USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 797 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 3 THR OG1 : rot 1:sc= 0.846 USER MOD Single : A 7 SER OG : rot 180:sc= -0.713 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0407 USER MOD Single : A 18 CYS SG : rot -130:sc= 0.423 USER MOD Single : A 19 GLN : amide:sc= -0.449 X(o=-0.45,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.104 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0611) USER MOD Single : A 31 GLN : amide:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 33 SER OG : rot 154:sc= -4.09! USER MOD Single : A 35 MET CE :methyl 160:sc= -0.209 (180deg=-0.877) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.152 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.547 F(o=-1.7,f=-0.55) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.162 F(o=-1.6,f=-0.16) USER MOD Single : A 54 GLN : amide:sc= -0.8 K(o=-0.8,f=-4.3!) USER MOD Single : A 55 SER OG : rot -143:sc= -0.674! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.38 K(o=-1.4,f=-4.1!) USER MOD Single : A 72 SER OG : rot 21:sc= 1.4 USER MOD Single : A 78 THR OG1 : rot 51:sc= -0.113 USER MOD Single : A 80 SER OG : rot -35:sc= 0.0647 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 94:sc= 1.18 USER MOD Single : A 91 HIS : no HD1:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -2.27 K(o=-2.3,f=-2.9) USER MOD Single : A 105 MET CE :methyl -117:sc= -4.91! (180deg=-8.34!) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.994 F(o=-1.9,f=-0.99) USER MOD Single : A 108 SER OG : rot -47:sc= 0.836 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 4.447 -2.989 -3.857 1.00 52.21 N ATOM 32 CA THR A 3 5.861 -2.889 -3.518 1.00 34.24 C ATOM 33 C THR A 3 6.496 -4.270 -3.398 1.00 50.33 C ATOM 34 O THR A 3 7.513 -4.439 -2.726 1.00 23.30 O ATOM 35 CB THR A 3 6.069 -2.125 -2.196 1.00 54.05 C ATOM 36 OG1 THR A 3 4.806 -1.890 -1.562 1.00 63.14 O ATOM 37 CG2 THR A 3 6.772 -0.799 -2.443 1.00 63.13 C ATOM 0 HA THR A 3 6.342 -2.339 -4.327 1.00 34.24 H new ATOM 0 HB THR A 3 6.695 -2.734 -1.544 1.00 54.05 H new ATOM 0 HG1 THR A 3 4.090 -2.286 -2.102 1.00 63.14 H new ATOM 0 HG21 THR A 3 6.908 -0.277 -1.496 1.00 63.13 H new ATOM 0 HG22 THR A 3 7.745 -0.982 -2.899 1.00 63.13 H new ATOM 0 HG23 THR A 3 6.168 -0.186 -3.111 1.00 63.13 H new ATOM 45 N ASP A 4 5.891 -5.253 -4.055 1.00 33.10 N ATOM 46 CA ASP A 4 6.399 -6.620 -4.024 1.00 11.41 C ATOM 47 C ASP A 4 6.650 -7.138 -5.436 1.00 71.33 C ATOM 48 O ASP A 4 7.175 -8.237 -5.620 1.00 42.33 O ATOM 49 CB ASP A 4 5.413 -7.537 -3.298 1.00 42.41 C ATOM 50 CG ASP A 4 5.729 -7.672 -1.821 1.00 75.44 C ATOM 51 OD1 ASP A 4 6.838 -8.142 -1.492 1.00 61.10 O ATOM 52 OD2 ASP A 4 4.866 -7.308 -0.995 1.00 62.31 O ATOM 0 H ASP A 4 5.048 -5.129 -4.616 1.00 33.10 H new ATOM 0 HA ASP A 4 7.346 -6.618 -3.484 1.00 11.41 H new ATOM 0 HB2 ASP A 4 4.403 -7.146 -3.416 1.00 42.41 H new ATOM 0 HB3 ASP A 4 5.429 -8.523 -3.762 1.00 42.41 H new ATOM 57 N ILE A 5 6.270 -6.342 -6.430 1.00 3.22 N ATOM 58 CA ILE A 5 6.454 -6.721 -7.825 1.00 44.11 C ATOM 59 C ILE A 5 7.126 -5.603 -8.615 1.00 4.45 C ATOM 60 O ILE A 5 8.236 -5.767 -9.124 1.00 30.05 O ATOM 61 CB ILE A 5 5.113 -7.072 -8.495 1.00 33.12 C ATOM 62 CG1 ILE A 5 4.376 -8.139 -7.682 1.00 50.21 C ATOM 63 CG2 ILE A 5 5.342 -7.549 -9.921 1.00 74.32 C ATOM 64 CD1 ILE A 5 3.357 -7.569 -6.721 1.00 14.03 C ATOM 0 H ILE A 5 5.833 -5.430 -6.295 1.00 3.22 H new ATOM 0 HA ILE A 5 7.095 -7.602 -7.830 1.00 44.11 H new ATOM 0 HB ILE A 5 4.494 -6.175 -8.528 1.00 33.12 H new ATOM 0 HG12 ILE A 5 3.875 -8.824 -8.366 1.00 50.21 H new ATOM 0 HG13 ILE A 5 5.104 -8.725 -7.121 1.00 50.21 H new ATOM 0 HG21 ILE A 5 4.385 -7.793 -10.381 1.00 74.32 H new ATOM 0 HG22 ILE A 5 5.830 -6.761 -10.494 1.00 74.32 H new ATOM 0 HG23 ILE A 5 5.976 -8.435 -9.911 1.00 74.32 H new ATOM 0 HD11 ILE A 5 2.874 -8.382 -6.179 1.00 14.03 H new ATOM 0 HD12 ILE A 5 3.855 -6.906 -6.013 1.00 14.03 H new ATOM 0 HD13 ILE A 5 2.607 -7.007 -7.277 1.00 14.03 H new ATOM 76 N LEU A 6 6.448 -4.464 -8.711 1.00 63.42 N ATOM 77 CA LEU A 6 6.980 -3.316 -9.437 1.00 63.23 C ATOM 78 C LEU A 6 7.629 -2.320 -8.481 1.00 62.53 C ATOM 79 O LEU A 6 7.310 -2.287 -7.293 1.00 30.20 O ATOM 80 CB LEU A 6 5.867 -2.629 -10.230 1.00 0.43 C ATOM 81 CG LEU A 6 5.363 -3.375 -11.465 1.00 72.40 C ATOM 82 CD1 LEU A 6 3.991 -2.863 -11.876 1.00 2.23 C ATOM 83 CD2 LEU A 6 6.352 -3.236 -12.613 1.00 71.21 C ATOM 0 H LEU A 6 5.529 -4.311 -8.295 1.00 63.42 H new ATOM 0 HA LEU A 6 7.742 -3.676 -10.129 1.00 63.23 H new ATOM 0 HB2 LEU A 6 5.022 -2.462 -9.562 1.00 0.43 H new ATOM 0 HB3 LEU A 6 6.224 -1.648 -10.544 1.00 0.43 H new ATOM 0 HG LEU A 6 5.273 -4.432 -11.215 1.00 72.40 H new ATOM 0 HD11 LEU A 6 3.649 -3.406 -12.757 1.00 2.23 H new ATOM 0 HD12 LEU A 6 3.286 -3.016 -11.059 1.00 2.23 H new ATOM 0 HD13 LEU A 6 4.054 -1.800 -12.107 1.00 2.23 H new ATOM 0 HD21 LEU A 6 5.977 -3.773 -13.484 1.00 71.21 H new ATOM 0 HD22 LEU A 6 6.474 -2.182 -12.862 1.00 71.21 H new ATOM 0 HD23 LEU A 6 7.315 -3.653 -12.317 1.00 71.21 H new ATOM 95 N SER A 7 8.540 -1.509 -9.009 1.00 24.11 N ATOM 96 CA SER A 7 9.236 -0.513 -8.202 1.00 74.02 C ATOM 97 C SER A 7 8.352 0.708 -7.967 1.00 10.24 C ATOM 98 O SER A 7 7.388 0.958 -8.691 1.00 20.22 O ATOM 99 CB SER A 7 10.537 -0.090 -8.886 1.00 24.51 C ATOM 100 OG SER A 7 11.659 -0.379 -8.070 1.00 22.05 O ATOM 0 H SER A 7 8.813 -1.522 -9.992 1.00 24.11 H new ATOM 0 HA SER A 7 9.471 -0.962 -7.237 1.00 74.02 H new ATOM 0 HB2 SER A 7 10.635 -0.607 -9.841 1.00 24.51 H new ATOM 0 HB3 SER A 7 10.507 0.978 -9.104 1.00 24.51 H new ATOM 0 HG SER A 7 12.478 -0.101 -8.530 1.00 22.05 H new ATOM 106 N PRO A 8 8.687 1.489 -6.929 1.00 23.34 N ATOM 107 CA PRO A 8 7.938 2.697 -6.573 1.00 1.44 C ATOM 108 C PRO A 8 8.118 3.813 -7.596 1.00 1.41 C ATOM 109 O PRO A 8 7.143 4.394 -8.073 1.00 3.31 O ATOM 110 CB PRO A 8 8.541 3.104 -5.226 1.00 0.52 C ATOM 111 CG PRO A 8 9.916 2.530 -5.237 1.00 14.30 C ATOM 112 CD PRO A 8 9.824 1.252 -6.023 1.00 32.41 C ATOM 0 HA PRO A 8 6.864 2.515 -6.537 1.00 1.44 H new ATOM 0 HB2 PRO A 8 8.566 4.188 -5.115 1.00 0.52 H new ATOM 0 HB3 PRO A 8 7.955 2.711 -4.395 1.00 0.52 H new ATOM 0 HG2 PRO A 8 10.624 3.220 -5.696 1.00 14.30 H new ATOM 0 HG3 PRO A 8 10.268 2.340 -4.223 1.00 14.30 H new ATOM 0 HD2 PRO A 8 10.743 1.053 -6.575 1.00 32.41 H new ATOM 0 HD3 PRO A 8 9.649 0.393 -5.375 1.00 32.41 H new ATOM 120 N SER A 9 9.371 4.108 -7.929 1.00 74.14 N ATOM 121 CA SER A 9 9.678 5.157 -8.894 1.00 41.23 C ATOM 122 C SER A 9 8.927 4.929 -10.203 1.00 3.13 C ATOM 123 O SER A 9 8.299 5.843 -10.738 1.00 64.32 O ATOM 124 CB SER A 9 11.184 5.210 -9.160 1.00 31.23 C ATOM 125 OG SER A 9 11.662 3.963 -9.634 1.00 21.12 O ATOM 0 H SER A 9 10.189 3.635 -7.545 1.00 74.14 H new ATOM 0 HA SER A 9 9.357 6.109 -8.472 1.00 41.23 H new ATOM 0 HB2 SER A 9 11.400 5.988 -9.892 1.00 31.23 H new ATOM 0 HB3 SER A 9 11.709 5.480 -8.244 1.00 31.23 H new ATOM 0 HG SER A 9 12.626 4.023 -9.798 1.00 21.12 H new ATOM 131 N ASP A 10 8.997 3.704 -10.712 1.00 2.05 N ATOM 132 CA ASP A 10 8.324 3.354 -11.957 1.00 32.33 C ATOM 133 C ASP A 10 6.823 3.604 -11.852 1.00 34.03 C ATOM 134 O ASP A 10 6.179 3.993 -12.826 1.00 51.35 O ATOM 135 CB ASP A 10 8.586 1.888 -12.308 1.00 53.43 C ATOM 136 CG ASP A 10 10.042 1.623 -12.634 1.00 63.34 C ATOM 137 OD1 ASP A 10 10.812 2.599 -12.746 1.00 5.10 O ATOM 138 OD2 ASP A 10 10.412 0.438 -12.779 1.00 11.42 O ATOM 0 H ASP A 10 9.513 2.937 -10.281 1.00 2.05 H new ATOM 0 HA ASP A 10 8.725 3.987 -12.749 1.00 32.33 H new ATOM 0 HB2 ASP A 10 8.283 1.257 -11.472 1.00 53.43 H new ATOM 0 HB3 ASP A 10 7.968 1.605 -13.161 1.00 53.43 H new ATOM 143 N ILE A 11 6.272 3.377 -10.664 1.00 72.10 N ATOM 144 CA ILE A 11 4.847 3.578 -10.432 1.00 71.14 C ATOM 145 C ILE A 11 4.509 5.062 -10.342 1.00 14.01 C ATOM 146 O ILE A 11 3.622 5.551 -11.042 1.00 21.24 O ATOM 147 CB ILE A 11 4.382 2.877 -9.142 1.00 51.31 C ATOM 148 CG1 ILE A 11 4.386 1.359 -9.330 1.00 63.23 C ATOM 149 CG2 ILE A 11 2.996 3.363 -8.745 1.00 51.34 C ATOM 150 CD1 ILE A 11 4.589 0.591 -8.043 1.00 21.11 C ATOM 0 H ILE A 11 6.791 3.054 -9.847 1.00 72.10 H new ATOM 0 HA ILE A 11 4.324 3.140 -11.282 1.00 71.14 H new ATOM 0 HB ILE A 11 5.077 3.127 -8.340 1.00 51.31 H new ATOM 0 HG12 ILE A 11 3.441 1.054 -9.780 1.00 63.23 H new ATOM 0 HG13 ILE A 11 5.175 1.090 -10.032 1.00 63.23 H new ATOM 0 HG21 ILE A 11 2.681 2.858 -7.832 1.00 51.34 H new ATOM 0 HG22 ILE A 11 3.023 4.439 -8.574 1.00 51.34 H new ATOM 0 HG23 ILE A 11 2.289 3.140 -9.544 1.00 51.34 H new ATOM 0 HD11 ILE A 11 4.581 -0.479 -8.252 1.00 21.11 H new ATOM 0 HD12 ILE A 11 5.547 0.867 -7.602 1.00 21.11 H new ATOM 0 HD13 ILE A 11 3.786 0.831 -7.346 1.00 21.11 H new ATOM 162 N ALA A 12 5.222 5.774 -9.476 1.00 44.33 N ATOM 163 CA ALA A 12 5.001 7.204 -9.297 1.00 32.31 C ATOM 164 C ALA A 12 5.137 7.951 -10.619 1.00 60.44 C ATOM 165 O ALA A 12 4.596 9.043 -10.784 1.00 52.44 O ATOM 166 CB ALA A 12 5.974 7.764 -8.270 1.00 35.24 C ATOM 0 H ALA A 12 5.958 5.384 -8.887 1.00 44.33 H new ATOM 0 HA ALA A 12 3.983 7.346 -8.933 1.00 32.31 H new ATOM 0 HB1 ALA A 12 5.798 8.833 -8.146 1.00 35.24 H new ATOM 0 HB2 ALA A 12 5.826 7.259 -7.315 1.00 35.24 H new ATOM 0 HB3 ALA A 12 6.996 7.602 -8.611 1.00 35.24 H new ATOM 172 N ALA A 13 5.864 7.354 -11.558 1.00 70.04 N ATOM 173 CA ALA A 13 6.070 7.963 -12.867 1.00 31.42 C ATOM 174 C ALA A 13 4.882 7.701 -13.787 1.00 4.10 C ATOM 175 O ALA A 13 4.635 8.457 -14.726 1.00 73.41 O ATOM 176 CB ALA A 13 7.353 7.440 -13.496 1.00 32.20 C ATOM 0 H ALA A 13 6.320 6.450 -11.437 1.00 70.04 H new ATOM 0 HA ALA A 13 6.159 9.041 -12.730 1.00 31.42 H new ATOM 0 HB1 ALA A 13 7.494 7.903 -14.473 1.00 32.20 H new ATOM 0 HB2 ALA A 13 8.199 7.684 -12.853 1.00 32.20 H new ATOM 0 HB3 ALA A 13 7.286 6.358 -13.613 1.00 32.20 H new ATOM 182 N ALA A 14 4.152 6.626 -13.511 1.00 74.22 N ATOM 183 CA ALA A 14 2.989 6.266 -14.314 1.00 23.23 C ATOM 184 C ALA A 14 1.727 6.937 -13.784 1.00 11.13 C ATOM 185 O ALA A 14 0.760 7.135 -14.521 1.00 62.10 O ATOM 186 CB ALA A 14 2.814 4.755 -14.341 1.00 23.42 C ATOM 0 H ALA A 14 4.345 5.989 -12.738 1.00 74.22 H new ATOM 0 HA ALA A 14 3.157 6.620 -15.331 1.00 23.23 H new ATOM 0 HB1 ALA A 14 1.942 4.500 -14.944 1.00 23.42 H new ATOM 0 HB2 ALA A 14 3.702 4.294 -14.774 1.00 23.42 H new ATOM 0 HB3 ALA A 14 2.672 4.387 -13.325 1.00 23.42 H new ATOM 192 N LEU A 15 1.741 7.285 -12.502 1.00 22.23 N ATOM 193 CA LEU A 15 0.596 7.934 -11.872 1.00 64.12 C ATOM 194 C LEU A 15 0.421 9.356 -12.396 1.00 31.24 C ATOM 195 O LEU A 15 -0.638 9.711 -12.914 1.00 21.31 O ATOM 196 CB LEU A 15 0.769 7.955 -10.352 1.00 44.44 C ATOM 197 CG LEU A 15 0.465 6.646 -9.624 1.00 14.24 C ATOM 198 CD1 LEU A 15 0.660 6.812 -8.125 1.00 34.05 C ATOM 199 CD2 LEU A 15 -0.952 6.182 -9.931 1.00 64.10 C ATOM 0 H LEU A 15 2.533 7.129 -11.878 1.00 22.23 H new ATOM 0 HA LEU A 15 -0.298 7.362 -12.121 1.00 64.12 H new ATOM 0 HB2 LEU A 15 1.796 8.242 -10.127 1.00 44.44 H new ATOM 0 HB3 LEU A 15 0.124 8.733 -9.944 1.00 44.44 H new ATOM 0 HG LEU A 15 1.160 5.885 -9.978 1.00 14.24 H new ATOM 0 HD11 LEU A 15 0.439 5.870 -7.623 1.00 34.05 H new ATOM 0 HD12 LEU A 15 1.692 7.098 -7.922 1.00 34.05 H new ATOM 0 HD13 LEU A 15 -0.011 7.587 -7.754 1.00 34.05 H new ATOM 0 HD21 LEU A 15 -1.151 5.249 -9.404 1.00 64.10 H new ATOM 0 HD22 LEU A 15 -1.662 6.942 -9.605 1.00 64.10 H new ATOM 0 HD23 LEU A 15 -1.058 6.023 -11.004 1.00 64.10 H new ATOM 211 N ARG A 16 1.466 10.165 -12.258 1.00 64.33 N ATOM 212 CA ARG A 16 1.428 11.548 -12.718 1.00 61.42 C ATOM 213 C ARG A 16 1.338 11.612 -14.240 1.00 40.11 C ATOM 214 O ARG A 16 0.874 12.604 -14.803 1.00 21.11 O ATOM 215 CB ARG A 16 2.669 12.302 -12.238 1.00 23.23 C ATOM 216 CG ARG A 16 3.003 12.057 -10.775 1.00 73.32 C ATOM 217 CD ARG A 16 3.885 13.160 -10.213 1.00 22.04 C ATOM 218 NE ARG A 