USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1145 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 Single : A 4 SER OG : rot 50:sc= 0.124 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 150:sc= -0.23 (180deg=-1.42!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00703 USER MOD Single : A 13 GLN : amide:sc= -0.0675 X(o=-0.067,f=-0.067) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0714 F(o=-0.69,f=-0.071) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.46) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0366 USER MOD Single : A 34 CYS SG : rot 34:sc= 0.478 USER MOD Single : A 37 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0269 K(o=-0.027,f=-1.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -63:sc= 0.919 USER MOD Single : A 68 MET CE :methyl 168:sc= -1.83 (180deg=-1.98) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -158:sc= -0.204 (180deg=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -27:sc= -0.198 USER MOD Single : A 80 GLN : amide:sc= 0.266 X(o=0.27,f=-0.0073) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 171:sc= -1.25 (180deg=-1.38) USER MOD Single : A 90 LYS NZ :NH3+ -173:sc=-0.00225 (180deg=-0.0492) USER MOD Single : A 91 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=-0.059) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.0771 X(o=-0.077,f=-0.016) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -120:sc= -0.0291 (180deg=-0.928) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 HIS : no HD1:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 132 HIS : no HE2:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 134 HIS : no HD1:sc= -0.0865 X(o=-0.086,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 41.217 9.639 25.540 1.00 0.00 N ATOM 2 CA PRO A 1 40.057 8.854 25.086 1.00 0.00 C ATOM 3 C PRO A 1 39.371 8.178 26.278 1.00 0.00 C ATOM 4 O PRO A 1 39.973 7.318 26.916 1.00 0.00 O ATOM 5 CB PRO A 1 40.606 7.830 24.078 1.00 0.00 C ATOM 6 CG PRO A 1 42.074 7.648 24.492 1.00 0.00 C ATOM 7 CD PRO A 1 42.456 9.029 25.028 1.00 0.00 C ATOM 0 H2 PRO A 1 41.239 9.673 26.559 1.00 0.00 H new ATOM 0 H3 PRO A 1 41.139 10.601 25.211 1.00 0.00 H new ATOM 0 HA PRO A 1 39.297 9.479 24.617 1.00 0.00 H new ATOM 0 HB2 PRO A 1 40.058 6.889 24.127 1.00 0.00 H new ATOM 0 HB3 PRO A 1 40.523 8.194 23.054 1.00 0.00 H new ATOM 0 HG2 PRO A 1 42.186 6.875 25.253 1.00 0.00 H new ATOM 0 HG3 PRO A 1 42.698 7.356 23.647 1.00 0.00 H new ATOM 0 HD2 PRO A 1 43.202 8.945 25.818 1.00 0.00 H new ATOM 0 HD3 PRO A 1 42.893 9.643 24.241 1.00 0.00 H new ATOM 15 N ALA A 2 38.145 8.592 26.605 1.00 0.00 N ATOM 16 CA ALA A 2 37.331 8.066 27.694 1.00 0.00 C ATOM 17 C ALA A 2 35.863 8.334 27.345 1.00 0.00 C ATOM 18 O ALA A 2 35.589 9.067 26.392 1.00 0.00 O ATOM 19 CB ALA A 2 37.709 8.766 29.008 1.00 0.00 C ATOM 0 H ALA A 2 37.674 9.337 26.092 1.00 0.00 H new ATOM 0 HA ALA A 2 37.497 6.996 27.823 1.00 0.00 H new ATOM 0 HB1 ALA A 2 37.099 8.370 29.820 1.00 0.00 H new ATOM 0 HB2 ALA A 2 38.762 8.587 29.226 1.00 0.00 H new ATOM 0 HB3 ALA A 2 37.535 9.838 28.912 1.00 0.00 H new ATOM 25 N ALA A 3 34.935 7.732 28.087 1.00 0.00 N ATOM 26 CA ALA A 3 33.494 7.870 27.926 1.00 0.00 C ATOM 27 C ALA A 3 32.848 7.540 29.273 1.00 0.00 C ATOM 28 O ALA A 3 33.458 6.837 30.080 1.00 0.00 O ATOM 29 CB ALA A 3 32.992 6.902 26.845 1.00 0.00 C ATOM 0 H ALA A 3 35.183 7.105 28.853 1.00 0.00 H new ATOM 0 HA ALA A 3 33.235 8.883 27.617 1.00 0.00 H new ATOM 0 HB1 ALA A 3 31.914 7.012 26.731 1.00 0.00 H new ATOM 0 HB2 ALA A 3 33.482 7.128 25.898 1.00 0.00 H new ATOM 0 HB3 ALA A 3 33.224 5.878 27.138 1.00 0.00 H new ATOM 35 N SER A 4 31.610 7.982 29.493 1.00 0.00 N ATOM 36 CA SER A 4 30.881 7.742 30.735 1.00 0.00 C ATOM 37 C SER A 4 29.372 7.649 30.452 1.00 0.00 C ATOM 38 O SER A 4 28.643 8.607 30.723 1.00 0.00 O ATOM 39 CB SER A 4 31.247 8.849 31.739 1.00 0.00 C ATOM 40 OG SER A 4 31.075 10.134 31.168 1.00 0.00 O ATOM 0 H SER A 4 31.082 8.521 28.807 1.00 0.00 H new ATOM 0 HA SER A 4 31.164 6.787 31.178 1.00 0.00 H new ATOM 0 HB2 SER A 4 30.624 8.757 32.629 1.00 0.00 H new ATOM 0 HB3 SER A 4 32.282 8.726 32.059 1.00 0.00 H new ATOM 0 HG SER A 4 30.185 10.195 30.763 1.00 0.00 H new ATOM 46 N PRO A 5 28.889 6.552 29.842 1.00 0.00 N ATOM 47 CA PRO A 5 27.472 6.381 29.547 1.00 0.00 C ATOM 48 C PRO A 5 26.690 6.043 30.827 1.00 0.00 C ATOM 49 O PRO A 5 27.271 5.704 31.857 1.00 0.00 O ATOM 50 CB PRO A 5 27.429 5.224 28.545 1.00 0.00 C ATOM 51 CG PRO A 5 28.601 4.346 28.985 1.00 0.00 C ATOM 52 CD PRO A 5 29.640 5.362 29.462 1.00 0.00 C ATOM 0 HA PRO A 5 27.013 7.285 29.146 1.00 0.00 H new ATOM 0 HB2 PRO A 5 26.482 4.686 28.590 1.00 0.00 H new ATOM 0 HB3 PRO A 5 27.549 5.573 27.519 1.00 0.00 H new ATOM 0 HG2 PRO A 5 28.313 3.660 29.782 1.00 0.00 H new ATOM 0 HG3 PRO A 5 28.980 3.739 28.163 1.00 0.00 H new ATOM 0 HD2 PRO A 5 30.208 4.972 30.307 1.00 0.00 H new ATOM 0 HD3 PRO A 5 30.357 5.588 28.672 1.00 0.00 H new ATOM 60 N SER A 6 25.361 6.124 30.770 1.00 0.00 N ATOM 61 CA SER A 6 24.470 5.818 31.883 1.00 0.00 C ATOM 62 C SER A 6 23.099 5.433 31.311 1.00 0.00 C ATOM 63 O SER A 6 22.810 5.729 30.147 1.00 0.00 O ATOM 64 CB SER A 6 24.403 7.013 32.850 1.00 0.00 C ATOM 65 OG SER A 6 24.244 8.246 32.172 1.00 0.00 O ATOM 0 H SER A 6 24.864 6.412 29.927 1.00 0.00 H new ATOM 0 HA SER A 6 24.843 4.975 32.465 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.572 6.872 33.541 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.314 7.045 33.448 1.00 0.00 H new ATOM 0 HG SER A 6 24.205 8.976 32.825 1.00 0.00 H new ATOM 71 N ALA A 7 22.252 4.772 32.107 1.00 0.00 N ATOM 72 CA ALA A 7 20.920 4.338 31.702 1.00 0.00 C ATOM 73 C ALA A 7 19.991 4.412 32.914 1.00 0.00 C ATOM 74 O ALA A 7 19.815 3.433 33.636 1.00 0.00 O ATOM 75 CB ALA A 7 20.982 2.925 31.108 1.00 0.00 C ATOM 0 H ALA A 7 22.482 4.521 33.069 1.00 0.00 H new ATOM 0 HA ALA A 7 20.526 4.992 30.924 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.982 2.612 30.809 1.00 0.00 H new ATOM 0 HB2 ALA A 7 21.638 2.925 30.237 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.371 2.233 31.855 1.00 0.00 H new ATOM 81 N LEU A 8 19.388 5.582 33.135 1.00 0.00 N ATOM 82 CA LEU A 8 18.466 5.861 34.249 1.00 0.00 C ATOM 83 C LEU A 8 17.141 6.444 33.746 1.00 0.00 C ATOM 84 O LEU A 8 16.451 7.207 34.419 1.00 0.00 O ATOM 85 CB LEU A 8 19.144 6.834 35.219 1.00 0.00 C ATOM 86 CG LEU A 8 20.421 6.316 35.910 1.00 0.00 C ATOM 87 CD1 LEU A 8 21.047 7.440 36.743 1.00 0.00 C ATOM 88 CD2 LEU A 8 20.141 5.113 36.819 1.00 0.00 C ATOM 0 H LEU A 8 19.529 6.389 32.528 1.00 0.00 H new ATOM 0 HA LEU A 8 18.235 4.926 34.760 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.393 7.745 34.675 1.00 0.00 H new ATOM 0 HB3 LEU A 8 18.424 7.110 35.989 1.00 0.00 H new ATOM 0 HG LEU A 8 21.107 5.992 35.127 1.00 0.00 H new ATOM 0 HD11 LEU A 8 21.950 7.072 37.231 1.00 0.00 H new ATOM 0 HD12 LEU A 8 21.302 8.277 36.092 1.00 0.00 H new ATOM 0 HD13 LEU A 8 20.336 7.772 37.499 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.071 4.784 37.283 1.00 0.00 H new ATOM 0 HD22 LEU A 8 19.430 5.400 37.594 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.723 4.299 36.227 1.00 0.00 H new ATOM 100 N LYS A 9 16.830 6.163 32.491 1.00 0.00 N ATOM 101 CA LYS A 9 15.639 6.605 31.769 1.00 0.00 C ATOM 102 C LYS A 9 14.367 5.879 32.226 1.00 0.00 C ATOM 103 O LYS A 9 13.612 5.388 31.389 1.00 0.00 O ATOM 104 CB LYS A 9 15.888 6.480 30.251 1.00 0.00 C ATOM 105 CG LYS A 9 16.956 7.443 29.698 1.00 0.00 C ATOM 106 CD LYS A 9 16.708 8.948 29.930 1.00 0.00 C ATOM 107 CE LYS A 9 15.625 9.607 29.058 1.00 0.00 C ATOM 108 NZ LYS A 9 14.254 9.078 29.239 1.00 0.00 N ATOM 0 H LYS A 9 17.437 5.585 31.910 1.00 0.00 H new ATOM 0 HA LYS A 9 15.459 7.654 32.004 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.189 5.456 30.028 1.00 0.00 H new ATOM 0 HB3 LYS A 9 14.950 6.658 29.726 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.916 7.182 30.144 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.047 7.273 28.625 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.438 9.092 30.976 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.647 9.478 29.767 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.614 10.676 29.269 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.905 9.491 28.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.563 9.832 29.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.096 8.291 28.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.139 8.739 30.215 1.00 0.00 H new ATOM 122 N GLY A 10 14.071 5.873 33.524 1.00 0.00 N ATOM 123 CA GLY A 10 12.886 5.234 34.088 1.00 0.00 C ATOM 124 C GLY A 10 11.649 6.129 33.972 1.00 0.00 C ATOM 125 O GLY A 10 10.885 6.230 34.930 1.00 0.00 O ATOM 0 H GLY A 10 14.660 6.321 34.226 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.702 4.291 33.574 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.065 4.996 35.136 1.00 0.00 H new ATOM 129 N VAL A 11 11.455 6.813 32.839 1.00 0.00 N ATOM 130 CA VAL A 11 10.328 7.707 32.594 1.00 0.00 C ATOM 131 C VAL A 11 10.026 7.718 31.092 1.00 0.00 C ATOM 132 O VAL A 11 10.947 7.896 30.285 1.00 0.00 O ATOM 133 CB VAL A 11 10.640 9.103 33.190 1.00 0.00 C ATOM 134 CG1 VAL A 11 11.958 9.730 32.696 1.00 0.00 C ATOM 135 CG2 VAL A 11 9.490 10.087 32.948 1.00 0.00 C ATOM 0 H VAL A 11 12.097 6.755 32.049 1.00 0.00 H new ATOM 0 HA VAL A 11 9.422 7.362 33.093 1.00 0.00 H new ATOM 0 HB VAL A 11 10.759 8.920 34.258 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.095 10.705 33.164 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.792 9.080 32.961 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.921 9.850 31.613 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.743 11.056 33.379 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.326 10.199 31.876 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.582 9.708 33.416 1.00 0.00 H new ATOM 145 N SER A 12 8.745 7.602 30.728 1.00 0.00 N ATOM 146 CA SER A 12 8.224 7.567 29.361 1.00 0.00 C ATOM 147 C SER A 12 7.443 8.820 28.945 1.00 0.00 C ATOM 148 O SER A 12 6.777 8.817 27.912 1.00 0.00 O ATOM 149 CB SER A 12 7.393 6.287 29.195 1.00 0.00 C ATOM 150 OG SER A 12 6.607 6.029 30.346 1.00 0.00 O ATOM 0 H SER A 12 8.001 7.526 31.422 1.00 0.00 H new ATOM 0 HA SER A 12 9.076 7.558 28.681 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.745 6.382 28.324 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.056 5.442 29.008 1.00 0.00 H new ATOM 0 HG SER A 12 6.088 5.209 30.210 1.00 0.00 H new ATOM 156 N GLN A 13 7.521 9.893 29.733 1.00 0.00 N ATOM 157 CA GLN A 13 6.847 11.163 29.464 1.00 0.00 C ATOM 158 C GLN A 13 7.158 11.628 28.032 1.00 0.00 C ATOM 159 O GLN A 13 6.252 11.867 27.233 1.00 0.00 O ATOM 160 CB GLN A 13 7.280 12.201 30.519 1.00 0.00 C ATOM 161 CG GLN A 13 6.646 11.975 31.902 1.00 0.00 C ATOM 162 CD GLN A 13 5.148 12.265 31.897 1.00 0.00 C ATOM 163 OE1 GLN A 13 4.726 13.412 31.761 1.00 0.00 O ATOM 164 NE2 GLN A 13 4.311 11.254 32.038 1.00 0.00 N ATOM 0 H GLN A 13 8.067 9.903 30.595 1.00 0.00 H new ATOM 0 HA GLN A 13 5.766 11.040 29.537 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.365 12.175 30.618 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.015 13.198 30.166 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.815 10.945 32.214 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.137 12.615 32.635 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.671 10.306 32.150 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.305 11.421 32.035 1.00 0.00 H new ATOM 173 N ALA A 14 8.442 11.693 27.671 1.00 0.00 N ATOM 174 CA ALA A 14 8.865 12.113 26.344 1.00 0.00 C ATOM 175 C ALA A 14 8.357 11.161 25.265 1.00 0.00 C ATOM 176 O ALA A 14 8.042 11.589 24.159 1.00 0.00 O ATOM 177 CB ALA A 14 10.388 12.191 26.278 1.00 0.00 C ATOM 0 H ALA A 14 9.213 11.455 28.295 1.00 0.00 H new ATOM 0 HA ALA A 14 8.437 13.098 26.159 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.693 12.506 25.280 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.748 12.912 27.012 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.812 11.211 26.494 1.00 0.00 H new ATOM 183 N LEU A 15 8.289 9.859 25.555 1.00 0.00 N ATOM 184 CA LEU A 15 7.822 8.866 24.591 1.00 0.00 C ATOM 185 C LEU A 15 6.344 9.093 24.261 1.00 0.00 C ATOM 186 O LEU A 15 5.911 8.700 23.179 1.00 0.00 O ATOM 187 CB LEU A 15 8.087 7.428 25.080 1.00 0.00 C ATOM 188 CG LEU A 15 9.541 6.921 24.956 1.00 0.00 C ATOM 189 CD1 LEU A 15 9.997 6.831 23.493 1.00 0.00 C ATOM 190 CD2 LEU A 15 10.557 7.758 25.746 1.00 0.00 C ATOM 0 H LEU A 15 8.555 9.468 26.459 1.00 0.00 H new ATOM 0 HA LEU A 15 8.394 8.992 23.672 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.790 7.362 26.127 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.440 6.752 24.521 1.00 0.00 H new ATOM 0 HG LEU A 15 9.519 5.923 25.395 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.025 6.470 23.454 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.349 6.141 22.952 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.941 7.818 23.033 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.555 7.342 25.611 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.541 8.786 25.385 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.297 7.741 26.805 1.00 0.00 H new ATOM 202 N LEU A 16 5.575 9.734 25.144 1.00 0.00 N ATOM 203 CA LEU A 16 4.160 10.023 24.929 1.00 0.00 C ATOM 204 C LEU A 16 3.965 11.398 24.284 1.00 0.00 C ATOM 205 O LEU A 16 3.046 11.574 23.483 1.00 0.00 O ATOM 206 CB LEU A 16 3.398 9.956 26.263 1.00 0.00 C ATOM 207 CG LEU A 16 3.264 8.528 26.828 1.00 0.00 C ATOM 208 CD1 LEU A 16 2.650 8.594 28.231 1.00 0.00 C ATOM 209 CD2 LEU A 16 2.388 7.643 25.932 1.00 0.00 C ATOM 0 H LEU A 16 5.925 10.071 26.041 1.00 0.00 H new ATOM 0 HA LEU A 16 3.763 9.270 24.248 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.909 10.581 26.995 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.402 10.377 26.124 1.00 0.00 H new ATOM 0 HG LEU A 16 4.260 8.086 26.868 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.554 7.586 28.634 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.294 9.185 28.882 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.665 9.058 28.176 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.318 6.645 26.364 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.391 8.076 25.856 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.832 7.578 24.939 1.00 0.00 H new ATOM 221 N GLU A 17 4.825 12.373 24.586 1.00 0.00 N ATOM 222 CA GLU A 17 4.700 13.722 24.027 1.00 0.00 C ATOM 223 C GLU A 17 5.303 13.807 22.620 1.00 0.00 C ATOM 224 O GLU A 17 4.830 14.562 21.771 1.00 0.00 O ATOM 225 CB GLU A 17 5.301 14.748 25.012 1.00 0.00 C ATOM 226 CG GLU A 17 6.810 14.965 24.815 1.00 0.00 C ATOM 227 CD GLU A 17 7.587 15.548 25.997 1.00 0.00 C ATOM 228 OE1 GLU A 17 7.016 15.763 27.089 1.00 0.00 O ATOM 229 OE2 GLU A 17 8.816 15.730 25.810 1.00 0.00 O ATOM 0 H GLU A 17 5.618 12.253 25.216 1.00 0.00 H new ATOM 0 HA GLU A 17 3.645 13.966 23.903 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.785 15.701 24.894 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.119 14.412 26.033 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.259 14.007 24.554 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.949 15.626 23.959 1.00 0.00 H new ATOM 236 N ARG A 18 6.329 12.999 22.328 1.00 0.00 N ATOM 237 CA ARG A 18 6.979 13.015 21.024 1.00 0.00 C ATOM 238 C ARG A 18 6.073 12.520 19.905 1.00 0.00 C ATOM 239 O ARG A 18 6.356 12.828 18.755 1.00 0.00 O ATOM 240 CB ARG A 18 8.307 12.252 21.066 1.00 0.00 C ATOM 241 CG ARG A 18 8.148 10.720 21.025 1.00 0.00 C ATOM 242 CD ARG A 18 9.505 10.020 21.087 1.00 0.00 C ATOM 243 NE ARG A 18 10.322 10.379 19.915 1.00 0.00 N ATOM 244 CZ ARG A 18 11.525 9.919 19.572 1.00 0.00 C ATOM 245 NH1 ARG A 18 12.068 8.909 20.243 1.00 0.00 N ATOM 246 NH2 ARG A 18 12.165 10.488 18.557 1.00 0.00 N ATOM 0 H ARG A 18 6.724 12.325 22.984 1.00 0.00 H new ATOM 0 HA ARG A 18 7.197 14.057 20.790 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.922 12.566 20.223 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.845 12.528 21.973 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.529 10.394 21.861 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.628 10.430 20.112 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.026 10.303 22.002 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.363 8.940 21.122 1.00 0.00 H new ATOM 0 HE ARG A 18 9.914 11.069 19.284 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.564 8.485 21.022 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.989 8.558 19.979 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.735 11.264 18.054 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.086 10.149 18.281 1.00 0.00 H new ATOM 260 N ILE A 19 5.013 11.779 20.232 1.00 0.00 N ATOM 261 CA ILE A 19 4.031 11.225 19.314 1.00 0.00 C ATOM 262 C ILE A 19 3.519 12.370 18.434 1.00 0.00 C ATOM 263 O ILE A 19 3.749 12.346 17.228 1.00 0.00 O ATOM 264 CB ILE A 19 2.931 10.492 20.121 