USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 ASN :FLIP amide:sc= 0.251 F(o=-1.6!,f=1.5) USER MOD Set 1.2: A 73 THR OG1 : rot -107:sc= 1.23 USER MOD Single : A 6 TYR OH : rot 58:sc= 0.229 USER MOD Single : A 7 ASN : amide:sc= -0.993 K(o=-0.99,f=-3.1!) USER MOD Single : A 11 MET CE :methyl 145:sc= -1.72 (180deg=-4.99!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= -3.78! (180deg=-3.78!) USER MOD Single : A 64 MET CE :methyl 176:sc= -3.73! (180deg=-3.78!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 98:sc= 0.585 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 175:sc= 1.19 USER MOD Single : A 81 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 82 SER OG : rot 63:sc= 1.23 USER MOD Single : A 85 GLN : amide:sc= -0.379! C(o=-0.38!,f=-6.7!) USER MOD Single : A 87 SER OG : rot 76:sc= 1.11 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 92 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.65) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -3.31! C(o=-3.3!,f=-7.5!) USER MOD Single : A 102 SER OG : rot 170:sc= -0.258 USER MOD Single : A 108 MET CE :methyl -179:sc= -2.45 (180deg=-2.46) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 30:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -104:sc= 1.15 (180deg=-0.805) USER MOD Single : A 124 SER OG : rot -35:sc= 0.402 USER MOD Single : A 125 GLN :FLIP amide:sc= 0.722 F(o=-2.9!,f=0.72) USER MOD Single : A 128 CYS SG : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= -0.641 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 3 4.931 -14.244 6.867 1.00 0.00 N ATOM 23 CA ILE A 3 4.326 -12.966 6.520 1.00 0.00 C ATOM 24 C ILE A 3 3.744 -12.279 7.760 1.00 0.00 C ATOM 25 O ILE A 3 3.745 -11.053 7.849 1.00 0.00 O ATOM 26 CB ILE A 3 3.220 -13.153 5.443 1.00 0.00 C ATOM 27 CG1 ILE A 3 3.818 -13.778 4.167 1.00 0.00 C ATOM 28 CG2 ILE A 3 2.530 -11.827 5.122 1.00 0.00 C ATOM 29 CD1 ILE A 3 4.942 -12.966 3.547 1.00 0.00 C ATOM 0 HA ILE A 3 5.109 -12.329 6.109 1.00 0.00 H new ATOM 0 HB ILE A 3 2.466 -13.830 5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.192 -14.774 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.025 -13.902 3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.762 -11.990 4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.070 -11.428 6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.265 -11.116 4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.308 -13.473 2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.570 -11.978 3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.756 -12.863 4.265 1.00 0.00 H new ATOM 41 N ARG A 4 3.272 -13.075 8.722 1.00 0.00 N ATOM 42 CA ARG A 4 2.657 -12.536 9.942 1.00 0.00 C ATOM 43 C ARG A 4 3.604 -11.586 10.678 1.00 0.00 C ATOM 44 O ARG A 4 3.223 -10.467 11.028 1.00 0.00 O ATOM 45 CB ARG A 4 2.229 -13.668 10.885 1.00 0.00 C ATOM 46 CG ARG A 4 1.054 -14.488 10.371 1.00 0.00 C ATOM 47 CD ARG A 4 0.592 -15.513 11.397 1.00 0.00 C ATOM 48 NE ARG A 4 -0.608 -16.220 10.954 1.00 0.00 N ATOM 49 CZ ARG A 4 -1.686 -16.423 11.715 1.00 0.00 C ATOM 50 NH1 ARG A 4 -1.731 -15.948 12.956 1.00 0.00 N ATOM 51 NH2 ARG A 4 -2.723 -17.089 11.227 1.00 0.00 N ATOM 0 H ARG A 4 3.303 -14.094 8.682 1.00 0.00 H new ATOM 0 HA ARG A 4 1.775 -11.974 9.634 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.078 -14.331 11.049 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.966 -13.241 11.853 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.227 -13.823 10.123 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.340 -14.997 9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.391 -16.232 11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.391 -15.014 12.345 