16 5.184 12.653 -9.776 1.00 53.34 N ATOM 219 CZ ARG A 16 6.182 12.377 -10.608 1.00 73.42 C ATOM 220 NH1 ARG A 16 6.031 12.557 -11.913 1.00 51.01 N ATOM 221 NH2 ARG A 16 7.334 11.919 -10.135 1.00 72.21 N ATOM 0 H ARG A 16 2.350 9.887 -11.831 1.00 64.33 H new ATOM 0 HA ARG A 16 0.540 12.020 -12.298 1.00 61.42 H new ATOM 0 HB2 ARG A 16 3.522 12.009 -12.851 1.00 23.23 H new ATOM 0 HB3 ARG A 16 2.517 13.370 -12.393 1.00 23.23 H new ATOM 0 HG2 ARG A 16 2.082 11.996 -10.196 1.00 73.32 H new ATOM 0 HG3 ARG A 16 3.509 11.097 -10.672 1.00 73.32 H new ATOM 0 HD2 ARG A 16 4.032 13.928 -10.972 1.00 22.04 H new ATOM 0 HD3 ARG A 16 3.380 13.635 -9.372 1.00 22.04 H new ATOM 0 HE ARG A 16 5.332 12.503 -8.778 1.00 53.34 H new ATOM 0 HH11 ARG A 16 5.147 12.908 -12.280 1.00 51.01 H new ATOM 0 HH12 ARG A 16 6.799 12.344 -12.549 1.00 51.01 H new ATOM 0 HH21 ARG A 16 7.454 11.779 -9.132 1.00 72.21 H new ATOM 0 HH22 ARG A 16 8.100 11.707 -10.775 1.00 72.21 H new ATOM 235 N ASP A 17 1.785 10.549 -14.899 1.00 51.04 N ATOM 236 CA ASP A 17 1.754 10.484 -16.356 1.00 5.20 C ATOM 237 C ASP A 17 0.334 10.672 -16.879 1.00 13.43 C ATOM 238 O ASP A 17 0.088 11.508 -17.750 1.00 32.14 O ATOM 239 CB ASP A 17 2.316 9.147 -16.840 1.00 63.51 C ATOM 240 CG ASP A 17 1.846 8.793 -18.237 1.00 63.14 C ATOM 241 OD1 ASP A 17 2.038 9.618 -19.155 1.00 0.30 O ATOM 242 OD2 ASP A 17 1.287 7.690 -18.414 1.00 4.34 O ATOM 0 H ASP A 17 2.173 9.721 -14.448 1.00 51.04 H new ATOM 0 HA ASP A 17 2.374 11.292 -16.744 1.00 5.20 H new ATOM 0 HB2 ASP A 17 3.405 9.188 -16.826 1.00 63.51 H new ATOM 0 HB3 ASP A 17 2.017 8.359 -16.149 1.00 63.51 H new ATOM 247 N CYS A 18 -0.597 9.891 -16.343 1.00 23.53 N ATOM 248 CA CYS A 18 -1.993 9.970 -16.756 1.00 71.45 C ATOM 249 C CYS A 18 -2.918 10.006 -15.544 1.00 72.33 C ATOM 250 O CYS A 18 -3.951 9.337 -15.520 1.00 60.04 O ATOM 251 CB CYS A 18 -2.350 8.781 -17.650 1.00 40.13 C ATOM 252 SG CYS A 18 -1.806 8.958 -19.366 1.00 12.13 S ATOM 0 H CYS A 18 -0.410 9.195 -15.621 1.00 23.53 H new ATOM 0 HA CYS A 18 -2.127 10.893 -17.320 1.00 71.45 H new ATOM 0 HB2 CYS A 18 -1.906 7.878 -17.230 1.00 40.13 H new ATOM 0 HB3 CYS A 18 -3.431 8.641 -17.635 1.00 40.13 H new ATOM 0 HG CYS A 18 -2.799 8.703 -20.165 1.00 12.13 H new ATOM 258 N GLN A 19 -2.539 10.789 -14.540 1.00 42.41 N ATOM 259 CA GLN A 19 -3.334 10.910 -13.324 1.00 3.13 C ATOM 260 C GLN A 19 -4.745 11.395 -13.641 1.00 65.42 C ATOM 261 O GLN A 19 -5.716 10.952 -13.028 1.00 43.24 O ATOM 262 CB GLN A 19 -2.660 11.871 -12.343 1.00 13.35 C ATOM 263 CG GLN A 19 -2.133 13.138 -12.997 1.00 13.12 C ATOM 264 CD GLN A 19 -1.818 14.227 -11.990 1.00 62.03 C ATOM 265 OE1 GLN A 19 -2.355 15.332 -12.065 1.00 53.32 O ATOM 266 NE2 GLN A 19 -0.942 13.920 -11.040 1.00 72.24 N ATOM 0 H GLN A 19 -1.687 11.349 -14.544 1.00 42.41 H new ATOM 0 HA GLN A 19 -3.404 9.923 -12.866 1.00 3.13 H new ATOM 0 HB2 GLN A 19 -3.374 12.143 -11.566 1.00 13.35 H new ATOM 0 HB3 GLN A 19 -1.835 11.356 -11.851 1.00 13.35 H new ATOM 0 HG2 GLN A 19 -1.233 12.902 -13.565 1.00 13.12 H new ATOM 0 HG3 GLN A 19 -2.871 13.509 -13.709 1.00 13.12 H new ATOM 0 HE21 GLN A 19 -0.521 12.991 -11.015 1.00 72.24 H new ATOM 0 HE22 GLN A 19 -0.690 14.613 -10.335 1.00 72.24 H new ATOM 275 N ALA A 20 -4.849 12.306 -14.602 1.00 55.34 N ATOM 276 CA ALA A 20 -6.142 12.850 -15.002 1.00 64.42 C ATOM 277 C ALA A 20 -7.130 11.734 -15.324 1.00 14.12 C ATOM 278 O ALA A 20 -6.755 10.645 -15.759 1.00 41.42 O ATOM 279 CB ALA A 20 -5.978 13.774 -16.200 1.00 22.13 C ATOM 0 H ALA A 20 -4.054 12.683 -15.118 1.00 55.34 H new ATOM 0 HA ALA A 20 -6.542 13.424 -14.166 1.00 64.42 H new ATOM 0 HB1 ALA A 20 -6.951 14.173 -16.488 1.00 22.13 H new ATOM 0 HB2 ALA A 20 -5.312 14.596 -15.937 1.00 22.13 H new ATOM 0 HB3 ALA A 20 -5.553 13.216 -17.034 1.00 22.13 H new ATOM 285 N PRO A 21 -8.425 12.008 -15.105 1.00 1.44 N ATOM 286 CA PRO A 21 -9.494 11.040 -15.364 1.00 72.14 C ATOM 287 C PRO A 21 -9.699 10.788 -16.854 1.00 42.03 C ATOM 288 O PRO A 21 -9.524 11.688 -17.675 1.00 42.45 O ATOM 289 CB PRO A 21 -10.732 11.708 -14.760 1.00 60.40 C ATOM 290 CG PRO A 21 -10.429 13.166 -14.792 1.00 33.13 C ATOM 291 CD PRO A 21 -8.944 13.285 -14.587 1.00 14.23 C ATOM 0 HA PRO A 21 -9.270 10.062 -14.938 1.00 72.14 H new ATOM 0 HB2 PRO A 21 -11.628 11.477 -15.337 1.00 60.40 H new ATOM 0 HB3 PRO A 21 -10.911 11.363 -13.742 1.00 60.40 H new ATOM 0 HG2 PRO A 21 -10.728 13.606 -15.743 1.00 33.13 H new ATOM 0 HG3 PRO A 21 -10.974 13.695 -14.011 1.00 33.13 H new ATOM 0 HD2 PRO A 21 -8.531 14.136 -15.128 1.00 14.23 H new ATOM 0 HD3 PRO A 21 -8.693 13.424 -13.535 1.00 14.23 H new ATOM 299 N ASP A 22 -10.070 9.559 -17.196 1.00 55.42 N ATOM 300 CA ASP A 22 -10.301 9.190 -18.588 1.00 24.41 C ATOM 301 C ASP A 22 -9.028 9.356 -19.412 1.00 43.41 C ATOM 302 O ASP A 22 -9.075 9.410 -20.641 1.00 3.30 O ATOM 303 CB ASP A 22 -11.424 10.039 -19.184 1.00 72.44 C ATOM 304 CG ASP A 22 -11.926 9.489 -20.505 1.00 52.33 C ATOM 305 OD1 ASP A 22 -12.487 8.373 -20.509 1.00 44.05 O ATOM 306 OD2 ASP A 22 -11.759 10.176 -21.535 1.00 34.13 O ATOM 0 H ASP A 22 -10.217 8.802 -16.529 1.00 55.42 H new ATOM 0 HA ASP A 22 -10.596 8.141 -18.616 1.00 24.41 H new ATOM 0 HB2 ASP A 22 -12.252 10.090 -18.477 1.00 72.44 H new ATOM 0 HB3 ASP A 22 -11.067 11.058 -19.330 1.00 72.44 H new ATOM 311 N SER A 23 -7.892 9.439 -18.727 1.00 23.30 N ATOM 312 CA SER A 23 -6.606 9.605 -19.395 1.00 73.43 C ATOM 313 C SER A 23 -5.745 8.355 -19.235 1.00 15.21 C ATOM 314 O SER A 23 -4.756 8.174 -19.944 1.00 62.15 O ATOM 315 CB SER A 23 -5.869 10.822 -18.833 1.00 63.54 C ATOM 316 OG SER A 23 -5.712 11.824 -19.822 1.00 53.42 O ATOM 0 H SER A 23 -7.836 9.394 -17.710 1.00 23.30 H new ATOM 0 HA SER A 23 -6.794 9.762 -20.457 1.00 73.43 H new ATOM 0 HB2 SER A 23 -6.422 11.227 -17.985 1.00 63.54 H new ATOM 0 HB3 SER A 23 -4.891 10.518 -18.460 1.00 63.54 H new ATOM 0 HG SER A 23 -5.240 12.592 -19.438 1.00 53.42 H new ATOM 322 N PHE A 24 -6.130 7.496 -18.297 1.00 21.01 N ATOM 323 CA PHE A 24 -5.394 6.263 -18.041 1.00 43.42 C ATOM 324 C PHE A 24 -5.971 5.107 -18.852 1.00 33.21 C ATOM 325 O PHE A 24 -7.066 5.209 -19.406 1.00 65.23 O ATOM 326 CB PHE A 24 -5.429 5.923 -16.550 1.00 1.32 C ATOM 327 CG PHE A 24 -4.200 5.206 -16.069 1.00 42.13 C ATOM 328 CD1 PHE A 24 -3.043 5.909 -15.772 1.00 13.02 C ATOM 329 CD2 PHE A 24 -4.201 3.829 -15.915 1.00 1.34 C ATOM 330 CE1 PHE A 24 -1.911 5.251 -15.330 1.00 42.33 C ATOM 331 CE2 PHE A 24 -3.071 3.166 -15.473 1.00 54.10 C ATOM 332 CZ PHE A 24 -1.925 3.878 -15.180 1.00 12.45 C ATOM 0 H PHE A 24 -6.947 7.631 -17.702 1.00 21.01 H new ATOM 0 HA PHE A 24 -4.359 6.417 -18.347 1.00 43.42 H new ATOM 0 HB2 PHE A 24 -5.550 6.843 -15.979 1.00 1.32 H new ATOM 0 HB3 PHE A 24 -6.303 5.305 -16.347 1.00 1.32 H new ATOM 0 HD1 PHE A 24 -3.026 6.983 -15.887 1.00 13.02 H new ATOM 0 HD2 PHE A 24 -5.095 3.267 -16.143 1.00 1.34 H new ATOM 0 HE1 PHE A 24 -1.016 5.810 -15.102 1.00 42.33 H new ATOM 0 HE2 PHE A 24 -3.085 2.092 -15.357 1.00 54.10 H new ATOM 0 HZ PHE A 24 -1.041 3.362 -14.834 1.00 12.45 H new ATOM 342 N SER A 25 -5.227 4.007 -18.916 1.00 40.43 N ATOM 343 CA SER A 25 -5.662 2.832 -19.662 1.00 40.54 C ATOM 344 C SER A 25 -5.021 1.566 -19.103 1.00 70.12 C ATOM 345 O SER A 25 -3.968 1.602 -18.466 1.00 32.50 O ATOM 346 CB SER A 25 -5.311 2.984 -21.144 1.00 1.13 C ATOM 347 OG SER A 25 -6.480 3.101 -21.936 1.00 33.54 O ATOM 0 H SER A 25 -4.320 3.905 -18.460 1.00 40.43 H new ATOM 0 HA SER A 25 -6.744 2.746 -19.559 1.00 40.54 H new ATOM 0 HB2 SER A 25 -4.684 3.864 -21.284 1.00 1.13 H new ATOM 0 HB3 SER A 25 -4.730 2.123 -21.473 1.00 1.13 H new ATOM 0 HG SER A 25 -6.228 3.199 -22.878 1.00 33.54 H new ATOM 353 N PRO A 26 -5.671 0.418 -19.347 1.00 23.03 N ATOM 354 CA PRO A 26 -5.183 -0.882 -18.877 1.00 73.42 C ATOM 355 C PRO A 26 -3.922 -1.327 -19.609 1.00 63.21 C ATOM 356 O PRO A 26 -3.213 -2.226 -19.156 1.00 62.22 O ATOM 357 CB PRO A 26 -6.344 -1.830 -19.189 1.00 14.11 C ATOM 358 CG PRO A 26 -7.072 -1.180 -20.315 1.00 64.43 C ATOM 359 CD PRO A 26 -6.931 0.301 -20.100 1.00 1.15 C ATOM 0 HA PRO A 26 -4.906 -0.856 -17.823 1.00 73.42 H new ATOM 0 HB2 PRO A 26 -5.983 -2.819 -19.470 1.00 14.11 H new ATOM 0 HB3 PRO A 26 -6.992 -1.961 -18.322 1.00 14.11 H new ATOM 0 HG2 PRO A 26 -6.650 -1.477 -21.275 1.00 64.43 H new ATOM 0 HG3 PRO A 26 -8.121 -1.475 -20.323 1.00 64.43 H new ATOM 0 HD2 PRO A 26 -6.886 0.842 -21.045 1.00 1.15 H new ATOM 0 HD3 PRO A 26 -7.773 0.708 -19.540 1.00 1.15 H new ATOM 367 N LYS A 27 -3.646 -0.692 -20.743 1.00 40.10 N ATOM 368 CA LYS A 27 -2.468 -1.020 -21.538 1.00 35.32 C ATOM 369 C LYS A 27 -1.529 0.177 -21.640 1.00 15.44 C ATOM 370 O LYS A 27 -0.826 0.345 -22.636 1.00 51.31 O ATOM 371 CB LYS A 27 -2.884 -1.477 -22.938 1.00 50.52 C ATOM 372 CG LYS A 27 -3.361 -0.344 -23.830 1.00 55.33 C ATOM 373 CD LYS A 27 -4.643 -0.710 -24.559 1.00 35.10 C ATOM 374 CE LYS A 27 -5.838 -0.716 -23.617 1.00 42.11 C ATOM 375 NZ LYS A 27 -7.122 -0.536 -24.349 1.00 11.42 N ATOM 0 H LYS A 27 -4.223 0.054 -21.133 1.00 40.10 H new ATOM 0 HA LYS A 27 -1.939 -1.832 -21.039 1.00 35.32 H new ATOM 0 HB2 LYS A 27 -2.039 -1.973 -23.415 1.00 50.52 H new ATOM 0 HB3 LYS A 27 -3.679 -2.217 -22.848 1.00 50.52 H new ATOM 0 HG2 LYS A 27 -3.526 0.549 -23.228 1.00 55.33 H new ATOM 0 HG3 LYS A 27 -2.585 -0.100 -24.556 1.00 55.33 H new ATOM 0 HD2 LYS A 27 -4.819 0.000 -25.367 1.00 35.10 H new ATOM 0 HD3 LYS A 27 -4.534 -1.693 -25.017 1.00 35.10 H new ATOM 0 HE2 LYS A 27 -5.862 -1.657 -23.067 1.00 42.11 H new ATOM 0 HE3 LYS A 27 -5.725 0.080 -22.881 1.00 42.11 H new ATOM 0 HZ1 LYS A 27 -7.912 -0.546 -23.672 1.00 11.42 H new ATOM 0 HZ2 LYS A 27 -7.109 0.373 -24.853 1.00 11.42 H new ATOM 0 HZ3 LYS A 27 -7.243 -1.310 -25.033 1.00 11.42 H new ATOM 389 N LYS A 28 -1.522 1.007 -20.602 1.00 41.40 N ATOM 390 CA LYS A 28 -0.667 2.188 -20.573 1.00 13.44 C ATOM 391 C LYS A 28 0.022 2.328 -19.219 1.00 60.41 C ATOM 392 O LYS A 28 0.521 3.398 -18.873 1.00 5.42 O ATOM 393 CB LYS A 28 -1.489 3.445 -20.870 1.00 64.02 C ATOM 394 CG LYS A 28 -1.932 3.553 -22.319 1.00 3.10 C ATOM 395 CD LYS A 28 -0.778 3.943 -23.227 1.00 42.43 C ATOM 396 CE LYS A 28 -1.264 4.300 -24.624 1.00 23.22 C ATOM 397 NZ LYS A 28 -1.994 3.170 -25.262 1.00 72.11 N ATOM 0 H LYS A 28 -2.099 0.884 -19.770 1.00 41.40 H new ATOM 0 HA LYS A 28 0.098 2.071 -21.340 1.00 13.44 H new ATOM 0 HB2 LYS A 28 -2.370 3.453 -20.228 1.00 64.02 H new ATOM 0 HB3 LYS A 28 -0.899 4.324 -20.613 1.00 64.02 H new ATOM 0 HG2 LYS A 28 -2.347 2.599 -22.646 1.00 3.10 H new ATOM 0 HG3 LYS A 28 -2.728 4.293 -22.403 1.00 3.10 H new ATOM 0 HD2 LYS A 28 -0.247 4.792 -22.797 1.00 42.43 H new ATOM 0 HD3 LYS A 28 -0.067 3.119 -23.287 1.00 42.43 H new ATOM 0 HE2 LYS A 28 -1.918 5.170 -24.570 1.00 23.22 H new ATOM 0 HE3 LYS A 28 -0.413 4.579 -25.245 1.00 23.22 H new ATOM 0 HZ1 LYS A 28 -2.205 3.408 -26.252 1.00 72.11 H new ATOM 0 HZ2 LYS A 28 -1.405 2.314 -25.230 1.00 72.11 H new ATOM 0 HZ3 LYS A 28 -2.883 2.998 -24.750 1.00 72.11 H new ATOM 411 N PHE A 29 0.047 1.239 -18.458 1.00 71.50 N ATOM 412 CA PHE A 29 0.676 1.239 -17.142 1.00 52.44 C ATOM 413 C PHE A 29 1.854 0.270 -17.102 1.00 14.11 C ATOM 414 O PHE A 29 2.753 0.402 -16.271 1.00 54.11 O ATOM 415 CB PHE A 29 -0.345 0.865 -16.066 1.00 23.24 C ATOM 416 CG PHE A 29 0.221 0.876 -14.674 1.00 72.41 C ATOM 417 CD1 PHE A 29 1.101 1.869 -14.278 1.00 3.14 C ATOM 418 CD2 PHE A 29 -0.128 -0.108 -13.763 1.00 21.22 C ATOM 419 CE1 PHE A 29 1.623 1.882 -12.998 1.00 3.22 C ATOM 420 CE2 PHE A 29 0.390 -0.100 -12.482 1.00 24.03 C ATOM 421 CZ PHE A 29 1.268 0.896 -12.099 1.00 70.40 C ATOM 0 H PHE A 29 -0.361 0.345 -18.730 1.00 71.50 H new ATOM 0 HA PHE A 29 1.049 2.244 -16.945 1.00 52.44 H new ATOM 0 HB2 PHE A 29 -1.183 1.560 -16.114 1.00 23.24 H new ATOM 0 HB3 PHE A 29 -0.741 -0.128 -16.281 1.00 23.24 H new ATOM 0 HD1 PHE A 29 1.383 2.642 -14.977 1.00 3.14 H new ATOM 0 HD2 PHE A 29 -0.812 -0.890 -14.057 1.00 21.22 H new ATOM 0 HE1 PHE A 29 2.308 2.663 -12.701 1.00 3.22 H new ATOM 0 HE2 PHE A 29 0.109 -0.872 -11.781 1.00 24.03 H new ATOM 0 HZ PHE A 29 1.676 0.903 -11.099 1.00 70.40 H new ATOM 431 N PHE A 30 1.841 -0.705 -18.005 1.00 43.52 N ATOM 432 CA PHE A 30 2.907 -1.698 -18.073 1.00 11.23 C ATOM 433 C PHE A 30 4.141 -1.125 -18.763 1.00 63.11 C ATOM 434 O PHE A 30 5.230 -1.694 -18.682 1.00 55.22 O ATOM 435 CB PHE A 30 2.425 -2.944 -18.817 1.00 75.43 C ATOM 436 CG PHE A 30 2.366 -2.767 -20.308 1.00 32.44 C ATOM 437 CD1 PHE A 30 1.237 -2.237 -20.912 1.00 2.25 C ATOM 438 CD2 PHE A 30 3.439 -3.131 -21.105 1.00 3.14 C ATOM 439 CE1 PHE A 30 1.180 -2.074 -22.283 1.00 4.42 C ATOM 440 CE2 PHE A 30 3.388 -2.970 -22.476 1.00 44.45 C ATOM 441 CZ PHE A 30 2.258 -2.439 -23.066 1.00 73.21 C ATOM 0 H PHE A 30 1.104 -0.829 -18.700 1.00 43.52 H new ATOM 0 HA PHE A 30 3.178 -1.974 -17.054 1.00 11.23 H new ATOM 0 HB2 PHE A 30 3.089 -3.776 -18.584 1.00 75.43 H new ATOM 0 HB3 PHE A 30 1.434 -3.215 -18.452 1.00 75.43 H new ATOM 0 HD1 PHE A 30 0.392 -1.948 -20.304 1.00 2.25 H new ATOM 0 HD2 PHE A 30 4.326 -3.546 -20.649 1.00 3.14 H new ATOM 0 HE1 PHE A 30 0.294 -1.662 -22.742 1.00 4.42 H new ATOM 0 HE2 PHE A 30 4.231 -3.259 -23.086 1.00 44.45 H new ATOM 0 HZ PHE A 30 2.217 -2.309 -24.137 1.00 73.21 H new ATOM 451 N GLN A 31 3.962 0.004 -19.442 1.00 21.51 N ATOM 452 CA GLN A 31 5.061 0.653 -20.148 1.00 34.45 C ATOM 453 C GLN A 31 5.853 1.556 -19.208 1.00 61.41 C ATOM 454 O GLN A 31 7.071 1.686 -19.338 1.00 13.13 O ATOM 455 CB GLN A 31 4.527 1.467 -21.327 1.00 54.01 C ATOM 456 CG GLN A 31 3.279 0.873 -21.961 1.00 42.23 C ATOM 457 CD GLN A 31 2.853 1.612 -23.214 1.00 43.35 C ATOM 458 OE1 GLN A 31 2.671 1.010 -24.273 1.00 20.22 O ATOM 459 NE2 GLN A 31 2.692 2.926 -23.102 1.00 32.55 N ATOM 0 H GLN A 31 3.067 0.488 -19.518 1.00 21.51 H new ATOM 0 HA GLN A 31 5.727 -0.123 -20.524 1.00 34.45 H new ATOM 0 HB2 GLN A 31 4.306 2.479 -20.988 1.00 54.01 H new ATOM 0 HB3 GLN A 31 5.306 1.548 -22.085 1.00 54.01 H new ATOM 0 HG2 GLN A 31 3.463 -0.173 -22.206 1.00 42.23 H new ATOM 0 HG3 GLN A 31 2.464 0.893 -21.237 1.00 42.23 H new ATOM 0 HE21 GLN A 31 2.853 3.385 -22.206 1.00 32.55 H new ATOM 0 HE22 GLN A 31 2.407 3.476 -23.912 1.00 32.55 H new ATOM 468 N ILE A 32 5.155 2.177 -18.264 1.00 32.34 N ATOM 469 CA ILE A 32 5.794 3.067 -17.302 1.00 71.34 C ATOM 470 C ILE A 32 6.182 2.317 -16.032 1.00 53.04 C ATOM 471 O ILE A 32 7.150 2.672 -15.361 1.00 44.11 O ATOM 472 CB ILE A 32 4.875 4.245 -16.929 1.00 42.22 C ATOM 473 CG1 ILE A 32 4.463 5.016 -18.185 1.00 11.33 C ATOM 474 CG2 ILE A 32 5.572 5.167 -15.940 1.00 10.14 C ATOM 475 CD1 ILE A 32 3.001 4.857 -18.539 1.00 30.30 C ATOM 0 H ILE A 32 4.147 2.081 -18.144 1.00 32.34 H new ATOM 0 HA ILE A 32 6.693 3.455 -17.780 1.00 71.34 H new ATOM 0 HB ILE A 32 3.976 3.850 -16.456 1.00 42.22 H new ATOM 0 HG12 ILE A 32 4.680 6.074 -18.040 1.00 11.33 H new ATOM 0 HG13 ILE A 32 5.071 4.678 -19.025 1.00 11.33 H new ATOM 0 HG21 ILE A 32 4.910 5.995 -15.686 1.00 10.14 H new ATOM 0 HG22 ILE A 32 5.820 4.610 -15.036 1.00 10.14 H new ATOM 0 HG23 ILE A 32 6.486 5.557 -16.388 1.00 10.14 H new ATOM 0 HD11 ILE A 32 2.780 5.430 -19.439 1.00 30.30 H new ATOM 0 HD12 ILE A 32 2.782 3.804 -18.717 1.00 30.30 H new ATOM 0 HD13 ILE A 32 2.386 5.222 -17.716 1.00 30.30 H new ATOM 487 N SER A 33 5.420 1.277 -15.710 1.00 34.13 N ATOM 488 CA SER A 33 5.682 0.477 -14.519 1.00 1.21 C ATOM 489 C SER A 33 6.541 -0.737 -14.858 1.00 71.24 C ATOM 490 O SER A 33 7.695 -0.832 -14.442 1.00 15.14 O ATOM 491 CB SER A 33 4.367 0.024 -13.883 1.00 75.00 C ATOM 492 OG SER A 33 4.492 -0.086 -12.476 1.00 34.32 O ATOM 0 H SER A 33 4.616 0.968 -16.257 1.00 34.13 H new ATOM 0 HA SER A 33 6.226 1.098 -13.807 1.00 1.21 H new ATOM 0 HB2 SER A 33 3.578 0.735 -14.127 1.00 75.00 H new ATOM 0 HB3 SER A 33 4.070 -0.938 -14.301 1.00 75.00 H new ATOM 0 HG SER A 33 3.613 0.033 -12.059 1.00 34.32 H new ATOM 498 N GLY A 34 5.968 -1.665 -15.619 1.00 63.32 N ATOM 499 CA GLY A 34 6.694 -2.862 -16.003 1.00 4.15 C ATOM 500 C GLY A 34 5.996 -4.131 -15.558 1.00 33.42 C ATOM 501 O GLY A 34 6.628 -5.039 -15.018 1.00 14.23 O ATOM 0 H GLY A 34 5.014 -1.609 -15.976 1.00 63.32 H new ATOM 0 HA2 GLY A 34 6.815 -2.878 -17.086 1.00 4.15 H new ATOM 0 HA3 GLY A 34 7.694 -2.831 -15.571 1.00 4.15 H new ATOM 505 N MET A 35 4.688 -4.195 -15.784 1.00 34.32 N ATOM 506 CA MET A 35 3.903 -5.363 -15.402 1.00 34.53 C ATOM 507 C MET A 35 4.180 -6.535 -16.339 1.00 12.23 C ATOM 508 O MET A 35 4.453 -7.649 -15.891 1.00 51.53 O ATOM 509 CB MET A 35 2.410 -5.028 -15.414 1.00 1.33 C ATOM 510 CG MET A 35 2.082 -3.695 -14.760 1.00 34.42 C ATOM 511 SD MET A 35 0.323 -3.305 -14.825 1.00 14.40 S ATOM 512 CE MET A 35 -0.371 -4.725 -13.984 1.00 33.45 C ATOM 0 H MET A 35 4.150 -3.452 -16.230 1.00 34.32 H new ATOM 0 HA MET A 35 4.195 -5.651 -14.392 1.00 34.53 H new ATOM 0 HB2 MET A 35 2.057 -5.014 -16.445 1.00 1.33 H new ATOM 0 HB3 MET A 35 1.864 -5.820 -14.901 1.00 1.33 H new ATOM 0 HG2 MET A 35 2.408 -3.715 -13.720 1.00 34.42 H new ATOM 0 HG3 MET A 35 2.644 -2.903 -15.255 1.00 34.42 H new ATOM 0 HE1 MET A 35 -1.373 -4.484 -13.629 1.00 33.45 H new ATOM 0 HE2 MET A 35 -0.423 -5.567 -14.674 1.00 33.45 H new ATOM 0 HE3 MET A 35 0.260 -4.990 -13.136 1.00 33.45 H new ATOM 522 N SER A 36 4.107 -6.276 -17.640 1.00 42.34 N ATOM 523 CA SER A 36 4.346 -7.310 -18.640 1.00 43.12 C ATOM 524 C SER A 36 5.687 -7.997 -18.401 1.00 22.32 C ATOM 525 O SER A 36 5.832 -9.199 -18.627 1.00 51.23 O ATOM 526 CB SER A 36 4.313 -6.707 -20.046 1.00 61.40 C ATOM 527 OG SER A 36 5.413 -5.839 -20.255 1.00 0.43 O ATOM 0 H SER A 36 3.884 -5.359 -18.027 1.00 42.34 H new ATOM 0 HA SER A 36 3.555 -8.055 -18.553 1.00 43.12 H new ATOM 0 HB2 SER A 36 4.330 -7.505 -20.788 1.00 61.40 H new ATOM 0 HB3 SER A 36 3.381 -6.159 -20.188 1.00 61.40 H new ATOM 0 HG SER A 36 5.369 -5.468 -21.161 1.00 0.43 H new ATOM 533 N LYS A 37 6.666 -7.226 -17.941 1.00 4.11 N ATOM 534 CA LYS A 37 7.996 -7.758 -17.669 1.00 4.14 C ATOM 535 C LYS A 37 7.944 -8.821 -16.576 1.00 10.33 C ATOM 536 O LYS A 37 8.860 -9.632 -16.439 1.00 42.33 O ATOM 537 CB LYS A 37 8.944 -6.630 -17.253 1.00 70.31 C ATOM 538 CG LYS A 37 8.841 -5.395 -18.130 1.00 54.34 C ATOM 539 CD LYS A 37 8.974 -5.744 -19.603 1.00 42.22 C ATOM 540 CE LYS A 37 10.304 -6.421 -19.897 1.00 71.40 C ATOM 541 NZ LYS A 37 11.025 -5.763 -21.021 1.00 62.34 N ATOM 0 H LYS A 37 6.563 -6.230 -17.749 1.00 4.11 H new ATOM 0 HA LYS A 37 8.369 -8.220 -18.583 1.00 4.14 H new ATOM 0 HB2 LYS A 37 8.732 -6.351 -16.221 1.00 70.31 H new ATOM 0 HB3 LYS A 37 9.969 -7.000 -17.280 1.00 70.31 H new ATOM 0 HG2 LYS A 37 7.884 -4.903 -17.957 1.00 54.34 H new ATOM 0 HG3 LYS A 37 9.619 -4.684 -17.852 1.00 54.34 H new ATOM 0 HD2 LYS A 37 8.157 -6.402 -19.897 1.00 42.22 H new ATOM 0 HD3 LYS A 37 8.885 -4.838 -20.202 1.00 42.22 H new ATOM 0 HE2 LYS A 37 10.928 -6.399 -19.003 1.00 71.40 H new ATOM 0 HE3 LYS A 37 10.132 -7.469 -20.140 1.00 71.40 H new ATOM 0 HZ1 LYS A 37 11.926 -6.254 -21.190 1.00 62.34 H new ATOM 0 HZ2 LYS A 37 10.441 -5.806 -21.880 1.00 62.34 H new ATOM 0 HZ3 LYS A 37 11.212 -4.769 -20.779 1.00 62.34 H new ATOM 555 N LYS A 38 6.865 -8.812 -15.800 1.00 24.22 N ATOM 556 CA LYS A 38 6.691 -9.777 -14.720 1.00 42.13 C ATOM 557 C LYS A 38 5.950 -11.016 -15.212 1.00 63.04 C ATOM 558 O LYS A 38 5.135 -10.939 -16.131 1.00 70.34 O ATOM 559 CB LYS A 38 5.926 -9.140 -13.558 1.00 40.01 C ATOM 560 CG LYS A 38 6.434 -7.759 -13.179 1.00 73.54 C ATOM 561 CD LYS A 38 7.817 -7.826 -12.553 1.00 74.33 C ATOM 562 CE LYS A 38 8.815 -6.967 -13.314 1.00 31.01 C ATOM 563 NZ LYS A 38 10.211 -7.459 -13.147 1.00 75.12 N ATOM 0 H LYS A 38 6.098 -8.147 -15.899 1.00 24.22 H new ATOM 0 HA LYS A 38 7.679 -10.080 -14.374 1.00 42.13 H new ATOM 0 HB2 LYS A 38 4.871 -9.070 -13.824 1.00 40.01 H new ATOM 0 HB3 LYS A 38 5.993 -9.794 -12.688 1.00 40.01 H new ATOM 0 HG2 LYS A 38 6.465 -7.126 -14.066 1.00 73.54 H new ATOM 0 HG3 LYS A 38 5.739 -7.294 -12.480 1.00 73.54 H new ATOM 0 HD2 LYS A 38 7.765 -7.493 -11.516 1.00 74.33 H new ATOM 0 HD3 LYS A 38 8.162 -8.860 -12.539 1.00 74.33 H new ATOM 0 HE2 LYS A 38 8.556 -6.961 -14.373 1.00 31.01 H new ATOM 0 HE3 LYS A 38 8.749 -5.937 -12.964 1.00 31.01 H new ATOM 0 HZ1 LYS A 38 10.861 -6.847 -13.681 1.00 75.12 H new ATOM 0 HZ2 LYS A 38 10.467 -7.441 -12.139 1.00 75.12 H new ATOM 0 HZ3 LYS A 38 10.281 -8.433 -13.504 1.00 75.12 H new ATOM 577 N SER A 39 6.238 -12.157 -14.594 1.00 2.32 N ATOM 578 CA SER A 39 5.601 -13.413 -14.971 1.00 15.23 C ATOM 579 C SER A 39 4.155 -13.455 -14.486 1.00 14.02 C ATOM 580 O SER A 39 3.767 -12.706 -13.590 1.00 13.44 O ATOM 581 CB SER A 39 6.378 -14.597 -14.394 1.00 65.31 C ATOM 582 OG SER A 39 7.724 -14.588 -14.837 1.00 44.24 O ATOM 0 H SER A 39 6.909 -12.237 -13.830 1.00 2.32 H new ATOM 0 HA SER A 39 5.604 -13.481 -16.059 1.00 15.23 H new ATOM 0 HB2 SER A 39 6.350 -14.558 -13.305 1.00 65.31 H new ATOM 0 HB3 SER A 39 5.900 -15.530 -14.692 1.00 65.31 H new ATOM 0 HG SER A 39 8.200 -15.354 -14.453 1.00 44.24 H new ATOM 588 N SER A 40 3.362 -14.337 -15.085 1.00 75.23 N ATOM 589 CA SER A 40 1.957 -14.476 -14.718 1.00 40.34 C ATOM 590 C SER A 40 1.808 -14.716 -13.219 1.00 44.11 C ATOM 591 O SER A 40 0.775 -14.402 -12.628 1.00 71.45 O ATOM 592 CB SER A 40 1.316 -15.626 -15.497 1.00 33.12 C ATOM 593 OG SER A 40 2.276 -16.305 -16.287 1.00 23.11 O ATOM 0 H SER A 40 3.668 -14.967 -15.827 1.00 75.23 H new ATOM 0 HA SER A 40 1.447 -13.547 -14.971 1.00 40.34 H new ATOM 0 HB2 SER A 40 0.852 -16.326 -14.802 1.00 33.12 H new ATOM 0 HB3 SER A 40 0.523 -15.239 -16.136 1.00 33.12 H new ATOM 0 HG SER A 40 1.841 -17.036 -16.773 1.00 23.11 H new ATOM 599 N SER A 41 2.849 -15.275 -12.610 1.00 2.33 N ATOM 600 CA SER A 41 2.834 -15.561 -11.180 1.00 24.20 C ATOM 601 C SER A 41 3.003 -14.281 -10.368 1.00 13.15 C ATOM 602 O SER A 41 2.398 -14.123 -9.307 1.00 45.12 O ATOM 603 CB SER A 41 3.944 -16.553 -10.826 1.00 20.13 C ATOM 604 OG SER A 41 3.785 -17.771 -11.533 1.00 52.52 O ATOM 0 H SER A 41 3.713 -15.539 -13.084 1.00 2.33 H new ATOM 0 HA SER A 41 1.869 -16.002 -10.933 1.00 24.20 H new ATOM 0 HB2 SER A 41 4.915 -16.116 -11.061 1.00 20.13 H new ATOM 0 HB3 SER A 41 3.934 -16.748 -9.754 1.00 20.13 H new ATOM 0 HG SER A 41 4.508 -18.387 -11.290 1.00 52.52 H new ATOM 610 N GLN A 42 3.828 -13.370 -10.874 1.00 22.51 N ATOM 611 CA GLN A 42 4.077 -12.104 -10.195 1.00 60.22 C ATOM 612 C GLN A 42 2.882 -11.167 -10.336 1.00 32.34 C ATOM 613 O GLN A 42 2.585 -10.383 -9.433 1.00 71.13 O ATOM 614 CB GLN A 42 5.332 -11.437 -10.760 1.00 3.22 C ATOM 615 CG GLN A 42 6.617 -11.882 -10.079 1.00 55.10 C ATOM 616 CD GLN A 42 7.787 -10.969 -10.387 1.00 61.33 C ATOM 617 OE1 GLN A 42 7.832 -9.819 -9.725 1.00 53.23 O flip ATOM 618 NE2 GLN A 42 8.642 -11.294 -11.212 1.00 22.54 N flip ATOM 0 H GLN A 42 4.335 -13.485 -11.752 1.00 22.51 H new ATOM 0 HA GLN A 42 4.230 -12.312 -9.136 1.00 60.22 H new ATOM 0 HB2 GLN A 42 5.401 -11.655 -11.826 1.00 3.22 H new ATOM 0 HB3 GLN A 42 5.234 -10.356 -10.662 1.00 3.22 H new ATOM 0 HG2 GLN A 42 6.460 -11.914 -9.001 1.00 55.10 H new ATOM 0 HG3 GLN A 42 6.859 -12.896 -10.396 1.00 55.10 H new ATOM 0 HE21 GLN A 42 8.568 -12.188 -11.698 1.00 22.54 H new ATOM 0 HE22 GLN A 42 9.424 -10.669 -11.409 1.00 22.54 H new ATOM 627 N LEU A 43 2.199 -11.253 -11.472 1.00 64.30 N ATOM 628 CA LEU A 43 1.036 -10.413 -11.731 1.00 54.32 C ATOM 629 C LEU A 43 -0.181 -10.913 -10.959 1.00 24.33 C ATOM 630 O LEU A 43 -1.182 -10.209 -10.831 1.00 52.34 O ATOM 631 CB LEU A 43 0.726 -10.384 -13.229 1.00 2.30 C ATOM 632 CG LEU A 43 1.906 -10.078 -14.152 1.00 50.43 C ATOM 633 CD1 LEU A 43 1.778 -10.850 -15.456 1.00 53.42 C ATOM 634 CD2 LEU A 43 1.998 -8.583 -14.422 1.00 41.22 C ATOM 0 H LEU A 43 2.431 -11.896 -12.229 1.00 64.30 H new ATOM 0 HA LEU A 43 1.267 -9.403 -11.394 1.00 54.32 H new ATOM 0 HB2 LEU A 43 0.310 -11.351 -13.512 1.00 2.30 H new ATOM 0 HB3 LEU A 43 -0.050 -9.639 -13.405 1.00 2.30 H new ATOM 0 HG LEU A 43 2.823 -10.394 -13.655 1.00 50.43 H new ATOM 0 HD11 LEU A 43 2.627 -10.620 -16.100 1.00 53.42 H new ATOM 0 HD12 LEU A 43 1.762 -11.919 -15.246 1.00 53.42 H new ATOM 0 HD13 LEU A 43 0.853 -10.565 -15.958 1.00 53.42 H new ATOM 0 HD21 LEU A 43 2.843 -8.384 -15.081 1.00 41.22 H new ATOM 0 HD22 LEU A 43 1.079 -8.242 -14.898 1.00 41.22 H new ATOM 0 HD23 LEU A 43 2.138 -8.051 -13.481 1.00 41.22 H new ATOM 646 N LYS A 44 -0.086 -12.134 -10.442 1.00 42.14 N ATOM 647 CA LYS A 44 -1.176 -12.729 -9.679 1.00 30.03 C ATOM 648 C LYS A 44 -1.333 -12.039 -8.327 1.00 74.43 C ATOM 649 O LYS A 44 -2.449 -11.763 -7.888 1.00 72.12 O ATOM 650 CB LYS A 44 -0.926 -14.225 -9.474 1.00 5.22 C ATOM 651 CG LYS A 44 -1.567 -15.100 -10.537 1.00 23.13 C ATOM 652 CD LYS A 44 -2.189 -16.347 -9.931 1.00 71.02 C ATOM 653 CE LYS A 44 -1.157 -17.181 -9.188 1.00 5.30 C ATOM 654 NZ LYS A 44 -1.133 -18.590 -9.667 1.00 61.51 N ATOM 0 H LYS A 44 0.736 -12.731 -10.538 1.00 42.14 H new ATOM 0 HA LYS A 44 -2.098 -12.596 -10.245 1.00 30.03 H new ATOM 0 HB2 LYS A 44 0.149 -14.407 -9.465 1.00 5.22 H new ATOM 0 HB3 LYS A 44 -1.307 -14.518 -8.496 1.00 5.22 H new ATOM 0 HG2 LYS A 44 -2.332 -14.531 -11.066 1.00 23.13 H new ATOM 0 HG3 LYS A 44 -0.817 -15.388 -11.274 1.00 23.13 H new ATOM 0 HD2 LYS A 44 -2.988 -16.061 -9.247 1.00 71.02 H new ATOM 0 HD3 LYS A 44 -2.644 -16.947 -10.719 1.00 71.02 H new ATOM 0 HE2 LYS A 44 -0.170 -16.737 -9.317 1.00 5.30 H new ATOM 0 HE3 LYS A 44 -1.377 -17.164 -8.121 1.00 5.30 H new ATOM 0 HZ1 LYS A 44 -0.417 -19.125 -9.136 1.00 61.51 H new ATOM 0 HZ2 LYS A 44 -2.067 -19.022 -9.521 1.00 61.51 H new ATOM 0 HZ3 LYS A 44 -0.898 -18.608 -10.680 1.00 61.51 H new ATOM 668 N GLU A 45 -0.209 -11.763 -7.674 1.00 61.32 N ATOM 669 CA GLU A 45 -0.224 -11.105 -6.373 1.00 60.11 C ATOM 670 C GLU A 45 -1.129 -9.877 -6.395 1.00 52.22 C ATOM 671 O GLU A 45 -1.930 -9.667 -5.484 1.00 14.10 O ATOM 672 CB GLU A 45 1.194 -10.700 -5.965 1.00 41.24 C ATOM 673 CG GLU A 45 2.115 -11.881 -5.710 1.00 30.10 C ATOM 674 CD GLU A 45 1.713 -12.680 -4.486 1.00 31.24 C ATOM 675 OE1 GLU A 45 1.385 -12.058 -3.453 1.00 64.23 O ATOM 676 OE2 GLU A 45 1.726 -13.927 -4.559 1.00 51.43 O ATOM 0 H GLU A 45 0.723 -11.985 -8.024 1.00 61.32 H new ATOM 0 HA GLU A 45 -0.617 -11.811 -5.642 1.00 60.11 H new ATOM 0 HB2 GLU A 45 1.625 -10.077 -6.749 1.00 41.24 H new ATOM 0 HB3 GLU A 45 1.143 -10.089 -5.064 1.00 41.24 H new ATOM 0 HG2 GLU A 45 2.112 -12.534 -6.583 1.00 30.10 H new ATOM 0 HG3 GLU A 45 3.136 -11.520 -5.585 1.00 30.10 H new ATOM 683 N ILE A 46 -0.995 -9.069 -7.441 1.00 42.15 N ATOM 684 CA ILE A 46 -1.800 -7.862 -7.583 1.00 32.33 C ATOM 685 C ILE A 46 -3.279 -8.159 -7.357 1.00 41.14 C ATOM 686 O ILE A 46 -3.970 -7.424 -6.652 1.00 12.21 O ATOM 687 CB ILE A 46 -1.622 -7.226 -8.974 1.00 30.10 C ATOM 688 CG1 ILE A 46 -0.167 -6.799 -9.181 1.00 74.10 C ATOM 689 CG2 ILE A 46 -2.557 -6.037 -9.136 1.00 70.03 C ATOM 690 CD1 ILE A 46 0.369 -7.129 -10.556 1.00 63.32 C ATOM 0 H ILE A 46 -0.336 -9.228 -8.203 1.00 42.15 H new ATOM 0 HA ILE A 46 -1.452 -7.160 -6.825 1.00 32.33 H new ATOM 0 HB ILE A 46 -1.875 -7.968 -9.732 1.00 30.10 H new ATOM 0 HG12 ILE A 46 -0.085 -5.725 -9.016 1.00 74.10 H new ATOM 0 HG13 ILE A 46 0.456 -7.285 -8.430 1.00 74.10 H new ATOM 0 HG21 ILE A 46 -2.420 -5.598 -10.124 1.00 70.03 H new ATOM 0 HG22 ILE A 46 -3.590 -6.369 -9.027 1.00 70.03 H new ATOM 0 HG23 ILE A 46 -2.333 -5.291 -8.373 1.00 70.03 H new ATOM 0 HD11 ILE A 46 1.405 -6.798 -10.632 1.00 63.32 H new ATOM 0 HD12 ILE A 46 0.319 -8.206 -10.717 1.00 63.32 H new ATOM 0 HD13 ILE A 46 -0.230 -6.621 -11.312 1.00 63.32 H new ATOM 702 N PHE A 47 -3.758 -9.242 -7.960 1.00 71.01 N ATOM 703 CA PHE A 47 -5.155 -9.637 -7.825 1.00 32.32 C ATOM 704 C PHE A 47 -5.538 -9.787 -6.355 1.00 71.44 C ATOM 705 O PHE A 47 -6.639 -9.415 -5.949 1.00 21.44 O ATOM 706 CB PHE A 47 -5.410 -10.951 -8.567 1.00 23.14 C ATOM 707 CG PHE A 47 -6.580 -11.725 -8.031 1.00 13.11 C ATOM 708 CD1 PHE A 47 -6.420 -12.608 -6.975 1.00 44.23 C ATOM 709 CD2 PHE A 47 -7.841 -11.570 -8.583 1.00 55.35 C ATOM 710 CE1 PHE A 47 -7.495 -13.321 -6.480 1.00 22.23 C ATOM 711 CE2 PHE A 47 -8.920 -12.280 -8.092 1.00 13.11 C ATOM 712 CZ PHE A 47 -8.747 -13.158 -7.040 1.00 4.44 C ATOM 0 H PHE A 47 -3.199 -9.862 -8.547 1.00 71.01 H new ATOM 0 HA PHE A 47 -5.772 -8.854 -8.265 1.00 32.32 H new ATOM 0 HB2 PHE A 47 -5.579 -10.736 -9.622 1.00 23.14 H new ATOM 0 HB3 PHE A 47 -4.516 -11.572 -8.508 1.00 23.14 H new ATOM 0 HD1 PHE A 47 -5.443 -12.740 -6.534 1.00 44.23 H new ATOM 0 HD2 PHE A 47 -7.982 -10.886 -9.407 1.00 55.35 H new ATOM 0 HE1 PHE A 47 -7.356 -14.005 -5.656 1.00 22.23 H new ATOM 0 HE2 PHE A 47 -9.898 -12.148 -8.531 1.00 13.11 H new ATOM 0 HZ PHE A 47 -9.589 -13.716 -6.656 1.00 4.44 H new ATOM 722 N ARG A 48 -4.622 -10.336 -5.564 1.00 44.53 N ATOM 723 CA ARG A 48 -4.863 -10.537 -4.141 1.00 1.13 C ATOM 724 C ARG A 48 -4.907 -9.202 -3.403 1.00 30.24 C ATOM 725 O ARG A 48 -5.270 -9.143 -2.228 1.00 35.45 O ATOM 726 CB ARG A 48 -3.776 -11.429 -3.539 1.00 21.24 C ATOM 727 CG ARG A 48 -4.320 -12.666 -2.841 1.00 44.55 C ATOM 728 CD ARG A 48 -5.086 -12.302 -1.580 1.00 14.43 C ATOM 729 NE ARG A 48 -4.234 -12.331 -0.394 1.00 14.11 N ATOM 730 CZ ARG A 48 -4.517 -11.683 0.731 1.00 54.24 C ATOM 731 NH1 ARG A 48 -5.625 -10.959 0.822 1.00 65.02 N ATOM 732 NH2 ARG A 48 -3.692 -11.758 1.767 1.00 73.30 N ATOM 0 H ARG A 48 -3.706 -10.649 -5.885 1.00 44.53 H new ATOM 0 HA ARG A 48 -5.830 -11.027 -4.028 1.00 1.13 H new ATOM 0 HB2 ARG A 48 -3.093 -11.739 -4.330 1.00 21.24 H new ATOM 0 HB3 ARG A 48 -3.193 -10.846 -2.825 1.00 21.24 H new ATOM 0 HG2 ARG A 48 -4.975 -13.211 -3.521 1.00 44.55 H new ATOM 0 HG3 ARG A 48 -3.497 -13.334 -2.588 1.00 44.55 H new ATOM 0 HD2 ARG A 48 -5.517 -11.307 -1.692 1.00 14.43 H new ATOM 0 HD3 ARG A 48 -5.916 -12.996 -1.447 1.00 14.43 H new ATOM 0 HE ARG A 48 -3.374 -12.879 -0.431 1.00 14.11 H new ATOM 0 HH11 ARG A 48 -6.262 -10.899 0.027 1.00 65.02 H new ATOM 0 HH12 ARG A 48 -5.840 -10.462 1.687 1.00 65.02 H new ATOM 0 HH21 ARG A 48 -2.839 -12.314 1.701 1.00 73.30 H new ATOM 0 HH22 ARG A 48 -3.910 -11.260 2.630 1.00 73.30 H new ATOM 746 N ILE A 49 -4.534 -8.134 -4.099 1.00 73.15 N ATOM 747 CA ILE A 49 -4.532 -6.801 -3.510 1.00 40.23 C ATOM 748 C ILE A 49 -5.751 -6.000 -3.957 1.00 64.30 C ATOM 749 O ILE A 49 -6.125 -5.013 -3.323 1.00 33.23 O ATOM 750 CB ILE A 49 -3.256 -6.023 -3.883 1.00 10.11 C ATOM 751 CG1 ILE A 49 -2.017 -6.888 -3.643 1.00 41.04 C ATOM 752 CG2 ILE A 49 -3.170 -4.732 -3.083 1.00 12.15 C ATOM 753 CD1 ILE A 49 -1.835 -7.296 -2.198 1.00 41.12 C ATOM 0 H ILE A 49 -4.229 -8.166 -5.072 1.00 73.15 H new ATOM 0 HA ILE A 49 -4.564 -6.934 -2.429 1.00 40.23 H new ATOM 0 HB ILE A 49 -3.299 -5.769 -4.942 1.00 10.11 H new ATOM 0 HG12 ILE A 49 -2.085 -7.784 -4.259 1.00 41.04 H new ATOM 0 HG13 ILE A 49 -1.133 -6.341 -3.972 1.00 41.04 H new ATOM 0 HG21 ILE A 49 -2.263 -4.193 -3.358 1.00 12.15 H new ATOM 0 HG22 ILE A 49 -4.040 -4.112 -3.299 1.00 12.15 H new ATOM 0 HG23 ILE A 49 -3.145 -4.965 -2.018 1.00 12.15 H new ATOM 0 HD11 ILE A 49 -0.937 -7.907 -2.103 1.00 41.12 H new ATOM 0 HD12 ILE A 49 -1.735 -6.405 -1.578 1.00 41.12 H new ATOM 0 HD13 ILE A 49 -2.701 -7.870 -1.870 1.00 41.12 H new ATOM 765 N LEU A 50 -6.367 -6.433 -5.052 1.00 3.24 N ATOM 766 CA LEU A 50 -7.546 -5.758 -5.583 1.00 44.32 C ATOM 767 C LEU A 50 -8.821 -6.327 -4.972 1.00 35.54 C ATOM 768 O LEU A 50 -9.840 -5.643 -4.886 1.00 41.22 O ATOM 769 CB LEU A 50 -7.592 -5.893 -7.106 1.00 62.42 C ATOM 770 CG LEU A 50 -6.932 -4.766 -7.901 1.00 1.12 C ATOM 771 CD1 LEU A 50 -5.559 -5.194 -8.395 1.00 60.13 C ATOM 772 CD2 LEU A 50 -7.815 -4.348 -9.068 1.00 22.32 C ATOM 0 H LEU A 50 -6.070 -7.248 -5.589 1.00 3.24 H new ATOM 0 HA LEU A 50 -7.479 -4.702 -5.320 1.00 44.32 H new ATOM 0 HB2 LEU A 50 -7.114 -6.833 -7.382 1.00 62.42 H new ATOM 0 HB3 LEU A 50 -8.636 -5.964 -7.413 1.00 62.42 H new ATOM 0 HG LEU A 50 -6.806 -3.908 -7.241 1.00 1.12 H new ATOM 0 HD11 LEU A 50 -5.105 -4.379 -8.959 1.00 60.13 H new ATOM 0 HD12 LEU A 50 -4.927 -5.442 -7.543 1.00 60.13 H new ATOM 0 HD13 LEU A 50 -5.660 -6.068 -9.038 1.00 60.13 H new ATOM 0 HD21 LEU A 50 -7.329 -3.545 -9.622 1.00 22.32 H new ATOM 0 HD22 LEU A 50 -7.973 -5.201 -9.728 1.00 22.32 H new ATOM 0 HD23 LEU A 50 -8.776 -3.998 -8.690 1.00 22.32 H new ATOM 784 N ASP A 51 -8.757 -7.585 -4.545 1.00 51.34 N ATOM 785 CA ASP A 51 -9.907 -8.246 -3.940 1.00 30.34 C ATOM 786 C ASP A 51 -10.316 -7.550 -2.645 1.00 42.33 C ATOM 787 O ASP A 51 -9.521 -7.434 -1.713 1.00 74.31 O ATOM 788 CB ASP A 51 -9.588 -9.717 -3.662 1.00 1.42 C ATOM 789 CG ASP A 51 -10.703 -10.642 -4.103 1.00 35.23 C ATOM 790 OD1 ASP A 51 -11.922 -10.117 -4.161 1.00 22.34 O ATOM 791 OD2 ASP A 51 -10.473 -11.817 -4.389 1.00 64.30 O ATOM 0 H ASP A 51 -7.921 -8.166 -4.607 1.00 51.34 H new ATOM 0 HA ASP A 51 -10.739 -8.187 -4.642 1.00 30.34 H new ATOM 0 HB2 ASP A 51 -8.667 -9.990 -4.178 1.00 1.42 H new ATOM 0 HB3 ASP A 51 -9.408 -9.852 -2.595 1.00 1.42 H new ATOM 796 N ASN A 52 -11.561 -7.088 -2.596 1.00 50.42 N ATOM 797 CA ASN A 52 -12.076 -6.402 -1.416 1.00 60.33 C ATOM 798 C ASN A 52 -12.899 -7.352 -0.552 1.00 34.14 C ATOM 799 O ASN A 52 -13.165 -7.071 0.617 1.00 32.12 O ATOM 800 CB ASN A 52 -12.930 -5.202 -1.830 1.00 44.20 C ATOM 801 CG ASN A 52 -14.409 -5.532 -1.874 1.00 70.11 C ATOM 802 OD1 ASN A 52 -14.764 -6.553 -2.646 1.00 32.32 O flip ATOM 803 ND2 ASN A 52 -15.222 -4.877 -1.222 1.00 15.33 N flip ATOM 0 H ASN A 52 -12.232 -7.176 -3.359 1.00 50.42 H new ATOM 0 HA ASN A 52 -11.226 -6.050 -0.831 1.00 60.33 H new ATOM 0 HB2 ASN A 52 -12.764 -4.383 -1.130 1.00 44.20 H new ATOM 0 HB3 ASN A 52 -12.609 -4.853 -2.811 1.00 44.20 H new ATOM 0 HD21 ASN A 52 -14.904 -4.101 -0.642 1.00 15.33 H new ATOM 0 HD22 ASN A 52 -16.214 -5.111 -1.261 1.00 15.33 H new ATOM 810 N ASP A 53 -13.299 -8.477 -1.134 1.00 54.11 N ATOM 811 CA ASP A 53 -14.091 -9.470 -0.417 1.00 51.30 C ATOM 812 C ASP A 53 -13.487 -10.862 -0.572 1.00 5.34 C ATOM 813 O ASP A 53 -14.042 -11.847 -0.087 1.00 12.25 O ATOM 814 CB ASP A 53 -15.534 -9.467 -0.926 1.00 25.23 C ATOM 815 CG ASP A 53 -15.628 -9.810 -2.400 1.00 12.35 C ATOM 816 OD1 ASP A 53 -14.624 -9.623 -3.118 1.00 41.12 O ATOM 817 OD2 ASP A 53 -16.706 -10.265 -2.834 1.00 74.41 O ATOM 0 H ASP A 53 -13.088 -8.724 -2.101 1.00 54.11 H new ATOM 0 HA ASP A 53 -14.086 -9.207 0.641 1.00 51.30 H new ATOM 0 HB2 ASP A 53 -16.121 -10.183 -0.351 1.00 25.23 H new ATOM 0 HB3 ASP A 53 -15.974 -8.485 -0.756 1.00 25.23 H new ATOM 822 N GLN A 54 -12.346 -10.934 -1.251 1.00 34.11 N ATOM 823 CA GLN A 54 -11.668 -12.206 -1.471 1.00 11.14 C ATOM 824 C GLN A 54 -12.627 -13.242 -2.047 1.00 33.10 C ATOM 825 O GLN A 54 -12.398 -14.446 -1.932 1.00 72.13 O ATOM 826 CB GLN A 54 -11.069 -12.721 -0.161 1.00 23.30 C ATOM 827 CG GLN A 54 -10.517 -11.620 0.731 1.00 74.35 C ATOM 828 CD GLN A 54 -9.226 -11.031 0.199 1.00 41.32 C ATOM 829 OE1 GLN A 54 -8.211 -11.721 0.095 1.00 13.31 O ATOM 830 NE2 GLN A 54 -9.257 -9.748 -0.142 1.00 2.41 N ATOM 0 H GLN A 54 -11.872 -10.127 -1.658 1.00 34.11 H new ATOM 0 HA GLN A 54 -10.866 -12.042 -2.190 1.00 11.14 H new ATOM 0 HB2 GLN A 54 -11.834 -13.271 0.387 1.00 23.30 H new ATOM 0 HB3 GLN A 54 -10.270 -13.427 -0.389 1.00 23.30 H new ATOM 0 HG2 GLN A 54 -11.260 -10.829 0.827 1.00 74.35 H new ATOM 0 HG3 GLN A 54 -10.345 -12.019 1.731 1.00 74.35 H new ATOM 0 HE21 GLN A 54 -10.120 -9.214 -0.039 1.00 2.41 H new ATOM 0 HE22 GLN A 54 -8.418 -9.297 -0.507 1.00 2.41 H new ATOM 839 N SER A 55 -13.702 -12.766 -2.667 1.00 15.23 N ATOM 840 CA SER A 55 -14.699 -13.651 -3.258 1.00 31.25 C ATOM 841 C SER A 55 -14.076 -14.521 -4.345 1.00 54.15 C ATOM 842 O SER A 55 -14.638 -15.544 -4.735 1.00 44.01 O ATOM 843 CB SER A 55 -15.855 -12.836 -3.840 1.00 12.20 C ATOM 844 OG SER A 55 -15.380 -11.671 -4.493 1.00 22.41 O ATOM 0 H SER A 55 -13.905 -11.772 -2.773 1.00 15.23 H new ATOM 0 HA SER A 55 -15.083 -14.301 -2.472 1.00 31.25 H new ATOM 0 HB2 SER A 55 -16.417 -13.448 -4.545 1.00 12.20 H new ATOM 0 HB3 SER A 55 -16.543 -12.555 -3.043 1.00 12.20 H new ATOM 0 HG SER A 55 -16.001 -10.930 -4.333 1.00 22.41 H new ATOM 850 N GLY A 56 -12.911 -14.105 -4.832 1.00 40.02 N ATOM 851 CA GLY A 56 -12.230 -14.856 -5.871 1.00 32.24 C ATOM 852 C GLY A 56 -12.081 -14.066 -7.155 1.00 54.43 C ATOM 853 O GLY A 56 -11.285 -14.423 -8.024 1.00 13.21 O ATOM 0 H GLY A 56 -12.426 -13.261 -4.526 1.00 40.02 H new ATOM 0 HA2 GLY A 56 -11.244 -15.152 -5.514 1.00 32.24 H new ATOM 0 HA3 GLY A 56 -12.784 -15.773 -6.074 1.00 32.24 H new ATOM 857 N PHE A 57 -12.850 -12.989 -7.278 1.00 14.31 N ATOM 858 CA PHE A 57 -12.802 -12.147 -8.467 1.00 55.44 C ATOM 859 C PHE A 57 -12.999 -10.678 -8.102 1.00 62.04 C ATOM 860 O PHE A 57 -13.754 -10.351 -7.186 1.00 44.01 O ATOM 861 CB PHE A 57 -13.873 -12.582 -9.470 1.00 71.10 C ATOM 862 CG PHE A 57 -13.911 -14.066 -9.700 1.00 11.03 C ATOM 863 CD1 PHE A 57 -14.614 -14.896 -8.841 1.00 0.50 C ATOM 864 CD2 PHE A 57 -13.243 -14.631 -10.774 1.00 73.32 C ATOM 865 CE1 PHE A 57 -14.651 -16.261 -9.050 1.00 33.44 C ATOM 866 CE2 PHE A 57 -13.277 -15.996 -10.988 1.00 74.21 C ATOM 867 CZ PHE A 57 -13.981 -16.812 -10.124 1.00 71.52 C ATOM 0 H PHE A 57 -13.514 -12.679 -6.568 1.00 14.31 H new ATOM 0 HA PHE A 57 -11.819 -12.262 -8.923 1.00 55.44 H new ATOM 0 HB2 PHE A 57 -14.849 -12.253 -9.113 1.00 71.10 H new ATOM 0 HB3 PHE A 57 -13.695 -12.079 -10.421 1.00 71.10 H new ATOM 0 HD1 PHE A 57 -15.139 -14.471 -7.998 1.00 0.50 H new ATOM 0 HD2 PHE A 57 -12.690 -13.998 -11.452 1.00 73.32 H new ATOM 0 HE1 PHE A 57 -15.204 -16.897 -8.374 1.00 33.44 H new ATOM 0 HE2 PHE A 57 -12.754 -16.424 -11.830 1.00 74.21 H new ATOM 0 HZ PHE A 57 -14.007 -17.879 -10.288 1.00 71.52 H new ATOM 877 N ILE A 58 -12.314 -9.798 -8.825 1.00 61.32 N ATOM 878 CA ILE A 58 -12.413 -8.365 -8.578 1.00 70.23 C ATOM 879 C ILE A 58 -13.502 -7.733 -9.438 1.00 74.32 C ATOM 880 O ILE A 58 -13.315 -7.519 -10.635 1.00 42.41 O ATOM 881 CB ILE A 58 -11.077 -7.652 -8.857 1.00 24.22 C ATOM 882 CG1 ILE A 58 -9.968 -8.239 -7.981 1.00 31.14 C ATOM 883 CG2 ILE A 58 -11.214 -6.156 -8.616 1.00 30.45 C ATOM 884 CD1 ILE A 58 -8.638 -8.361 -8.690 1.00 43.11 C ATOM 0 H ILE A 58 -11.685 -10.052 -9.586 1.00 61.32 H new ATOM 0 HA ILE A 58 -12.668 -8.243 -7.525 1.00 70.23 H new ATOM 0 HB ILE A 58 -10.810 -7.809 -9.902 1.00 24.22 H new ATOM 0 HG12 ILE A 58 -9.844 -7.612 -7.098 1.00 31.14 H new ATOM 0 HG13 ILE A 58 -10.276 -9.224 -7.631 1.00 31.14 H new ATOM 0 HG21 ILE A 58 -10.261 -5.666 -8.817 1.00 30.45 H new ATOM 0 HG22 ILE A 58 -11.978 -5.749 -9.278 1.00 30.45 H new ATOM 0 HG23 ILE A 58 -11.501 -5.979 -7.579 1.00 30.45 H new ATOM 0 HD11 ILE A 58 -7.900 -8.784 -8.009 1.00 43.11 H new ATOM 0 HD12 ILE A 58 -8.746 -9.012 -9.557 1.00 43.11 H new ATOM 0 HD13 ILE A 58 -8.308 -7.375 -9.016 1.00 43.11 H new ATOM 896 N GLU A 59 -14.640 -7.436 -8.818 1.00 73.43 N ATOM 897 CA GLU A 59 -15.760 -6.828 -9.528 1.00 5.33 C ATOM 898 C GLU A 59 -15.516 -5.338 -9.752 1.00 30.01 C ATOM 899 O GLU A 59 -14.645 -4.740 -9.121 1.00 52.32 O ATOM 900 CB GLU A 59 -17.059 -7.031 -8.746 1.00 30.31 C ATOM 901 CG GLU A 59 -17.257 -8.455 -8.254 1.00 24.21 C ATOM 902 CD GLU A 59 -16.955 -8.609 -6.776 1.00 4.11 C ATOM 903 OE1 GLU A 59 -17.703 -8.040 -5.954 1.00 51.44 O ATOM 904 OE2 GLU A 59 -15.969 -9.299 -6.441 1.00 72.31 O ATOM 0 H GLU A 59 -14.811 -7.606 -7.827 1.00 73.43 H new ATOM 0 HA GLU A 59 -15.849 -7.315 -10.499 1.00 5.33 H new ATOM 0 HB2 GLU A 59 -17.068 -6.356 -7.891 1.00 30.31 H new ATOM 0 HB3 GLU A 59 -17.902 -6.754 -9.379 1.00 30.31 H new ATOM 0 HG2 GLU A 59 -18.285 -8.762 -8.445 1.00 24.21 H new ATOM 0 HG3 GLU A 59 -16.614 -9.125 -8.824 1.00 24.21 H new ATOM 911 N GLU A 60 -16.292 -4.747 -10.655 1.00 41.12 N ATOM 912 CA GLU A 60 -16.159 -3.328 -10.964 1.00 13.14 C ATOM 913 C GLU A 60 -16.244 -2.485 -9.694 1.00 51.03 C ATOM 914 O GLU A 60 -15.652 -1.409 -9.610 1.00 64.12 O ATOM 915 CB GLU A 60 -17.245 -2.894 -11.950 1.00 73.14 C ATOM 916 CG GLU A 60 -16.973 -3.323 -13.382 1.00 43.25 C ATOM 917 CD GLU A 60 -18.245 -3.535 -14.180 1.00 42.21 C ATOM 918 OE1 GLU A 60 -19.058 -4.395 -13.783 1.00 54.21 O ATOM 919 OE2 GLU A 60 -18.426 -2.840 -15.202 1.00 15.33 O ATOM 0 H GLU A 60 -17.019 -5.228 -11.185 1.00 41.12 H new ATOM 0 HA GLU A 60 -15.181 -3.172 -11.420 1.00 13.14 H new ATOM 0 HB2 GLU A 60 -18.201 -3.309 -11.631 1.00 73.14 H new ATOM 0 HB3 GLU A 60 -17.342 -1.809 -11.917 1.00 73.14 H new ATOM 0 HG2 GLU A 60 -16.362 -2.566 -13.874 1.00 43.25 H new ATOM 0 HG3 GLU A 60 -16.394 -4.246 -13.377 1.00 43.25 H new ATOM 926 N ASP A 61 -16.985 -2.982 -8.710 1.00 10.30 N ATOM 927 CA ASP A 61 -17.148 -2.276 -7.444 1.00 42.44 C ATOM 928 C ASP A 61 -15.807 -2.120 -6.733 1.00 15.31 C ATOM 929 O ASP A 61 -15.632 -1.222 -5.910 1.00 52.41 O ATOM 930 CB ASP A 61 -18.134 -3.021 -6.543 1.00 40.44 C ATOM 931 CG ASP A 61 -18.840 -2.097 -5.570 1.00 20.40 C ATOM 932 OD1 ASP A 61 -19.305 -1.022 -6.003 1.00 0.14 O ATOM 933 OD2 ASP A 61 -18.928 -2.451 -4.376 1.00 14.23 O ATOM 0 H ASP A 61 -17.482 -3.871 -8.764 1.00 10.30 H new ATOM 0 HA ASP A 61 -17.543 -1.283 -7.658 1.00 42.44 H new ATOM 0 HB2 ASP A 61 -18.875 -3.528 -7.161 1.00 40.44 H new ATOM 0 HB3 ASP A 61 -17.602 -3.792 -5.986 1.00 40.44 H new ATOM 938 N GLU A 62 -14.866 -3.001 -7.055 1.00 41.03 N ATOM 939 CA GLU A 62 -13.542 -2.961 -6.445 1.00 32.42 C ATOM 940 C GLU A 62 -12.479 -2.587 -7.474 1.00 34.11 C ATOM 941 O GLU A 62 -11.353 -2.235 -7.120 1.00 71.33 O ATOM 942 CB GLU A 62 -13.205 -4.315 -5.817 1.00 32.33 C ATOM 943 CG GLU A 62 -13.890 -5.489 -6.497 1.00 21.04 C ATOM 944 CD GLU A 62 -13.779 -6.772 -5.696 1.00 72.34 C ATOM 945 OE1 GLU A 62 -12.643 -7.245 -5.487 1.00 22.24 O ATOM 946 OE2 GLU A 62 -14.830 -7.303 -5.280 1.00 30.52 O ATOM 0 H GLU A 62 -14.995 -3.751 -7.734 1.00 41.03 H new ATOM 0 HA GLU A 62 -13.552 -2.199 -5.666 1.00 32.42 H new ATOM 0 HB2 GLU A 62 -12.126 -4.464 -5.853 1.00 32.33 H new ATOM 0 HB3 GLU A 62 -13.489 -4.299 -4.765 1.00 32.33 H new ATOM 0 HG2 GLU A 62 -14.942 -5.251 -6.651 1.00 21.04 H new ATOM 0 HG3 GLU A 62 -13.450 -5.641 -7.482 1.00 21.04 H new ATOM 953 N LEU A 63 -12.845 -2.666 -8.748 1.00 51.15 N ATOM 954 CA LEU A 63 -11.924 -2.336 -9.831 1.00 21.24 C ATOM 955 C LEU A 63 -11.770 -0.825 -9.974 1.00 34.44 C ATOM 956 O LEU A 63 -10.725 -0.334 -10.400 1.00 72.03 O ATOM 957 CB LEU A 63 -12.417 -2.937 -11.148 1.00 34.12 C ATOM 958 CG LEU A 63 -11.364 -3.650 -11.997 1.00 31.14 C ATOM 959 CD1 LEU A 63 -11.993 -4.223 -13.257 1.00 61.12 C ATOM 960 CD2 LEU A 63 -10.230 -2.699 -12.349 1.00 40.21 C ATOM 0 H LEU A 63 -13.773 -2.956 -9.057 1.00 51.15 H new ATOM 0 HA LEU A 63 -10.950 -2.760 -9.588 1.00 21.24 H new ATOM 0 HB2 LEU A 63 -13.215 -3.645 -10.925 1.00 34.12 H new ATOM 0 HB3 LEU A 63 -12.857 -2.139 -11.746 1.00 34.12 H new ATOM 0 HG LEU A 63 -10.952 -4.474 -11.415 1.00 31.14 H new ATOM 0 HD11 LEU A 63 -11.229 -4.727 -13.849 1.00 61.12 H new ATOM 0 HD12 LEU A 63 -12.769 -4.937 -12.984 1.00 61.12 H new ATOM 0 HD13 LEU A 63 -12.433 -3.416 -13.843 1.00 61.12 H new ATOM 0 HD21 LEU A 63 -9.490 -3.223 -12.953 1.00 40.21 H new ATOM 0 HD22 LEU A 63 -10.626 -1.854 -12.912 1.00 40.21 H new ATOM 0 HD23 LEU A 63 -9.761 -2.337 -11.434 1.00 40.21 H new ATOM 972 N LYS A 64 -12.818 -0.093 -9.612 1.00 51.41 N ATOM 973 CA LYS A 64 -12.800 1.363 -9.696 1.00 71.12 C ATOM 974 C LYS A 64 -11.754 1.949 -8.754 1.00 0.53 C ATOM 975 O LYS A 64 -11.419 3.131 -8.841 1.00 64.11 O ATOM 976 CB LYS A 64 -14.181 1.931 -9.360 1.00 23.12 C ATOM 977 CG LYS A 64 -14.801 1.324 -8.113 1.00 4.41 C ATOM 978 CD LYS A 64 -15.586 2.357 -7.322 1.00 74.10 C ATOM 979 CE LYS A 64 -16.742 2.921 -8.135 1.00 64.31 C ATOM 980 NZ LYS A 64 -18.060 2.610 -7.516 1.00 23.52 N ATOM 0 H LYS A 64 -13.691 -0.484 -9.258 1.00 51.41 H new ATOM 0 HA LYS A 64 -12.539 1.640 -10.717 1.00 71.12 H new ATOM 0 HB2 LYS A 64 -14.098 3.010 -9.226 1.00 23.12 H new ATOM 0 HB3 LYS A 64 -14.849 1.765 -10.205 1.00 23.12 H new ATOM 0 HG2 LYS A 64 -15.460 0.503 -8.396 1.00 4.41 H new ATOM 0 HG3 LYS A 64 -14.017 0.902 -7.484 1.00 4.41 H new ATOM 0 HD2 LYS A 64 -15.970 1.903 -6.409 1.00 74.10 H new ATOM 0 HD3 LYS A 64 -14.922 3.167 -7.021 1.00 74.10 H new ATOM 0 HE2 LYS A 64 -16.629 4.001 -8.225 1.00 64.31 H new ATOM 0 HE3 LYS A 64 -16.709 2.512 -9.145 1.00 64.31 H new ATOM 0 HZ1 LYS A 64 -18.821 3.011 -8.100 1.00 23.52 H new ATOM 0 HZ2 LYS A 64 -18.179 1.579 -7.453 1.00 23.52 H new ATOM 0 HZ3 LYS A 64 -18.101 3.022 -6.562 1.00 23.52 H new ATOM 994 N TYR A 65 -11.241 1.117 -7.855 1.00 33.23 N ATOM 995 CA TYR A 65 -10.234 1.553 -6.895 1.00 42.55 C ATOM 996 C TYR A 65 -8.845 1.073 -7.307 1.00 14.11 C ATOM 997 O TYR A 65 -8.097 0.530 -6.494 1.00 33.12 O ATOM 998 CB TYR A 65 -10.572 1.034 -5.497 1.00 43.00 C ATOM 999 CG TYR A 65 -11.808 1.666 -4.899 1.00 1.44 C ATOM 1000 CD1 TYR A 65 -11.951 3.048 -4.851 1.00 34.34 C ATOM 1001 CD2 TYR A 65 -12.832 0.883 -4.380 1.00 44.23 C ATOM 1002 CE1 TYR A 65 -13.079 3.630 -4.304 1.00 43.21 C ATOM 1003 CE2 TYR A 65 -13.963 1.457 -3.833 1.00 60.13 C ATOM 1004 CZ TYR A 65 -14.082 2.831 -3.797 1.00 62.43 C ATOM 1005 OH TYR A 65 -15.207 3.406 -3.252 1.00 24.10 O ATOM 0 H TYR A 65 -11.506 0.136 -7.771 1.00 33.23 H new ATOM 0 HA TYR A 65 -10.232 2.643 -6.879 1.00 42.55 H new ATOM 0 HB2 TYR A 65 -10.713 -0.046 -5.544 1.00 43.00 H new ATOM 0 HB3 TYR A 65 -9.725 1.217 -4.836 1.00 43.00 H new ATOM 0 HD1 TYR A 65 -11.168 3.677 -5.248 1.00 34.34 H new ATOM 0 HD2 TYR A 65 -12.742 -0.193 -4.405 1.00 44.23 H new ATOM 0 HE1 TYR A 65 -13.174 4.705 -4.274 1.00 43.21 H new ATOM 0 HE2 TYR A 65 -14.750 0.833 -3.436 1.00 60.13 H new ATOM 0 HH TYR A 65 -15.816 2.704 -2.942 1.00 24.10 H new ATOM 1015 N PHE A 66 -8.508 1.278 -8.576 1.00 24.03 N ATOM 1016 CA PHE A 66 -7.210 0.866 -9.097 1.00 44.23 C ATOM 1017 C PHE A 66 -6.168 1.962 -8.891 1.00 21.13 C ATOM 1018 O PHE A 66 -4.965 1.699 -8.893 1.00 25.10 O ATOM 1019 CB PHE A 66 -7.319 0.525 -10.585 1.00 21.22 C ATOM 1020 CG PHE A 66 -5.989 0.313 -11.250 1.00 73.55 C ATOM 1021 CD1 PHE A 66 -5.245 -0.827 -10.993 1.00 23.12 C ATOM 1022 CD2 PHE A 66 -5.484 1.253 -12.134 1.00 2.05 C ATOM 1023 CE1 PHE A 66 -4.021 -1.026 -11.604 1.00 1.21 C ATOM 1024 CE2 PHE A 66 -4.261 1.060 -12.748 1.00 30.41 C ATOM 1025 CZ PHE A 66 -3.528 -0.080 -12.482 1.00 31.51 C ATOM 0 H PHE A 66 -9.115 1.727 -9.262 1.00 24.03 H new ATOM 0 HA PHE A 66 -6.892 -0.021 -8.550 1.00 44.23 H new ATOM 0 HB2 PHE A 66 -7.922 -0.376 -10.700 1.00 21.22 H new ATOM 0 HB3 PHE A 66 -7.848 1.329 -11.096 1.00 21.22 H new ATOM 0 HD1 PHE A 66 -5.626 -1.569 -10.307 1.00 23.12 H new ATOM 0 HD2 PHE A 66 -6.053 2.147 -12.346 1.00 2.05 H new ATOM 0 HE1 PHE A 66 -3.451 -1.919 -11.395 1.00 1.21 H new ATOM 0 HE2 PHE A 66 -3.879 1.800 -13.435 1.00 30.41 H new ATOM 0 HZ PHE A 66 -2.571 -0.232 -12.959 1.00 31.51 H new ATOM 1035 N LEU A 67 -6.639 3.191 -8.713 1.00 2.21 N ATOM 1036 CA LEU A 67 -5.749 4.329 -8.505 1.00 72.42 C ATOM 1037 C LEU A 67 -5.609 4.646 -7.020 1.00 10.21 C ATOM 1038 O LEU A 67 -4.866 5.549 -6.637 1.00 2.14 O ATOM 1039 CB LEU A 67 -6.274 5.555 -9.253 1.00 52.23 C ATOM 1040 CG LEU A 67 -6.960 5.282 -10.592 1.00 61.15 C ATOM 1041 CD1 LEU A 67 -7.224 6.584 -11.333 1.00 2.04 C ATOM 1042 CD2 LEU A 67 -6.115 4.345 -11.443 1.00 23.21 C ATOM 0 H LEU A 67 -7.632 3.426 -8.708 1.00 2.21 H new ATOM 0 HA LEU A 67 -4.766 4.066 -8.896 1.00 72.42 H new ATOM 0 HB2 LEU A 67 -6.980 6.076 -8.606 1.00 52.23 H new ATOM 0 HB3 LEU A 67 -5.440 6.234 -9.427 1.00 52.23 H new