1.00 0.00 C ATOM 265 CG1 ILE A 19 3.529 9.347 20.969 1.00 0.00 C ATOM 266 CG2 ILE A 19 1.798 9.978 19.223 1.00 0.00 C ATOM 267 CD1 ILE A 19 2.508 8.584 21.821 1.00 0.00 C ATOM 0 H ILE A 19 4.810 11.539 21.202 1.00 0.00 H new ATOM 0 HA ILE A 19 4.455 10.472 18.650 1.00 0.00 H new ATOM 0 HB ILE A 19 2.494 11.225 20.799 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.027 8.642 20.304 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.294 9.760 21.626 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.051 9.471 19.834 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.335 10.818 18.705 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.203 9.279 18.491 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.016 7.800 22.382 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.026 9.273 22.515 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.755 8.137 21.172 1.00 0.00 H new ATOM 279 N ARG A 20 2.860 13.392 19.005 1.00 0.00 N ATOM 280 CA ARG A 20 2.370 14.516 18.195 1.00 0.00 C ATOM 281 C ARG A 20 3.546 15.208 17.509 1.00 0.00 C ATOM 282 O ARG A 20 3.416 15.652 16.366 1.00 0.00 O ATOM 283 CB ARG A 20 1.534 15.492 19.049 1.00 0.00 C ATOM 284 CG ARG A 20 0.906 16.639 18.228 1.00 0.00 C ATOM 285 CD ARG A 20 1.779 17.901 18.150 1.00 0.00 C ATOM 286 NE ARG A 20 1.384 18.790 17.038 1.00 0.00 N ATOM 287 CZ ARG A 20 1.309 20.131 17.070 1.00 0.00 C ATOM 288 NH1 ARG A 20 1.339 20.805 18.212 1.00 0.00 N ATOM 289 NH2 ARG A 20 1.222 20.825 15.944 1.00 0.00 N ATOM 0 H ARG A 20 2.658 13.462 20.002 1.00 0.00 H new ATOM 0 HA ARG A 20 1.705 14.136 17.419 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.741 14.937 19.551 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.168 15.917 19.828 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.709 16.283 17.217 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.057 16.902 18.667 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.709 18.447 19.091 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.822 17.611 18.027 1.00 0.00 H new ATOM 0 HE ARG A 20 1.143 18.339 16.155 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.421 20.305 19.097 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.280 21.823 18.205 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.212 20.341 15.046 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.165 21.843 15.975 1.00 0.00 H new ATOM 303 N ALA A 21 4.696 15.305 18.187 1.00 0.00 N ATOM 304 CA ALA A 21 5.873 15.939 17.616 1.00 0.00 C ATOM 305 C ALA A 21 6.343 15.249 16.328 1.00 0.00 C ATOM 306 O ALA A 21 7.021 15.907 15.544 1.00 0.00 O ATOM 307 CB ALA A 21 7.012 16.049 18.631 1.00 0.00 C ATOM 0 H ALA A 21 4.829 14.949 19.134 1.00 0.00 H new ATOM 0 HA ALA A 21 5.573 16.951 17.346 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.872 16.528 18.163 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.684 16.644 19.483 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.293 15.053 18.972 1.00 0.00 H new ATOM 313 N LYS A 22 5.992 13.983 16.051 1.00 0.00 N ATOM 314 CA LYS A 22 6.407 13.300 14.817 1.00 0.00 C ATOM 315 C LYS A 22 5.869 14.010 13.582 1.00 0.00 C ATOM 316 O LYS A 22 6.476 13.918 12.516 1.00 0.00 O ATOM 317 CB LYS A 22 6.040 11.818 14.824 1.00 0.00 C ATOM 318 CG LYS A 22 6.994 11.121 15.798 1.00 0.00 C ATOM 319 CD LYS A 22 6.820 9.619 15.795 1.00 0.00 C ATOM 320 CE LYS A 22 7.835 8.991 16.754 1.00 0.00 C ATOM 321 NZ LYS A 22 7.942 7.528 16.594 1.00 0.00 N ATOM 0 H LYS A 22 5.418 13.410 16.670 1.00 0.00 H new ATOM 0 HA LYS A 22 7.495 13.349 14.776 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.004 11.679 15.134 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.133 11.394 13.824 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.023 11.366 15.534 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.824 11.502 16.805 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.806 9.358 16.098 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.963 9.227 14.788 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.813 9.443 16.588 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.548 9.220 17.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.642 7.155 17.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.017 7.090 16.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.242 7.306 15.623 1.00 0.00 H new ATOM 335 N GLU A 23 4.768 14.749 13.702 1.00 0.00 N ATOM 336 CA GLU A 23 4.214 15.483 12.574 1.00 0.00 C ATOM 337 C GLU A 23 4.798 16.910 12.558 1.00 0.00 C ATOM 338 O GLU A 23 4.741 17.582 11.527 1.00 0.00 O ATOM 339 CB GLU A 23 2.678 15.477 12.642 1.00 0.00 C ATOM 340 CG GLU A 23 2.053 14.075 12.788 1.00 0.00 C ATOM 341 CD GLU A 23 2.412 13.093 11.663 1.00 0.00 C ATOM 342 OE1 GLU A 23 1.979 13.303 10.502 1.00 0.00 O ATOM 343 OE2 GLU A 23 3.048 12.050 11.936 1.00 0.00 O ATOM 0 H GLU A 23 4.244 14.853 14.571 1.00 0.00 H new ATOM 0 HA GLU A 23 4.491 15.000 11.637 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.361 16.092 13.484 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.285 15.945 11.740 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.370 13.648 13.740 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.969 14.178 12.830 1.00 0.00 H new ATOM 350 N VAL A 24 5.378 17.374 13.677 1.00 0.00 N ATOM 351 CA VAL A 24 5.985 18.697 13.834 1.00 0.00 C ATOM 352 C VAL A 24 7.403 18.683 13.281 1.00 0.00 C ATOM 353 O VAL A 24 7.750 19.505 12.440 1.00 0.00 O ATOM 354 CB VAL A 24 5.908 19.204 15.293 1.00 0.00 C ATOM 355 CG1 VAL A 24 6.422 20.647 15.420 1.00 0.00 C ATOM 356 CG2 VAL A 24 4.463 19.172 15.814 1.00 0.00 C ATOM 0 H VAL A 24 5.437 16.813 14.527 1.00 0.00 H new ATOM 0 HA VAL A 24 5.410 19.417 13.252 1.00 0.00 H new ATOM 0 HB VAL A 24 6.537 18.537 15.883 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.352 20.968 16.459 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.461 20.693 15.095 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.817 21.305 14.796 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.439 19.534 16.842 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.837 19.810 15.190 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.087 18.150 15.780 1.00 0.00 H new ATOM 366 N GLN A 25 8.214 17.709 13.684 1.00 0.00 N ATOM 367 CA GLN A 25 9.588 17.527 13.224 1.00 0.00 C ATOM 368 C GLN A 25 9.655 17.387 11.693 1.00 0.00 C ATOM 369 O GLN A 25 10.746 17.445 11.128 1.00 0.00 O ATOM 370 CB GLN A 25 10.203 16.314 13.938 1.00 0.00 C ATOM 371 CG GLN A 25 9.371 15.035 13.729 1.00 0.00 C ATOM 372 CD GLN A 25 9.927 13.998 12.750 1.00 0.00 C ATOM 373 OE1 GLN A 25 10.705 14.376 11.752 1.00 0.00 O flip ATOM 374 NE2 GLN A 25 9.599 12.817 12.852 1.00 0.00 N flip ATOM 0 H GLN A 25 7.925 17.003 14.361 1.00 0.00 H new ATOM 0 HA GLN A 25 10.170 18.413 13.476 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.216 16.152 13.569 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.283 16.524 15.005 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.243 14.552 14.698 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.379 15.328 13.385 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.998 12.519 13.621 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.928 12.136 12.168 1.00 0.00 H new ATOM 383 N LYS A 26 8.528 17.119 11.020 1.00 0.00 N ATOM 384 CA LYS A 26 8.475 17.018 9.571 1.00 0.00 C ATOM 385 C LYS A 26 8.478 18.457 9.056 1.00 0.00 C ATOM 386 O LYS A 26 9.436 18.854 8.411 1.00 0.00 O ATOM 387 CB LYS A 26 7.261 16.204 9.101 1.00 0.00 C ATOM 388 CG LYS A 26 7.374 15.998 7.583 1.00 0.00 C ATOM 389 CD LYS A 26 6.290 15.088 6.997 1.00 0.00 C ATOM 390 CE LYS A 26 6.482 13.623 7.415 1.00 0.00 C ATOM 391 NZ LYS A 26 5.320 12.807 7.018 1.00 0.00 N ATOM 0 H LYS A 26 7.628 16.967 11.475 1.00 0.00 H new ATOM 0 HA LYS A 26 9.329 16.472 9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.228 15.242 9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.336 16.727 9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.325 16.969 7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.352 15.574 7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.310 15.433 7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.305 15.160 5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.386 13.224 6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.622 13.564 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.472 11.821 7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.463 13.176 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.204 12.848 5.985 1.00 0.00 H new ATOM 405 N GLN A 27 7.458 19.256 9.405 1.00 0.00 N ATOM 406 CA GLN A 27 7.348 20.663 8.994 1.00 0.00 C ATOM 407 C GLN A 27 8.546 21.508 9.452 1.00 0.00 C ATOM 408 O GLN A 27 8.833 22.556 8.872 1.00 0.00 O ATOM 409 CB GLN A 27 6.000 21.262 9.420 1.00 0.00 C ATOM 410 CG GLN A 27 5.711 21.188 10.926 1.00 0.00 C ATOM 411 CD GLN A 27 4.363 21.761 11.358 1.00 0.00 C ATOM 412 OE1 GLN A 27 4.004 21.709 12.535 1.00 0.00 O ATOM 413 NE2 GLN A 27 3.564 22.310 10.465 1.00 0.00 N ATOM 0 H GLN A 27 6.680 18.941 9.985 1.00 0.00 H new ATOM 0 HA GLN A 27 7.377 20.685 7.905 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.967 22.306 9.109 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.203 20.745 8.885 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.761 20.145 11.239 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.501 21.719 11.458 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.850 22.359 9.487 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.660 22.686 10.752 1.00 0.00 H new ATOM 422 N LEU A 28 9.259 21.047 10.479 1.00 0.00 N ATOM 423 CA LEU A 28 10.454 21.673 11.026 1.00 0.00 C ATOM 424 C LEU A 28 11.595 21.651 9.988 1.00 0.00 C ATOM 425 O LEU A 28 12.537 22.436 10.101 1.00 0.00 O ATOM 426 CB LEU A 28 10.860 20.875 12.278 1.00 0.00 C ATOM 427 CG LEU A 28 11.908 21.531 13.194 1.00 0.00 C ATOM 428 CD1 LEU A 28 11.295 22.716 13.944 1.00 0.00 C ATOM 429 CD2 LEU A 28 12.369 20.495 14.225 1.00 0.00 C ATOM 0 H LEU A 28 9.006 20.190 10.971 1.00 0.00 H new ATOM 0 HA LEU A 28 10.257 22.714 11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.963 20.683 12.867 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.244 19.907 11.957 1.00 0.00 H new ATOM 0 HG LEU A 28 12.743 21.882 12.587 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.049 23.169 14.587 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.939 23.455 13.227 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.460 22.369 14.553 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.113 20.943 14.884 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.515 20.164 14.815 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.808 19.640 13.711 1.00 0.00 H new ATOM 441 N ALA A 29 11.520 20.786 8.966 1.00 0.00 N ATOM 442 CA ALA A 29 12.518 20.637 7.921 1.00 0.00 C ATOM 443 C ALA A 29 11.897 20.690 6.521 1.00 0.00 C ATOM 444 O ALA A 29 10.985 19.942 6.166 1.00 0.00 O ATOM 445 CB ALA A 29 13.262 19.314 8.125 1.00 0.00 C ATOM 0 H ALA A 29 10.730 20.152 8.849 1.00 0.00 H new ATOM 0 HA ALA A 29 13.215 21.472 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.013 19.195 7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.749 19.317 9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.554 18.487 8.076 1.00 0.00 H new ATOM 451 N ARG A 30 12.470 21.543 5.675 1.00 0.00 N ATOM 452 CA ARG A 30 12.073 21.749 4.277 1.00 0.00 C ATOM 453 C ARG A 30 12.604 20.649 3.346 1.00 0.00 C ATOM 454 O ARG A 30 12.379 20.667 2.139 1.00 0.00 O ATOM 455 CB ARG A 30 12.464 23.174 3.831 1.00 0.00 C ATOM 456 CG ARG A 30 13.872 23.630 4.261 1.00 0.00 C ATOM 457 CD ARG A 30 14.123 25.077 3.836 1.00 0.00 C ATOM 458 NE ARG A 30 15.403 25.585 4.359 1.00 0.00 N ATOM 459 CZ ARG A 30 16.571 25.609 3.712 1.00 0.00 C ATOM 460 NH1 ARG A 30 16.685 25.136 2.479 1.00 0.00 N ATOM 461 NH2 ARG A 30 17.633 26.112 4.320 1.00 0.00 N ATOM 0 H ARG A 30 13.254 22.134 5.951 1.00 0.00 H new ATOM 0 HA ARG A 30 10.989 21.666 4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.397 23.229 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.733 23.877 4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 30 13.975 23.540 5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 30 14.623 22.979 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.123 25.142 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.308 25.707 4.193 1.00 0.00 H new ATOM 0 HE ARG A 30 15.397 25.955 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 30 15.871 24.744 2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.587 25.164 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.553 26.475 5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.532 26.137 3.839 1.00 0.00 H new ATOM 475 N MET A 31 13.281 19.657 3.916 1.00 0.00 N ATOM 476 CA MET A 31 13.912 18.482 3.303 1.00 0.00 C ATOM 477 C MET A 31 12.926 17.334 3.055 1.00 0.00 C ATOM 478 O MET A 31 13.274 16.162 2.944 1.00 0.00 O ATOM 479 CB MET A 31 14.965 17.983 4.295 1.00 0.00 C ATOM 480 CG MET A 31 16.081 18.988 4.626 1.00 0.00 C ATOM 481 SD MET A 31 17.091 18.585 6.083 1.00 0.00 S ATOM 482 CE MET A 31 17.908 17.066 5.523 1.00 0.00 C ATOM 0 H MET A 31 13.418 19.652 4.927 1.00 0.00 H new ATOM 0 HA MET A 31 14.323 18.775 2.337 1.00 0.00 H new ATOM 0 HB2 MET A 31 14.464 17.703 5.222 1.00 0.00 H new ATOM 0 HB3 MET A 31 15.420 17.078 3.892 1.00 0.00 H new ATOM 0 HG2 MET A 31 16.739 19.071 3.761 1.00 0.00 H new ATOM 0 HG3 MET A 31 15.630 19.968 4.778 1.00 0.00 H new ATOM 0 HE1 MET A 31 18.564 16.694 6.310 1.00 0.00 H new ATOM 0 HE2 MET A 31 17.155 16.312 5.292 1.00 0.00 H new ATOM 0 HE3 MET A 31 18.496 17.277 4.630 1.00 0.00 H new ATOM 492 N THR A 32 11.653 17.659 3.027 1.00 0.00 N ATOM 493 CA THR A 32 10.536 16.736 2.847 1.00 0.00 C ATOM 494 C THR A 32 9.484 17.319 1.886 1.00 0.00 C ATOM 495 O THR A 32 9.721 18.355 1.268 1.00 0.00 O ATOM 496 CB THR A 32 10.056 16.424 4.281 1.00 0.00 C ATOM 497 OG1 THR A 32 11.131 15.828 4.988 1.00 0.00 O ATOM 498 CG2 THR A 32 8.860 15.481 4.396 1.00 0.00 C ATOM 0 H THR A 32 11.344 18.625 3.134 1.00 0.00 H new ATOM 0 HA THR A 32 10.801 15.801 2.353 1.00 0.00 H new ATOM 0 HB THR A 32 9.729 17.381 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.847 15.623 5.903 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.612 15.335 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.004 15.914 3.878 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.109 14.521 3.945 1.00 0.00 H new ATOM 506 N ARG A 33 8.358 16.622 1.679 1.00 0.00 N ATOM 507 CA ARG A 33 7.228 17.005 0.821 1.00 0.00 C ATOM 508 C ARG A 33 7.498 17.071 -0.672 1.00 0.00 C ATOM 509 O ARG A 33 6.769 17.722 -1.420 1.00 0.00 O ATOM 510 CB ARG A 33 6.543 18.278 1.341 1.00 0.00 C ATOM 511 CG ARG A 33 6.180 18.164 2.821 1.00 0.00 C ATOM 512 CD ARG A 33 5.003 19.093 3.157 1.00 0.00 C ATOM 513 NE ARG A 33 4.513 18.904 4.532 1.00 0.00 N ATOM 514 CZ ARG A 33 3.833 17.854 5.006 1.00 0.00 C ATOM 515 NH1 ARG A 33 3.584 16.800 4.244 1.00 0.00 N ATOM 516 NH2 ARG A 33 3.401 17.856 6.257 1.00 0.00 N ATOM 0 H ARG A 33 8.202 15.722 2.133 1.00 0.00 H new ATOM 0 HA ARG A 33 6.539 16.164 0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.204 19.132 1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.641 18.469 0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.917 17.133 3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.043 18.423 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.313 20.130 3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.189 18.911 2.456 1.00 0.00 H new ATOM 0 HE ARG A 33 4.713 19.654 5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.912 16.780 3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.064 16.008 4.623 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.587 18.658 6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.882 17.056 6.619 1.00 0.00 H new ATOM 530 N CYS A 34 8.565 16.415 -1.082 1.00 0.00 N ATOM 531 CA CYS A 34 9.028 16.320 -2.463 1.00 0.00 C ATOM 532 C CYS A 34 9.867 15.052 -2.613 1.00 0.00 C ATOM 533 O CYS A 34 9.412 14.140 -3.304 1.00 0.00 O ATOM 534 CB CYS A 34 9.808 17.568 -2.899 1.00 0.00 C ATOM 535 SG CYS A 34 8.712 18.874 -3.519 1.00 0.00 S ATOM 0 H CYS A 34 9.166 15.907 -0.434 1.00 0.00 H new ATOM 0 HA CYS A 34 8.162 16.264 -3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.384 17.948 -2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.523 17.296 -3.676 1.00 0.00 H new ATOM 0 HG CYS A 34 7.589 18.845 -2.865 1.00 0.00 H new ATOM 541 N PRO A 35 11.045 14.939 -1.964 1.00 0.00 N ATOM 542 CA PRO A 35 11.854 13.738 -2.087 1.00 0.00 C ATOM 543 C PRO A 35 11.091 12.573 -1.463 1.00 0.00 C ATOM 544 O PRO A 35 10.810 11.582 -2.131 1.00 0.00 O ATOM 545 CB PRO A 35 13.160 14.034 -1.351 1.00 0.00 C ATOM 546 CG PRO A 35 12.833 15.174 -0.388 1.00 0.00 C ATOM 547 CD PRO A 35 11.711 15.917 -1.108 1.00 0.00 C ATOM 0 HA PRO A 35 12.068 13.466 -3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.516 13.155 -0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.947 14.322 -2.048 