1.00 0.00 H new ATOM 0 HG SER A 57 -7.085 -8.462 -3.630 1.00 0.00 H new ATOM 860 N VAL A 58 -3.066 -7.434 -1.865 1.00 0.00 N ATOM 861 CA VAL A 58 -1.744 -7.233 -2.447 1.00 0.00 C ATOM 862 C VAL A 58 -1.661 -7.840 -3.843 1.00 0.00 C ATOM 863 O VAL A 58 -1.609 -9.061 -3.999 1.00 0.00 O ATOM 864 CB VAL A 58 -0.642 -7.849 -1.565 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.730 -7.598 -2.172 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.719 -7.292 -0.151 1.00 0.00 C ATOM 0 H VAL A 58 -3.177 -8.317 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.587 -6.156 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.799 -8.926 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.496 -8.040 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.777 -8.049 -3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.901 -6.525 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.067 -7.738 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.587 -6.210 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.692 -7.528 0.281 1.00 0.00 H new ATOM 876 N LEU A 59 -1.648 -6.981 -4.856 1.00 0.00 N ATOM 877 CA LEU A 59 -1.570 -7.432 -6.241 1.00 0.00 C ATOM 878 C LEU A 59 -0.161 -7.907 -6.581 1.00 0.00 C ATOM 879 O LEU A 59 0.825 -7.279 -6.199 1.00 0.00 O ATOM 880 CB LEU A 59 -1.984 -6.305 -7.189 1.00 0.00 C ATOM 881 CG LEU A 59 -3.334 -5.648 -6.903 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.679 -4.641 -7.989 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.425 -6.702 -6.783 1.00 0.00 C ATOM 0 H LEU A 59 -1.690 -5.968 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.255 -8.271 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.214 -5.534 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.003 -6.700 -8.205 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.264 -5.117 -5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.643 -4.184 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.911 -3.868 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.730 -5.148 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.379 -6.216 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.494 -7.262 -7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.184 -7.384 -5.968 1.00 0.00 H new ATOM 895 N ASN A 60 -0.075 -9.020 -7.303 1.00 0.00 N ATOM 896 CA ASN A 60 1.213 -9.578 -7.696 1.00 0.00 C ATOM 897 C ASN A 60 2.201 -8.470 -8.051 1.00 0.00 C ATOM 898 O ASN A 60 3.315 -8.428 -7.530 1.00 0.00 O ATOM 899 CB ASN A 60 1.041 -10.524 -8.886 1.00 0.00 C ATOM 900 CG ASN A 60 2.360 -11.103 -9.360 1.00 0.00 C ATOM 901 OD1 ASN A 60 3.166 -11.577 -8.559 1.00 0.00 O ATOM 902 ND2 ASN A 60 2.587 -11.066 -10.668 1.00 0.00 N ATOM 0 H ASN A 60 -0.882 -9.553 -7.627 1.00 0.00 H new ATOM 0 HA ASN A 60 1.611 -10.138 -6.850 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.370 -11.336 -8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.567 -9.987 -9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.458 -11.440 -11.045 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.891 -10.664 -11.295 1.00 0.00 H new ATOM 909 N ASP A 61 1.783 -7.576 -8.940 1.00 0.00 N ATOM 910 CA ASP A 61 2.630 -6.466 -9.364 1.00 0.00 C ATOM 911 C ASP A 61 3.270 -5.781 -8.161 1.00 0.00 C ATOM 912 O ASP A 61 4.456 -5.455 -8.178 1.00 0.00 O ATOM 913 CB ASP A 61 1.814 -5.454 -10.169 1.00 0.00 C ATOM 914 CG ASP A 61 1.795 -5.773 -11.651 1.00 0.00 C ATOM 915 OD1 ASP A 61 0.993 -6.638 -12.061 1.00 0.00 O ATOM 916 OD2 ASP A 61 2.581 -5.158 -12.401 1.00 0.00 O ATOM 0 H ASP A 61 0.864 -7.598 -9.381 1.00 0.00 H new ATOM 0 HA ASP A 61 3.423 -6.866 -9.996 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.792 -5.434 -9.792 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.229 -4.457 -10.020 1.00 0.00 H new ATOM 921 N GLY A 62 2.475 -5.564 -7.117 1.00 0.00 N ATOM 922 CA GLY A 62 2.981 -4.918 -5.920 1.00 0.00 C ATOM 923 C GLY A 62 2.168 -3.699 -5.532 1.00 0.00 C ATOM 924 O GLY A 62 2.718 -2.693 -5.082 1.00 0.00 O ATOM 0 H GLY A 62 1.489 -5.824 -7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.976 -5.632 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.018 -4.623 -6.080 1.00 0.00 H new ATOM 928 N THR A 63 0.853 -3.786 -5.707 1.00 0.00 N ATOM 929 CA THR A 63 -0.037 -2.681 -5.374 1.00 0.00 C ATOM 930 C THR A 63 -1.011 -3.074 -4.269 1.00 0.00 C ATOM 931 O THR A 63 -1.524 -4.194 -4.248 1.00 0.00 O ATOM 932 CB THR A 63 -0.836 -2.214 -6.605 1.00 0.00 C ATOM 933 OG1 THR A 63 0.055 -1.701 -7.602 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.846 -1.143 -6.220 1.00 0.00 C ATOM 0 H THR A 63 0.381 -4.611 -6.078 1.00 0.00 H new ATOM 0 HA THR A 63 0.592 -1.862 -5.026 1.00 0.00 H new ATOM 0 HB THR A 63 -1.375 -3.072 -7.007 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.461 -1.408 -8.382 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.398 -0.829 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.541 -1.546 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.323 -0.286 -5.795 1.00 0.00 H new ATOM 942 N LEU A 64 -1.264 -2.146 -3.352 1.00 0.00 N ATOM 943 CA LEU A 64 -2.178 -2.395 -2.243 1.00 0.00 C ATOM 944 C LEU A 64 -3.571 -1.857 -2.555 1.00 0.00 C ATOM 945 O LEU A 64 -3.784 -0.647 -2.600 1.00 0.00 O ATOM 946 CB LEU A 64 -1.645 -1.750 -0.963 1.00 0.00 C ATOM 947 CG LEU A 64 -2.066 -2.414 0.349 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.706 -3.892 0.338 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.417 -1.714 1.534 1.00 0.00 C ATOM 0 H LEU A 64 -0.849 -1.214 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.249 -3.473 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.556 -1.742 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.970 -0.710 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.148 -2.325 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.013 -4.348 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.218 -4.385 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.629 -4.003 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.728 -2.200 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.332 -1.771 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.725 -0.669 1.552 1.00 0.00 H new ATOM 961 N ASN A 65 -4.516 -2.767 -2.768 1.00 0.00 N ATOM 962 CA ASN A 65 -5.890 -2.384 -3.074 1.00 0.00 C ATOM 963 C ASN A 65 -6.760 -2.433 -1.822 1.00 0.00 C ATOM 964 O ASN A 65 -6.512 -3.223 -0.911 1.00 0.00 O ATOM 965 CB ASN A 65 -6.471 -3.306 -4.148 1.00 0.00 C ATOM 966 CG ASN A 65 -7.892 -2.931 -4.525 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.825 -3.130 -3.747 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.062 -2.386 -5.724 1.00 0.00 N ATOM 0 H ASN A 65 -4.356 -3.774 -2.734 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.881 -1.361 -3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.840 -3.268 -5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.453 -4.335 -3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.995 -2.114 -6.033 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.259 -2.240 -6.336 1.00 0.00 H new ATOM 975 N PHE A 66 -7.781 -1.583 -1.784 1.00 0.00 N ATOM 976 CA PHE A 66 -8.688 -1.528 -0.643 1.00 0.00 C ATOM 977 C PHE A 66 -10.143 -1.563 -1.103 1.00 0.00 C ATOM 978 O PHE A 66 -10.599 -0.672 -1.820 1.00 0.00 O ATOM 979 CB PHE A 66 -8.431 -0.264 0.179 1.00 0.00 C ATOM 980 CG PHE A 66 -7.102 -0.263 0.878 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.922 -0.266 0.151 1.00 0.00 C ATOM 982 CD2 PHE A 66 -7.031 -0.260 2.262 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.697 -0.265 0.791 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.809 -0.259 2.907 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.640 -0.262 2.171 1.00 0.00 C ATOM 0 H PHE A 66 -8.001 -0.923 -2.530 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.501 -2.402 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.488 0.604 -0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.223 -0.155 0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.960 -0.269 -0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.941 -0.258 2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.785 -0.267 0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.768 -0.256 3.986 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.684 -0.262 2.673 1.00 0.00 H new ATOM 995 N SER A 67 -10.865 -2.598 -0.686 1.00 0.00 N ATOM 996 CA SER A 67 -12.266 -2.752 -1.058 1.00 0.00 C ATOM 997 C SER A 67 -13.079 -1.535 -0.627 1.00 0.00 C ATOM 998 O SER A 67 -13.846 -0.977 -1.413 1.00 0.00 O ATOM 999 CB SER A 67 -12.847 -4.018 -0.426 1.00 0.00 C ATOM 1000 OG SER A 67 -12.296 -5.182 -1.016 1.00 0.00 O ATOM 0 H SER A 67 -10.503 -3.342 -0.090 1.00 0.00 H new ATOM 0 HA SER A 67 -12.321 -2.838 -2.143 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.645 -4.019 0.645 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.930 -4.024 -0.546 1.00 0.00 H new ATOM 0 HG SER A 67 -12.682 -5.977 -0.593 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.906 -1.128 0.626 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.623 0.023 1.163 1.00 0.00 C ATOM 1008 C HIS A 68 -12.867 0.634 2.339 1.00 0.00 C ATOM 1009 O HIS A 68 -12.841 0.071 3.433 1.00 0.00 O ATOM 1010 CB HIS A 68 -15.029 -0.385 1.602 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.044 -1.481 2.623 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -14.660 -2.776 2.342 1.00 0.00 N ATOM 1013 CD2 HIS A 68 -15.397 -1.470 3.929 1.00 0.00 C ATOM 1014 CE1 HIS A 68 -14.779 -3.514 3.431 1.00 0.00 C ATOM 1015 NE2 HIS A 68 -15.223 -2.745 4.409 1.00 0.00 N ATOM 0 H HIS A 68 -12.275 -1.578 1.289 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.700 