ATOM 0 HG LEU A 67 -7.917 4.799 -10.395 1.00 61.15 H new ATOM 0 HD11 LEU A 67 -7.713 6.369 -12.283 1.00 2.04 H new ATOM 0 HD12 LEU A 67 -7.869 7.222 -10.729 1.00 2.04 H new ATOM 0 HD13 LEU A 67 -6.279 7.095 -11.518 1.00 2.04 H new ATOM 0 HD21 LEU A 67 -6.619 4.162 -12.392 1.00 23.21 H new ATOM 0 HD22 LEU A 67 -5.143 4.801 -11.630 1.00 23.21 H new ATOM 0 HD23 LEU A 67 -5.978 3.400 -10.917 1.00 23.21 H new ATOM 1054 N GLN A 68 -6.327 3.897 -6.189 1.00 65.44 N ATOM 1055 CA GLN A 68 -6.280 4.098 -4.746 1.00 74.10 C ATOM 1056 C GLN A 68 -5.248 3.179 -4.101 1.00 12.01 C ATOM 1057 O GLN A 68 -5.130 3.125 -2.877 1.00 2.33 O ATOM 1058 CB GLN A 68 -7.658 3.848 -4.131 1.00 34.03 C ATOM 1059 CG GLN A 68 -8.382 5.121 -3.723 1.00 34.14 C ATOM 1060 CD GLN A 68 -9.542 5.452 -4.641 1.00 13.43 C ATOM 1061 OE1 GLN A 68 -10.668 5.660 -4.187 1.00 52.03 O ATOM 1062 NE2 GLN A 68 -9.273 5.504 -5.940 1.00 52.20 N ATOM 0 H GLN A 68 -6.948 3.146 -6.490 1.00 65.44 H new ATOM 0 HA GLN A 68 -5.987 5.131 -4.558 1.00 74.10 H new ATOM 0 HB2 GLN A 68 -8.273 3.304 -4.848 1.00 34.03 H new ATOM 0 HB3 GLN A 68 -7.546 3.208 -3.256 1.00 34.03 H new ATOM 0 HG2 GLN A 68 -8.750 5.014 -2.703 1.00 34.14 H new ATOM 0 HG3 GLN A 68 -7.676 5.952 -3.722 1.00 34.14 H new ATOM 0 HE21 GLN A 68 -8.325 5.325 -6.272 1.00 52.20 H new ATOM 0 HE22 GLN A 68 -10.014 5.723 -6.606 1.00 52.20 H new ATOM 1071 N ARG A 69 -4.504 2.458 -4.933 1.00 22.45 N ATOM 1072 CA ARG A 69 -3.483 1.540 -4.443 1.00 25.52 C ATOM 1073 C ARG A 69 -2.085 2.057 -4.770 1.00 63.51 C ATOM 1074 O ARG A 69 -1.177 1.992 -3.940 1.00 55.32 O ATOM 1075 CB ARG A 69 -3.680 0.151 -5.053 1.00 31.30 C ATOM 1076 CG ARG A 69 -5.122 -0.329 -5.022 1.00 10.14 C ATOM 1077 CD ARG A 69 -5.568 -0.843 -6.382 1.00 0.35 C ATOM 1078 NE ARG A 69 -4.547 -1.674 -7.014 1.00 53.01 N ATOM 1079 CZ ARG A 69 -4.206 -2.880 -6.575 1.00 71.41 C ATOM 1080 NH1 ARG A 69 -4.802 -3.394 -5.507 1.00 45.25 N ATOM 1081 NH2 ARG A 69 -3.268 -3.576 -7.205 1.00 21.03 N ATOM 0 H ARG A 69 -4.589 2.492 -5.949 1.00 22.45 H new ATOM 0 HA ARG A 69 -3.582 1.471 -3.360 1.00 25.52 H new ATOM 0 HB2 ARG A 69 -3.333 0.165 -6.086 1.00 31.30 H new ATOM 0 HB3 ARG A 69 -3.056 -0.564 -4.516 1.00 31.30 H new ATOM 0 HG2 ARG A 69 -5.227 -1.121 -4.280 1.00 10.14 H new ATOM 0 HG3 ARG A 69 -5.772 0.488 -4.710 1.00 10.14 H new ATOM 0 HD2 ARG A 69 -6.486 -1.420 -6.268 1.00 0.35 H new ATOM 0 HD3 ARG A 69 -5.801 0.002 -7.030 1.00 0.35 H new ATOM 0 HE ARG A 69 -4.070 -1.308 -7.838 1.00 53.01 H new ATOM 0 HH11 ARG A 69 -5.524 -2.863 -5.021 1.00 45.25 H new ATOM 0 HH12 ARG A 69 -4.538 -4.321 -5.172 1.00 45.25 H new ATOM 0 HH21 ARG A 69 -2.808 -3.185 -8.027 1.00 21.03 H new ATOM 0 HH22 ARG A 69 -3.007 -4.502 -6.867 1.00 21.03 H new ATOM 1095 N PHE A 70 -1.918 2.568 -5.985 1.00 53.41 N ATOM 1096 CA PHE A 70 -0.631 3.095 -6.423 1.00 41.10 C ATOM 1097 C PHE A 70 -0.463 4.549 -5.992 1.00 2.15 C ATOM 1098 O PHE A 70 0.657 5.041 -5.857 1.00 12.30 O ATOM 1099 CB PHE A 70 -0.501 2.984 -7.944 1.00 12.34 C ATOM 1100 CG PHE A 70 -0.620 1.577 -8.454 1.00 74.14 C ATOM 1101 CD1 PHE A 70 -1.864 0.986 -8.612 1.00 44.02 C ATOM 1102 CD2 PHE A 70 0.511 0.845 -8.776 1.00 60.44 C ATOM 1103 CE1 PHE A 70 -1.977 -0.309 -9.082 1.00 41.24 C ATOM 1104 CE2 PHE A 70 0.404 -0.450 -9.247 1.00 71.34 C ATOM 1105 CZ PHE A 70 -0.841 -1.028 -9.399 1.00 74.24 C ATOM 0 H PHE A 70 -2.658 2.628 -6.684 1.00 53.41 H new ATOM 0 HA PHE A 70 0.154 2.502 -5.954 1.00 41.10 H new ATOM 0 HB2 PHE A 70 -1.270 3.598 -8.412 1.00 12.34 H new ATOM 0 HB3 PHE A 70 0.462 3.392 -8.249 1.00 12.34 H new ATOM 0 HD1 PHE A 70 -2.755 1.544 -8.365 1.00 44.02 H new ATOM 0 HD2 PHE A 70 1.487 1.291 -8.658 1.00 60.44 H new ATOM 0 HE1 PHE A 70 -2.952 -0.758 -9.201 1.00 41.24 H new ATOM 0 HE2 PHE A 70 1.294 -1.010 -9.496 1.00 71.34 H new ATOM 0 HZ PHE A 70 -0.926 -2.040 -9.765 1.00 74.24 H new ATOM 1115 N GLU A 71 -1.584 5.230 -5.777 1.00 73.11 N ATOM 1116 CA GLU A 71 -1.561 6.628 -5.362 1.00 72.34 C ATOM 1117 C GLU A 71 -2.129 6.787 -3.955 1.00 5.12 C ATOM 1118 O GLU A 71 -1.801 7.739 -3.246 1.00 62.40 O ATOM 1119 CB GLU A 71 -2.358 7.488 -6.346 1.00 22.33 C ATOM 1120 CG GLU A 71 -1.949 8.951 -6.345 1.00 5.04 C ATOM 1121 CD GLU A 71 -2.256 9.644 -7.658 1.00 63.31 C ATOM 1122 OE1 GLU A 71 -1.939 9.068 -8.720 1.00 61.31 O ATOM 1123 OE2 GLU A 71 -2.812 10.761 -7.624 1.00 72.14 O ATOM 0 H GLU A 71 -2.519 4.837 -5.883 1.00 73.11 H new ATOM 0 HA GLU A 71 -0.523 6.962 -5.356 1.00 72.34 H new ATOM 0 HB2 GLU A 71 -2.233 7.085 -7.351 1.00 22.33 H new ATOM 0 HB3 GLU A 71 -3.418 7.416 -6.103 1.00 22.33 H new ATOM 0 HG2 GLU A 71 -2.465 9.468 -5.536 1.00 5.04 H new ATOM 0 HG3 GLU A 71 -0.881 9.026 -6.140 1.00 5.04 H new ATOM 1130 N SER A 72 -2.982 5.849 -3.557 1.00 60.34 N ATOM 1131 CA SER A 72 -3.599 5.887 -2.237 1.00 30.53 C ATOM 1132 C SER A 72 -4.146 7.278 -1.932 1.00 74.25 C ATOM 1133 O SER A 72 -3.542 8.045 -1.185 1.00 3.21 O ATOM 1134 CB SER A 72 -2.586 5.479 -1.165 1.00 42.13 C ATOM 1135 OG SER A 72 -1.526 6.417 -1.082 1.00 74.35 O ATOM 0 H SER A 72 -3.262 5.053 -4.130 1.00 60.34 H new ATOM 0 HA SER A 72 -4.429 5.180 -2.231 1.00 30.53 H new ATOM 0 HB2 SER A 72 -3.085 5.403 -0.199 1.00 42.13 H new ATOM 0 HB3 SER A 72 -2.185 4.492 -1.396 1.00 42.13 H new ATOM 0 HG SER A 72 -1.815 7.272 -1.464 1.00 74.35 H new ATOM 1141 N GLY A 73 -5.297 7.596 -2.519 1.00 22.33 N ATOM 1142 CA GLY A 73 -5.907 8.894 -2.299 1.00 74.30 C ATOM 1143 C GLY A 73 -6.472 9.492 -3.572 1.00 64.03 C ATOM 1144 O GLY A 73 -7.181 10.496 -3.533 1.00 13.53 O ATOM 0 H GLY A 73 -5.817 6.978 -3.142 1.00 22.33 H new ATOM 0 HA2 GLY A 73 -6.704 8.797 -1.562 1.00 74.30 H new ATOM 0 HA3 GLY A 73 -5.166 9.574 -1.880 1.00 74.30 H new ATOM 1148 N ALA A 74 -6.154 8.874 -4.706 1.00 14.54 N ATOM 1149 CA ALA A 74 -6.635 9.352 -5.996 1.00 41.02 C ATOM 1150 C ALA A 74 -8.120 9.056 -6.173 1.00 14.45 C ATOM 1151 O ALA A 74 -8.778 8.563 -5.256 1.00 63.52 O ATOM 1152 CB ALA A 74 -5.832 8.722 -7.124 1.00 62.25 C ATOM 0 H ALA A 74 -5.566 8.042 -4.757 1.00 14.54 H new ATOM 0 HA ALA A 74 -6.501 10.433 -6.028 1.00 41.02 H new ATOM 0 HB1 ALA A 74 -6.202 9.088 -8.082 1.00 62.25 H new ATOM 0 HB2 ALA A 74 -4.781 8.988 -7.015 1.00 62.25 H new ATOM 0 HB3 ALA A 74 -5.937 7.638 -7.084 1.00 62.25 H new ATOM 1158 N ARG A 75 -8.644 9.362 -7.355 1.00 44.43 N ATOM 1159 CA ARG A 75 -10.052 9.131 -7.650 1.00 55.14 C ATOM 1160 C ARG A 75 -10.281 7.697 -8.120 1.00 13.41 C ATOM 1161 O ARG A 75 -9.334 6.929 -8.287 1.00 31.11 O ATOM 1162 CB ARG A 75 -10.540 10.113 -8.718 1.00 23.41 C ATOM 1163 CG ARG A 75 -9.936 9.868 -10.091 1.00 72.22 C ATOM 1164 CD ARG A 75 -10.604 10.726 -11.154 1.00 73.33 C ATOM 1165 NE ARG A 75 -12.060 10.609 -11.117 1.00 4.02 N ATOM 1166 CZ ARG A 75 -12.883 11.517 -11.628 1.00 11.52 C ATOM 1167 NH1 ARG A 75 -12.397 12.603 -12.213 1.00 1.43 N ATOM 1168 NH2 ARG A 75 -14.196 11.340 -11.555 1.00 11.23 N ATOM 0 H ARG A 75 -8.114 9.771 -8.124 1.00 44.43 H new ATOM 0 HA ARG A 75 -10.620 9.290 -6.733 1.00 55.14 H new ATOM 0 HB2 ARG A 75 -11.626 10.048 -8.791 1.00 23.41 H new ATOM 0 HB3 ARG A 75 -10.302 11.129 -8.402 1.00 23.41 H new ATOM 0 HG2 ARG A 75 -8.868 10.086 -10.064 1.00 72.22 H new ATOM 0 HG3 ARG A 75 -10.040 8.815 -10.353 1.00 72.22 H new ATOM 0 HD2 ARG A 75 -10.320 11.768 -11.009 1.00 73.33 H new ATOM 0 HD3 ARG A 75 -10.242 10.431 -12.139 1.00 73.33 H new ATOM 0 HE ARG A 75 -12.466 9.785 -10.674 1.00 4.02 H new ATOM 0 HH11 ARG A 75 -11.388 12.743 -12.271 1.00 1.43 H new ATOM 0 HH12 ARG A 75 -13.032 13.299 -12.605 1.00 1.43 H new ATOM 0 HH21 ARG A 75 -14.574 10.506 -11.106 1.00 11.23 H new ATOM 0 HH22 ARG A 75 -14.827 12.038 -11.948 1.00 11.23 H new ATOM 1182 N VAL A 76 -11.545 7.344 -8.331 1.00 32.32 N ATOM 1183 CA VAL A 76 -11.899 6.003 -8.781 1.00 61.05 C ATOM 1184 C VAL A 76 -12.133 5.974 -10.288 1.00 34.54 C ATOM 1185 O VAL A 76 -12.544 6.971 -10.883 1.00 32.42 O ATOM 1186 CB VAL A 76 -13.161 5.485 -8.066 1.00 50.23 C ATOM 1187 CG1 VAL A 76 -13.132 5.862 -6.593 1.00 34.42 C ATOM 1188 CG2 VAL A 76 -14.414 6.026 -8.739 1.00 23.01 C ATOM 0 H VAL A 76 -12.341 7.968 -8.198 1.00 32.32 H new ATOM 0 HA VAL A 76 -11.059 5.354 -8.534 1.00 61.05 H new ATOM 0 HB VAL A 76 -13.178 4.398 -8.138 1.00 50.23 H new ATOM 0 HG11 VAL A 76 -14.031 5.488 -6.104 1.00 34.42 H new ATOM 0 HG12 VAL A 76 -12.253 5.422 -6.122 1.00 34.42 H new ATOM 0 HG13 VAL A 76 -13.091 6.947 -6.496 1.00 34.42 H new ATOM 0 HG21 VAL A 76 -15.296 5.650 -8.221 1.00 23.01 H new ATOM 0 HG22 VAL A 76 -14.407 7.115 -8.700 1.00 23.01 H new ATOM 0 HG23 VAL A 76 -14.438 5.701 -9.779 1.00 23.01 H new ATOM 1198 N LEU A 77 -11.870 4.824 -10.899 1.00 72.01 N ATOM 1199 CA LEU A 77 -12.053 4.663 -12.338 1.00 10.25 C ATOM 1200 C LEU A 77 -13.481 5.011 -12.747 1.00 64.12 C ATOM 1201 O LEU A 77 -14.444 4.543 -12.140 1.00 14.33 O ATOM 1202 CB LEU A 77 -11.725 3.229 -12.756 1.00 72.10 C ATOM 1203 CG LEU A 77 -10.358 2.699 -12.322 1.00 33.23 C ATOM 1204 CD1 LEU A 77 -10.102 1.327 -12.925 1.00 23.40 C ATOM 1205 CD2 LEU A 77 -9.258 3.672 -12.719 1.00 11.24 C ATOM 0 H LEU A 77 -11.530 3.990 -10.421 1.00 72.01 H new ATOM 0 HA LEU A 77 -11.373 5.347 -12.845 1.00 10.25 H new ATOM 0 HB2 LEU A 77 -12.493 2.569 -12.352 1.00 72.10 H new ATOM 0 HB3 LEU A 77 -11.789 3.165 -13.842 1.00 72.10 H new ATOM 0 HG LEU A 77 -10.355 2.602 -11.236 1.00 33.23 H new ATOM 0 HD11 LEU A 77 -9.125 0.966 -12.605 1.00 23.40 H new ATOM 0 HD12 LEU A 77 -10.873 0.633 -12.590 1.00 23.40 H new ATOM 0 HD13 LEU A 77 -10.125 1.398 -14.012 1.00 23.40 H new ATOM 0 HD21 LEU A 77 -8.292 3.278 -12.402 1.00 11.24 H new ATOM 0 HD22 LEU A 77 -9.260 3.801 -13.801 1.00 11.24 H new ATOM 0 HD23 LEU A 77 -9.433 4.635 -12.238 1.00 11.24 H new ATOM 1217 N THR A 78 -13.610 5.834 -13.784 1.00 23.54 N ATOM 1218 CA THR A 78 -14.919 6.243 -14.276 1.00 1.22 C ATOM 1219 C THR A 78 -15.575 5.130 -15.084 1.00 53.14 C ATOM 1220 O THR A 78 -15.012 4.047 -15.239 1.00 45.32 O ATOM 1221 CB THR A 78 -14.820 7.508 -15.150 1.00 71.40 C ATOM 1222 OG1 THR A 78 -16.129 7.937 -15.540 1.00 72.24 O ATOM 1223 CG2 THR A 78 -13.977 7.245 -16.388 1.00 62.55 C ATOM 0 H THR A 78 -12.823 6.230 -14.299 1.00 23.54 H new ATOM 0 HA THR A 78 -15.532 6.462 -13.401 1.00 1.22 H new ATOM 0 HB THR A 78 -14.341 8.292 -14.564 1.00 71.40 H new ATOM 0 HG1 THR A 78 -16.703 7.998 -14.748 1.00 72.24 H new ATOM 0 HG21 THR A 78 -13.921 8.152 -16.990 1.00 62.55 H new ATOM 0 HG22 THR A 78 -12.973 6.947 -16.088 1.00 62.55 H new ATOM 0 HG23 THR A 78 -14.432 6.447 -16.975 1.00 62.55 H new ATOM 1231 N ALA A 79 -16.770 5.404 -15.599 1.00 3.12 N ATOM 1232 CA ALA A 79 -17.501 4.426 -16.394 1.00 55.13 C ATOM 1233 C ALA A 79 -16.771 4.122 -17.698 1.00 53.00 C ATOM 1234 O ALA A 79 -17.106 3.168 -18.400 1.00 22.31 O ATOM 1235 CB ALA A 79 -18.910 4.926 -16.680 1.00 21.30 C ATOM 0 H ALA A 79 -17.251 6.295 -15.479 1.00 3.12 H new ATOM 0 HA ALA A 79 -17.564 3.502 -15.820 1.00 55.13 H new ATOM 0 HB1 ALA A 79 -19.445 4.186 -17.275 1.00 21.30 H new ATOM 0 HB2 ALA A 79 -19.437 5.086 -15.739 1.00 21.30 H new ATOM 0 HB3 ALA A 79 -18.858 5.865 -17.231 1.00 21.30 H new ATOM 1241 N SER A 80 -15.773 4.940 -18.017 1.00 32.14 N ATOM 1242 CA SER A 80 -14.999 4.761 -19.239 1.00 25.30 C ATOM 1243 C SER A 80 -13.635 4.149 -18.933 1.00 45.50 C ATOM 1244 O SER A 80 -12.915 3.729 -19.838 1.00 23.31 O ATOM 1245 CB SER A 80 -14.820 6.100 -19.956 1.00 54.40 C ATOM 1246 OG SER A 80 -14.349 5.912 -21.279 1.00 23.01 O ATOM 0 H SER A 80 -15.482 5.733 -17.446 1.00 32.14 H new ATOM 0 HA SER A 80 -15.547 4.079 -19.890 1.00 25.30 H new ATOM 0 HB2 SER A 80 -15.770 6.634 -19.977 1.00 54.40 H new ATOM 0 HB3 SER A 80 -14.117 6.722 -19.401 1.00 54.40 H new ATOM 0 HG SER A 80 -13.738 5.146 -21.303 1.00 23.01 H new ATOM 1252 N GLU A 81 -13.287 4.105 -17.651 1.00 32.14 N ATOM 1253 CA GLU A 81 -12.009 3.546 -17.225 1.00 14.10 C ATOM 1254 C