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.512 14.802 0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.696 15.816 -0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 35 11.010 16.347 -0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 35 12.109 16.742 -1.699 1.00 0.00 H new ATOM 555 N GLU A 36 10.635 12.780 -0.225 1.00 0.00 N ATOM 556 CA GLU A 36 9.886 11.845 0.614 1.00 0.00 C ATOM 557 C GLU A 36 8.603 11.298 -0.041 1.00 0.00 C ATOM 558 O GLU A 36 7.975 10.384 0.495 1.00 0.00 O ATOM 559 CB GLU A 36 9.562 12.552 1.939 1.00 0.00 C ATOM 560 CG GLU A 36 10.692 12.501 2.977 1.00 0.00 C ATOM 561 CD GLU A 36 10.489 11.386 4.009 1.00 0.00 C ATOM 562 OE1 GLU A 36 9.524 11.486 4.807 1.00 0.00 O ATOM 563 OE2 GLU A 36 11.297 10.432 4.031 1.00 0.00 O ATOM 0 H GLU A 36 10.791 13.669 0.250 1.00 0.00 H new ATOM 0 HA GLU A 36 10.512 10.968 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.322 13.595 1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.669 12.099 2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.644 12.351 2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.753 13.461 3.490 1.00 0.00 H new ATOM 570 N GLN A 37 8.156 11.878 -1.157 1.00 0.00 N ATOM 571 CA GLN A 37 6.974 11.431 -1.876 1.00 0.00 C ATOM 572 C GLN A 37 7.224 10.035 -2.469 1.00 0.00 C ATOM 573 O GLN A 37 6.263 9.318 -2.722 1.00 0.00 O ATOM 574 CB GLN A 37 6.654 12.455 -2.969 1.00 0.00 C ATOM 575 CG GLN A 37 5.319 12.209 -3.686 1.00 0.00 C ATOM 576 CD GLN A 37 4.990 13.289 -4.715 1.00 0.00 C ATOM 577 OE1 GLN A 37 3.859 13.758 -4.794 1.00 0.00 O ATOM 578 NE2 GLN A 37 5.934 13.700 -5.544 1.00 0.00 N ATOM 0 H GLN A 37 8.615 12.681 -1.587 1.00 0.00 H new ATOM 0 HA GLN A 37 6.120 11.355 -1.202 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.638 13.451 -2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.457 12.447 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.352 11.239 -4.182 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.519 12.162 -2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.875 13.311 -5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.722 14.406 -6.249 1.00 0.00 H new ATOM 587 N GLU A 38 8.484 9.619 -2.654 1.00 0.00 N ATOM 588 CA GLU A 38 8.852 8.310 -3.196 1.00 0.00 C ATOM 589 C GLU A 38 8.134 7.190 -2.446 1.00 0.00 C ATOM 590 O GLU A 38 7.499 6.333 -3.050 1.00 0.00 O ATOM 591 CB GLU A 38 10.382 8.125 -3.150 1.00 0.00 C ATOM 592 CG GLU A 38 11.025 8.258 -1.749 1.00 0.00 C ATOM 593 CD GLU A 38 12.545 8.444 -1.781 1.00 0.00 C ATOM 594 OE1 GLU A 38 13.031 9.401 -2.420 1.00 0.00 O ATOM 595 OE2 GLU A 38 13.280 7.621 -1.185 1.00 0.00 O ATOM 0 H GLU A 38 9.292 10.198 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 38 8.535 8.262 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.624 7.140 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.840 8.860 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.575 9.106 -1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.790 7.368 -1.166 1.00 0.00 H new ATOM 602 N LEU A 39 8.163 7.249 -1.115 1.00 0.00 N ATOM 603 CA LEU A 39 7.549 6.274 -0.225 1.00 0.00 C ATOM 604 C LEU A 39 6.029 6.260 -0.391 1.00 0.00 C ATOM 605 O LEU A 39 5.390 5.249 -0.104 1.00 0.00 O ATOM 606 CB LEU A 39 7.880 6.633 1.245 1.00 0.00 C ATOM 607 CG LEU A 39 9.305 7.148 1.546 1.00 0.00 C ATOM 608 CD1 LEU A 39 9.420 7.619 2.996 1.00 0.00 C ATOM 609 CD2 LEU A 39 10.381 6.088 1.290 1.00 0.00 C ATOM 0 H LEU A 39 8.631 8.004 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 39 7.944 5.290 -0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.171 7.392 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.706 5.747 1.856 1.00 0.00 H new ATOM 0 HG LEU A 39 9.473 7.982 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.432 7.977 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.711 8.428 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.199 6.789 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.363 6.504 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.197 5.222 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.350 5.783 0.244 1.00 0.00 H new ATOM 621 N ARG A 40 5.419 7.402 -0.730 1.00 0.00 N ATOM 622 CA ARG A 40 3.976 7.491 -0.906 1.00 0.00 C ATOM 623 C ARG A 40 3.659 6.698 -2.159 1.00 0.00 C ATOM 624 O ARG A 40 2.904 5.741 -2.081 1.00 0.00 O ATOM 625 CB ARG A 40 3.476 8.950 -1.005 1.00 0.00 C ATOM 626 CG ARG A 40 3.306 9.679 0.338 1.00 0.00 C ATOM 627 CD ARG A 40 4.592 9.904 1.162 1.00 0.00 C ATOM 628 NE ARG A 40 4.543 9.264 2.487 1.00 0.00 N ATOM 629 CZ ARG A 40 3.642 9.431 3.467 1.00 0.00 C ATOM 630 NH1 ARG A 40 2.677 10.341 3.413 1.00 0.00 N ATOM 631 NH2 ARG A 40 3.717 8.653 4.538 1.00 0.00 N ATOM 0 H ARG A 40 5.913 8.281 -0.888 1.00 0.00 H new ATOM 0 HA ARG A 40 3.459 7.085 -0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.176 9.515 -1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.518 8.954 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.849 10.650 0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.603 9.112 0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.446 9.514 0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.755 10.975 1.287 1.00 0.00 H new ATOM 0 HE ARG A 40 5.295 8.605 2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.597 10.952 2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.015 10.429 4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.449 7.946 4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.043 8.762 5.296 1.00 0.00 H new ATOM 645 N LEU A 41 4.255 7.068 -3.292 1.00 0.00 N ATOM 646 CA LEU A 41 4.042 6.410 -4.578 1.00 0.00 C ATOM 647 C LEU A 41 4.322 4.911 -4.478 1.00 0.00 C ATOM 648 O LEU A 41 3.498 4.099 -4.898 1.00 0.00 O ATOM 649 CB LEU A 41 4.909 7.073 -5.663 1.00 0.00 C ATOM 650 CG LEU A 41 4.696 8.595 -5.788 1.00 0.00 C ATOM 651 CD1 LEU A 41 5.595 9.164 -6.885 1.00 0.00 C ATOM 652 CD2 LEU A 41 3.235 8.972 -6.051 1.00 0.00 C ATOM 0 H LEU A 41 4.911 7.848 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 41 2.996 6.527 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.959 6.880 -5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.692 6.605 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 41 4.966 9.033 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.436 10.239 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.639 8.969 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.353 8.690 -7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.147 10.056 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.903 8.513 -6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.614 8.616 -5.229 1.00 0.00 H new ATOM 664 N GLN A 42 5.462 4.541 -3.887 1.00 0.00 N ATOM 665 CA GLN A 42 5.873 3.156 -3.716 1.00 0.00 C ATOM 666 C GLN A 42 4.758 2.369 -3.015 1.00 0.00 C ATOM 667 O GLN A 42 4.439 1.262 -3.460 1.00 0.00 O ATOM 668 CB GLN A 42 7.230 3.110 -2.989 1.00 0.00 C ATOM 669 CG GLN A 42 7.848 1.708 -3.007 1.00 0.00 C ATOM 670 CD GLN A 42 9.211 1.647 -2.315 1.00 0.00 C ATOM 671 OE1 GLN A 42 9.339 2.042 -1.161 1.00 0.00 O ATOM 672 NE2 GLN A 42 10.241 1.104 -2.945 1.00 0.00 N ATOM 0 H GLN A 42 6.132 5.211 -3.510 1.00 0.00 H new ATOM 0 HA GLN A 42 6.025 2.670 -4.680 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.916 3.814 -3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.099 3.434 -1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.167 1.011 -2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.956 1.378 -4.040 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.136 0.775 -3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.140 1.015 -2.471 1.00 0.00 H new ATOM 681 N ARG A 43 4.154 2.908 -1.947 1.00 0.00 N ATOM 682 CA ARG A 43 3.065 2.207 -1.264 1.00 0.00 C ATOM 683 C ARG A 43 1.759 2.274 -2.068 1.00 0.00 C ATOM 684 O ARG A 43 1.047 1.273 -2.153 1.00 0.00 O ATOM 685 CB ARG A 43 2.859 2.786 0.149 1.00 0.00 C ATOM 686 CG ARG A 43 4.039 2.551 1.108 1.00 0.00 C ATOM 687 CD ARG A 43 4.345 1.069 1.268 1.00 0.00 C ATOM 688 NE ARG A 43 5.379 0.805 2.272 1.00 0.00 N ATOM 689 CZ ARG A 43 5.743 -0.429 2.615 1.00 0.00 C ATOM 690 NH1 ARG A 43 4.884 -1.435 2.487 1.00 0.00 N ATOM 691 NH2 ARG A 43 6.971 -0.640 3.061 1.00 0.00 N ATOM 0 H ARG A 43 4.398 3.813 -1.544 1.00 0.00 H new ATOM 0 HA ARG A 43 3.346 1.157 -1.178 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.681 3.858 0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.961 2.346 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.922 3.067 0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.808 2.983 2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.432 0.543 1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.666 0.664 0.308 1.00 0.00 H new ATOM 0 HE ARG A 43 5.837 1.596 2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.946 -1.262 2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.163 -2.380 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.626 0.138 3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.262 -1.581 3.327 1.00 0.00 H new ATOM 705 N LEU A 44 1.452 3.423 -2.674 1.00 0.00 N ATOM 706 CA LEU A 44 0.242 3.669 -3.457 1.00 0.00 C ATOM 707 C LEU A 44 0.105 2.759 -4.677 1.00 0.00 C ATOM 708 O LEU A 44 -1.025 2.571 -5.128 1.00 0.00 O ATOM 709 CB LEU A 44 0.121 5.157 -3.839 1.00 0.00 C ATOM 710 CG LEU A 44 -0.192 6.083 -2.643 1.00 0.00 C ATOM 711 CD1 LEU A 44 0.073 7.544 -3.025 1.00 0.00 C ATOM 712 CD2 LEU A 44 -1.642 5.952 -2.164 1.00 0.00 C ATOM 0 H LEU A 44 2.064 4.238 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.596 3.413 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.053 5.480 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.663 5.268 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 44 0.463 5.776 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.151 8.189 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.120 7.663 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.561 7.821 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.809 6.624 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.319 6.214 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.831 4.925 -1.851 1.00 0.00 H new ATOM 724 N GLU A 45 1.172 2.129 -5.182 1.00 0.00 N ATOM 725 CA GLU A 45 1.084 1.213 -6.330 1.00 0.00 C ATOM 726 C GLU A 45 0.148 0.019 -6.036 1.00 0.00 C ATOM 727 O GLU A 45 -0.326 -0.651 -6.961 1.00 0.00 O ATOM 728 CB GLU A 45 2.484 0.695 -6.708 1.00 0.00 C ATOM 729 CG GLU A 45 3.296 1.685 -7.555 1.00 0.00 C ATOM 730 CD GLU A 45 2.732 1.864 -8.970 1.00 0.00 C ATOM 731 OE1 GLU A 45 2.654 0.866 -9.734 1.00 0.00 O ATOM 732 OE2 GLU A 45 2.386 3.013 -9.338 1.00 0.00 O ATOM 0 H GLU A 45 2.116 2.237 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 45 0.665 1.774 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.038 0.470 -5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.380 -0.241 -7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.317 2.652 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.327 1.338 -7.622 1.00 0.00 H new ATOM 739 N ARG A 46 -0.133 -0.279 -4.758 1.00 0.00 N ATOM 740 CA ARG A 46 -1.029 -1.372 -4.384 1.00 0.00 C ATOM 741 C ARG A 46 -2.498 -0.941 -4.360 1.00 0.00 C ATOM 742 O ARG A 46 -3.350 -1.792 -4.122 1.00 0.00 O ATOM 743 CB ARG A 46 -0.582 -2.030 -3.068 1.00 0.00 C ATOM 744 CG ARG A 46 0.479 -3.097 -3.369 1.00 0.00 C ATOM 745 CD ARG A 46 0.829 -3.923 -2.130 1.00 0.00 C ATOM 746 NE ARG A 46 1.668 -3.168 -1.192 1.00 0.00 N ATOM 747 CZ ARG A 46 3.005 -3.191 -1.133 1.00 0.00 C ATOM 748 NH1 ARG A 46 3.750 -3.820 -2.036 1.00 0.00 N ATOM 749 NH2 ARG A 46 3.586 -2.568 -0.123 1.00 0.00 N ATOM 0 H ARG A 46 0.254 0.230 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.958 -2.132 -5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.176 -1.278 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.437 -2.482 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.115 -3.759 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.380 -2.615 -3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.088 -4.233 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.350 -4.831 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 46 1.187 -2.569 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.305 -4.310 -2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.767 -3.812 -1.953 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.018 -2.092 0.577 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.603 -2.563 -0.044 1.00 0.00 H new ATOM 763 N LEU A 47 -2.825 0.326 -4.637 1.00 0.00 N ATOM 764 CA LEU A 47 -4.200 0.832 -4.656 1.00 0.00 C ATOM 765 C LEU A 47 -5.130 -0.062 -5.490 1.00 0.00 C ATOM 766 O LEU A 47 -6.109 -0.575 -4.940 1.00 0.00 O ATOM 767 CB LEU A 47 -4.243 2.291 -5.154 1.00 0.00 C ATOM 768 CG LEU A 47 -4.226 3.325 -4.017 1.00 0.00 C ATOM 769 CD1 LEU A 47 -4.077 4.736 -4.595 1.00 0.00 C ATOM 770 CD2 LEU A 47 -5.508 3.208 -3.182 1.00 0.00 C ATOM 0 H LEU A 47 -2.130 1.039 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.567 0.809 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.390 2.469 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.142 2.436 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.374 3.129 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.066 5.463 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.144 4.803 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.915 4.947 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.487 3.944 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.374 3.389 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.574 2.207 -2.755 1.00 0.00 H new ATOM 782 N PRO A 48 -4.873 -0.284 -6.797 1.00 0.00 N ATOM 783 CA PRO A 48 -5.743 -1.139 -7.595 1.00 0.00 C ATOM 784 C PRO A 48 -5.638 -2.606 -7.162 1.00 0.00 C ATOM 785 O PRO A 48 -6.585 -3.353 -7.381 1.00 0.00 O ATOM 786 CB PRO A 48 -5.324 -0.924 -9.048 1.00 0.00 C ATOM 787 CG PRO A 48 -3.855 -0.531 -8.940 1.00 0.00 C ATOM 788 CD PRO A 48 -3.784 0.236 -7.621 1.00 0.00 C ATOM 0 HA PRO A 48 -6.794 -0.882 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.455 -1.829 -9.642 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -5.915 -0.142 -9.525 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.206 -1.406 -8.930 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.543 0.088 -9.781 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.820 0.087 -7.134 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.896 1.308 -7.786 1.00 0.00 H new ATOM 796 N GLU A 49 -4.523 -3.029 -6.557 1.00 0.00 N ATOM 797 CA GLU A 49 -4.309 -4.393 -6.082 1.00 0.00 C ATOM 798 C GLU A 49 -5.367 -4.680 -5.015 1.00 0.00 C ATOM 799 O GLU A 49 -6.128 -5.637 -5.143 1.00 0.00 O ATOM 800 CB GLU A 49 -2.875 -4.546 -5.526 1.00 0.00 C ATOM 801 CG GLU A 49 -2.077 -5.756 -6.026 1.00 0.00 C ATOM 802 CD GLU A 49 -2.681 -7.120 -5.719 1.00 0.00 C ATOM 803 OE1 GLU A 49 -3.522 -7.588 -6.519 1.00 0.00 O ATOM 804 OE2 GLU A 49 -2.245 -7.751 -4.722 1.00 0.00 O ATOM 0 H GLU A 49 -3.728 -2.415 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.409 -5.112 -6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.316 -3.643 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.934 -4.601 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.957 -5.667 -7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.079 -5.715 -5.590 1.00 0.00 H new ATOM 811 N LEU A 50 -5.444 -3.828 -3.984 1.00 0.00 N ATOM 812 CA LEU A 50 -6.403 -3.957 -2.891 1.00 0.00 C ATOM 813 C LEU A 50 -7.815 -3.984 -3.468 1.00 0.00 C ATOM 814 O LEU A 50 -8.561 -4.930 -3.224 1.00 0.00 O ATOM 815 CB LEU A 50 -6.255 -2.805 -1.867 1.00 0.00 C ATOM 816 CG LEU A 50 -5.332 -3.060 -0.655 1.00 0.00 C ATOM 817 CD1 LEU A 50 -5.770 -4.267 0.183 1.00 0.00 C ATOM 818 CD2 LEU A 50 -3.868 -3.210 -1.069 1.00 0.00 C ATOM 0 H LEU A 50 -4.830 -3.019 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.205 -4.888 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.885 -1.927 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.247 -2.556 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.424 -2.173 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.084 -4.397 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.778 -4.100 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.760 -5.163 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.256 -3.388 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.768 -4.052 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.534 -2.298 -1.563 1.00 0.00 H new ATOM 830 N ALA A 51 -8.168 -2.981 -4.278 1.00 0.00 N ATOM 831 CA ALA A 51 -9.486 -2.871 -4.890 1.00 0.00 C ATOM 832 C ALA A 51 -9.894 -4.108 -5.698 1.00 0.00 C ATOM 833 O ALA A 51 -10.997 -4.634 -5.519 1.00 0.00 O ATOM 834 CB ALA A 51 -9.521 -1.626 -5.777 1.00 0.00 C ATOM 0 H ALA A 51 -7.538 -2.218 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 51 -10.211 -2.791 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.504 -1.536 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.323 -0.742 -5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.761 -1.711 -6.554 1.00 