0.772 0.375 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.541 0.487 2.010 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.595 -0.707 0.728 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -15.750 -0.617 4.490 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -14.552 -4.567 3.509 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.407 -3.049 5.365 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.251 1.789 2.105 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.495 2.476 3.144 1.00 0.00 C ATOM 1026 C VAL A 69 -12.423 3.067 4.200 1.00 0.00 C ATOM 1027 O VAL A 69 -13.479 3.612 3.878 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.625 3.602 2.554 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.577 3.028 1.611 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.493 4.627 1.840 1.00 0.00 C ATOM 0 H VAL A 69 -12.261 2.268 1.204 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.848 1.732 3.608 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.108 4.105 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.972 3.838 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.937 2.335 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.071 2.499 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.862 5.415 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.039 4.141 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.201 5.060 2.547 1.00 0.00 H new ATOM 1040 N LEU A 70 -12.022 2.955 5.461 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.818 3.479 6.566 1.00 0.00 C ATOM 1042 C LEU A 70 -12.076 4.601 7.287 1.00 0.00 C ATOM 1043 O LEU A 70 -10.856 4.725 7.176 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.156 2.360 7.553 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.707 1.071 6.942 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.450 -0.110 7.865 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -15.194 1.211 6.653 1.00 0.00 C ATOM 0 H LEU A 70 -11.151 2.506 5.744 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.743 3.884 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.256 2.116 8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.886 2.741 8.267 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.190 0.888 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.849 -1.018 7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.377 -0.223 8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.939 0.064 8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.569 0.284 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.727 1.419 7.581 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.353 2.031 5.952 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.821 5.414 8.028 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.235 6.525 8.770 1.00 0.00 C ATOM 1061 C LEU A 71 -11.092 6.043 9.658 1.00 0.00 C ATOM 1062 O LEU A 71 -10.101 6.748 9.849 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.302 7.215 9.621 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.424 7.915 8.853 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.523 8.362 9.803 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.876 9.102 8.072 1.00 0.00 C ATOM 0 H LEU A 71 -13.832 5.325 8.131 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.835 7.240 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.749 6.471 10.280 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.811 7.951 10.258 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.851 7.205 8.145 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.313 8.858 9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.935 7.494 10.317 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.111 9.055 10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.688 9.588 7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.422 9.813 8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.125 8.755 7.363 1.00 0.00 H new ATOM 1078 N SER A 72 -11.237 4.837 10.198 1.00 0.00 N ATOM 1079 CA SER A 72 -10.218 4.262 11.068 1.00 0.00 C ATOM 1080 C SER A 72 -8.973 3.885 10.271 1.00 0.00 C ATOM 1081 O SER A 72 -7.854 3.946 10.781 1.00 0.00 O ATOM 1082 CB SER A 72 -10.769 3.029 11.788 1.00 0.00 C ATOM 1083 OG SER A 72 -11.951 3.343 12.503 1.00 0.00 O ATOM 0 H SER A 72 -12.050 4.239 10.048 1.00 0.00 H new ATOM 0 HA SER A 72 -9.941 5.013 11.808 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.977 2.243 11.062 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.018 2.639 12.474 1.00 0.00 H new ATOM 0 HG SER A 72 -12.285 2.539 12.953 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.177 3.496 9.017 1.00 0.00 N ATOM 1090 CA ASP A 73 -8.071 3.110 8.147 1.00 0.00 C ATOM 1091 C ASP A 73 -7.122 4.282 7.923 1.00 0.00 C ATOM 1092 O ASP A 73 -5.960 4.094 7.560 