GLU A 81 -12.160 2.079 -16.835 1.00 32.51 C ATOM 1255 O GLU A 81 -11.547 1.197 -17.438 1.00 51.00 O ATOM 1256 CB GLU A 81 -11.446 4.343 -16.047 1.00 11.15 C ATOM 1257 CG GLU A 81 -10.939 5.723 -16.432 1.00 23.52 C ATOM 1258 CD GLU A 81 -9.436 5.856 -16.277 1.00 32.23 C ATOM 1259 OE1 GLU A 81 -8.700 5.293 -17.114 1.00 35.54 O ATOM 1260 OE2 GLU A 81 -8.996 6.524 -15.318 1.00 14.23 O ATOM 0 H GLU A 81 -13.872 4.449 -16.890 1.00 32.14 H new ATOM 0 HA GLU A 81 -11.315 3.612 -18.063 1.00 14.10 H new ATOM 0 HB2 GLU A 81 -12.221 4.449 -15.288 1.00 11.15 H new ATOM 0 HB3 GLU A 81 -10.631 3.779 -15.594 1.00 11.15 H new ATOM 0 HG2 GLU A 81 -11.214 5.932 -17.466 1.00 23.52 H new ATOM 0 HG3 GLU A 81 -11.432 6.473 -15.814 1.00 23.52 H new ATOM 1267 N THR A 82 -12.981 1.823 -15.821 1.00 1.15 N ATOM 1268 CA THR A 82 -13.212 0.464 -15.348 1.00 2.03 C ATOM 1269 C THR A 82 -13.645 -0.449 -16.489 1.00 42.00 C ATOM 1270 O THR A 82 -13.109 -1.544 -16.660 1.00 22.24 O ATOM 1271 CB THR A 82 -14.284 0.428 -14.242 1.00 4.40 C ATOM 1272 OG1 THR A 82 -14.974 1.682 -14.188 1.00 24.11 O ATOM 1273 CG2 THR A 82 -13.655 0.131 -12.889 1.00 34.21 C ATOM 0 H THR A 82 -13.497 2.540 -15.311 1.00 1.15 H new ATOM 0 HA THR A 82 -12.267 0.107 -14.939 1.00 2.03 H new ATOM 0 HB THR A 82 -14.992 -0.366 -14.478 1.00 4.40 H new ATOM 0 HG1 THR A 82 -15.655 1.651 -13.484 1.00 24.11 H new ATOM 0 HG21 THR A 82 -14.431 0.111 -12.124 1.00 34.21 H new ATOM 0 HG22 THR A 82 -13.155 -0.837 -12.925 1.00 34.21 H new ATOM 0 HG23 THR A 82 -12.928 0.906 -12.648 1.00 34.21 H new ATOM 1281 N LYS A 83 -14.618 0.008 -17.270 1.00 1.33 N ATOM 1282 CA LYS A 83 -15.123 -0.766 -18.397 1.00 64.03 C ATOM 1283 C LYS A 83 -13.978 -1.240 -19.287 1.00 72.52 C ATOM 1284 O LYS A 83 -13.927 -2.406 -19.683 1.00 51.40 O ATOM 1285 CB LYS A 83 -16.107 0.071 -19.217 1.00 72.23 C ATOM 1286 CG LYS A 83 -17.528 0.038 -18.680 1.00 44.04 C ATOM 1287 CD LYS A 83 -18.388 -0.957 -19.440 1.00 72.33 C ATOM 1288 CE LYS A 83 -19.815 -0.976 -18.914 1.00 31.30 C ATOM 1289 NZ LYS A 83 -20.654 0.078 -19.548 1.00 12.12 N ATOM 0 H LYS A 83 -15.073 0.912 -17.143 1.00 1.33 H new ATOM 0 HA LYS A 83 -15.640 -1.641 -18.003 1.00 64.03 H new ATOM 0 HB2 LYS A 83 -15.760 1.104 -19.241 1.00 72.23 H new ATOM 0 HB3 LYS A 83 -16.108 -0.289 -20.246 1.00 72.23 H new ATOM 0 HG2 LYS A 83 -17.512 -0.226 -17.623 1.00 44.04 H new ATOM 0 HG3 LYS A 83 -17.969 1.032 -18.754 1.00 44.04 H new ATOM 0 HD2 LYS A 83 -18.393 -0.701 -20.499 1.00 72.33 H new ATOM 0 HD3 LYS A 83 -17.955 -1.954 -19.355 1.00 72.33 H new ATOM 0 HE2 LYS A 83 -20.258 -1.954 -19.101 1.00 31.30 H new ATOM 0 HE3 LYS A 83 -19.806 -0.832 -17.834 1.00 31.30 H new ATOM 0 HZ1 LYS A 83 -21.619 0.032 -19.163 1.00 12.12 H new ATOM 0 HZ2 LYS A 83 -20.246 1.013 -19.348 1.00 12.12 H new ATOM 0 HZ3 LYS A 83 -20.684 -0.074 -20.576 1.00 12.12 H new ATOM 1303 N THR A 84 -13.060 -0.331 -19.598 1.00 42.10 N ATOM 1304 CA THR A 84 -11.916 -0.656 -20.441 1.00 31.44 C ATOM 1305 C THR A 84 -11.080 -1.773 -19.825 1.00 51.14 C ATOM 1306 O THR A 84 -10.884 -2.824 -20.436 1.00 35.02 O ATOM 1307 CB THR A 84 -11.019 0.574 -20.670 1.00 2.40 C ATOM 1308 OG1 THR A 84 -11.807 1.675 -21.136 1.00 12.43 O ATOM 1309 CG2 THR A 84 -9.924 0.265 -21.680 1.00 1.23 C ATOM 0 H THR A 84 -13.086 0.637 -19.278 1.00 42.10 H new ATOM 0 HA THR A 84 -12.314 -0.989 -21.400 1.00 31.44 H new ATOM 0 HB THR A 84 -10.552 0.837 -19.721 1.00 2.40 H new ATOM 0 HG1 THR A 84 -12.078 2.229 -20.374 1.00 12.43 H new ATOM 0 HG21 THR A 84 -9.303 1.149 -21.825 1.00 1.23 H new ATOM 0 HG22 THR A 84 -9.308 -0.554 -21.309 1.00 1.23 H new ATOM 0 HG23 THR A 84 -10.375 -0.021 -22.630 1.00 1.23 H new ATOM 1317 N PHE A 85 -10.589 -1.539 -18.613 1.00 13.22 N ATOM 1318 CA PHE A 85 -9.774 -2.526 -17.915 1.00 5.43 C ATOM 1319 C PHE A 85 -10.464 -3.886 -17.894 1.00 15.11 C ATOM 1320 O PHE A 85 -9.860 -4.907 -18.225 1.00 33.25 O ATOM 1321 CB PHE A 85 -9.489 -2.063 -16.484 1.00 73.41 C ATOM 1322 CG PHE A 85 -8.312 -2.751 -15.855 1.00 23.13 C ATOM 1323 CD1 PHE A 85 -8.420 -4.051 -15.387 1.00 53.20 C ATOM 1324 CD2 PHE A 85 -7.096 -2.098 -15.731 1.00 61.12 C ATOM 1325 CE1 PHE A 85 -7.338 -4.686 -14.807 1.00 14.52 C ATOM 1326 CE2 PHE A 85 -6.010 -2.728 -15.152 1.00 52.12 C ATOM 1327 CZ PHE A 85 -6.132 -4.024 -14.690 1.00 44.24 C ATOM 0 H PHE A 85 -10.741 -0.674 -18.094 1.00 13.22 H new ATOM 0 HA PHE A 85 -8.831 -2.626 -18.452 1.00 5.43 H new ATOM 0 HB2 PHE A 85 -9.312 -0.987 -16.487 1.00 73.41 H new ATOM 0 HB3 PHE A 85 -10.373 -2.239 -15.871 1.00 73.41 H new ATOM 0 HD1 PHE A 85 -9.361 -4.574 -15.477 1.00 53.20 H new ATOM 0 HD2 PHE A 85 -6.995 -1.085 -16.091 1.00 61.12 H new ATOM 0 HE1 PHE A 85 -7.436 -5.699 -14.446 1.00 14.52 H new ATOM 0 HE2 PHE A 85 -5.068 -2.208 -15.061 1.00 52.12 H new ATOM 0 HZ PHE A 85 -5.285 -4.519 -14.238 1.00 44.24 H new ATOM 1337 N LEU A 86 -11.734 -3.892 -17.503 1.00 0.23 N ATOM 1338 CA LEU A 86 -12.509 -5.126 -17.438 1.00 22.14 C ATOM 1339 C LEU A 86 -12.672 -5.740 -18.824 1.00 74.13 C ATOM 1340 O LEU A 86 -12.642 -6.960 -18.981 1.00 64.22 O ATOM 1341 CB LEU A 86 -13.883 -4.857 -16.821 1.00 63.11 C ATOM 1342 CG LEU A 86 -14.931 -5.953 -17.015 1.00 15.11 C ATOM 1343 CD1 LEU A 86 -14.800 -7.014 -15.934 1.00 35.33 C ATOM 1344 CD2 LEU A 86 -16.332 -5.357 -17.013 1.00 63.11 C ATOM 0 H LEU A 86 -12.249 -3.056 -17.226 1.00 0.23 H new ATOM 0 HA LEU A 86 -11.968 -5.833 -16.809 1.00 22.14 H new ATOM 0 HB2 LEU A 86 -13.753 -4.692 -15.752 1.00 63.11 H new ATOM 0 HB3 LEU A 86 -14.273 -3.930 -17.242 1.00 63.11 H new ATOM 0 HG LEU A 86 -14.760 -6.426 -17.982 1.00 15.11 H new ATOM 0 HD11 LEU A 86 -15.554 -7.786 -16.088 1.00 35.33 H new ATOM 0 HD12 LEU A 86 -13.807 -7.462 -15.982 1.00 35.33 H new ATOM 0 HD13 LEU A 86 -14.945 -6.556 -14.955 1.00 35.33 H new ATOM 0 HD21 LEU A 86 -17.065 -6.151 -17.152 1.00 63.11 H new ATOM 0 HD22 LEU A 86 -16.514 -4.858 -16.061 1.00 63.11 H new ATOM 0 HD23 LEU A 86 -16.421 -4.634 -17.824 1.00 63.11 H new ATOM 1356 N ALA A 87 -12.844 -4.886 -19.828 1.00 14.44 N ATOM 1357 CA ALA A 87 -13.008 -5.344 -21.202 1.00 13.34 C ATOM 1358 C ALA A 87 -11.667 -5.730 -21.815 1.00 42.12 C ATOM 1359 O ALA A 87 -11.599 -6.141 -22.973 1.00 64.11 O ATOM 1360 CB ALA A 87 -13.684 -4.268 -22.039 1.00 71.34 C ATOM 0 H ALA A 87 -12.873 -3.873 -19.715 1.00 14.44 H new ATOM 0 HA ALA A 87 -13.641 -6.231 -21.191 1.00 13.34 H new ATOM 0 HB1 ALA A 87 -13.800 -4.623 -23.063 1.00 71.34 H new ATOM 0 HB2 ALA A 87 -14.664 -4.043 -21.619 1.00 71.34 H new ATOM 0 HB3 ALA A 87 -13.072 -3.366 -22.035 1.00 71.34 H new ATOM 1366 N ALA A 88 -10.602 -5.594 -21.032 1.00 21.02 N ATOM 1367 CA ALA A 88 -9.262 -5.930 -21.498 1.00 75.12 C ATOM 1368 C ALA A 88 -8.710 -7.142 -20.755 1.00 54.02 C ATOM 1369 O ALA A 88 -7.737 -7.758 -21.190 1.00 15.25 O ATOM 1370 CB ALA A 88 -8.331 -4.738 -21.333 1.00 35.10 C ATOM 0 H ALA A 88 -10.641 -5.253 -20.071 1.00 21.02 H new ATOM 0 HA ALA A 88 -9.325 -6.183 -22.556 1.00 75.12 H new ATOM 0 HB1 ALA A 88 -7.334 -5.003 -21.685 1.00 35.10 H new ATOM 0 HB2 ALA A 88 -8.709 -3.898 -21.915 1.00 35.10 H new ATOM 0 HB3 ALA A 88 -8.282 -4.458 -20.281 1.00 35.10 H new ATOM 1376 N ALA A 89 -9.337 -7.478 -19.633 1.00 34.22 N ATOM 1377 CA ALA A 89 -8.909 -8.617 -18.830 1.00 72.23 C ATOM 1378 C ALA A 89 -9.995 -9.687 -18.772 1.00 3.30 C ATOM 1379 O ALA A 89 -9.759 -10.843 -19.118 1.00 62.23 O ATOM 1380 CB ALA A 89 -8.536 -8.164 -17.427 1.00 15.43 C ATOM 0 H ALA A 89 -10.143 -6.978 -19.259 1.00 34.22 H new ATOM 0 HA ALA A 89 -8.030 -9.054 -19.304 1.00 72.23 H new ATOM 0 HB1 ALA A 89 -8.218 -9.025 -16.839 1.00 15.43 H new ATOM 0 HB2 ALA A 89 -7.721 -7.442 -17.482 1.00 15.43 H new ATOM 0 HB3 ALA A 89 -9.401 -7.700 -16.953 1.00 15.43 H new ATOM 1386 N ASP A 90 -11.185 -9.292 -18.331 1.00 3.03 N ATOM 1387 CA ASP A 90 -12.307 -10.218 -18.226 1.00 4.12 C ATOM 1388 C ASP A 90 -12.651 -10.812 -19.588 1.00 51.33 C ATOM 1389 O ASP A 90 -12.387 -11.985 -19.851 1.00 21.51 O ATOM 1390 CB ASP A 90 -13.529 -9.506 -17.643 1.00 73.42 C ATOM 1391 CG ASP A 90 -14.723 -10.429 -17.508 1.00 34.14 C ATOM 1392 OD1 ASP A 90 -14.700 -11.284 -16.492 1.00 32.02 O ATOM 1393 OD2 ASP A 90 -15.658 -10.374 -18.307 1.00 40.34 O ATOM 0 H ASP A 90 -11.397 -8.337 -18.041 1.00 3.03 H new ATOM 0 HA ASP A 90 -12.016 -11.030 -17.559 1.00 4.12 H new ATOM 0 HB2 ASP A 90 -13.276 -9.097 -16.665 1.00 73.42 H new ATOM 0 HB3 ASP A 90 -13.794 -8.663 -18.281 1.00 73.42 H new ATOM 1398 N HIS A 91 -13.242 -9.993 -20.452 1.00 51.55 N ATOM 1399 CA HIS A 91 -13.622 -10.436 -21.789 1.00 61.01 C ATOM 1400 C HIS A 91 -14.600 -11.605 -21.716 1.00 65.13 C ATOM 1401 O HIS A 91 -14.883 -12.253 -22.724 1.00 32.32 O ATOM 1402 CB HIS A 91 -12.382 -10.842 -22.586 1.00 41.13 C ATOM 1403 CG HIS A 91 -12.536 -10.665 -24.065 1.00 54.25 C ATOM 1404 ND1 HIS A 91 -11.465 -10.570 -24.928 1.00 62.21 N ATOM 1405 CD2 HIS A 91 -13.646 -10.567 -24.834 1.00 51.23 C ATOM 1406 CE1 HIS A 91 -11.909 -10.420 -26.163 1.00 44.12 C ATOM 1407 NE2 HIS A 91 -13.229 -10.415 -26.134 1.00 31.12 N ATOM 0 H HIS A 91 -13.468 -9.019 -20.250 1.00 51.55 H new ATOM 0 HA HIS A 91 -14.114 -9.605 -22.295 1.00 61.01 H new ATOM 0 HB2 HIS A 91 -11.531 -10.252 -22.244 1.00 41.13 H new ATOM 0 HB3 HIS A 91 -12.151 -11.886 -22.376 1.00 41.13 H new ATOM 0 HD2 HIS A 91 -14.669 -10.602 -24.489 1.00 51.23 H new ATOM 0 HE1 HIS A 91 -11.296 -10.319 -27.047 1.00 44.12 H new ATOM 0 HE2 HIS A 91 -13.840 -10.315 -26.945 1.00 31.12 H new ATOM 1415 N ASP A 92 -15.110 -11.869 -20.519 1.00 14.13 N ATOM 1416 CA ASP A 92 -16.056 -12.960 -20.314 1.00 55.35 C ATOM 1417 C ASP A 92 -17.473 -12.424 -20.134 1.00 52.41 C ATOM 1418 O ASP A 92 -18.450 -13.148 -20.319 1.00 52.14 O ATOM 1419 CB ASP A 92 -15.653 -13.791 -19.096 1.00 34.33 C ATOM 1420 CG ASP A 92 -14.150 -13.924 -18.957 1.00 64.11 C ATOM 1421 OD1 ASP A 92 -13.490 -14.266 -19.960 1.00 44.24 O ATOM 1422 OD2 ASP A 92 -13.633 -13.687 -17.845 1.00 23.11 O ATOM 0 H ASP A 92 -14.884 -11.342 -19.675 1.00 14.13 H new ATOM 0 HA ASP A 92 -16.037 -13.595 -21.199 1.00 55.35 H new ATOM 0 HB2 ASP A 92 -16.059 -13.330 -18.195 1.00 34.33 H new ATOM 0 HB3 ASP A 92 -16.097 -14.783 -19.174 1.00 34.33 H new ATOM 1427 N GLY A 93 -17.577 -11.149 -19.770 1.00 5.01 N ATOM 1428 CA GLY A 93 -18.877 -10.538 -19.569 1.00 54.11 C ATOM 1429 C GLY A 93 -19.443 -10.819 -18.191 1.00 55.23 C ATOM 1430 O GLY A 93 -20.659 -10.801 -17.997 1.00 10.44 O ATOM 0 H GLY A 93 -16.783 -10.529 -19.611 1.00 5.01 H new ATOM 0 HA2 GLY A 93 -18.795 -9.461 -19.712 1.00 54.11 H new ATOM 0 HA3 GLY A 93 -19.570 -10.908 -20.325 1.00 54.11 H new ATOM 1434 N ASP A 94 -18.561 -11.081 -17.233 1.00 53.13 N ATOM 1435 CA ASP A 94 -18.980 -11.368 -15.866 1.00 41.21 C ATOM 1436 C ASP A 94 -18.831 -10.134 -14.982 1.00 10.31 C ATOM 1437 O ASP A 94 -19.468 -10.027 -13.935 1.00 73.00 O ATOM 1438 CB ASP A 94 -18.160 -12.524 -15.291 1.00 75.22 C ATOM 1439 CG ASP A 94 -17.506 -13.363 -16.371 1.00 71.23 C ATOM 1440 OD1 ASP A 94 -18.167 -13.630 -17.396 1.00 71.53 O ATOM 1441 OD2 ASP A 94 -16.333 -13.753 -16.191 1.00 73.31 O ATOM 0 H ASP A 94 -17.551 -11.101 -17.378 1.00 53.13 H new ATOM 0 HA ASP A 94 -20.032 -11.653 -15.887 1.00 41.21 H new ATOM 0 HB2 ASP A 94 -17.391 -12.126 -14.629 1.00 75.22 H new ATOM 0 HB3 ASP A 94 -18.807 -13.158 -14.684 1.00 75.22 H new ATOM 1446 N GLY A 95 -17.983 -9.203 -15.411 1.00 35.12 N ATOM 1447 CA GLY A 95 -17.765 -7.989 -14.646 1.00 31.42 C ATOM 1448 C GLY A 95 -16.886 -8.219 -13.432 1.00 72.13 C ATOM 1449 O GLY A 95 -16.950 -7.468 -12.459 1.00 31.44 O ATOM 0 H GLY A 95 -17.444 -9.268 -16.274 1.00 35.12 H new ATOM 0 HA2 GLY A 95 -17.305 -7.237 -15.287 1.00 31.42 H new ATOM 0 HA3 GLY A 95 -18.726 -7.588 -14.324 1.00 31.42 H new ATOM 1453 N LYS A 96 -16.063 -9.261 -13.488 1.00 54.15 N ATOM 1454 CA LYS A 96 -15.167 -9.589 -12.386 1.00 34.10 C ATOM 1455 C LYS A 96 -13.862 -10.184 -12.904 1.00 40.14 C ATOM 1456 O LYS A 96 -13.869 -11.158 -13.658 1.00 11.13 O ATOM 1457 CB LYS A 96 -15.843 -10.573 -11.428 1.00 13.52 C ATOM 1458 CG LYS A 96 -16.231 -11.888 -12.080 1.00 74.04 C ATOM 1459 CD LYS A 96 -17.692 -12.224 -11.832 1.00 73.02 C ATOM 1460 CE LYS A 96 -17.855 -13.164 -10.648 1.00 25.24 C ATOM 1461 NZ LYS A 96 -19.211 -13.776 -10.607 1.00 74.41 N ATOM 0 H LYS A 96 -15.998 -9.893 -14.286 1.00 54.15 H new ATOM 0 HA LYS A 96 -14.938 -8.668 -11.850 1.00 34.10 H new ATOM 0 HB2 LYS A 96 -15.171 -10.775 -10.594 1.00 13.52 H new ATOM 0 HB3 LYS A 96 -16.736 -10.106 -11.012 1.00 13.52 H new ATOM 0 HG2 LYS A 96 -16.047 -11.831 -13.153 1.00 74.04 H new ATOM 0 HG3 LYS A 96 -15.602 -12.688 -11.690 1.00 74.04 H new ATOM 0 HD2 LYS A 96 -18.251 -11.307 -11.649 1.00 73.02 H new ATOM 0 HD3 LYS A 96 -18.117 -12.684 -12.724 1.00 73.02 H new ATOM 0 HE2 LYS A 96 -17.103 -13.951 -10.703 1.00 25.24 H new ATOM 0 HE3 LYS A 96 -17.676 -12.617 -9.723 1.00 25.24 H new ATOM 0 HZ1 LYS A 96 -19.281 -14.410 -9.785 1.00 74.41 H new ATOM 0 HZ2 LYS A 96 -19.928 -13.027 -10.528 1.00 74.41 H new ATOM 0 HZ3 LYS A 96 -19.373 -14.320 -11.479 1.00 74.41 H new ATOM 1475 N ILE A 97 -12.744 -9.593 -12.495 1.00 74.13 N ATOM 1476 CA ILE A 97 -11.432 -10.067 -12.917 1.00 20.01 C ATOM 1477 C ILE A 97 -10.948 -11.208 -12.028 1.00 71.05 C ATOM 1478 O ILE A 97 -11.275 -11.268 -10.844 1.00 5.21 O ATOM 1479 CB ILE A 97 -10.389 -8.934 -12.891 1.00 53.24 C ATOM 1480 CG1 ILE A 97 -10.834 -7.781 -13.794 1.00 73.42 C ATOM 1481 CG2 ILE A 97 -9.028 -9.457 -13.323 1.00 63.15 C ATOM 1482 CD1 ILE A 97 -10.972 -8.172 -15.249 1.00 33.20 C ATOM 0 H ILE A 97 -12.721 -8.786 -11.872 1.00 74.13 H new ATOM 0 HA ILE A 97 -11.540 -10.427 -13.940 1.00 20.01 H new ATOM 0 HB ILE A 97 -10.305 -8.560 -11.870 1.00 53.24 H new ATOM 0 HG12 ILE A 97 -11.790 -7.398 -13.437 1.00 73.42 H new ATOM 0 HG13 ILE A 97 -10.114 -6.967 -13.712 1.00 73.42 H new ATOM 0 HG21 ILE A 97 -8.302 -8.645 -13.299 1.00 63.15 H new ATOM 0 HG22 ILE A 97 -8.710 -10.248 -12.644 1.00 63.15 H new ATOM 0 HG23 ILE A 97 -9.096 -9.854 -14.336 1.00 63.15 H new ATOM 0 HD11 ILE A 97 -11.290 -7.306 -15.830 1.00 33.20 H new ATOM 0 HD12 ILE A 97 -10.012 -8.527 -15.623 1.00 33.20 H new ATOM 0 HD13 ILE A 97 -11.714 -8.965 -15.344 1.00 33.20 H new ATOM 1494 N GLY A 98 -10.165 -12.112 -12.609 1.00 72.25 N ATOM 1495 CA GLY A 98 -9.647 -13.239 -11.856 1.00 1.24 C ATOM 1496 C GLY A 98 -8.143 -13.378 -11.982 1.00 22.30 C ATOM 1497 O GLY A 98 -7.491 -12.568 -12.640 1.00 22.21 O ATOM 0 H GLY A 98 -9.880 -12.084 -13.588 1.00 72.25 H new ATOM 0 HA2 GLY A 98 -9.911 -13.122 -10.805 1.00 1.24 H new ATOM 0 HA3 GLY A 98 -10.124 -14.155 -12.205 1.00 1.24 H new ATOM 1501 N ALA A 99 -7.590 -14.408 -11.349 1.00 13.24 N ATOM 1502 CA ALA A 99 -6.154 -14.651 -11.394 1.00 2.44 C ATOM 1503 C ALA A 99 -5.777 -15.490 -12.609 1.00 63.24 C ATOM 1504 O ALA A 99 -4.630 -15.913 -12.751 1.00 42.21 O ATOM 1505 CB ALA A 99 -5.694 -15.334 -10.114 1.00 62.25 C ATOM 0 H ALA A 99 -8.116 -15.087 -10.799 1.00 13.24 H new ATOM 0 HA ALA A 99 -5.650 -13.688 -11.480 1.00 2.44 H new ATOM 0 HB1 ALA A 99 -4.619 -15.510 -10.161 1.00 62.25 H new ATOM 0 HB2 ALA A 99 -5.920 -14.696 -9.260 1.00 62.25 H new ATOM 0 HB3 ALA A 99 -6.213 -16.286 -10.003 1.00 62.25 H new ATOM 1511 N GLU A 100 -6.750 -15.728 -13.483 1.00 62.43 N ATOM 1512 CA GLU A 100 -6.519 -16.519 -14.686 1.00 64.42 C ATOM 1513 C GLU A 100 -6.762 -15.686 -15.941 1.00 2.51 C ATOM 1514 O GLU A 100 -6.446 -16.111 -17.051 1.00 44.44 O ATOM 1515 CB GLU A 100 -7.426 -17.751 -14.696 1.00 20.45 C ATOM 1516 CG GLU A 100 -6.834 -18.949 -13.972 1.00 23.02 C ATOM 1517 CD GLU A 100 -6.941 -18.831 -12.464 1.00 33.11 C ATOM 1518 OE1 GLU A 100 -7.818 -18.078 -11.989 1.00 64.24 O ATOM 1519 OE2 GLU A 100 -6.150 -19.491 -11.759 1.00 2.24 O ATOM 0 H GLU A 100 -7.705 -15.385 -13.381 1.00 62.43 H new ATOM 0 HA GLU A 100 -5.478 -16.843 -14.681 1.00 64.42 H new ATOM 0 HB2 GLU A 100 -8.380 -17.493 -14.235 1.00 20.45 H new ATOM 0 HB3 GLU A 100 -7.636 -18.029 -15.729 1.00 20.45 H new ATOM 0 HG2 GLU A 100 -7.344 -19.855 -14.299 1.00 23.02 H new ATOM 0 HG3 GLU A 100 -5.786 -19.056 -14.251 1.00 23.02 H new ATOM 1526 N GLU A 101 -7.326 -14.497 -15.754 1.00 14.41 N ATOM 1527 CA GLU A 101 -7.613 -13.604 -16.871 1.00 14.14 C ATOM 1528 C GLU A 101 -6.908 -12.263 -16.690 1.00 15.40 C ATOM 1529 O GLU A 101 -6.923 -11.416 -17.583 1.00 54.53 O ATOM 1530 CB GLU A 101 -9.122 -13.386 -17.003 1.00 51.23 C ATOM 1531 CG GLU A 101 -9.796 -12.988 -15.701 1.00 75.30 C ATOM 1532 CD GLU A 101 -11.309 -13.046 -15.786 1.00 54.54 C ATOM 1533 OE1 GLU A 101 -11.845 -14.131 -16.094 1.00 61.10 O ATOM 1534 OE2 GLU A 101 -11.958 -12.006 -15.546 1.00 45.30 O ATOM 0 H GLU A 101 -7.593 -14.130 -14.841 1.00 14.41 H new ATOM 0 HA GLU A 101 -7.239 -14.071 -17.782 1.00 14.14 H new ATOM 0 HB2 GLU A 101 -9.305 -12.612 -17.748 1.00 51.23 H new ATOM 0 HB3 GLU A 101 -9.582 -14.302 -17.375 1.00 51.23 H new ATOM 0 HG2 GLU A 101 -9.455 -13.648 -14.903 1.00 75.30 H new ATOM 0 HG3 GLU A 101 -9.489 -11.977 -15.432 1.00 75.30 H new ATOM 1541 N PHE A 102 -6.292 -12.077 -15.528 1.00 0.35 N ATOM 1542 CA PHE A 102 -5.582 -10.838 -15.228 1.00 34.42 C ATOM 1543 C PHE A 102 -4.260 -10.772 -15.986 1.00 22.41 C ATOM 1544 O PHE A 102 -4.085 -9.943 -16.878 1.00 54.11 O ATOM 1545 CB PHE A 102 -5.327 -10.723 -13.724 1.00 34.14 C ATOM 1546 CG PHE A 102 -4.593 -9.472 -13.334 1.00 54.12 C ATOM 1547 CD1 PHE A 102 -5.273 -8.274 -13.179 1.00 63.24 C ATOM 1548 CD2 PHE A 102 -3.224 -9.493 -13.122 1.00 73.55 C ATOM 1549 CE1 PHE A 102 -4.599 -7.121 -12.822 1.00 74.30 C ATOM 1550 CE2 PHE A 102 -2.546 -8.344 -12.764 1.00 43.24 C ATOM 1551 CZ PHE A 102 -3.234 -7.156 -12.613 1.00 75.40 C ATOM 0 H PHE A 102 -6.270 -12.768 -14.778 1.00 0.35 H new ATOM 0 HA PHE A 102 -6.206 -10.004 -15.548 1.00 34.42 H new ATOM 0 HB2 PHE A 102 -6.281 -10.753 -13.198 1.00 34.14 H new ATOM 0 HB3 PHE A 102 -4.754 -11.589 -13.394 1.00 34.14 H new ATOM 0 HD1 PHE A 102 -6.341 -8.241 -13.339 1.00 63.24 H new ATOM 0 HD2 PHE A 102 -2.680 -10.419 -13.238 1.00 73.55 H new ATOM 0 HE1 PHE A 102 -5.140 -6.193 -12.707 1.00 74.30 H new ATOM 0 HE2 PHE A 102 -1.479 -8.375 -12.602 1.00 43.24 H new ATOM 0 HZ PHE A 102 -2.706 -6.257 -12.332 1.00 75.40 H new ATOM 1561 N GLN A 103 -3.332 -11.652 -15.623 1.00 20.13 N ATOM 1562 CA GLN A 103 -2.025 -11.693 -16.267 1.00 42.24 C ATOM 1563 C GLN A 103 -2.167 -11.736 -17.785 1.00 54.52 C ATOM 1564 O GLN A 103 -1.367 -11.145 -18.510 1.00 23.44 O ATOM 1565 CB GLN A 103 -1.232 -12.908 -15.783 1.00 63.04 C ATOM 1566 CG GLN A 103 -1.909 -14.235 -16.083 1.00 71.43 C ATOM 1567 CD GLN A 103 -1.843 -15.201 -14.916 1.00 52.04 C ATOM 1568 OE1 GLN A 103 -1.453 -16.358 -15.075 1.00 33.25 O ATOM 1569 NE2 GLN A 103 -2.225 -14.729 -13.735 1.00 60.42 N ATOM 0 H GLN A 103 -3.461 -12.346 -14.887 1.00 20.13 H new ATOM 0 HA GLN A 103 -1.486 -10.785 -15.996 1.00 42.24 H new ATOM 0 HB2 GLN A 103 -0.247 -12.898 -16.250 1.00 63.04 H new ATOM 0 HB3 GLN A 103 -1.076 -12.824 -14.708 1.00 63.04 H new ATOM 0 HG2 GLN A 103 -2.952 -14.056 -16.343 1.00 71.43 H new ATOM 0 HG3 GLN A 103 -1.437 -14.690 -16.954 1.00 71.43 H new ATOM 0 HE21 GLN A 103 -2.541 -13.763 -13.650 1.00 60.42 H new ATOM 0 HE22 GLN A 103 -2.202 -15.332 -12.913 1.00 60.42 H new ATOM 1578 N GLU A 104 -3.192 -12.438 -18.259 1.00 22.00 N ATOM 1579 CA GLU A 104 -3.438 -12.558 -19.691 1.00 65.13 C ATOM 1580 C GLU A 104 -3.575 -11.182 -20.337 1.00 35.22 C ATOM 1581 O GLU A 104 -3.263 -11.003 -21.513 1.00 63.15 O ATOM 1582 CB GLU A 104 -4.701 -13.383 -19.947 1.00 41.42 C ATOM 1583 CG GLU A 104 -4.758 -14.673 -19.147 1.00 10.10 C ATOM 1584 CD GLU A 104 -5.742 -15.673 -19.722 1.00 60.02 C ATOM 1585 OE1 GLU A 104 -6.913 -15.296 -19.936 1.00 73.11 O ATOM 1586 OE2 GLU A 104 -5.341 -16.832 -19.958 1.00 54.12 O ATOM 0 H GLU A 104 -3.865 -12.932 -17.672 1.00 22.00 H new ATOM 0 HA GLU A 104 -2.584 -13.067 -20.139 1.00 65.13 H new ATOM 0 HB2 GLU A 104 -5.575 -12.778 -19.707 1.00 41.42 H new ATOM 0 HB3 GLU A 104 -4.760 -13.621 -21.009 1.00 41.42 H new ATOM 0 HG2 GLU A 104 -3.765 -15.122 -19.117 1.00 10.10 H new ATOM 0 HG3 GLU A 104 -5.036 -14.446 -18.118 1.00 10.10 H new ATOM 1593 N MET A 105 -4.046 -10.214 -19.558 1.00 34.14 N ATOM 1594 CA MET A 105 -4.225 -8.854 -20.053 1.00 34.12 C ATOM 1595 C MET A 105 -2.928 -8.060 -19.943 1.00 24.25 C ATOM 1596 O MET A 105 -2.768 -7.020 -20.582 1.00 31.41 O ATOM 1597 CB MET A 105 -5.337 -8.147 -19.275 1.00 20.44 C ATOM 1598 CG MET A 105 -4.848 -7.450 -18.016 1.00 14.25 C ATOM 1599 SD MET A 105 -4.687 -5.666 -18.228 1.00 35.55 S ATOM 1600 CE MET A 105 -6.371 -5.222 -18.647 1.00 71.12 C ATOM 0 H MET A 105 -4.311 -10.346 -18.582 1.00 34.14 H new ATOM 0 HA MET A 105 -4.507 -8.911 -21.104 1.00 34.12 H new ATOM 0 HB2 MET A 105 -5.814 -7.413 -19.925 1.00 20.44 H new ATOM 0 HB3 MET A 105 -6.100 -8.877 -19.004 1.00 20.44 H new ATOM 0 HG2 MET A 105 -5.541 -7.654 -17.200 1.00 14.25 H new ATOM 0 HG3 MET A 105 -3.883 -7.866 -17.726 1.00 14.25 H new ATOM 0 HE1 MET A 105 -6.398 -4.807 -19.654 1.00 71.12 H new ATOM 0 HE2 MET A 105 -7.003 -6.109 -18.603 1.00 71.12 H new ATOM 0 HE3 MET A 105 -6.738 -4.479 -17.939 1.00 71.12 H new ATOM 1610 N VAL A 106 -2.003 -8.557 -19.127 1.00 44.12 N ATOM 1611 CA VAL A 106 -0.718 -7.894 -18.934 1.00 34.10 C ATOM 1612 C VAL A 106 0.250 -8.232 -20.062 1.00 73.01 C ATOM 1613 O VAL A 106 0.455 -7.434 -20.976 1.00 71.02 O ATOM 1614 CB VAL A 106 -0.080 -8.289 -17.589 1.00 1.40 C ATOM 1615 CG1 VAL A 106 1.119 -7.403 -17.287 1.00 10.34 C ATOM 1616 CG2 VAL A 106 -1.107 -8.211 -16.469 1.00 44.12 C ATOM 0 H VAL A 106 -2.119 -9.416 -18.589 1.00 44.12 H new ATOM 0 HA VAL A 106 -0.912 -6.821 -18.935 1.00 34.10 H new ATOM 0 HB VAL A 106 0.268 -9.319 -17.660 1.00 1.40 H new ATOM 0 HG11 VAL A 106 1.557 -7.696 -16.333 1.00 10.34 H new ATOM 0 HG12 VAL A 106 1.862 -7.514 -18.077 1.00 10.34 H new ATOM 0 HG13 VAL A 106 0.798 -6.363 -17.234 1.00 10.34 H new ATOM 0 HG21 VAL A 106 -0.639 -8.493 -15.526 1.00 44.12 H new ATOM 0 HG22 VAL A 106 -1.488 -7.192 -16.395 1.00 44.12 H new ATOM 0 HG23 VAL A 106 -1.931 -8.891 -16.683 1.00 44.12 H new ATOM 1626 N GLN A 107 0.841 -9.420 -19.991 1.00 23.12 N ATOM 1627 CA GLN A 107 1.788 -9.863 -21.007 1.00 24.51 C ATOM 1628 C GLN A 107 1.104 -10.012 -22.362 1.00 13.14 C ATOM 1629 O GLN A 107 1.701 -9.739 -23.403 1.00 34.10 O ATOM 1630 CB GLN A 107 2.425 -11.192 -20.596 1.00 21.13 C ATOM 1631 CG GLN A 107 3.181 -11.123 -19.279 1.00 5.51 C ATOM 1632 CD GLN A 107 2.823 -12.257 -18.339 1.00 61.04 C ATOM 1633 OE1 GLN A 107 1.541 -12.374 -18.013 1.00 11.41 O flip ATOM 1634 NE2 GLN A 107 3.689 -13.021 -17.911 1.00 41.54 N flip ATOM 0 H GLN A 107 0.681 -10.093 -19.241 1.00 23.12 H new ATOM 0 HA GLN A 107 2.567 -9.106 -21.095 1.00 24.51 H new ATOM 0 HB2 GLN A 107 1.646 -11.950 -20.519 1.00 21.13 H new ATOM 0 HB3 GLN A 107 3.108 -11.516 -21.381 1.00 21.13 H new ATOM 0 HG2 GLN A 107 4.252 -11.146 -19.478 1.00 5.51 H new ATOM 0 HG3 GLN A 107 2.968 -10.172 -18.792 1.00 5.51 H new ATOM 0 HE21 GLN A 107 4.663 -12.894 -18.188 1.00 41.54 H new ATOM 0 HE22 GLN A 107 3.433 -13.780 -17.280 1.00 41.54 H new ATOM 1643 N SER A 108 -0.152 -10.446 -22.340 1.00 33.31 N ATOM 1644 CA SER A 108 -0.917 -10.635 -23.567 1.00 32.20 C ATOM 1645 C SER A 108 -0.143 -11.493 -24.563 1.00 44.53 C ATOM 1646 O SER A 108 -0.172 -11.242 -25.767 1.00 5.40 O ATOM 1647 CB SER A 108 -1.255 -9.282 -24.196 1.00 0.03 C ATOM 1648 OG SER A 108 -2.062 -9.443 -25.350 1.00 2.05 O ATOM 0 H SER A 108 -0.661 -10.673 -21.486 1.00 33.31 H new ATOM 0 HA SER A 108 -1.843 -11.151 -23.313 1.00 32.20 H new ATOM 0 HB2 SER A 108 -1.776 -8.659 -23.468 1.00 0.03 H new ATOM 0 HB3 SER A 108 -0.335 -8.761 -24.462 1.00 0.03 H new ATOM 0 HG SER A 108 -1.681 -10.143 -25.920 1.00 2.05 H new