0.00 H new ATOM 840 N ARG A 52 -9.039 -4.560 -6.618 1.00 0.00 N ATOM 841 CA ARG A 52 -9.332 -5.721 -7.451 1.00 0.00 C ATOM 842 C ARG A 52 -9.502 -6.959 -6.592 1.00 0.00 C ATOM 843 O ARG A 52 -10.499 -7.657 -6.781 1.00 0.00 O ATOM 844 CB ARG A 52 -8.236 -5.941 -8.497 1.00 0.00 C ATOM 845 CG ARG A 52 -8.290 -4.897 -9.623 1.00 0.00 C ATOM 846 CD ARG A 52 -7.132 -5.117 -10.598 1.00 0.00 C ATOM 847 NE ARG A 52 -7.304 -6.365 -11.359 1.00 0.00 N ATOM 848 CZ ARG A 52 -6.392 -6.939 -12.144 1.00 0.00 C ATOM 849 NH1 ARG A 52 -5.183 -6.403 -12.286 1.00 0.00 N ATOM 850 NH2 ARG A 52 -6.709 -8.054 -12.790 1.00 0.00 N ATOM 0 H ARG A 52 -8.131 -4.133 -6.803 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.267 -5.530 -7.979 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.260 -5.900 -8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.338 -6.939 -8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.240 -4.970 -10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.236 -3.893 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.068 -4.274 -11.287 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.192 -5.151 -10.048 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.206 -6.835 -11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.945 -5.543 -11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.494 -6.852 -12.889 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.639 -8.459 -12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.023 -8.506 -13.395 1.00 0.00 H new ATOM 864 N VAL A 53 -8.564 -7.230 -5.680 1.00 0.00 N ATOM 865 CA VAL A 53 -8.615 -8.388 -4.797 1.00 0.00 C ATOM 866 C VAL A 53 -9.893 -8.327 -3.956 1.00 0.00 C ATOM 867 O VAL A 53 -10.602 -9.323 -3.878 1.00 0.00 O ATOM 868 CB VAL A 53 -7.323 -8.481 -3.957 1.00 0.00 C ATOM 869 CG1 VAL A 53 -7.418 -9.606 -2.919 1.00 0.00 C ATOM 870 CG2 VAL A 53 -6.102 -8.767 -4.850 1.00 0.00 C ATOM 0 H VAL A 53 -7.742 -6.643 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.659 -9.310 -5.377 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.205 -7.520 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.494 -9.648 -2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.256 -9.413 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.572 -10.558 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.206 -8.827 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.247 -9.712 -5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.988 -7.964 -5.578 1.00 0.00 H new ATOM 880 N LEU A 54 -10.241 -7.175 -3.372 1.00 0.00 N ATOM 881 CA LEU A 54 -11.444 -7.006 -2.560 1.00 0.00 C ATOM 882 C LEU A 54 -12.673 -7.434 -3.357 1.00 0.00 C ATOM 883 O LEU A 54 -13.445 -8.293 -2.930 1.00 0.00 O ATOM 884 CB LEU A 54 -11.553 -5.559 -2.073 1.00 0.00 C ATOM 885 CG LEU A 54 -12.909 -5.304 -1.387 1.00 0.00 C ATOM 886 CD1 LEU A 54 -12.737 -4.610 -0.039 1.00 0.00 C ATOM 887 CD2 LEU A 54 -13.835 -4.459 -2.261 1.00 0.00 C ATOM 0 H LEU A 54 -9.685 -6.324 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.382 -7.644 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.743 -5.345 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.435 -4.879 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.359 -6.284 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.715 -4.447 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.133 -5.236 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.240 -3.651 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.781 -4.301 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.366 -3.496 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.019 -4.977 -3.202 1.00 0.00 H new ATOM 899 N ARG A 55 -12.863 -6.845 -4.536 1.00 0.00 N ATOM 900 CA ARG A 55 -13.995 -7.194 -5.389 1.00 0.00 C ATOM 901 C ARG A 55 -13.925 -8.682 -5.741 1.00 0.00 C ATOM 902 O ARG A 55 -14.970 -9.329 -5.741 1.00 0.00 O ATOM 903 CB ARG A 55 -14.030 -6.273 -6.614 1.00 0.00 C ATOM 904 CG ARG A 55 -15.204 -6.560 -7.570 1.00 0.00 C ATOM 905 CD ARG A 55 -15.298 -5.448 -8.624 1.00 0.00 C ATOM 906 NE ARG A 55 -16.211 -5.772 -9.736 1.00 0.00 N ATOM 907 CZ ARG A 55 -15.860 -6.331 -10.900 1.00 0.00 C ATOM 908 NH1 ARG A 55 -14.669 -6.917 -11.040 1.00 0.00 N ATOM 909 NH2 ARG A 55 -16.717 -6.298 -11.914 1.00 0.00 N ATOM 0 H ARG A 55 -12.250 -6.126 -4.921 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.937 -7.038 -4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.091 -5.238 -6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.093 -6.376 -7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.061 -7.525 -8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.136 -6.621 -7.008 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.634 -4.529 -8.143 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.304 -5.252 -9.025 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.198 -5.550 -9.606 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.017 -6.941 -10.256 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.411 -7.340 -11.931 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.627 -5.851 -11.799 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.465 -6.719 -12.808 1.00 0.00 H new ATOM 923 N ASN A 56 -12.729 -9.229 -5.996 1.00 0.00 N ATOM 924 CA ASN A 56 -12.533 -10.637 -6.337 1.00 0.00 C ATOM 925 C ASN A 56 -12.965 -11.541 -5.183 1.00 0.00 C ATOM 926 O ASN A 56 -13.500 -12.625 -5.430 1.00 0.00 O ATOM 927 CB ASN A 56 -11.092 -10.960 -6.789 1.00 0.00 C ATOM 928 CG ASN A 56 -10.759 -10.457 -8.193 1.00 0.00 C ATOM 929 OD1 ASN A 56 -11.649 -10.189 -9.004 1.00 0.00 O ATOM 930 ND2 ASN A 56 -9.490 -10.316 -8.535 1.00 0.00 N ATOM 0 H ASN A 56 -11.860 -8.695 -5.970 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.171 -10.838 -7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.391 -10.520 -6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.944 -12.039 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.247 -9.986 -9.469 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.754 -10.537 -7.865 1.00 0.00 H new ATOM 937 N VAL A 57 -12.787 -11.134 -3.927 1.00 0.00 N ATOM 938 CA VAL A 57 -13.199 -11.956 -2.801 1.00 0.00 C ATOM 939 C VAL A 57 -14.678 -11.763 -2.536 1.00 0.00 C ATOM 940 O VAL A 57 -15.367 -12.761 -2.387 1.00 0.00 O ATOM 941 CB VAL A 57 -12.283 -11.775 -1.596 1.00 0.00 C ATOM 942 CG1 VAL A 57 -12.250 -10.391 -0.954 1.00 0.00 C ATOM 943 CG2 VAL A 57 -12.583 -12.831 -0.531 1.00 0.00 C ATOM 0 H VAL A 57 -12.362 -10.243 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.079 -13.011 -3.049 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.285 -11.901 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.561 -10.398 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.917 -9.657 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -13.249 -10.128 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.920 -12.686 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.619 -12.735 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -12.425 -13.825 -0.949 1.00 0.00 H new ATOM 953 N PHE A 58 -15.216 -10.539 -2.556 1.00 0.00 N ATOM 954 CA PHE A 58 -16.647 -10.326 -2.324 1.00 0.00 C ATOM 955 C PHE A 58 -17.448 -11.093 -3.373 1.00 0.00 C ATOM 956 O PHE A 58 -18.543 -11.595 -3.099 1.00 0.00 O ATOM 957 CB PHE A 58 -17.007 -8.834 -2.412 1.00 0.00 C ATOM 958 CG PHE A 58 -16.952 -8.091 -1.095 1.00 0.00 C ATOM 959 CD1 PHE A 58 -15.785 -8.120 -0.315 1.00 0.00 C ATOM 960 CD2 PHE A 58 -18.080 -7.388 -0.636 1.00 0.00 C ATOM 961 CE1 PHE A 58 -15.722 -7.399 0.891 1.00 0.00 C ATOM 962 CE2 PHE A 58 -18.030 -6.689 0.585 1.00 0.00 C ATOM 963 CZ PHE A 58 -16.844 -6.682 1.341 1.00 0.00 C ATOM 0 H PHE A 58 -14.685 -9.686 -2.729 1.00 0.00 H new ATOM 0 HA PHE A 58 -16.888 -10.684 -1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -16.328 -8.351 -3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -18.012 -8.740 -2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -14.933 -8.698 -0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -18.987 -7.384 -1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -14.811 -7.396 1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.901 -6.159 0.941 1.00 0.00 H new ATOM 0 HZ PHE A 58 -16.796 -6.127 2.266 1.00 0.00 H new ATOM 973 N VAL A 59 -16.923 -11.169 -4.598 1.00 0.00 N ATOM 974 CA VAL A 59 -17.642 -11.889 -5.645 1.00 0.00 C ATOM 975 C VAL A 59 -17.548 -13.399 -5.387 1.00 0.00 C ATOM 976 O VAL A 59 -18.551 -14.108 -5.512 1.00 0.00 O ATOM 977 CB VAL A 59 -17.240 -11.402 -7.052 1.00 0.00 C ATOM 978 CG1 VAL A 59 -15.874 -11.866 -7.535 1.00 0.00 C ATOM 979 CG2 VAL A 59 -18.288 -11.808 -8.090 1.00 0.00 C ATOM 0 H VAL A 59 -16.034 -10.756 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 59 -18.707 -11.660 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.182 -10.318 -6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -15.687 -11.470 -8.533 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -15.105 -11.506 -6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.850 -12.955 -7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -17.982 -11.453 -9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.380 -12.894 -8.108 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.250 -11.367 -7.828 1.00 0.00 H new ATOM 989 N SER A 60 -16.377 -13.893 -4.976 1.00 0.00 N ATOM 990 CA SER A 60 -16.142 -15.302 -4.696 1.00 0.00 C ATOM 991 C SER A 60 -16.946 -15.754 -3.474 1.00 0.00 C ATOM 992 O SER A 60 -17.535 -16.832 -3.507 1.00 0.00 O ATOM 993 CB SER A 60 -14.637 -15.530 -4.517 1.00 0.00 C ATOM 994 OG SER A 60 -14.282 -16.876 -4.734 1.00 0.00 O ATOM 0 H SER A 60 -15.554 -13.309 -4.827 1.00 0.00 H new ATOM 0 HA SER A 60 -16.484 -15.909 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.088 -14.893 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.342 -15.234 -3.510 1.00 0.00 H new ATOM 0 HG SER A 60 -13.315 -16.983 -4.613 1.00 0.00 H new ATOM 1000 N GLU A 61 -17.091 -14.903 -2.454 1.00 0.00 N ATOM 1001 CA GLU A 61 -17.815 -15.201 -1.224 1.00 0.00 C ATOM 1002 C GLU A 61 -19.329 -15.334 -1.446 1.00 0.00 C ATOM 1003 O GLU A 61 -20.068 -15.602 -0.500 1.00 0.00 O ATOM 1004 CB GLU A 61 -17.523 -14.066 -0.226 1.00 0.00 C ATOM 1005 CG GLU A 61 -17.634 -14.474 1.256 1.00 0.00 C ATOM 1006 CD GLU A 61 -16.686 -15.613 1.661 1.00 0.00 C ATOM 1007 OE1 GLU A 61 -15.477 -15.381 1.891 1.00 0.00 O ATOM 1008 OE2 GLU A 61 -17.170 -16.755 1.846 1.00 0.00 O ATOM 0 H GLU A 61 -16.695 -13.963 -2.466 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.478 -16.164 -0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.518 -13.686 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.214 -13.245 -0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.427 -13.604 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -18.660 -14.778 1.463 1.00 0.00 H new ATOM 1015 N ARG A 62 -19.824 -15.117 -2.673 1.00 0.00 N ATOM 1016 CA ARG A 62 -21.242 -15.195 -3.035 1.00 0.00 C ATOM 1017 C ARG A 62 -22.096 -14.169 -2.269 1.00 0.00 C ATOM 1018 O ARG A 62 -23.315 -14.177 -2.445 1.00 0.00 O ATOM 1019 CB ARG A 62 -21.740 -16.653 -2.877 1.00 0.00 C ATOM 1020 CG ARG A 62 -23.009 -16.947 -3.694 1.00 0.00 C ATOM 1021 CD ARG A 62 -23.275 -18.449 -3.820 1.00 0.00 C ATOM 1022 NE ARG A 62 -24.405 -18.678 -4.734 1.00 0.00 N ATOM 1023 CZ ARG A 62 -24.962 -19.832 -5.113 1.00 0.00 C ATOM 1024 NH1 ARG A 62 -24.579 -21.006 -4.619 1.00 0.00 N ATOM 1025 NH2 ARG A 62 -25.934 -19.780 -6.016 1.00 0.00 N ATOM 0 H ARG A 62 -19.227 -14.875 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 62 -21.355 -14.921 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -20.949 -17.337 -3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -21.939 -16.851 -1.824 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -23.865 -16.466 -3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -22.909 -16.512 -4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -22.385 -18.956 -4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -23.496 -18.872 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 62 -24.822 -17.838 -5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -23.834 -21.048 -3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -25.030 -21.864 -4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -26.231 -18.881 -6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -26.384 -20.639 -6.331 1.00 0.00 H new ATOM 1039 N LYS A 63 -21.517 -13.251 -1.479 1.00 0.00 N ATOM 1040 CA LYS A 63 -22.247 -12.270 -0.695 1.00 0.00 C ATOM 1041 C LYS A 63 -21.668 -10.881 -0.898 1.00 0.00 C ATOM 1042 O LYS A 63 -20.453 -10.715 -0.820 1.00 0.00 O ATOM 1043 CB LYS A 63 -22.313 -12.725 0.771 1.00 0.00 C ATOM 1044 CG LYS A 63 -20.964 -12.779 1.504 1.00 0.00 C ATOM 1045 CD LYS A 63 -20.994 -13.683 2.741 1.00 0.00 C ATOM 1046 CE LYS A 63 -22.086 -13.281 3.740 1.00 0.00 C ATOM 1047 NZ LYS A 63 -22.216 -14.265 4.832 1.00 0.00 N ATOM 0 H LYS A 63 -20.505 -13.177 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 63 -23.279 -12.200 -1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -22.976 -12.051 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -22.767 -13.715 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -20.197 -13.137 0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.678 -11.771 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -21.155 -14.715 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -20.023 -13.648 3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -21.854 -12.302 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -23.039 -13.187 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -22.964 -13.960 5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -22.462 -15.194 4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -21.314 -14.336 5.345 1.00 0.00 H new ATOM 1061 N PRO A 64 -22.507 -9.867 -1.168 1.00 0.00 N ATOM 1062 CA PRO A 64 -22.037 -8.509 -1.379 1.00 0.00 C ATOM 1063 C PRO A 64 -21.810 -7.747 -0.062 1.00 0.00 C ATOM 1064 O PRO A 64 -21.441 -6.571 -0.094 1.00 0.00 O ATOM 1065 CB PRO A 64 -23.171 -7.842 -2.165 1.00 0.00 C ATOM 1066 CG PRO A 64 -24.413 -8.480 -1.549 1.00 0.00 C ATOM 1067 CD PRO A 64 -23.958 -9.919 -1.300 1.00 0.00 C ATOM 0 HA PRO A 64 -21.075 -8.504 -1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -23.168 -6.759 -2.044 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -23.098 -8.043 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -24.709 -7.983 -0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -25.268 -8.436 -2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -24.417 -10.322 -0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -24.251 -10.569 -2.125 1.00 0.00 H new ATOM 1075 N ALA A 65 -22.106 -8.368 1.083 1.00 0.00 N ATOM 1076 CA ALA A 65 -21.964 -7.790 2.409 1.00 0.00 C ATOM 1077 C ALA A 65 -21.223 -8.804 3.274 1.00 0.00 C ATOM 1078 O ALA A 65 -21.615 -9.972 3.294 1.00 0.00 O ATOM 1079 CB ALA A 65 -23.347 -7.437 2.962 1.00 0.00 C ATOM 0 H ALA A 65 -22.464 -9.323 1.105 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.390 -6.863 2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -23.241 -7.003 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -23.830 -6.717 2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.956 -8.339 3.022 1.00 0.00 H new ATOM 1085 N LEU A 66 -20.137 -8.373 3.924 1.00 0.00 N ATOM 1086 CA LEU A 66 -19.279 -9.205 4.774 1.00 0.00 C ATOM 1087 C LEU A 66 -19.127 -8.573 6.156 1.00 0.00 C ATOM 1088 O LEU A 66 -19.159 -7.349 6.268 1.00 0.00 O ATOM 1089 CB LEU A 66 -17.888 -9.353 4.127 1.00 0.00 C ATOM 1090 CG LEU A 66 -17.760 -10.461 3.061 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -18.425 -10.162 1.715 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -16.282 -10.659 2.739 1.00 0.00 C ATOM 0 H LEU A 66 -19.821 -7.405 3.871 1.00 0.00 H new ATOM 0 HA LEU A 66 -19.741 -10.186 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -17.617 -8.401 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -17.160 -9.547 4.915 1.00 0.00 H new ATOM 0 HG LEU A 66 -18.258 -11.325 3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.275 -11.005 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -19.493 -10.002 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -17.981 -9.266 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.175 -11.440 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.865 -9.727 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.749 -10.951 3.643 1.00 0.00 H new ATOM 1104 N THR A 67 -18.924 -9.384 7.192 1.00 0.00 N ATOM 1105 CA THR A 67 -18.752 -8.953 8.583 1.00 0.00 C ATOM 1106 C THR A 67 -17.341 -8.379 8.791 1.00 0.00 C ATOM 1107 O THR A 67 -16.443 -8.687 7.999 1.00 0.00 O ATOM 1108 CB THR A 67 -18.970 -10.157 9.526 1.00 0.00 C ATOM 1109 OG1 THR A 67 -20.024 -10.999 9.091 1.00 0.00 O ATOM 1110 CG2 THR A 67 -19.291 -9.730 10.963 1.00 0.00 C ATOM 0 H THR A 67 -18.872 -10.397 7.085 1.00 0.00 H new ATOM 0 HA THR A 67 -19.483 -8.177 8.808 1.00 0.00 H new ATOM 0 HB THR A 67 -18.024 -10.698 9.503 1.00 0.00 H new ATOM 0 HG1 THR A 67 -20.869 -10.502 9.110 1.00 0.00 H new ATOM 0 