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.603 2.603 6.806 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.212 1.219 6.909 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -8.687 0.396 7.689 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -10.214 0.958 6.211 1.00 0.00 O ATOM 0 H ASP A 73 -10.097 3.440 8.580 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.518 2.308 8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.353 3.299 6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.791 2.586 6.080 1.00 0.00 H new ATOM 1101 N THR A 74 -7.624 5.494 8.140 1.00 0.00 N ATOM 1102 CA THR A 74 -6.821 6.697 7.959 1.00 0.00 C ATOM 1103 C THR A 74 -5.512 6.607 8.735 1.00 0.00 C ATOM 1104 O THR A 74 -5.508 6.332 9.934 1.00 0.00 O ATOM 1105 CB THR A 74 -7.587 7.956 8.410 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.766 8.123 7.615 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.710 9.193 8.291 1.00 0.00 C ATOM 0 H THR A 74 -8.583 5.668 8.441 1.00 0.00 H new ATOM 0 HA THR A 74 -6.603 6.775 6.894 1.00 0.00 H new ATOM 0 HB THR A 74 -7.869 7.828 9.455 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.522 7.681 8.055 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.271 10.069 8.615 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.827 9.075 8.919 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.402 9.322 7.253 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.402 6.842 8.042 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.101 6.783 8.684 1.00 0.00 C ATOM 1117 C GLY A 75 -1.962 6.768 7.684 1.00 0.00 C ATOM 1118 O GLY A 75 -1.983 7.503 6.697 1.00 0.00 O ATOM 0 H GLY A 75 -4.380 7.072 7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.987 7.641 9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.046 5.890 9.306 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.963 5.930 7.941 1.00 0.00 N ATOM 1123 CA VAL A 76 0.191 5.822 7.056 1.00 0.00 C ATOM 1124 C VAL A 76 0.542 4.364 6.784 1.00 0.00 C ATOM 1125 O VAL A 76 0.611 3.549 7.705 1.00 0.00 O ATOM 1126 CB VAL A 76 1.422 6.533 7.650 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.639 6.327 6.760 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.139 8.014 7.847 1.00 0.00 C ATOM 0 H VAL A 76 -0.929 5.316 8.755 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.083 6.307 6.119 1.00 0.00 H new ATOM 0 HB VAL A 76 1.637 6.096 8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.499 6.836 7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.853 5.261 6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.439 6.736 5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.020 8.500 8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.897 8.469 6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.297 8.136 8.529 1.00 0.00 H new ATOM 1138 N TYR A 77 0.763 4.041 5.515 1.00 0.00 N ATOM 1139 CA TYR A 77 1.105 2.680 5.121 1.00 0.00 C ATOM 1140 C TYR A 77 2.549 2.599 4.635 1.00 0.00 C ATOM 1141 O TYR A 77 2.970 3.369 3.771 1.00 0.00 O ATOM 1142 CB TYR A 77 0.158 2.191 4.023 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.279 2.060 4.477 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -2.040 3.184 4.771 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.875 0.812 4.609 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.352 3.069 5.187 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.187 0.688 5.023 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.922 1.819 5.311 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.229 1.700 5.723 1.00 0.00 O ATOM 0 H TYR A 77 0.711 4.704 4.741 1.00 0.00 H new ATOM 0 HA TYR A 77 0.999 2.039 5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.203 2.882 3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.505 1.224 3.660 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.598 4.165 4.673 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.303 -0.076 4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.929 3.953 5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.635 -0.290 5.121 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.459 2.455 6.304 1.00 0.00 H new ATOM 1159 N THR A 78 3.304 1.660 5.196 1.00 0.00 N ATOM 1160 CA THR A 78 4.700 1.477 4.823 1.00 0.00 C ATOM 1161 C THR A 78 4.896 0.183 4.041 1.00 0.00 C ATOM 1162 O THR A 78 4.693 -0.910 4.571 1.00 0.00 O ATOM 1163 CB THR A 78 5.616 1.459 6.061 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.369 2.615 6.870 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.080 1.424 5.652 1.00 0.00 C ATOM 0 H THR A 78 2.971 1.014 5.911 1.00 0.00 H new ATOM 0 HA THR A 78 4.971 2.324 4.193 1.00 0.00 H new ATOM 0 HB THR A 78 5.395 0.559 6.635 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.954 2.595 7.656 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.707 1.412 6.544 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.272 0.528 5.062 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.313 2.307 5.057 1.00 0.00 H new ATOM 1173 N CYS A 79 5.291 0.313 2.780 1.00 0.00 N ATOM 1174 CA CYS A 79 5.514 -0.847 1.925 1.00 0.00 C ATOM 1175 C CYS A 79 6.956 -1.333 2.032 1.00 0.00 C ATOM 1176 O CYS A 79 7.895 -0.539 1.972 1.00 0.00 O ATOM 1177 CB CYS A 79 5.185 -0.506 0.471 1.00 0.00 C ATOM 1178 SG CYS A 79 5.335 -1.904 -0.667 1.00 0.00 S ATOM 0 H CYS A 79 5.464 1.210 2.327 1.00 0.00 H new ATOM 0 HA CYS A 79 4.854 -1.647 2.261 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.168 -0.118 0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 79 5.847 0.293 0.138 1.00 0.00 H new ATOM 0 HG CYS A 79 4.150 -2.327 -0.993 1.00 0.00 H new ATOM 1184 N MET A 80 7.124 -2.641 2.193 1.00 0.00 N ATOM 1185 CA MET A 80 8.452 -3.232 2.310 1.00 0.00 C ATOM 1186 C MET A 80 8.842 -3.953 1.023 1.00 0.00 C ATOM 1187 O MET A 80 8.001 -4.564 0.363 1.00 0.00 O ATOM 1188 CB MET A 80 8.499 -4.207 3.488 1.00 0.00 C ATOM 1189 CG MET A 80 8.037 -3.596 4.801 1.00 0.00 C ATOM 1190 SD MET A 80 8.355 -4.668 6.216 1.00 0.00 S ATOM 1191 CE MET A 80 7.021 -4.187 7.311 1.00 0.00 C ATOM 0 H MET A 80 6.358 -3.312 2.245 1.00 0.00 H new ATOM 0 HA MET A 80 9.165 -2.427 2.486 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.875 -5.071 3.259 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.519 -4.573 3.606 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.543 -2.642 4.952 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.969 -3.384 4.743 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.162 -4.657 8.284 1.00 0.00 H new ATOM 0 HE2 MET A 80 7.019 -3.103 7.428 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.069 -4.508 6.888 1.00 0.00 H new ATOM 1201 N VAL A 81 10.121 -3.877 0.671 1.00 0.00 N ATOM 1202 CA VAL A 81 10.622 -4.522 -0.537 1.00 0.00 C ATOM 1203 C VAL A 81 11.963 -5.200 -0.282 1.00 0.00 C ATOM 1204 O VAL A 81 12.935 -4.553 0.108 1.00 0.00 O ATOM 1205 CB VAL A 81 10.780 -3.512 -1.689 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.253 -4.214 -2.953 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.472 -2.776 -1.935 1.00 0.00 C ATOM 0 H VAL A 81 10.830 -3.375 1.206 1.00 0.00 H new ATOM 0 HA VAL A 81 9.886 -5.274 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 81 11.535 -2.778 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.359 -3.485 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.215 -4.690 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.524 -4.970 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.602 -2.066 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.695 -3.493 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.181 -2.240 -1.032 1.00 0.00 H new ATOM 1217 N THR A 82 12.010 -6.510 -0.505 1.00 0.00 N ATOM 1218 CA THR A 82 13.232 -7.278 -0.299 1.00 0.00 C ATOM 1219 C THR A 82 13.636 -8.019 -1.569 1.00 0.00 C ATOM 1220 O THR A 82 12.820 -8.701 -2.187 1.00 0.00 O ATOM 1221 CB THR A 82 13.070 -8.295 0.846 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.541 -7.645 2.007 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.403 -8.945 1.185 1.00 0.00 C ATOM 0 H THR A 82 11.215 -7.061 -0.829 1.00 0.00 H new ATOM 0 HA THR A 82 14.013 -6.565 -0.034 1.00 0.00 H new ATOM 0 HB THR A 82 12.379 -9.071 0.518 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.439 -8.299 2.730 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.264 -9.659 1.996 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.789 -9.464 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.113 -8.178 1.495 1.00 0.00 H new ATOM 1231 N ASN A 83 14.901 -7.880 -1.951 1.00 0.00 N ATOM 1232 CA ASN A 83 15.414 -8.538 -3.148 1.00 0.00 C ATOM 1233 C ASN A 83 16.773 -9.176 -2.878 1.00 0.00 C ATOM 1234 O ASN A 83 17.375 -8.960 -1.826 1.00 0.00 O ATOM 1235 CB ASN A 83 15.529 -7.534 -4.297 1.00 0.00 C ATOM 1236 CG ASN A 83 14.278 -6.692 -4.457 1.00 0.00 C ATOM 1237 OD1 ASN A 83 13.470 -6.925 -5.356 1.00 0.00 O ATOM 1238 ND2 ASN A 83 14.112 -5.706 -3.582 1.00 0.00 N ATOM 0 H ASN A 83 15.590 -7.318 -1.450 1.00 0.00 H new ATOM 0 HA ASN A 83 14.713 -9.324 -3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.383 -6.880 -4.121 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.724 -8.070 -5.226 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.289 -5.106 -3.640 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.808 -5.549 -2.853 1.00 0.00 H new ATOM 1245 N VAL A 84 17.251 -9.965 -3.836 1.00 0.00 N ATOM 1246 CA VAL A 84 18.539 -10.634 -3.702 1.00 0.00 C ATOM 1247 C VAL A 84 19.682 -9.625 -3.668 1.00 0.00 C ATOM 1248 O VAL A 84 20.672 -9.818 -2.964 1.00 0.00 O ATOM 1249 CB VAL A 84 18.779 -11.625 -4.857 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.734 -10.905 -6.197 