HG21 THR A 67 -19.435 -10.615 11.582 1.00 0.00 H new ATOM 0 HG22 THR A 67 -18.465 -9.140 11.360 1.00 0.00 H new ATOM 0 HG23 THR A 67 -20.202 -9.131 10.970 1.00 0.00 H new ATOM 1118 N MET A 68 -17.120 -7.572 9.845 1.00 0.00 N ATOM 1119 CA MET A 68 -15.800 -7.005 10.145 1.00 0.00 C ATOM 1120 C MET A 68 -14.765 -8.123 10.279 1.00 0.00 C ATOM 1121 O MET A 68 -13.689 -8.042 9.699 1.00 0.00 O ATOM 1122 CB MET A 68 -15.811 -6.235 11.473 1.00 0.00 C ATOM 1123 CG MET A 68 -16.474 -4.865 11.452 1.00 0.00 C ATOM 1124 SD MET A 68 -15.514 -3.492 10.771 1.00 0.00 S ATOM 1125 CE MET A 68 -15.979 -3.557 9.027 1.00 0.00 C ATOM 0 H MET A 68 -17.848 -7.299 10.506 1.00 0.00 H new ATOM 0 HA MET A 68 -15.548 -6.331 9.326 1.00 0.00 H new ATOM 0 HB2 MET A 68 -16.316 -6.848 12.220 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.780 -6.111 11.806 1.00 0.00 H new ATOM 0 HG2 MET A 68 -17.399 -4.946 10.881 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.752 -4.609 12.474 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.638 -2.651 8.526 1.00 0.00 H new ATOM 0 HE2 MET A 68 -15.517 -4.426 8.559 1.00 0.00 H new ATOM 0 HE3 MET A 68 -17.063 -3.633 8.942 1.00 0.00 H new ATOM 1135 N GLU A 69 -15.126 -9.179 11.008 1.00 0.00 N ATOM 1136 CA GLU A 69 -14.289 -10.343 11.272 1.00 0.00 C ATOM 1137 C GLU A 69 -13.748 -10.920 9.962 1.00 0.00 C ATOM 1138 O GLU A 69 -12.538 -11.092 9.794 1.00 0.00 O ATOM 1139 CB GLU A 69 -15.152 -11.366 12.036 1.00 0.00 C ATOM 1140 CG GLU A 69 -14.437 -12.699 12.303 1.00 0.00 C ATOM 1141 CD GLU A 69 -15.404 -13.824 12.668 1.00 0.00 C ATOM 1142 OE1 GLU A 69 -16.353 -14.068 11.889 1.00 0.00 O ATOM 1143 OE2 GLU A 69 -15.184 -14.531 13.677 1.00 0.00 O ATOM 0 H GLU A 69 -16.045 -9.247 11.446 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.421 -10.074 11.874 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.458 -10.931 12.987 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.061 -11.559 11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.870 -12.986 11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.719 -12.566 13.112 1.00 0.00 H new ATOM 1150 N VAL A 70 -14.664 -11.190 9.033 1.00 0.00 N ATOM 1151 CA VAL A 70 -14.374 -11.765 7.735 1.00 0.00 C ATOM 1152 C VAL A 70 -13.395 -10.897 6.935 1.00 0.00 C ATOM 1153 O VAL A 70 -12.320 -11.376 6.568 1.00 0.00 O ATOM 1154 CB VAL A 70 -15.694 -12.059 6.987 1.00 0.00 C ATOM 1155 CG1 VAL A 70 -15.412 -12.772 5.656 1.00 0.00 C ATOM 1156 CG2 VAL A 70 -16.632 -12.956 7.815 1.00 0.00 C ATOM 0 H VAL A 70 -15.657 -11.006 9.175 1.00 0.00 H new ATOM 0 HA VAL A 70 -13.861 -12.717 7.870 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.175 -11.097 6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.353 -12.971 5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.784 -12.138 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.898 -13.714 5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.549 -13.139 7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -16.138 -13.905 8.023 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -16.874 -12.460 8.755 1.00 0.00 H new ATOM 1166 N VAL A 71 -13.743 -9.637 6.653 1.00 0.00 N ATOM 1167 CA VAL A 71 -12.873 -8.746 5.879 1.00 0.00 C ATOM 1168 C VAL A 71 -11.500 -8.555 6.556 1.00 0.00 C ATOM 1169 O VAL A 71 -10.514 -8.284 5.875 1.00 0.00 O ATOM 1170 CB VAL A 71 -13.619 -7.429 5.550 1.00 0.00 C ATOM 1171 CG1 VAL A 71 -13.817 -6.519 6.764 1.00 0.00 C ATOM 1172 CG2 VAL A 71 -12.946 -6.617 4.437 1.00 0.00 C ATOM 0 H VAL A 71 -14.621 -9.211 6.949 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.638 -9.211 4.922 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.596 -7.767 5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.346 -5.616 6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.401 -7.044 7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.846 -6.248 7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.517 -5.707 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.932 -6.355 4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.909 -7.212 3.524 1.00 0.00 H new ATOM 1182 N CYS A 72 -11.414 -8.722 7.878 1.00 0.00 N ATOM 1183 CA CYS A 72 -10.190 -8.572 8.657 1.00 0.00 C ATOM 1184 C CYS A 72 -9.251 -9.741 8.376 1.00 0.00 C ATOM 1185 O CYS A 72 -8.083 -9.508 8.049 1.00 0.00 O ATOM 1186 CB CYS A 72 -10.496 -8.425 10.153 1.00 0.00 C ATOM 1187 SG CYS A 72 -9.058 -7.692 10.983 1.00 0.00 S ATOM 0 H CYS A 72 -12.221 -8.973 8.450 1.00 0.00 H new ATOM 0 HA CYS A 72 -9.688 -7.654 8.352 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -11.375 -7.796 10.297 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -10.726 -9.398 10.587 1.00 0.00 H new ATOM 0 HG CYS A 72 -9.309 -7.562 12.252 1.00 0.00 H new ATOM 1193 N ALA A 73 -9.739 -10.986 8.485 1.00 0.00 N ATOM 1194 CA ALA A 73 -8.913 -12.163 8.203 1.00 0.00 C ATOM 1195 C ALA A 73 -8.422 -12.068 6.760 1.00 0.00 C ATOM 1196 O ALA A 73 -7.268 -12.358 6.452 1.00 0.00 O ATOM 1197 CB ALA A 73 -9.695 -13.466 8.394 1.00 0.00 C ATOM 0 H ALA A 73 -10.696 -11.200 8.765 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.076 -12.179 8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.047 -14.315 8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.045 -13.533 9.424 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.551 -13.479 7.719 1.00 0.00 H new ATOM 1203 N ARG A 74 -9.313 -11.648 5.862 1.00 0.00 N ATOM 1204 CA ARG A 74 -9.021 -11.480 4.453 1.00 0.00 C ATOM 1205 C ARG A 74 -7.942 -10.417 4.244 1.00 0.00 C ATOM 1206 O ARG A 74 -7.139 -10.558 3.325 1.00 0.00 O ATOM 1207 CB ARG A 74 -10.341 -11.120 3.760 1.00 0.00 C ATOM 1208 CG ARG A 74 -11.272 -12.324 3.559 1.00 0.00 C ATOM 1209 CD ARG A 74 -10.696 -13.444 2.681 1.00 0.00 C ATOM 1210 NE ARG A 74 -11.743 -14.419 2.338 1.00 0.00 N ATOM 1211 CZ ARG A 74 -11.584 -15.705 2.009 1.00 0.00 C ATOM 1212 NH1 ARG A 74 -10.358 -16.197 1.848 1.00 0.00 N ATOM 1213 NH2 ARG A 74 -12.664 -16.467 1.838 1.00 0.00 N ATOM 0 H ARG A 74 -10.275 -11.412 6.106 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.620 -12.396 4.021 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.859 -10.364 4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.123 -10.672 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.522 -12.739 4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.203 -11.975 3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.274 -13.019 1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.883 -13.944 3.207 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.703 -14.073 2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.546 -15.594 1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.231 -17.177 1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.595 -16.067 1.958 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.560 -17.450 1.587 1.00 0.00 H new ATOM 1227 N MET A 75 -7.905 -9.362 5.062 1.00 0.00 N ATOM 1228 CA MET A 75 -6.918 -8.301 4.961 1.00 0.00 C ATOM 1229 C MET A 75 -5.560 -8.814 5.418 1.00 0.00 C ATOM 1230 O MET A 75 -4.604 -8.780 4.645 1.00 0.00 O ATOM 1231 CB MET A 75 -7.329 -7.079 5.810 1.00 0.00 C ATOM 1232 CG MET A 75 -7.632 -5.834 4.978 1.00 0.00 C ATOM 1233 SD MET A 75 -9.160 -5.871 4.001 1.00 0.00 S ATOM 1234 CE MET A 75 -8.514 -6.369 2.390 1.00 0.00 C ATOM 0 H MET A 75 -8.572 -9.225 5.821 1.00 0.00 H new ATOM 0 HA MET A 75 -6.857 -7.988 3.919 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.209 -7.335 6.400 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.529 -6.850 6.514 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.676 -4.976 5.649 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.796 -5.665 4.299 1.00 0.00 H new ATOM 0 HE1 MET A 75 -9.213 -6.070 1.609 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.551 -5.887 2.219 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.387 -7.451 2.368 1.00 0.00 H new ATOM 1244 N VAL A 76 -5.473 -9.303 6.658 1.00 0.00 N ATOM 1245 CA VAL A 76 -4.224 -9.783 7.231 1.00 0.00 C ATOM 1246 C VAL A 76 -3.586 -10.924 6.443 1.00 0.00 C ATOM 1247 O VAL A 76 -2.360 -11.030 6.435 1.00 0.00 O ATOM 1248 CB VAL A 76 -4.409 -10.060 8.731 1.00 0.00 C ATOM 1249 CG1 VAL A 76 -5.062 -11.411 9.041 1.00 0.00 C ATOM 1250 CG2 VAL A 76 -3.072 -9.910 9.463 1.00 0.00 C ATOM 0 H VAL A 76 -6.271 -9.375 7.289 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.481 -8.990 7.143 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.112 -9.312 9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.157 -11.530 10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.050 -11.451 8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.444 -12.214 8.640 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.215 -10.108 10.525 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.352 -10.619 9.055 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.697 -8.895 9.331 1.00 0.00 H new ATOM 1260 N ASP A 77 -4.367 -11.751 5.742 1.00 0.00 N ATOM 1261 CA ASP A 77 -3.795 -12.845 4.943 1.00 0.00 C ATOM 1262 C ASP A 77 -2.891 -12.265 3.842 1.00 0.00 C ATOM 1263 O ASP A 77 -1.892 -12.879 3.464 1.00 0.00 O ATOM 1264 CB ASP A 77 -4.865 -13.788 4.362 1.00 0.00 C ATOM 1265 CG ASP A 77 -4.865 -15.140 5.085 1.00 0.00 C ATOM 1266 OD1 ASP A 77 -3.820 -15.836 5.079 1.00 0.00 O ATOM 1267 OD2 ASP A 77 -5.876 -15.485 5.740 1.00 0.00 O ATOM 0 H ASP A 77 -5.385 -11.688 5.709 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.193 -13.462 5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.848 -13.325 4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.680 -13.941 3.299 1.00 0.00 H new ATOM 1272 N SER A 78 -3.176 -11.056 3.349 1.00 0.00 N ATOM 1273 CA SER A 78 -2.354 -10.419 2.327 1.00 0.00 C ATOM 1274 C SER A 78 -1.039 -9.877 2.896 1.00 0.00 C ATOM 1275 O SER A 78 -0.228 -9.371 2.128 1.00 0.00 O ATOM 1276 CB SER A 78 -3.128 -9.292 1.642 1.00 0.00 C ATOM 1277 OG SER A 78 -4.167 -9.832 0.845 1.00 0.00 O ATOM 0 H SER A 78 -3.977 -10.499 3.647 1.00 0.00 H new ATOM 0 HA SER A 78 -2.106 -11.187 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.545 -8.619 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.453 -8.701 1.023 1.00 0.00 H new ATOM 0 HG SER A 78 -4.659 -9.104 0.411 1.00 0.00 H new ATOM 1283 N CYS A 79 -0.787 -9.947 4.210 1.00 0.00 N ATOM 1284 CA CYS A 79 0.464 -9.455 4.786 1.00 0.00 C ATOM 1285 C CYS A 79 1.660 -10.276 4.281 1.00 0.00 C ATOM 1286 O CYS A 79 2.802 -9.834 4.401 1.00 0.00 O ATOM 1287 CB CYS A 79 0.349 -9.402 6.312 1.00 0.00 C ATOM 1288 SG CYS A 79 1.758 -8.576 7.105 1.00 0.00 S ATOM 0 H CYS A 79 -1.436 -10.341 4.892 1.00 0.00 H new ATOM 0 HA CYS A 79 0.649 -8.434 4.452 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.569 -8.881 6.583 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.266 -10.417 6.699 1.00 0.00 H new ATOM 0 HG CYS A 79 2.812 -8.699 6.354 1.00 0.00 H new ATOM 1294 N GLN A 80 1.414 -11.422 3.633 1.00 0.00 N ATOM 1295 CA GLN A 80 2.429 -12.313 3.060 1.00 0.00 C ATOM 1296 C GLN A 80 3.249 -11.692 1.928 1.00 0.00 C ATOM 1297 O GLN A 80 4.244 -12.233 1.455 1.00 0.00 O ATOM 1298 CB GLN A 80 1.794 -13.659 2.660 1.00 0.00 C ATOM 1299 CG GLN A 80 1.596 -14.584 3.868 1.00 0.00 C ATOM 1300 CD GLN A 80 0.512 -15.634 3.641 1.00 0.00 C ATOM 1301 OE1 GLN A 80 0.759 -16.737 3.154 1.00 0.00 O ATOM 1302 NE2 GLN A 80 -0.717 -15.330 4.019 1.00 0.00 N ATOM 0 H GLN A 80 0.465 -11.767 3.488 1.00 0.00 H new ATOM 0 HA GLN A 80 3.162 -12.494 3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.832 -13.478 2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.428 -14.154 1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.538 -15.084 4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.336 -13.984 4.740 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.915 -14.414 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.468 -16.011 3.908 1.00 0.00 H new ATOM 1311 N THR A 81 2.816 -10.515 1.548 1.00 0.00 N ATOM 1312 CA THR A 81 3.357 -9.625 0.535 1.00 0.00 C ATOM 1313 C THR A 81 4.566 -8.868 1.104 1.00 0.00 C ATOM 1314 O THR A 81 5.389 -8.349 0.351 1.00 0.00 O ATOM 1315 CB THR A 81 2.218 -8.693 0.091 1.00 0.00 C ATOM 1316 OG1 THR A 81 2.408 -8.193 -1.217 1.00 0.00 O ATOM 1317 CG2 THR A 81 1.938 -7.542 1.051 1.00 0.00 C ATOM 0 H THR A 81 1.988 -10.109 1.984 1.00 0.00 H new ATOM 0 HA THR A 81 3.722 -10.169 -0.336 1.00 0.00 H new ATOM 0 HB THR A 81 1.336 -9.334 0.100 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.659 -7.608 -1.455 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.121 -6.934 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.661 -7.941 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.832 -6.927 1.152 1.00 0.00 H new ATOM 1325 N ALA A 82 4.687 -8.849 2.431 1.00 0.00 N ATOM 1326 CA ALA A 82 5.711 -8.228 3.260 1.00 0.00 C ATOM 1327 C ALA A 82 5.501 -6.714 3.375 1.00 0.00 C ATOM 1328 O ALA A 82 6.065 -5.931 2.611 1.00 0.00 O ATOM 1329 CB ALA A 82 7.135 -8.605 2.826 1.00 0.00 C ATOM 0 H ALA A 82 3.993 -9.321 3.011 1.00 0.00 H new ATOM 0 HA ALA A 82 5.598 -8.636 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.856 -8.114 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.262 -9.686 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.299 -8.284 1.797 1.00 0.00 H new ATOM 1335 N LEU A 83 4.623 -6.300 4.287 1.00 0.00 N ATOM 1336 CA LEU A 83 4.275 -4.915 4.598 1.00 0.00 C ATOM 1337 C LEU A 83 4.100 -4.752 6.112 1.00 0.00 C ATOM 1338 O LEU A 83 4.008 -5.740 6.848 1.00 0.00 O ATOM 1339 CB LEU A 83 3.024 -4.466 3.810 1.00 0.00 C ATOM 1340 CG LEU A 83 1.824 -5.434 3.801 1.00 0.00 C ATOM 1341 CD1 LEU A 83 1.111 -5.653 5.132 1.00 0.00 C ATOM 1342 CD2 LEU A 83 0.778 -4.954 2.792 1.00 0.00 C ATOM 0 H LEU A 83 4.104 -6.963 4.863 1.00 0.00 H new ATOM 0 HA LEU A 83 5.089 -4.261 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.689 -3.513 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.321 -4.283 2.777 1.00 0.00 H new ATOM 0 HG LEU A 83 2.271 -6.393 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.287 -6.353 4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.814 -6.060 5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.722 -4.703 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.068 -5.642 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.435 -3.958 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.221 -4.921 1.797 1.00 0.00 H new ATOM 1354 N SER A 84 4.088 -3.513 6.603 1.00 0.00 N ATOM 1355 CA SER A 84 3.894 -3.255 8.023 1.00 0.00 C ATOM 1356 C SER A 84 2.401 -3.442 8.334 1.00 0.00 C ATOM 1357 O SER A 84 1.576 -3.298 7.431 1.00 0.00 O ATOM 1358 CB SER A 84 4.439 -1.868 8.366 1.00 0.00 C ATOM 1359 OG SER A 84 5.857 -1.914 8.331 1.00 0.00 O ATOM 0 H SER A 84 4.211 -2.674 6.035 1.00 0.00 H new ATOM 0 HA SER A 84 4.447 -3.953 8.652 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.067 -1.130 7.655 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.095 -1.561 9.354 1.00 0.00 H new ATOM 0 HG SER A 84 6.218 -1.029 8.548 1.00 0.00 H new ATOM 1365 N PRO A 85 2.010 -3.705 9.592 1.00 0.00 N ATOM 1366 CA PRO A 85 0.610 -3.934 9.939 1.00 0.00 C ATOM 1367 C PRO A 85 -0.304 -2.763 9.571 1.00 0.00 C ATOM 1368 O PRO A 85 -1.373 -2.945 8.985 1.00 0.00 O ATOM 1369 CB PRO A 85 0.606 -4.264 11.435 1.00 0.00 C ATOM 1370 CG PRO A 85 1.925 -3.690 11.953 1.00 0.00 C ATOM 1371 CD PRO A 85 2.859 -3.881 10.759 1.00 0.00 C ATOM 0 HA PRO A 85 0.192 -4.757 9.359 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.249 -3.814 11.939 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.546 -5.339 11.605 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.830 -2.640 12.230 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.280 -4.222 12.836 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.671 -3.153 10.771 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.317 -4.870 10.769 1.00 0.00 H new ATOM 1379 N GLY A 86 0.180 -1.560 9.856 1.00 0.00 N ATOM 1380 CA GLY A 86 -0.473 -0.288 9.625 1.00 0.00 C ATOM 1381 C GLY A 86 -0.669 0.026 8.151 1.00 0.00 C ATOM 1382 O GLY A 86 -1.493 0.881 7.849 1.00 0.00 O ATOM 0 H GLY A 86 1.100 -1.446 10.282 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.443 -0.290 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.118 0.505 10.083 1.00 0.00 H new ATOM 1386 N GLU A 87 0.071 -0.610 7.233 1.00 0.00 N ATOM 1387 CA GLU A 87 -0.106 -0.365 5.802 1.00 0.00 C ATOM 1388 C GLU A 87 -1.517 -0.816 5.451 1.00 0.00 C ATOM 1389 O GLU A 87 -2.277 -0.074 4.844 1.00 0.00 O ATOM 1390 CB GLU A 87 0.900 -1.171 4.970 1.00 0.00 C ATOM 1391 CG GLU A 87 2.313 -0.577 4.995 1.00 0.00 C ATOM 1392 CD GLU A 87 2.409 0.742 4.228 1.00 0.00 C ATOM 1393 OE1 GLU A 87 1.713 0.900 3.200 1.00 0.00 O ATOM 1394 OE2 GLU A 87 3.191 1.619 4.663 1.00 0.00 O ATOM 0 H GLU A 87 0.794 -1.294 7.458 1.00 0.00 H new ATOM 0 HA GLU A 87 0.054 0.691 5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.936 -2.194 5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.552 -1.221 3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.617 -0.415 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.013 -1.294 