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.106 -12.346 -4.674 1.00 0.00 C ATOM 0 H VAL A 84 16.765 -10.156 -4.712 1.00 0.00 H new ATOM 0 HA VAL A 84 18.514 -11.183 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 84 17.983 -12.369 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.906 -11.621 -7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.757 -10.440 -6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.507 -10.137 -6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.259 -13.042 -5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.917 -11.618 -4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.095 -12.896 -3.733 1.00 0.00 H new ATOM 1261 N ALA A 85 19.536 -8.548 -4.433 1.00 0.00 N ATOM 1262 CA ALA A 85 20.555 -7.507 -4.488 1.00 0.00 C ATOM 1263 C ALA A 85 20.443 -6.566 -3.293 1.00 0.00 C ATOM 1264 O ALA A 85 21.436 -6.264 -2.633 1.00 0.00 O ATOM 1265 CB ALA A 85 20.442 -6.727 -5.789 1.00 0.00 C ATOM 0 H ALA A 85 18.722 -8.374 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 85 21.533 -7.987 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 85 21.209 -5.953 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 85 20.579 -7.404 -6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 85 19.457 -6.264 -5.852 1.00 0.00 H new ATOM 1271 N GLY A 86 19.226 -6.104 -3.021 1.00 0.00 N ATOM 1272 CA GLY A 86 19.007 -5.201 -1.906 1.00 0.00 C ATOM 1273 C GLY A 86 17.549 -5.123 -1.500 1.00 0.00 C ATOM 1274 O GLY A 86 16.707 -5.833 -2.049 1.00 0.00 O ATOM 0 H GLY A 86 18.388 -6.339 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.601 -5.531 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.360 -4.205 -2.174 1.00 0.00 H new ATOM 1278 N ASN A 87 17.250 -4.259 -0.536 1.00 0.00 N ATOM 1279 CA ASN A 87 15.883 -4.093 -0.055 1.00 0.00 C ATOM 1280 C ASN A 87 15.576 -2.623 0.215 1.00 0.00 C ATOM 1281 O ASN A 87 16.470 -1.841 0.539 1.00 0.00 O ATOM 1282 CB ASN A 87 15.664 -4.914 1.217 1.00 0.00 C ATOM 1283 CG ASN A 87 16.488 -4.402 2.384 1.00 0.00 C ATOM 1284 OD1 ASN A 87 16.585 -3.196 2.607 1.00 0.00 O ATOM 1285 ND2 ASN A 87 17.085 -5.321 3.134 1.00 0.00 N ATOM 0 H ASN A 87 17.936 -3.663 -0.072 1.00 0.00 H new ATOM 0 HA ASN A 87 15.206 -4.451 -0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.607 -4.891 1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.921 -5.955 1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.652 -5.037 3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.976 -6.310 2.911 1.00 0.00 H new ATOM 1292 N SER A 88 14.306 -2.255 0.081 1.00 0.00 N ATOM 1293 CA SER A 88 13.882 -0.879 0.308 1.00 0.00 C ATOM 1294 C SER A 88 12.438 -0.829 0.798 1.00 0.00 C ATOM 1295 O SER A 88 11.776 -1.860 0.918 1.00 0.00 O ATOM 1296 CB SER A 88 14.024 -0.061 -0.977 1.00 0.00 C ATOM 1297 OG SER A 88 15.369 0.335 -1.184 1.00 0.00 O ATOM 0 H SER A 88 13.553 -2.890 -0.184 1.00 0.00 H new ATOM 0 HA SER A 88 14.524 -0.450 1.077 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.680 -0.651 -1.827 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.386 0.821 -0.922 1.00 0.00 H new ATOM 0 HG SER A 88 15.958 -0.190 -0.602 1.00 0.00 H new ATOM 1303 N ASN A 89 11.956 0.377 1.080 1.00 0.00 N ATOM 1304 CA ASN A 89 10.591 0.562 1.558 1.00 0.00 C ATOM 1305 C ASN A 89 10.105 1.981 1.280 1.00 0.00 C ATOM 1306 O ASN A 89 10.901 2.878 1.006 1.00 0.00 O ATOM 1307 CB ASN A 89 10.509 0.267 3.057 1.00 0.00 C ATOM 1308 CG ASN A 89 11.323 1.244 3.884 1.00 0.00 C ATOM 1309 OD1 ASN A 89 10.889 2.499 3.912 1.00 0.00 O flip ATOM 1310 ND2 ASN A 89 12.329 0.874 4.490 1.00 0.00 N flip ATOM 0 H ASN A 89 12.491 1.241 0.986 1.00 0.00 H new ATOM 0 HA ASN A 89 9.947 -0.135 1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.467 0.305 3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.863 -0.747 3.245 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.625 -0.101 4.440 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.866 1.542 5.042 1.00 0.00 H new ATOM 1317 N ALA A 90 8.792 2.177 1.355 1.00 0.00 N ATOM 1318 CA ALA A 90 8.200 3.487 1.114 1.00 0.00 C ATOM 1319 C ALA A 90 7.088 3.779 2.116 1.00 0.00 C ATOM 1320 O ALA A 90 6.713 2.916 2.911 1.00 0.00 O ATOM 1321 CB ALA A 90 7.668 3.572 -0.309 1.00 0.00 C ATOM 0 H ALA A 90 8.119 1.445 1.581 1.00 0.00 H new ATOM 0 HA ALA A 90 8.977 4.240 1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.229 4.556 -0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.485 3.416 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.908 2.805 -0.460 1.00 0.00 H new ATOM 1327 N SER A 91 6.564 4.999 2.072 1.00 0.00 N ATOM 1328 CA SER A 91 5.497 5.406 2.979 1.00 0.00 C ATOM 1329 C SER A 91 4.445 6.232 2.244 1.00 0.00 C ATOM 1330 O SER A 91 4.706 6.778 1.173 1.00 0.00 O ATOM 1331 CB SER A 91 6.070 6.212 4.146 1.00 0.00 C ATOM 1332 OG SER A 91 6.942 5.419 