4.566 1.00 0.00 H new ATOM 1401 N MET A 88 -1.860 -2.030 5.889 1.00 0.00 N ATOM 1402 CA MET A 88 -3.148 -2.660 5.681 1.00 0.00 C ATOM 1403 C MET A 88 -4.253 -1.728 6.173 1.00 0.00 C ATOM 1404 O MET A 88 -5.189 -1.426 5.437 1.00 0.00 O ATOM 1405 CB MET A 88 -3.144 -3.997 6.437 1.00 0.00 C ATOM 1406 CG MET A 88 -4.183 -4.992 5.883 1.00 0.00 C ATOM 1407 SD MET A 88 -3.908 -5.566 4.182 1.00 0.00 S ATOM 1408 CE MET A 88 -2.427 -6.565 4.465 1.00 0.00 C ATOM 0 H MET A 88 -1.216 -2.617 6.419 1.00 0.00 H new ATOM 0 HA MET A 88 -3.333 -2.853 4.624 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.151 -4.442 6.376 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.347 -3.815 7.492 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.209 -5.862 6.539 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.167 -4.525 5.933 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.194 -7.133 3.564 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.589 -5.912 4.710 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.605 -7.253 5.292 1.00 0.00 H new ATOM 1418 N GLU A 89 -4.127 -1.232 7.405 1.00 0.00 N ATOM 1419 CA GLU A 89 -5.112 -0.339 7.994 1.00 0.00 C ATOM 1420 C GLU A 89 -5.199 0.981 7.227 1.00 0.00 C ATOM 1421 O GLU A 89 -6.301 1.471 6.960 1.00 0.00 O ATOM 1422 CB GLU A 89 -4.808 -0.140 9.479 1.00 0.00 C ATOM 1423 CG GLU A 89 -5.226 -1.377 10.288 1.00 0.00 C ATOM 1424 CD GLU A 89 -4.897 -1.278 11.781 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -4.361 -0.233 12.230 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -5.101 -2.301 12.485 1.00 0.00 O ATOM 0 H GLU A 89 -3.339 -1.441 8.017 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.099 -0.796 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.743 0.047 9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.336 0.739 9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.299 -1.531 10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.731 -2.255 9.874 1.00 0.00 H new ATOM 1433 N LYS A 90 -4.066 1.576 6.853 1.00 0.00 N ATOM 1434 CA LYS A 90 -4.096 2.822 6.098 1.00 0.00 C ATOM 1435 C LYS A 90 -4.669 2.582 4.702 1.00 0.00 C ATOM 1436 O LYS A 90 -5.146 3.538 4.092 1.00 0.00 O ATOM 1437 CB LYS A 90 -2.728 3.502 6.097 1.00 0.00 C ATOM 1438 CG LYS A 90 -2.505 4.086 7.500 1.00 0.00 C ATOM 1439 CD LYS A 90 -1.228 4.915 7.546 1.00 0.00 C ATOM 1440 CE LYS A 90 -0.974 5.490 8.943 1.00 0.00 C ATOM 1441 NZ LYS A 90 -2.021 6.440 9.381 1.00 0.00 N ATOM 0 H LYS A 90 -3.132 1.220 7.058 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.768 3.526 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.944 2.786 5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.691 4.289 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.356 4.706 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.446 3.278 8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.382 4.296 7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.297 5.729 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.912 4.671 9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.008 5.995 8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.735 6.883 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.148 7.175 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.917 5.930 9.518 1.00 0.00 H new ATOM 1455 N HIS A 91 -4.641 1.353 4.176 1.00 0.00 N ATOM 1456 CA HIS A 91 -5.196 1.049 2.870 1.00 0.00 C ATOM 1457 C HIS A 91 -6.718 0.927 3.033 1.00 0.00 C ATOM 1458 O HIS A 91 -7.452 1.269 2.104 1.00 0.00 O ATOM 1459 CB HIS A 91 -4.567 -0.226 2.287 1.00 0.00 C ATOM 1460 CG HIS A 91 -3.101 -0.131 1.907 1.00 0.00 C ATOM 1461 ND1 HIS A 91 -2.362 1.014 1.677 1.00 0.00 N ATOM 1462 CD2 HIS A 91 -2.270 -1.200 1.692 1.00 0.00 C ATOM 1463 CE1 HIS A 91 -1.125 0.632 1.316 1.00 0.00 C ATOM 1464 NE2 HIS A 91 -1.010 -0.710 1.319 1.00 0.00 N ATOM 0 H HIS A 91 -4.232 0.548 4.650 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.970 1.843 2.159 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.682 -1.029 3.015 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.133 -0.515 1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.539 -2.241 1.793 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.327 1.312 1.057 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.178 -1.257 1.096 1.00 0.00 H new ATOM 1472 N LEU A 92 -7.198 0.472 4.205 1.00 0.00 N ATOM 1473 CA LEU A 92 -8.618 0.331 4.505 1.00 0.00 C ATOM 1474 C LEU A 92 -9.278 1.693 4.413 1.00 0.00 C ATOM 1475 O LEU A 92 -10.242 1.847 3.659 1.00 0.00 O ATOM 1476 CB LEU A 92 -8.908 -0.219 5.917 1.00 0.00 C ATOM 1477 CG LEU A 92 -8.559 -1.693 6.134 1.00 0.00 C ATOM 1478 CD1 LEU A 92 -8.520 -2.026 7.626 1.00 0.00 C ATOM 1479 CD2 LEU A 92 -9.566 -2.595 5.423 1.00 0.00 C ATOM 0 H LEU A 92 -6.593 0.190 4.976 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.010 -0.382 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.354 0.378 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.967 -0.079 6.132 1.00 0.00 H new ATOM 0 HG LEU A 92 -7.570 -1.871 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.270 -3.079 7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.766 -1.410 8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.496 -1.827 8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.300 -3.639 5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.565 -2.407 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -9.553 -2.383 4.354 1.00 0.00 H new ATOM 1491 N VAL A 93 -8.772 2.652 5.199 1.00 0.00 N ATOM 1492 CA VAL A 93 -9.337 3.989 5.213 1.00 0.00 C ATOM 1493 C VAL A 93 -9.210 4.602 3.822 1.00 0.00 C ATOM 1494 O VAL A 93 -10.223 5.008 3.273 1.00 0.00 O ATOM 1495 CB VAL A 93 -8.775 4.821 6.387 1.00 0.00 C ATOM 1496 CG1 VAL A 93 -7.245 4.931 6.402 1.00 0.00 C ATOM 1497 CG2 VAL A 93 -9.418 6.212 6.461 1.00 0.00 C ATOM 0 H VAL A 93 -7.978 2.520 5.826 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.407 3.964 5.420 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.048 4.261 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.932 5.531 7.257 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.809 3.935 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.905 5.406 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.995 6.764 7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.223 6.753 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.494 6.108 6.600 1.00 0.00 H new ATOM 1507 N LEU A 94 -8.024 4.581 3.207 1.00 0.00 N ATOM 1508 CA LEU A 94 -7.770 5.140 1.881 1.00 0.00 C ATOM 1509 C LEU A 94 -8.828 4.764 0.839 1.00 0.00 C ATOM 1510 O LEU A 94 -9.372 5.641 0.168 1.00 0.00 O ATOM 1511 CB LEU A 94 -6.365 4.688 1.458 1.00 0.00 C ATOM 1512 CG LEU A 94 -5.984 4.986 0.004 1.00 0.00 C ATOM 1513 CD1 LEU A 94 -6.014 6.482 -0.334 1.00 0.00 C ATOM 1514 CD2 LEU A 94 -4.552 4.478 -0.217 1.00 0.00 C ATOM 0 H LEU A 94 -7.195 4.164 3.630 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.830 6.227 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.636 5.168 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.283 3.614 1.624 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.713 4.492 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.735 6.625 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.019 6.872 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.310 7.014 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.250 4.676 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.874 4.992 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.513 3.405 -0.028 1.00 0.00 H new ATOM 1526 N LEU A 95 -9.120 3.471 0.691 1.00 0.00 N ATOM 1527 CA LEU A 95 -10.096 3.019 -0.294 1.00 0.00 C ATOM 1528 C LEU A 95 -11.508 3.473 0.044 1.00 0.00 C ATOM 1529 O LEU A 95 -12.256 3.896 -0.839 1.00 0.00 O ATOM 1530 CB LEU A 95 -10.054 1.487 -0.376 1.00 0.00 C ATOM 1531 CG LEU A 95 -10.535 0.868 -1.701 1.00 0.00 C ATOM 1532 CD1 LEU A 95 -9.860 1.458 -2.949 1.00 0.00 C ATOM 1533 CD2 LEU A 95 -10.209 -0.631 -1.637 1.00 0.00 C ATOM 0 H LEU A 95 -8.695 2.723 1.239 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.833 3.462 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.029 1.161 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.663 1.083 0.433 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.600 1.078 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.253 0.969 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.064 2.527 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.784 1.296 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.533 -1.114 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.134 -0.765 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.728 -1.080 -0.790 1.00 0.00 H new ATOM 1545 N ALA A 96 -11.884 3.330 1.313 1.00 0.00 N ATOM 1546 CA ALA A 96 -13.209 3.696 1.803 1.00 0.00 C ATOM 1547 C ALA A 96 -13.438 5.210 1.814 1.00 0.00 C ATOM 1548 O ALA A 96 -14.590 5.650 1.743 1.00 0.00 O ATOM 1549 CB ALA A 96 -13.403 3.124 3.212 1.00 0.00 C ATOM 0 H ALA A 96 -11.271 2.953 2.036 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.943 3.272 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.392 3.395 3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.313 2.038 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.642 3.531 3.878 1.00 0.00 H new ATOM 1555 N GLU A 97 -12.363 5.994 1.880 1.00 0.00 N ATOM 1556 CA GLU A 97 -12.357 7.442 1.922 1.00 0.00 C ATOM 1557 C GLU A 97 -12.664 8.028 0.552 1.00 0.00 C ATOM 1558 O GLU A 97 -13.699 8.677 0.382 1.00 0.00 O ATOM 1559 CB GLU A 97 -11.026 7.947 2.513 1.00 0.00 C ATOM 1560 CG GLU A 97 -11.073 9.408 2.982 1.00 0.00 C ATOM 1561 CD GLU A 97 -10.643 10.428 1.931 1.00 0.00 C ATOM 1562 OE1 GLU A 97 -11.457 10.769 1.047 1.00 0.00 O ATOM 1563 OE2 GLU A 97 -9.534 10.993 2.058 1.00 0.00 O ATOM 0 H GLU A 97 -11.421 5.605 1.907 1.00 0.00 H new ATOM 0 HA GLU A 97 -13.152 7.789 2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.749 7.313 3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.242 7.841 1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.089 9.641 3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.432 9.516 3.857 1.00 0.00 H new ATOM 1570 N LEU A 98 -11.800 7.758 -0.431 1.00 0.00 N ATOM 1571 CA LEU A 98 -11.918 8.274 -1.785 1.00 0.00 C ATOM 1572 C LEU A 98 -13.162 7.775 -2.511 1.00 0.00 C ATOM 1573 O LEU A 98 -13.657 8.479 -3.393 1.00 0.00 O ATOM 1574 CB LEU A 98 -10.671 7.857 -2.593 1.00 0.00 C ATOM 1575 CG LEU A 98 -9.408 8.731 -2.433 1.00 0.00 C ATOM 1576 CD1 LEU A 98 -9.011 9.044 -0.990 1.00 0.00 C ATOM 1577 CD2 LEU A 98 -8.240 8.006 -3.111 1.00 0.00 C ATOM 0 H LEU A 98 -10.984 7.161 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.001 9.358 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.413 6.835 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.941 7.842 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.643 9.692 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.113 9.662 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.823 9.579 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.814 8.114 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.334 8.604 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.089 7.037 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.466 7.861 -4.168 1.00 0.00 H new ATOM 1589 N LEU A 99 -13.666 6.582 -2.182 1.00 0.00 N ATOM 1590 CA LEU A 99 -14.833 6.009 -2.853 1.00 0.00 C ATOM 1591 C LEU A 99 -15.915 5.672 -1.810 1.00 0.00 C ATOM 1592 O LEU A 99 -16.088 4.500 -1.464 1.00 0.00 O ATOM 1593 CB LEU A 99 -14.433 4.842 -3.803 1.00 0.00 C ATOM 1594 CG LEU A 99 -12.952 4.728 -4.250 1.00 0.00 C ATOM 1595 CD1 LEU A 99 -12.686 3.341 -4.842 1.00 0.00 C ATOM 1596 CD2 LEU A 99 -12.548 5.785 -5.286 1.00 0.00 C ATOM 0 H LEU A 99 -13.278 5.990 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.281 6.743 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.704 3.907 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.046 4.920 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.353 4.894 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.643 3.272 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.892 2.579 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.333 3.184 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -11.501 5.649 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.168 5.678 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -12.688 6.780 -4.864 1.00 0.00 H new ATOM 1608 N PRO A 100 -16.652 6.669 -1.284 1.00 0.00 N ATOM 1609 CA PRO A 100 -17.697 6.445 -0.283 1.00 0.00 C ATOM 1610 C PRO A 100 -18.905 5.710 -0.864 1.00 0.00 C ATOM 1611 O PRO A 100 -19.628 5.014 -0.159 1.00 0.00 O ATOM 1612 CB PRO A 100 -18.120 7.845 0.175 1.00 0.00 C ATOM 1613 CG PRO A 100 -17.790 8.744 -1.016 1.00 0.00 C ATOM 1614 CD PRO A 100 -16.553 8.083 -1.612 1.00 0.00 C ATOM 0 HA PRO A 100 -17.322 5.823 0.530 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -19.182 7.881 0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -17.577 8.153 1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.611 8.783 -1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -17.589 9.769 -0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.514 8.231 -2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.642 8.516 -1.198 1.00 0.00 H new ATOM 1622 N ASP A 101 -19.100 5.855 -2.171 1.00 0.00 N ATOM 1623 CA ASP A 101 -20.189 5.268 -2.929 1.00 0.00 C ATOM 1624 C ASP A 101 -20.058 3.753 -3.042 1.00 0.00 C ATOM 1625 O ASP A 101 -21.058 3.049 -3.215 1.00 0.00 O ATOM 1626 CB ASP A 101 -20.151 5.823 -4.364 1.00 0.00 C ATOM 1627 CG ASP A 101 -19.884 7.320 -4.456 1.00 0.00 C ATOM 1628 OD1 ASP A 101 -18.692 7.703 -4.490 1.00 0.00 O ATOM 1629 OD2 ASP A 101 -20.833 8.126 -4.547 1.00 0.00 O ATOM 0 H ASP A 101 -18.473 6.411 -2.752 1.00 0.00 H new ATOM 0 HA ASP A 101 -21.115 5.513 -2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.380 5.294 -4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -21.103 5.606 -4.849 1.00 0.00 H new ATOM 1634 N TRP A 102 -18.820 3.256 -2.976 1.00 0.00 N ATOM 1635 CA TRP A 102 -18.488 1.853 -3.116 1.00 0.00 C ATOM 1636 C TRP A 102 -18.446 1.079 -1.799 1.00 0.00 C ATOM 1637 O TRP A 102 -19.174 0.095 -1.686 1.00 0.00 O ATOM 1638 CB TRP A 102 -17.178 1.771 -3.905 1.00 0.00 C ATOM 1639 CG TRP A 102 -16.853 0.448 -4.513 1.00 0.00 C ATOM 1640 CD1 TRP A 102 -17.706 -0.335 -5.210 1.00 0.00 C ATOM 1641 CD2 TRP A 102 -15.580 -0.258 -4.502 1.00 0.00 C ATOM 1642 NE1 TRP A 102 -17.032 -1.437 -5.682 1.00 0.00 N ATOM 1643 CE2 TRP A 102 -15.721 -1.449 -5.269 1.00 0.00 C ATOM 1644 CE3 TRP A 102 -14.332 -0.038 -3.888 1.00 0.00 C ATOM 1645 CZ2 TRP A 102 -14.672 -2.362 -5.428 1.00 0.00 C ATOM 1646 CZ3 TRP A 102 -13.269 -0.940 -4.054 1.00 0.00 C ATOM 1647 CH2 TRP A 102 -13.431 -2.097 -4.832 1.00 0.00 C ATOM 0 H TRP A 102 -18.002 3.845 -2.818 1.00 0.00 H new ATOM 0 HA TRP A 102 -19.289 1.352 -3.659 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -17.212 2.514 -4.702 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -16.361 2.052 -3.241 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -18.754 -0.128 -5.371 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.454 -2.158 -6.267 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.190 0.842 -3.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -14.817 -3.263 -6.