4.934 1.00 0.00 O ATOM 0 H SER A 91 6.861 5.723 1.418 1.00 0.00 H new ATOM 0 HA SER A 91 5.021 4.506 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.608 7.079 3.764 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.257 6.589 4.766 1.00 0.00 H new ATOM 0 HG SER A 91 7.296 5.957 5.672 1.00 0.00 H new ATOM 1338 N ALA A 92 3.254 6.317 2.829 1.00 0.00 N ATOM 1339 CA ALA A 92 2.163 7.076 2.233 1.00 0.00 C ATOM 1340 C ALA A 92 0.994 7.212 3.203 1.00 0.00 C ATOM 1341 O ALA A 92 0.528 6.224 3.770 1.00 0.00 O ATOM 1342 CB ALA A 92 1.705 6.416 0.940 1.00 0.00 C ATOM 0 H ALA A 92 3.021 5.869 3.715 1.00 0.00 H new ATOM 0 HA ALA A 92 2.531 8.077 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.889 6.994 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.537 6.377 0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.360 5.404 1.151 1.00 0.00 H new ATOM 1348 N TYR A 93 0.526 8.441 3.389 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.587 8.706 4.293 1.00 0.00 C ATOM 1350 C TYR A 93 -1.919 8.639 3.552 1.00 0.00 C ATOM 1351 O TYR A 93 -2.106 9.296 2.527 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.423 10.078 4.949 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.426 10.347 6.049 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.754 10.626 5.752 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -1.045 10.322 7.385 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.673 10.873 6.753 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -1.957 10.567 8.392 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.270 10.842 8.072 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.183 11.087 9.072 1.00 0.00 O ATOM 0 H TYR A 93 0.900 9.269 2.926 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.584 7.938 5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.584 10.157 5.359 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.518 10.850 4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.073 10.650 4.721 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.018 10.107 7.640 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.702 11.089 6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.644 10.543 9.425 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.738 11.026 9.943 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.842 7.842 4.079 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.158 7.689 3.469 1.00 0.00 C ATOM 1371 C LEU A 94 -5.217 8.449 4.262 1.00 0.00 C ATOM 1372 O LEU A 94 -5.434 8.180 5.442 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.534 6.209 3.383 1.00 0.00 C ATOM 1374 CG LEU A 94 -5.979 5.904 2.988 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.162 6.046 1.485 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.374 4.508 3.446 1.00 0.00 C ATOM 0 H LEU A 94 -2.703 7.292 4.927 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.115 8.105 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.873 5.728 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.339 5.749 4.351 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.631 6.624 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.196 5.825 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.921 7.065 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.500 5.349 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.406 4.308 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.718 3.773 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.282 4.441 4.530 1.00 0.00 H new ATOM 1388 N ASN A 95 -5.875 9.397 3.603 1.00 0.00 N ATOM 1389 CA ASN A 95 -6.913 10.195 4.245 1.00 0.00 C ATOM 1390 C ASN A 95 -8.302 9.700 3.852 1.00 0.00 C ATOM 1391 O ASN A 95 -8.611 9.562 2.668 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.760 11.669 3.868 1.00 0.00 C ATOM 1393 CG ASN A 95 -7.978 12.492 4.240 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.851 12.031 4.977 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.044 13.716 3.730 1.00 0.00 N ATOM 0 H ASN A 95 -5.708 9.631 2.624 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.801 10.089 5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.882 12.079 4.367 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.584 11.750 2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.841 14.315 3.944 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.298 14.057 3.124 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.135 9.434 4.853 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.492 8.956 4.612 1.00 0.00 C ATOM 1404 C VAL A 96 -11.524 9.939 5.152 1.00 0.00 C ATOM 1405 O VAL A 96 -11.625 10.149 6.360 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.724 7.578 5.259 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -12.152 7.111 5.022 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.726 6.563 4.723 1.00 0.00 C ATOM 0 H VAL A 96 -8.894 9.541 5.838 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.610 8.867 3.532 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.571 7.670 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.298 6.136 5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.847 7.828 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.337 7.034 3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.905 5.595 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.844 6.471 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.713 6.894 4.950 1.00 0.00 H new ATOM 1418 N SER A 97 -12.291 10.539 4.247 1.00 0.00 N ATOM 1419 CA SER A 97 -13.315 11.504 4.631 1.00 0.00 C ATOM 1420 C SER A 97 -14.677 10.827 4.762 1.00 0.00 C ATOM 1421 O SER A 97 -14.978 9.870 4.048 1.00 0.00 O ATOM 1422 CB SER A 97 -13.392 12.635 3.604 1.00 0.00 C ATOM 1423 OG SER A 97 -12.261 13.484 3.696 1.00 0.00 O ATOM 0 H SER A 97 -12.223 10.374 3.243 1.00 0.00 H new ATOM 0 HA SER A 97 -13.041 11.921 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.455 12.215 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.301 13.215 3.765 1.00 0.00 H new ATOM 0 HG SER A 97 -12.333 14.198 3.028 1.00 0.00 H new ATOM 1429 N SER A 98 -15.496 11.332 5.679 1.00 0.00 N ATOM 1430 CA SER A 98 -16.824 10.775 5.907 1.00 0.00 C ATOM 1431 C SER A 98 -17.890 11.602 5.193 1.00 0.00 C ATOM 1432 O SER A 98 -17.692 12.783 4.915 1.00 0.00 O ATOM 1433 CB SER A 98 -17.126 10.719 7.406 1.00 0.00 C ATOM 1434 OG SER A 98 -18.216 9.854 7.674 1.00 0.00 O ATOM 0 H SER A 98 -15.263 12.126 6.276 1.00 0.00 H new ATOM 0 HA SER A 98 -16.841 9.763 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.243 10.375 7.945 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.353 11.720 7.772 1.00 0.00 H new ATOM 0 HG SER A 98 -18.388 9.834 8.639 1.00 0.00 H new ATOM 1440 N GLY A 99 -19.021 10.969 4.898 1.00 0.00 N ATOM 1441 CA GLY A 99 -20.102 11.659 4.219 1.00 0.00 C ATOM 1442 C GLY A 99 -21.327 10.784 4.039 1.00 0.00 C ATOM 1443 O GLY A 99 -21.358 9.629 4.462 1.00 0.00 O ATOM 0 H GLY A 99 -19.208 9.991 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -20.375 12.548 4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.756 11.999 3.243 1.00 0.00 H new ATOM 1447 N PRO A 100 -22.366 11.339 3.398 1.00 0.00 N ATOM 1448 CA PRO A 100 -23.619 10.619 3.150 1.00 0.00 C ATOM 1449 C PRO A 100 -23.453 9.506 2.121 1.00 0.00 C ATOM 1450 O PRO A 100 -22.928 9.729 1.030 1.00 0.00 O ATOM 1451 CB PRO A 100 -24.553 11.707 2.615 1.00 0.00 C ATOM 1452 CG PRO A 100 -23.645 12.730 2.025 1.00 0.00 C ATOM 1453 CD PRO A 100 -22.399 12.712 2.867 1.00 0.00 C ATOM 0 HA PRO A 100 -23.990 10.124 4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -25.238 11.308 1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -25.163 12.132 3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -23.417 12.496 0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -24.109 13.716 2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -21.511 12.936 2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -22.444 13.451 3.667 1.00 0.00 H new ATOM 1461 N SER A 101 -23.905 8.307 2.475 1.00 0.00 N ATOM 1462 CA SER A 101 -23.804 7.158 1.583 1.00 0.00 C ATOM 1463 C SER A 101 -25.156 6.468 1.431 1.00 0.00 C ATOM 1464 O SER A 101 -26.096 6.748 2.175 1.00 0.00 O ATOM 1465 CB SER A 101 -22.768 6.165 2.112 1.00 0.00 C ATOM 1466 OG SER A 101 -21.507 6.787 2.285 1.00 0.00 O ATOM 0 H SER A 101 -24.345 8.106 3.373 1.00 0.00 H new ATOM 0 HA SER A 101 -23.486 7.516 0.604 1.00 0.00 H new ATOM 0 HB2 SER A 101 -23.107 5.753 3.062 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.673 5.330 1.418 1.00 0.00 H new ATOM 0 HG SER A 101 -20.863 6.132 2.626 1.00 0.00 H new ATOM 1472 N SER A 102 -25.246 5.563 0.461 1.00 0.00 N ATOM 1473 CA SER A 102 -26.483 4.835 0.207 1.00 0.00 C ATOM 1474 C SER A 102 -26.507 3.519 0.979 1.00 0.00 C ATOM 1475 O SER A 102 -27.414 3.266 1.770 1.00 0.00 O ATOM 1476 CB SER A 102 -26.643 4.564 -1.290 1.00 0.00 C ATOM 1477 OG SER A 102 -27.991 4.271 -1.614 1.00 0.00 O ATOM 0 H SER A 102 -24.477 5.317 -0.162 1.00 0.00 H new ATOM 0 HA SER A 102 -27.315 5.452 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 102 -26.310 5.433 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.006 3.729 -1.582 1.00 0.00 H new ATOM 0 HG SER A 102 -28.067 4.103 -2.577 1.00 0.00 H new ATOM 1483 N GLY A 103 -25.500 2.683 0.742 1.00 0.00 N ATOM 1484 CA GLY A 103 -25.423 1.403 1.421 1.00 0.00 C ATOM 1485 C GLY A 103 -24.428 1.412 2.565 1.00 0.00 C ATOM 1486 O GLY A 103 -23.557 2.279 2.631 1.00 0.00 O ATOM 0 H GLY A 103 -24.737 2.870 0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -26.409 1.138 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -25.141 0.632 0.704 1.00 0.00 H new TER 1490 GLY A 103