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -12.319 -0.742 -3.579 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -12.605 -2.779 -4.971 1.00 0.00 H new ATOM 1658 N LEU A 103 -17.573 1.445 -0.852 1.00 0.00 N ATOM 1659 CA LEU A 103 -17.471 0.752 0.433 1.00 0.00 C ATOM 1660 C LEU A 103 -18.286 1.526 1.456 1.00 0.00 C ATOM 1661 O LEU A 103 -17.989 2.694 1.716 1.00 0.00 O ATOM 1662 CB LEU A 103 -16.012 0.666 0.933 1.00 0.00 C ATOM 1663 CG LEU A 103 -15.129 -0.385 0.233 1.00 0.00 C ATOM 1664 CD1 LEU A 103 -13.638 -0.145 0.519 1.00 0.00 C ATOM 1665 CD2 LEU A 103 -15.461 -1.793 0.753 1.00 0.00 C ATOM 0 H LEU A 103 -16.923 2.224 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 103 -17.842 -0.265 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -15.547 1.644 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -16.025 0.450 2.001 1.00 0.00 H new ATOM 0 HG LEU A 103 -15.327 -0.300 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.043 -0.904 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.352 0.843 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.459 -0.203 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -14.830 -2.525 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -15.281 -1.836 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -16.508 -2.018 0.551 1.00 0.00 H new ATOM 1677 N SER A 104 -19.236 0.848 2.102 1.00 0.00 N ATOM 1678 CA SER A 104 -20.094 1.442 3.119 1.00 0.00 C ATOM 1679 C SER A 104 -20.125 0.569 4.371 1.00 0.00 C ATOM 1680 O SER A 104 -20.286 -0.650 4.281 1.00 0.00 O ATOM 1681 CB SER A 104 -21.508 1.639 2.569 1.00 0.00 C ATOM 1682 OG SER A 104 -21.567 2.757 1.709 1.00 0.00 O ATOM 0 H SER A 104 -19.430 -0.138 1.930 1.00 0.00 H new ATOM 0 HA SER A 104 -19.687 2.416 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 104 -21.820 0.745 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 104 -22.207 1.774 3.394 1.00 0.00 H new ATOM 0 HG SER A 104 -22.480 2.861 1.369 1.00 0.00 H new ATOM 1688 N LEU A 105 -19.969 1.179 5.548 1.00 0.00 N ATOM 1689 CA LEU A 105 -19.987 0.504 6.847 1.00 0.00 C ATOM 1690 C LEU A 105 -21.425 0.451 7.340 1.00 0.00 C ATOM 1691 O LEU A 105 -22.092 1.487 7.409 1.00 0.00 O ATOM 1692 CB LEU A 105 -19.133 1.265 7.874 1.00 0.00 C ATOM 1693 CG LEU A 105 -17.641 0.913 7.768 1.00 0.00 C ATOM 1694 CD1 LEU A 105 -16.787 1.997 8.427 1.00 0.00 C ATOM 1695 CD2 LEU A 105 -17.354 -0.421 8.463 1.00 0.00 C ATOM 0 H LEU A 105 -19.822 2.185 5.625 1.00 0.00 H new ATOM 0 HA LEU A 105 -19.576 -0.499 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -19.262 2.337 7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -19.487 1.036 8.879 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.391 0.839 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.733 1.731 8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.962 2.951 7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -17.056 2.083 9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.293 -0.655 8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -17.627 -0.349 9.516 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -17.938 -1.211 7.990 1.00 0.00 H new ATOM 1707 N HIS A 106 -21.906 -0.738 7.687 1.00 0.00 N ATOM 1708 CA HIS A 106 -23.247 -1.008 8.177 1.00 0.00 C ATOM 1709 C HIS A 106 -23.136 -1.657 9.555 1.00 0.00 C ATOM 1710 O HIS A 106 -22.803 -2.835 9.678 1.00 0.00 O ATOM 1711 CB HIS A 106 -23.994 -1.936 7.204 1.00 0.00 C ATOM 1712 CG HIS A 106 -24.476 -1.284 5.930 1.00 0.00 C ATOM 1713 ND1 HIS A 106 -25.753 -1.374 5.420 1.00 0.00 N ATOM 1714 CD2 HIS A 106 -23.735 -0.540 5.053 1.00 0.00 C ATOM 1715 CE1 HIS A 106 -25.784 -0.693 4.262 1.00 0.00 C ATOM 1716 NE2 HIS A 106 -24.586 -0.134 4.025 1.00 0.00 N ATOM 0 H HIS A 106 -21.338 -1.583 7.630 1.00 0.00 H new ATOM 0 HA HIS A 106 -23.810 -0.078 8.252 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -23.337 -2.765 6.942 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -24.853 -2.362 7.722 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -22.684 -0.309 5.141 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -26.646 -0.608 3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -24.344 0.473 3.241 1.00 0.00 H new ATOM 1724 N ARG A 107 -23.364 -0.878 10.611 1.00 0.00 N ATOM 1725 CA ARG A 107 -23.330 -1.363 11.984 1.00 0.00 C ATOM 1726 C ARG A 107 -24.738 -1.853 12.290 1.00 0.00 C ATOM 1727 O ARG A 107 -25.712 -1.170 11.959 1.00 0.00 O ATOM 1728 CB ARG A 107 -22.849 -0.259 12.935 1.00 0.00 C ATOM 1729 CG ARG A 107 -22.782 -0.731 14.400 1.00 0.00 C ATOM 1730 CD ARG A 107 -21.888 0.169 15.263 1.00 0.00 C ATOM 1731 NE ARG A 107 -22.244 1.597 15.143 1.00 0.00 N ATOM 1732 CZ ARG A 107 -22.643 2.424 16.114 1.00 0.00 C ATOM 1733 NH1 ARG A 107 -22.746 2.021 17.374 1.00 0.00 N ATOM 1734 NH2 ARG A 107 -22.939 3.685 15.828 1.00 0.00 N ATOM 0 H ARG A 107 -23.579 0.116 10.534 1.00 0.00 H new ATOM 0 HA ARG A 107 -22.620 -2.179 12.120 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -21.863 0.082 12.621 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -23.520 0.597 12.863 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -23.788 -0.749 14.820 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -22.404 -1.753 14.433 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -21.969 -0.136 16.306 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -20.847 0.031 14.970 1.00 0.00 H new ATOM 0 HE ARG A 107 -22.178 2.000 14.208 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -22.518 1.058 17.622 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -23.053 2.674 18.095 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -22.862 4.022 14.868 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -23.244 4.318 16.568 1.00 0.00 H new ATOM 1748 N ILE A 108 -24.858 -3.040 12.858 1.00 0.00 N ATOM 1749 CA ILE A 108 -26.103 -3.690 13.227 1.00 0.00 C ATOM 1750 C ILE A 108 -25.954 -3.974 14.718 1.00 0.00 C ATOM 1751 O ILE A 108 -24.844 -4.217 15.189 1.00 0.00 O ATOM 1752 CB ILE A 108 -26.285 -5.011 12.430 1.00 0.00 C ATOM 1753 CG1 ILE A 108 -25.794 -4.987 10.964 1.00 0.00 C ATOM 1754 CG2 ILE A 108 -27.741 -5.511 12.486 1.00 0.00 C ATOM 1755 CD1 ILE A 108 -26.555 -4.064 10.013 1.00 0.00 C ATOM 0 H ILE A 108 -24.043 -3.608 13.087 1.00 0.00 H new ATOM 0 HA ILE A 108 -26.977 -3.076 13.008 1.00 0.00 H new ATOM 0 HB ILE A 108 -25.626 -5.710 12.945 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -24.744 -4.694 10.959 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -25.844 -6.002 10.569 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -27.830 -6.437 11.917 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -28.023 -5.693 13.523 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -28.401 -4.757 12.057 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -26.121 -4.132 9.015 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -27.602 -4.365 9.974 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -26.486 -3.036 10.370 1.00 0.00 H new ATOM 1767 N ARG A 109 -27.066 -4.044 15.449 1.00 0.00 N ATOM 1768 CA ARG A 109 -27.042 -4.316 16.888 1.00 0.00 C ATOM 1769 C ARG A 109 -26.274 -5.601 17.229 1.00 0.00 C ATOM 1770 O ARG A 109 -25.719 -5.716 18.320 1.00 0.00 O ATOM 1771 CB ARG A 109 -28.479 -4.270 17.431 1.00 0.00 C ATOM 1772 CG ARG A 109 -29.409 -5.375 16.903 1.00 0.00 C ATOM 1773 CD ARG A 109 -30.884 -5.004 17.107 1.00 0.00 C ATOM 1774 NE ARG A 109 -31.389 -4.163 16.004 1.00 0.00 N ATOM 1775 CZ ARG A 109 -32.668 -3.867 15.743 1.00 0.00 C ATOM 1776 NH1 ARG A 109 -33.626 -4.126 16.624 1.00 0.00 N ATOM 1777 NH2 ARG A 109 -32.978 -3.298 14.587 1.00 0.00 N ATOM 0 H ARG A 109 -28.002 -3.915 15.066 1.00 0.00 H new ATOM 0 HA ARG A 109 -26.476 -3.537 17.399 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -28.443 -4.335 18.518 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -28.914 -3.301 17.184 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -29.216 -5.540 15.843 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -29.193 -6.312 17.416 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -31.482 -5.912 17.176 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -30.999 -4.474 18.052 1.00 0.00 H new ATOM 0 HE ARG A 109 -30.691 -3.766 15.375 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -33.393 -4.558 17.518 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -34.595 -3.893 16.407 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -32.246 -3.091 13.908 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -33.949 -3.068 14.376 1.00 0.00 H new ATOM 1791 N THR A 110 -26.230 -6.560 16.304 1.00 0.00 N ATOM 1792 CA THR A 110 -25.527 -7.811 16.493 1.00 0.00 C ATOM 1793 C THR A 110 -24.017 -7.646 16.240 1.00 0.00 C ATOM 1794 O THR A 110 -23.230 -8.263 16.964 1.00 0.00 O ATOM 1795 CB THR A 110 -26.209 -8.882 15.624 1.00 0.00 C ATOM 1796 OG1 THR A 110 -25.721 -10.160 15.934 1.00 0.00 O ATOM 1797 CG2 THR A 110 -26.084 -8.671 14.116 1.00 0.00 C ATOM 0 H THR A 110 -26.689 -6.481 15.396 1.00 0.00 H new ATOM 0 HA THR A 110 -25.589 -8.143 17.529 1.00 0.00 H new ATOM 0 HB THR A 110 -27.267 -8.789 15.868 1.00 0.00 H new ATOM 0 HG1 THR A 110 -26.168 -10.826 15.372 1.00 0.00 H new ATOM 0 HG21 THR A 110 -26.597 -9.478 13.592 1.00 0.00 H new ATOM 0 HG22 THR A 110 -26.535 -7.717 13.844 1.00 0.00 H new ATOM 0 HG23 THR A 110 -25.031 -8.668 13.835 1.00 0.00 H new ATOM 1805 N ASP A 111 -23.601 -6.867 15.228 1.00 0.00 N ATOM 1806 CA ASP A 111 -22.195 -6.630 14.865 1.00 0.00 C ATOM 1807 C ASP A 111 -22.078 -5.649 13.688 1.00 0.00 C ATOM 1808 O ASP A 111 -23.089 -5.211 13.136 1.00 0.00 O ATOM 1809 CB ASP A 111 -21.483 -7.933 14.433 1.00 0.00 C ATOM 1810 CG ASP A 111 -19.963 -7.844 14.621 1.00 0.00 C ATOM 1811 OD1 ASP A 111 -19.466 -6.838 15.183 1.00 0.00 O ATOM 1812 OD2 ASP A 111 -19.272 -8.818 14.249 1.00 0.00 O ATOM 0 H ASP A 111 -24.254 -6.370 14.622 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.726 -6.221 15.760 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -21.872 -8.769 15.014 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -21.708 -8.140 13.387 1.00 0.00 H new ATOM 1817 N THR A 112 -20.858 -5.311 13.271 1.00 0.00 N ATOM 1818 CA THR A 112 -20.560 -4.415 12.168 1.00 0.00 C ATOM 1819 C THR A 112 -20.213 -5.249 10.928 1.00 0.00 C ATOM 1820 O THR A 112 -19.571 -6.301 11.004 1.00 0.00 O ATOM 1821 CB THR A 112 -19.412 -3.488 12.577 1.00 0.00 C ATOM 1822 OG1 THR A 112 -19.691 -2.814 13.787 1.00 0.00 O ATOM 1823 CG2 THR A 112 -19.075 -2.434 11.517 1.00 0.00 C ATOM 0 H THR A 112 -20.016 -5.674 13.717 1.00 0.00 H new ATOM 0 HA THR A 112 -21.422 -3.794 11.924 1.00 0.00 H new ATOM 0 HB THR A 112 -18.553 -4.148 12.698 1.00 0.00 H new ATOM 0 HG1 THR A 112 -18.937 -2.233 14.019 1.00 0.00 H new ATOM 0 HG21 THR A 112 -18.253 -1.811 11.871 1.00 0.00 H new ATOM 0 HG22 THR A 112 -18.782 -2.930 10.592 1.00 0.00 H new ATOM 0 HG23 THR A 112 -19.950 -1.810 11.333 1.00 0.00 H new ATOM 1831 N TYR A 113 -20.617 -4.745 9.765 1.00 0.00 N ATOM 1832 CA TYR A 113 -20.426 -5.351 8.461 1.00 0.00 C ATOM 1833 C TYR A 113 -20.155 -4.236 7.446 1.00 0.00 C ATOM 1834 O TYR A 113 -20.382 -3.058 7.729 1.00 0.00 O ATOM 1835 CB TYR A 113 -21.722 -6.086 8.047 1.00 0.00 C ATOM 1836 CG TYR A 113 -22.288 -7.147 8.983 1.00 0.00 C ATOM 1837 CD1 TYR A 113 -22.896 -6.774 10.198 1.00 0.00 C ATOM 1838 CD2 TYR A 113 -22.283 -8.504 8.611 1.00 0.00 C ATOM 1839 CE1 TYR A 113 -23.465 -7.737 11.046 1.00 0.00 C ATOM 1840 CE2 TYR A 113 -22.874 -9.470 9.443 1.00 0.00 C ATOM 1841 CZ TYR A 113 -23.467 -9.092 10.668 1.00 0.00 C ATOM 1842 OH TYR A 113 -24.119 -9.987 11.459 1.00 0.00 O ATOM 0 H TYR A 113 -21.112 -3.855 9.710 1.00 0.00 H new ATOM 0 HA TYR A 113 -19.594 -6.054 8.494 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -22.495 -5.333 7.893 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -21.541 -6.558 7.082 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -22.925 -5.732 10.481 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -21.823 -8.805 7.681 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -23.901 -7.438 11.988 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -22.875 -10.508 9.144 1.00 0.00 H new ATOM 0 HH TYR A 113 -24.037 -10.884 11.074 1.00 0.00 H new ATOM 1852 N VAL A 114 -19.715 -4.590 6.245 1.00 0.00 N ATOM 1853 CA VAL A 114 -19.437 -3.685 5.137 1.00 0.00 C ATOM 1854 C VAL A 114 -20.323 -4.137 3.982 1.00 0.00 C ATOM 1855 O VAL A 114 -20.742 -5.299 3.913 1.00 0.00 O ATOM 1856 CB VAL A 114 -17.929 -3.690 4.778 1.00 0.00 C ATOM 1857 CG1 VAL A 114 -17.573 -3.149 3.385 1.00 0.00 C ATOM 1858 CG2 VAL A 114 -17.156 -2.834 5.785 1.00 0.00 C ATOM 0 H VAL A 114 -19.533 -5.565 6.006 1.00 0.00 H new ATOM 0 HA VAL A 114 -19.663 -2.650 5.394 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.656 -4.745 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.494 -3.199 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -18.070 -3.750 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -17.903 -2.113 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.096 -2.840 5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -17.531 -1.811 5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -17.290 -3.241 6.787 1.00 0.00 H new ATOM 1868 N LYS A 115 -20.669 -3.200 3.109 1.00 0.00 N ATOM 1869 CA LYS A 115 -21.459 -3.365 1.905 1.00 0.00 C ATOM 1870 C LYS A 115 -20.537 -2.949 0.775 1.00 0.00 C ATOM 1871 O LYS A 115 -19.699 -2.064 0.974 1.00 0.00 O ATOM 1872 CB LYS A 115 -22.695 -2.461 1.920 1.00 0.00 C ATOM 1873 CG LYS A 115 -23.973 -3.305 1.973 1.00 0.00 C ATOM 1874 CD LYS A 115 -25.112 -2.638 1.206 1.00 0.00 C ATOM 1875 CE LYS A 115 -24.899 -2.731 -0.316 1.00 0.00 C ATOM 1876 NZ LYS A 115 -25.578 -1.641 -1.044 1.00 0.00 N ATOM 0 H LYS A 115 -20.380 -2.231 3.239 1.00 0.00 H new ATOM 0 HA LYS A 115 -21.821 -4.388 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -22.656 -1.795 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -22.704 -1.831 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -23.777 -4.291 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -24.270 -3.454 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -26.057 -3.112 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -25.186 -1.591 1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -23.831 -2.701 -0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -25.270 -3.691 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -25.406 -1.745 -2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -26.600 -1.684 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -25.206 -0.724 -0.722 1.00 0.00 H new ATOM 1890 N LEU A 116 -20.718 -3.557 -0.392 1.00 0.00 N ATOM 1891 CA LEU A 116 -19.909 -3.263 -1.556 1.00 0.00 C ATOM 1892 C LEU A 116 -20.735 -3.402 -2.809 1.00 0.00 C ATOM 1893 O LEU A 116 -21.830 -3.974 -2.784 1.00 0.00 O ATOM 1894 CB LEU A 116 -18.733 -4.237 -1.581 1.00 0.00 C ATOM 1895 CG LEU A 116 -17.528 -3.885 -2.459 1.00 0.00 C ATOM 1896 CD1 LEU A 116 -17.493 -4.458 -3.881 1.00 0.00 C ATOM 1897 CD2 LEU A 116 -17.134 -2.414 -2.388 1.00 0.00 C ATOM 0 H LEU A 116 -21.432 -4.268 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 116 -19.539 -2.239 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -18.377 -4.358 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -19.110 -5.208 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 116 -16.734 -4.453 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -16.585 -4.127 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -17.506 -5.547 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -18.364 -4.108 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.274 -2.236 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -17.970 -1.797 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -16.876 -2.156 -1.361 1.00 0.00 H new ATOM 1909 N ASP A 117 -20.208 -2.856 -3.898 1.00 0.00 N ATOM 1910 CA ASP A 117 -20.866 -2.906 -5.201 1.00 0.00 C ATOM 1911 C ASP A 117 -19.990 -3.553 -6.257 1.00 0.00 C ATOM 1912 O ASP A 117 -19.064 -2.967 -6.816 1.00 0.00 O ATOM 1913 CB ASP A 117 -21.449 -1.586 -5.700 1.00 0.00 C ATOM 1914 CG ASP A 117 -22.759 -1.899 -6.425 1.00 0.00 C ATOM 1915 OD1 ASP A 117 -22.772 -2.865 -7.223 1.00 0.00 O ATOM 1916 OD2 ASP A 117 -23.812 -1.317 -6.067 1.00 0.00 O ATOM 0 H ASP A 117 -19.313 -2.366 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 117 -21.734 -3.541 -5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -21.627 -0.907 -4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -20.749 -1.089 -6.372 1.00 0.00 H new ATOM 1921 N LYS A 118 -20.244 -4.823 -6.505 1.00 0.00 N ATOM 1922 CA LYS A 118 -19.514 -5.605 -7.493 1.00 0.00 C ATOM 1923 C LYS A 118 -19.867 -5.195 -8.928 1.00 0.00 C ATOM 1924 O LYS A 118 -19.164 -5.651 -9.831 1.00 0.00 O ATOM 1925 CB LYS A 118 -19.840 -7.091 -7.283 1.00 0.00 C ATOM 1926 CG LYS A 118 -19.310 -7.622 -5.941 1.00 0.00 C ATOM 1927 CD LYS A 118 -19.838 -9.021 -5.601 1.00 0.00 C ATOM 1928 CE LYS A 118 -21.264 -9.040 -5.035 1.00 0.00 C ATOM 1929 NZ LYS A 118 -22.317 -9.127 -6.068 1.00 0.00 N ATOM 0 H LYS A 118 -20.971 -5.350 -6.022 1.00 0.00 H new ATOM 0 HA LYS A 118 -18.448 -5.421 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -20.920 -7.233 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -19.409 -7.674 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -18.221 -7.648 -5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -19.590 -6.931 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -19.809 -9.636 -6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -19.167 -9.483 -4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -21.364 -9.887 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -21.422 -8.138 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -22.936 -8.294 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -21.877 -9.160 -7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -22.880 -9.989 -5.918 1.00 0.00 H new ATOM 1943 N ALA A 119 -20.910 -4.381 -9.141 1.00 0.00 N ATOM 1944 CA ALA A 119 -21.363 -3.957 -10.464 1.00 0.00 C ATOM 1945 C ALA A 119 -20.915 -2.556 -10.882 1.00 0.00 C ATOM 1946 O ALA A 119 -21.268 -2.123 -11.985 1.00 0.00 O ATOM 1947 CB ALA A 119 -22.892 -4.054 -10.504 1.00 0.00 C ATOM 0 H ALA A 119 -21.470 -3.994 -8.381 1.00 0.00 H new ATOM 0 HA ALA A 119 -20.894 -4.626 -11.185 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -23.251 -3.741 -11.485 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -23.196 -5.084 -10.318 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -23.318 -3.406 -9.738 1.00 0.00 H new ATOM 1953 N VAL A 120 -20.222 -1.810 -10.019 1.00 0.00 N ATOM 1954 CA VAL A 120 -19.767 -0.478 -10.394 1.00 0.00 C ATOM 1955 C VAL A 120 -18.571 -0.629 -11.349 1.00 0.00 C ATOM 1956 O VAL A 120 -17.926 -1.680 -11.398 1.00 0.00 O ATOM 1957 CB VAL A 120 -19.492 0.345 -9.124 1.00 0.00 C ATOM 1958 CG1 VAL A 120 -18.168 -0.030 -8.466 1.00 0.00 C ATOM 1959 CG2 VAL A 120 -19.510 1.856 -9.377 1.00 0.00 C ATOM 0 H VAL A 120 -19.969 -2.102 -9.075 1.00 0.00 H new ATOM 0 HA VAL A 120 -20.526 0.084 -10.938 1.00 0.00 H new ATOM 0 HB VAL A 120 -20.310 0.097 -8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -18.020 0.579 -7.574 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -18.186 -1.084 -8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -17.351 0.147 -9.166 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -19.310 2.383 -8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -18.745 2.111 -10.110 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -20.488 2.150 -9.757 1.00 0.00 H new ATOM 1969 N ASP A 121 -18.259 0.432 -12.090 1.00 0.00 N ATOM 1970 CA ASP A 121 -17.168 0.484 -13.056 1.00 0.00 C ATOM 1971 C ASP A 121 -15.815 0.444 -12.349 1.00 0.00 C ATOM 1972 O ASP A 121 -15.275 1.483 -11.956 1.00 0.00 O ATOM 1973 CB ASP A 121 -17.312 1.751 -13.912 1.00 0.00 C ATOM 1974 CG ASP A 121 -17.362 1.474 -15.401 1.00 0.00 C ATOM 1975 OD1 ASP A 121 -16.512 0.707 -15.906 1.00 0.00 O ATOM 1976 OD2 ASP A 121 -18.242 2.091 -16.043 1.00 0.00 O ATOM 0 H ASP A 121 -18.778 1.308 -12.031 1.00 0.00 H new ATOM 0 HA ASP A 121 -17.218 -0.389 -13.706 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.220 2.277 -13.618 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -16.476 2.418 -13.703 1.00 0.00 H new ATOM 1981 N LEU A 122 -15.238 -0.745 -12.167 1.00 0.00 N ATOM 1982 CA LEU A 122 -13.943 -0.837 -11.503 1.00 0.00 C ATOM 1983 C LEU A 122 -12.887 -0.110 -12.335 1.00 0.00 C ATOM 1984 O LEU A 122 -11.965 0.457 -11.762 1.00 0.00 O ATOM 1985 CB LEU A 122 -13.558 -2.291 -11.203 1.00 0.00 C ATOM 1986 CG LEU A 122 -12.805 -2.498 -9.874 1.00 0.00 C ATOM 1987 CD1 LEU A 122 -11.462 -1.785 -9.767 1.00 0.00 C ATOM 1988 CD2 LEU A 122 -13.660 -2.127 -8.656 1.00 0.00 C ATOM 0 H LEU A 122 -15.637 -1.636 -12.463 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.008 -0.343 -10.533 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -14.464 -2.897 -11.189 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -12.938 -2.664 -12.018 1.00 0.00 H new ATOM 0 HG LEU A 122 -12.596 -3.568 -9.877 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -11.015 -1.995 -8.795 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -10.798 -2.139 -10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.611 -0.710 -9.873 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.085 -2.290 -7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -13.949 -1.078 -8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.555 -2.749 -8.637 1.00 0.00 H new ATOM 2000 N ALA A 123 -13.016 -0.085 -13.668 1.00 0.00 N ATOM 2001 CA ALA A 123 -12.062 0.621 -14.516 1.00 0.00 C ATOM 2002 C ALA A 123 -12.061 2.104 -14.138 1.00 0.00 C ATOM 2003 O ALA A 123 -10.998 2.697 -13.940 1.00 0.00 O ATOM 2004 CB ALA A 123 -12.400 0.434 -16.000 1.00 0.00 C ATOM 0 H ALA A 123 -13.771 -0.546 -14.176 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.066 0.207 -14.357 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -11.673 0.971 -16.609 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -12.370 -0.627 -16.249 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -13.398 0.825 -16.198 1.00 0.00 H new ATOM 2010 N GLY A 124 -13.261 2.680 -14.004 1.00 0.00 N ATOM 2011 CA GLY A 124 -13.455 4.072 -13.647 1.00 0.00 C ATOM 2012 C GLY A 124 -12.867 4.372 -12.278 1.00 0.00 C ATOM 2013 O GLY A 124 -12.211 5.408 -12.113 1.00 0.00 O ATOM 0 H GLY A 124 -14.135 2.174 -14.145 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -12.987 4.711 -14.395 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -14.520 4.306 -13.648 1.00 0.00 H new ATOM 2017 N LEU A 125 -13.092 3.466 -11.318 1.00 0.00 N ATOM 2018 CA LEU A 125 -12.590 3.590 -9.959 1.00 0.00 C ATOM 2019 C LEU A 125 -11.068 3.527 -9.991 1.00 0.00 C ATOM 2020 O LEU A 125 -10.442 4.482 -9.550 1.00 0.00 O ATOM 2021 CB LEU A 125 -13.195 2.544 -9.013 1.00 0.00 C ATOM 2022 CG LEU A 125 -14.707 2.717 -8.759 1.00 0.00 C ATOM 2023 CD1 LEU A 125 -15.185 1.642 -7.786 1.00 0.00 C ATOM 2024 CD2 LEU A 125 -15.083 4.098 -8.206 1.00 0.00 C ATOM 0 H LEU A 125 -13.636 2.617 -11.474 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.899 4.554 -9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -13.019 1.551 -9.428 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -12.671 2.588 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 125 -15.197 2.620 -9.728 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -16.253 1.763 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -14.999 0.656 -8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -14.645 1.738 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -16.161 4.147 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -14.573 4.261 -7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -14.782 4.868 -8.916 1.00 0.00 H new ATOM 2036 N THR A 126 -10.467 2.464 -10.535 1.00 0.00 N ATOM 2037 CA THR A 126 -9.016 2.322 -10.630 1.00 0.00 C ATOM 2038 C THR A 126 -8.380 3.571 -11.249 1.00 0.00 C ATOM 2039 O THR A 126 -7.370 4.038 -10.724 1.00 0.00 O ATOM 2040 CB THR A 126 -8.682 1.032 -11.402 1.00 0.00 C ATOM 2041 OG1 THR A 126 -8.899 -0.088 -10.560 1.00 0.00 O ATOM 2042 CG2 THR A 126 -7.235 0.965 -11.908 1.00 0.00 C ATOM 0 H THR A 126 -10.981 1.673 -10.924 1.00 0.00 H new ATOM 0 HA THR A 126 -8.587 2.233 -9.632 1.00 0.00 H new ATOM 0 HB THR A 126 -9.335 1.027 -12.274 1.00 0.00 H new ATOM 0 HG1 THR A 126 -8.689 -0.911 -11.049 1.00 0.00 H new ATOM 0 HG21 THR A 126 -7.079 0.027 -12.441 1.00 0.00 H new ATOM 0 HG22 THR A 126 -7.046 1.801 -12.582 1.00 0.00 H new ATOM 0 HG23 THR A 126 -6.551 1.019 -11.061 1.00 0.00 H new ATOM 2050 N ALA A 127 -8.965 4.140 -12.308 1.00 0.00 N ATOM 2051 CA ALA A 127 -8.420 5.329 -12.942 1.00 0.00 C ATOM 2052 C ALA A 127 -8.398 6.510 -11.965 1.00 0.00 C ATOM 2053 O ALA A 127 -7.320 7.026 -11.680 1.00 0.00 O ATOM 2054 CB ALA A 127 -9.195 5.641 -14.223 1.00 0.00 C ATOM 0 H ALA A 127 -9.820 3.789 -12.740 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.384 5.142 -13.224 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.780 6.533 -14.691 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.115 4.799 -14.911 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.244 5.813 -13.981 1.00 0.00 H new ATOM 2060 N ARG A 128 -9.547 6.940 -11.419 1.00 0.00 N ATOM 2061 CA ARG A 128 -9.568 8.081 -10.484 1.00 0.00 C ATOM 2062 C ARG A 128 -8.676 7.845 -9.266 1.00 0.00 C ATOM 2063 O ARG A 128 -8.023 8.773 -8.784 1.00 0.00 O ATOM 2064 CB ARG A 128 -11.003 8.474 -10.074 1.00 0.00 C ATOM 2065 CG ARG A 128 -11.785 7.403 -9.296 1.00 0.00 C ATOM 2066 CD ARG A 128 -13.190 7.885 -8.919 1.00 0.00 C ATOM 2067 NE ARG A 128 -14.074 7.970 -10.095 1.00 0.00 N ATOM 2068 CZ ARG A 128 -15.292 8.526 -10.124 1.00 0.00 C ATOM 2069 NH1 ARG A 128 -15.799 9.122 -9.050 1.00 0.00 N ATOM 2070 NH2 ARG A 128 -15.991 8.474 -11.251 1.00 0.00 N ATOM 0 H ARG A 128 -10.460 6.524 -11.603 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.150 8.930 -11.025 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -10.954 9.377 -9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -11.563 8.726 -10.974 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -11.861 6.498 -9.899 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -11.237 7.138 -8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -13.624 7.204 -8.187 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -13.123 8.863 -8.443 1.00 0.00 H new ATOM 0 HE ARG A 128 -13.727 7.569 -10.966 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -15.259 9.161 -8.186 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -16.728 9.540 -9.090 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -15.599 8.017 -12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -16.921 8.891 -11.294 1.00 0.00 H new ATOM 2084 N LEU A 129 -8.634 6.601 -8.795 1.00 0.00 N ATOM 2085 CA LEU A 129 -7.859 6.154 -7.652 1.00 0.00 C ATOM 2086 C LEU A 129 -6.365 6.358 -7.933 1.00 0.00 C ATOM 2087 O LEU A 129 -5.696 7.047 -7.168 1.00 0.00 O ATOM 2088 CB LEU A 129 -8.263 4.693 -7.381 1.00 0.00 C ATOM 2089 CG LEU A 129 -7.749 4.046 -6.093 1.00 0.00 C ATOM 2090 CD1 LEU A 129 -8.307 4.755 -4.854 1.00 0.00 C ATOM 2091 CD2 LEU A 129 -8.180 2.572 -6.095 1.00 0.00 C ATOM 0 H LEU A 129 -9.167 5.845 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.061 6.731 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -9.352 4.641 -7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.922 4.088 -8.221 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.663 4.128 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -7.924 4.272 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -7.999 5.801 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -9.395 4.697 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -7.825 2.088 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -9.267 2.511 -6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -7.754 2.070 -6.963 1.00 0.00 H new ATOM 2103 N ALA A 130 -5.848 5.798 -9.032 1.00 0.00 N ATOM 2104 CA ALA A 130 -4.440 5.896 -9.434 1.00 0.00 C ATOM 2105 C ALA A 130 -4.046 7.295 -9.928 1.00 0.00 C ATOM 2106 O ALA A 130 -2.857 7.623 -9.969 1.00 0.00 O ATOM 2107 CB ALA A 130 -4.158 4.857 -10.523 1.00 0.00 C ATOM 0 H ALA A 130 -6.411 5.250 -9.683 1.00 0.00 H new ATOM 0 HA ALA A 130 -3.835 5.702 -8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -3.113 4.923 -10.827 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -4.360 3.859 -10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -4.799 5.048 -11.383 1.00 0.00 H new ATOM 2113 N HIS A 131 -5.013 8.126 -10.325 1.00 0.00 N ATOM 2114 CA HIS A 131 -4.764 9.489 -10.792 1.00 0.00 C ATOM 2115 C HIS A 131 -4.582 10.455 -9.607 1.00 0.00 C ATOM 2116 O HIS A 131 -4.196 11.609 -9.820 1.00 0.00 O ATOM 2117 CB HIS A 131 -5.912 9.942 -11.707 1.00 0.00 C ATOM 2118 CG HIS A 131 -5.708 9.582 -13.157 1.00 0.00 C ATOM 2119 ND1 HIS A 131 -5.726 10.471 -14.203 1.00 0.00 N ATOM 2120 CD2 HIS A 131 -5.397 8.345 -13.664 1.00 0.00 C ATOM 2121 CE1 HIS A 131 -5.429 9.788 -15.321 1.00 0.00 C ATOM 2122 NE2 HIS A 131 -5.236 8.483 -15.048 1.00 0.00 N ATOM 0 H HIS A 131 -6.000 7.868 -10.331 1.00 0.00 H new ATOM 0 HA HIS A 131 -3.837 9.501 -11.365 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.842 9.494 -11.358 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -6.028 11.023 -11.623 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -5.295 7.431 -13.098 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.355 10.226 -16.305 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -5.017 7.744 -15.716 1.00 0.00 H new ATOM 2130 N HIS A 132 -4.893 10.011 -8.378 1.00 0.00 N ATOM 2131 CA HIS A 132 -4.776 10.761 -7.126 1.00 0.00 C ATOM 2132 C HIS A 132 -5.402 12.170 -7.193 1.00 0.00 C ATOM 2133 O HIS A 132 -4.990 13.058 -6.455 1.00 0.00 O ATOM 2134 CB HIS A 132 -3.285 10.775 -6.707 1.00 0.00 C ATOM 2135 CG HIS A 132 -2.612 9.417 -6.665 1.00 0.00 C ATOM 2136 ND1 HIS A 132 -1.423 9.087 -7.283 1.00 0.00 N ATOM 2137 CD2 HIS A 132 -3.064 8.286 -6.032 1.00 0.00 C ATOM 2138 CE1 HIS A 132 -1.182 7.788 -7.043 1.00 0.00 C ATOM 2139 NE2 HIS A 132 -2.149 7.253 -6.277 1.00 0.00 N ATOM 0 H HIS A 132 -5.252 9.068 -8.228 1.00 0.00 H new ATOM 0 HA HIS A 132 -5.361 10.258 -6.356 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -2.736 11.413 -7.399 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -3.206 11.232 -5.721 1.00 0.00 H new ATOM 0 HD1 HIS A 132 -0.833 9.717 -7.825 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -3.968 8.206 -5.447 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -0.326 7.245 -7.415 1.00 0.00 H new ATOM 2147 N VAL A 133 -6.434 12.373 -8.028 1.00 0.00 N ATOM 2148 CA VAL A 133 -7.136 13.632 -8.275 1.00 0.00 C ATOM 2149 C VAL A 133 -7.394 14.415 -6.987 1.00 0.00 C ATOM 2150 O VAL A 133 -6.930 15.548 -6.852 1.00 0.00 O ATOM 2151 CB VAL A 133 -8.448 13.413 -9.078 1.00 0.00 C ATOM 2152 CG1 VAL A 133 -8.815 14.697 -9.836 1.00 0.00 C ATOM 2153 CG2 VAL A 133 -8.429 12.246 -10.081 1.00 0.00 C ATOM 0 H VAL A 133 -6.821 11.609 -8.582 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.473 14.241 -8.890 1.00 0.00 H new ATOM 0 HB VAL A 133 -9.190 13.150 -8.323 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -9.736 14.538 -10.397 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -8.960 15.510 -9.125 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -8.011 14.956 -10.525 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -9.393 12.184 -10.585 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.644 12.413 -10.818 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.236 11.313 -9.551 1.00 0.00 H new ATOM 2163 N HIS A 134 -8.122 13.804 -6.053 1.00 0.00 N ATOM 2164 CA HIS A 134 -8.484 14.382 -4.767 1.00 0.00 C ATOM 2165 C HIS A 134 -7.817 13.646 -3.599 1.00 0.00 C ATOM 2166 O HIS A 134 -8.300 13.693 -2.470 1.00 0.00 O ATOM 2167 CB HIS A 134 -10.017 14.426 -4.656 1.00 0.00 C ATOM 2168 CG HIS A 134 -10.688 13.077 -4.789 1.00 0.00 C ATOM 2169 ND1 HIS A 134 -11.078 12.257 -3.758 1.00 0.00 N ATOM 2170 CD2 HIS A 134 -11.058 12.467 -5.955 1.00 0.00 C ATOM 2171 CE1 HIS A 134 -11.699 11.195 -4.294 1.00 0.00 C ATOM 2172 NE2 HIS A 134 -11.694 11.260 -5.641 1.00 0.00 N ATOM 0 H HIS A 134 -8.487 12.860 -6.179 1.00 0.00 H new ATOM 0 HA HIS A 134 -8.107 15.403 -4.707 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -10.288 14.861 -3.694 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -10.407 15.091 -5.427 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -10.888 12.851 -6.950 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -12.144 10.394 -3.722 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -12.074 10.574 -6.294 1.00 0.00 H new ATOM 2180 N ALA A 135 -6.769 12.869 -3.886 1.00 0.00 N ATOM 2181 CA ALA A 135 -6.050 12.112 -2.881 1.00 0.00 C ATOM 2182 C ALA A 135 -4.862 12.916 -2.349 1.00 0.00 C ATOM 2183 O ALA A 135 -4.529 13.998 -2.842 1.00 0.00 O ATOM 2184 CB ALA A 135 -5.586 10.784 -3.492 1.00 0.00 C ATOM 0 H ALA A 135 -6.401 12.753 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 135 -6.710 11.906 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -5.044 10.208 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -6.453 10.216 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -4.931 10.983 -4.340 1.00 0.00 H new ATOM 2190 N GLU A 136 -4.198 12.326 -1.356 1.00 0.00 N ATOM 2191 CA GLU A 136 -3.023 12.890 -0.701 1.00 0.00 C ATOM 2192 C GLU A 136 -1.999 11.798 -0.378 1.00 0.00 C ATOM 2193 O GLU A 136 -0.795 12.058 -0.376 1.00 0.00 O ATOM 2194 CB GLU A 136 -3.446 13.678 0.550 1.00 0.00 C ATOM 2195 CG GLU A 136 -4.249 12.883 1.591 1.00 0.00 C ATOM 2196 CD GLU A 136 -4.821 13.795 2.680 1.00 0.00 C ATOM 2197 OE1 GLU A 136 -5.732 14.599 2.393 1.00 0.00 O ATOM 2198 OE2 GLU A 136 -4.411 13.691 3.861 1.00 0.00 O ATOM 0 H GLU A 136 -4.471 11.419 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 136 -2.535 13.586 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.550 14.071 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -4.041 14.535 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -5.062 12.353 1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.608 12.129 2.047 1.00 0.00 H new ATOM 2205 N GLY A 137 -2.447 10.552 -0.197 1.00 0.00 N ATOM 2206 CA GLY A 137 -1.602 9.413 0.128 1.00 0.00 C ATOM 2207 C GLY A 137 -1.706 9.178 1.625 1.00 0.00 C ATOM 2208 O GLY A 137 -0.828 9.602 2.376 1.00 0.00 O ATOM 0 H GLY A 137 -3.434 10.308 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -1.923 8.528 -0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -0.569 9.609 -0.158 1.00 0.00 H new ATOM 2212 N LEU A 138 -2.837 8.598 2.035 1.00 0.00 N ATOM 2213 CA LEU A 138 -3.152 8.271 3.420 1.00 0.00 C ATOM 2214 C LEU A 138 -2.125 7.271 3.909 1.00 0.00 C ATOM 2215 O LEU A 138 -1.543 7.540 4.985 1.00 0.00 O ATOM 2216 CB LEU A 138 -4.598 7.734 3.553 1.00 0.00 C ATOM 2217 CG LEU A 138 -5.635 8.847 3.801 1.00 0.00 C ATOM 2218 CD1 LEU A 138 -5.862 9.702 2.551 1.00 0.00 C ATOM 2219 CD2 LEU A 138 -6.973 8.260 4.244 1.00 0.00 C ATOM 0 H LEU A 138 -3.580 8.336 1.387 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.106 9.167 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.864 7.194 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -4.639 7.018 4.373 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.230 9.478 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -6.600 10.475 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -4.923 10.170 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -6.225 9.071 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.686 9.067 4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.353 7.595 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.836 7.698 5.168 1.00 0.00 H new TER 2231 LEU A 138