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.623 -16.582 10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.939 -15.425 13.331 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.557 -16.106 13.533 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.696 -17.445 10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.547 -17.245 11.807 1.00 0.00 H new ATOM 65 N ASP A 5 4.834 -12.046 10.910 1.00 0.00 N ATOM 66 CA ASP A 5 5.847 -11.243 11.597 1.00 0.00 C ATOM 67 C ASP A 5 6.047 -9.916 10.878 1.00 0.00 C ATOM 68 O ASP A 5 6.024 -8.852 11.500 1.00 0.00 O ATOM 69 CB ASP A 5 7.174 -12.009 11.676 1.00 0.00 C ATOM 70 CG ASP A 5 7.089 -13.231 12.576 1.00 0.00 C ATOM 71 OD1 ASP A 5 6.357 -14.183 12.229 1.00 0.00 O ATOM 72 OD2 ASP A 5 7.748 -13.244 13.640 1.00 0.00 O ATOM 0 H ASP A 5 5.154 -12.974 10.631 1.00 0.00 H new ATOM 0 HA ASP A 5 5.500 -11.042 12.611 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.470 -12.320 10.674 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.953 -11.343 12.047 1.00 0.00 H new ATOM 77 N TYR A 6 6.225 -9.992 9.561 1.00 0.00 N ATOM 78 CA TYR A 6 6.351 -8.800 8.725 1.00 0.00 C ATOM 79 C TYR A 6 5.152 -7.879 8.937 1.00 0.00 C ATOM 80 O TYR A 6 5.313 -6.677 9.162 1.00 0.00 O ATOM 81 CB TYR A 6 6.490 -9.207 7.239 1.00 0.00 C ATOM 82 CG TYR A 6 5.706 -8.339 6.260 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.129 -7.054 5.928 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.535 -8.812 5.673 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.408 -6.273 5.045 1.00 0.00 C ATOM 86 CE2 TYR A 6 3.812 -8.036 4.791 1.00 0.00 C ATOM 87 CZ TYR A 6 4.250 -6.769 4.479 1.00 0.00 C ATOM 88 OH TYR A 6 3.535 -6.002 3.589 1.00 0.00 O ATOM 0 H TYR A 6 6.285 -10.871 9.048 1.00 0.00 H new ATOM 0 HA TYR A 6 7.249 -8.254 9.012 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.545 -9.176 6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.163 -10.241 7.128 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.034 -6.662 6.367 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.186 -9.806 5.913 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.749 -5.278 4.798 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.906 -8.421 4.347 1.00 0.00 H new ATOM 0 HH TYR A 6 4.108 -5.761 2.831 1.00 0.00 H new ATOM 98 N ASN A 7 3.955 -8.466 8.893 1.00 0.00 N ATOM 99 CA ASN A 7 2.718 -7.715 9.073 1.00 0.00 C ATOM 100 C ASN A 7 2.781 -6.913 10.364 1.00 0.00 C ATOM 101 O ASN A 7 3.042 -5.711 10.344 1.00 0.00 O ATOM 102 CB ASN A 7 1.487 -8.644 9.093 1.00 0.00 C ATOM 103 CG ASN A 7 1.174 -9.257 7.737 1.00 0.00 C ATOM 104 OD1 ASN A 7 1.432 -8.658 6.696 1.00 0.00 O ATOM 105 ND2 ASN A 7 0.594 -10.450 7.741 1.00 0.00 N ATOM 0 H ASN A 7 3.819 -9.464 8.733 1.00 0.00 H new ATOM 0 HA ASN A 7 2.613 -7.038 8.226 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.655 -9.443 9.815 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.620 -8.080 9.438 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.347 -10.900 6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.395 -10.917 8.626 1.00 0.00 H new ATOM 112 N ASP A 8 2.604 -7.596 11.487 1.00 0.00 N ATOM 113 CA ASP A 8 2.572 -6.936 12.787 1.00 0.00 C ATOM 114 C ASP A 8 3.817 -6.079 12.991 1.00 0.00 C ATOM 115 O ASP A 8 3.738 -4.843 13.055 1.00 0.00 O ATOM 116 CB ASP A 8 2.463 -7.973 13.911 1.00 0.00 C ATOM 117 CG ASP A 8 1.111 -8.670 13.939 1.00 0.00 C ATOM 118 OD1 ASP A 8 0.847 -9.516 13.061 1.00 0.00 O ATOM 119 OD2 ASP A 8 0.298 -8.372 14.842 1.00 0.00 O ATOM 0 H ASP A 8 2.480 -8.608 11.525 1.00 0.00 H new ATOM 0 HA ASP A 8 1.696 -6.288 12.815 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.249 -8.718 13.789 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.634 -7.483 14.869 1.00 0.00 H new ATOM 124 N ALA A 9 4.968 -6.740 13.035 1.00 0.00 N ATOM 125 CA ALA A 9 6.218 -6.091 13.394 1.00 0.00 C ATOM 126 C ALA A 9 6.633 -5.047 12.361 1.00 0.00 C ATOM 127 O ALA A 9 6.712 -3.861 12.678 1.00 0.00 O ATOM 128 CB ALA A 9 7.322 -7.125 13.586 1.00 0.00 C ATOM 0 H ALA A 9 5.059 -7.734 12.824 1.00 0.00 H new ATOM 0 HA ALA A 9 6.057 -5.570 14.338 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.250 -6.621 13.854 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.040 -7.814 14.382 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.466 -7.680 12.659 1.00 0.00 H new ATOM 134 N ASP A 10 6.861 -5.471 11.118 1.00 0.00 N ATOM 135 CA ASP A 10 7.492 -4.595 10.131 1.00 0.00 C ATOM 136 C ASP A 10 6.535 -3.529 9.613 1.00 0.00 C ATOM 137 O ASP A 10 6.971 -2.425 9.277 1.00 0.00 O ATOM 138 CB ASP A 10 8.110 -5.396 8.975 1.00 0.00 C ATOM 139 CG ASP A 10 9.410 -6.078 9.387 1.00 0.00 C ATOM 140 OD1 ASP A 10 10.439 -5.372 9.529 1.00 0.00 O ATOM 141 OD2 ASP A 10 9.408 -7.309 9.589 1.00 0.00 O ATOM 0 H ASP A 10 6.622 -6.401 10.774 1.00 0.00 H new ATOM 0 HA ASP A 10 8.301 -4.077 10.646 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.398 -6.147 8.633 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.300 -4.730 8.133 1.00 0.00 H new ATOM 146 N MET A 11 5.232 -3.821 9.559 1.00 0.00 N ATOM 147 CA MET A 11 4.278 -2.787 9.171 1.00 0.00 C ATOM 148 C MET A 11 4.158 -1.767 10.297 1.00 0.00 C ATOM 149 O MET A 11 4.053 -0.573 10.040 1.00 0.00 O ATOM 150 CB MET A 11 2.905 -3.365 8.805 1.00 0.00 C ATOM 151 CG MET A 11 2.904 -4.282 7.578 1.00 0.00 C ATOM 152 SD MET A 11 2.926 -3.396 5.995 1.00 0.00 S ATOM 153 CE MET A 11 4.638 -2.880 5.851 1.00 0.00 C ATOM 0 H MET A 11 4.827 -4.733 9.771 1.00 0.00 H new ATOM 0 HA MET A 11 4.654 -2.299 8.272 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.521 -3.923 9.659 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.215 -2.541 8.626 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.773 -4.939 7.627 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.020 -4.919 7.614 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.941 -2.912 4.804 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.745 -1.863 6.229 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.270 -3.551 6.432 1.00 0.00 H new ATOM 163 N ALA A 12 4.201 -2.233 11.550 1.00 0.00 N ATOM 164 CA ALA A 12 4.230 -1.310 12.685 1.00 0.00 C ATOM 165 C ALA A 12 5.465 -0.409 12.601 1.00 0.00 C ATOM 166 O ALA A 12 5.366 0.814 12.719 1.00 0.00 O ATOM 167 CB ALA A 12 4.213 -2.071 14.004 1.00 0.00 C ATOM 0 H ALA A 12 4.216 -3.222 11.799 1.00 0.00 H new ATOM 0 HA ALA A 12 3.337 -0.686 12.644 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.235 -1.363 14.833 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.306 -2.673 14.065 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.085 -2.722 14.060 1.00 0.00 H new ATOM 173 N ARG A 13 6.621 -1.033 12.363 1.00 0.00 N ATOM 174 CA ARG A 13 7.900 -0.322 12.269 1.00 0.00 C ATOM 175 C ARG A 13 7.869 0.726 11.157 1.00 0.00 C ATOM 176 O ARG A 13 8.310 1.861 11.348 1.00 0.00 O ATOM 177 CB ARG A 13 9.045 -1.313 12.001 1.00 0.00 C ATOM 178 CG ARG A 13 9.246 -2.356 13.098 1.00 0.00 C ATOM 179 CD ARG A 13 10.215 -3.453 12.660 1.00 0.00 C ATOM 180 NE ARG A 13 10.320 -4.524 13.652 1.00 0.00 N ATOM 181 CZ ARG A 13 10.596 -5.799 13.359 1.00 0.00 C ATOM 182 NH1 ARG A 13 10.768 -6.179 12.097 1.00 0.00 N ATOM 183 NH2 ARG A 13 10.675 -6.699 14.330 1.00 0.00 N ATOM 0 H ARG A 13 6.698 -2.041 12.230 1.00 0.00 H new ATOM 0 HA ARG A 13 8.068 0.182 13.221 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.852 -1.827 11.059 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.972 -0.753 11.875 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.627 -1.871 13.997 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.286 -2.801 13.358 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.883 -3.871 11.710 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.200 -3.019 12.490 1.00 0.00 H new ATOM 0 HE ARG A 13 10.173 -4.282 14.632 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.690 -5.496 11.344 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.978 -7.154 11.882 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.525 -6.418 15.299 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.885 -7.672 14.108 1.00 0.00 H new ATOM 197 N LEU A 14 7.346 0.336 9.997 1.00 0.00 N ATOM 198 CA LEU A 14 7.321 1.212 8.831 1.00 0.00 C ATOM 199 C LEU A 14 6.318 2.344 9.024 1.00 0.00 C ATOM 200 O LEU A 14 6.667 3.517 8.906 1.00 0.00 O ATOM 201 CB LEU A 14 6.973 0.404 7.569 1.00 0.00 C ATOM 202 CG LEU A 14 6.933 1.208 6.255 1.00 0.00 C ATOM 203 CD1 LEU A 14 8.302 1.816 5.947 1.00 0.00 C ATOM 204 CD2 LEU A 14 6.455 0.328 5.101 1.00 0.00 C ATOM 0 H LEU A 14 6.933 -0.583 9.840 1.00 0.00 H new ATOM 0 HA LEU A 14 8.312 1.650 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.702 -0.399 7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.001 -0.066 7.717 1.00 0.00 H new ATOM 0 HG LEU A 14 6.223 2.026 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.249 2.379 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.594 2.483 6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.040 1.020 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.433 0.913 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.136 -0.514 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.454 -0.044 5.318 1.00 0.00 H new ATOM 216 N LEU A 15 5.081 1.989 9.353 1.00 0.00 N ATOM 217 CA LEU A 15 4.011 2.975 9.491 1.00 0.00 C ATOM 218 C LEU A 15 4.235 3.863 10.713 1.00 0.00 C ATOM 219 O LEU A 15 3.669 4.954 10.802 1.00 0.00 O ATOM 220 CB LEU A 15 2.631 2.292 9.551 1.00 0.00 C ATOM 221 CG LEU A 15 2.072 1.802 8.196 1.00 0.00 C ATOM 222 CD1 LEU A 15 1.940 2.963 7.213 1.00 0.00 C ATOM 223 CD2 LEU A 15 2.943 0.698 7.596 1.00 0.00 C ATOM 0 H LEU A 15 4.793 1.027 9.529 1.00 0.00 H new ATOM 0 HA LEU A 15 4.031 3.612 8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.696 1.440 10.227 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.918 2.991 9.987 1.00 0.00 H new ATOM 0 HG LEU A 15 1.082 1.386 8.383 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.545 2.595 6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.262 3.711 7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.919 3.413 7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.520 0.378 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.952 1.078 7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.979 -0.150 8.280 1.00 0.00 H new ATOM 235 N GLU A 16 5.077 3.397 11.636 1.00 0.00 N ATOM 236 CA GLU A 16 5.458 4.179 12.813 1.00 0.00 C ATOM 237 C GLU A 16 5.878 5.595 12.412 1.00 0.00 C ATOM 238 O GLU A 16 5.390 6.588 12.970 1.00 0.00 O ATOM 239 CB GLU A 16 6.619 3.485 13.548 1.00 0.00 C ATOM 240 CG GLU A 16 7.066 4.189 14.830 1.00 0.00 C ATOM 241 CD GLU A 16 6.143 3.942 16.018 1.00 0.00 C ATOM 242 OE1 GLU A 16 4.912 3.925 15.840 1.00 0.00 O ATOM 243 OE2 GLU A 16 6.650 3.766 17.147 1.00 0.00 O ATOM 0 H GLU A 16 5.511 2.475 11.590 1.00 0.00 H new ATOM 0 HA GLU A 16 4.594 4.246 13.475 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.320 2.466 13.793 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.471 3.414 12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.071 3.854 15.086 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.125 5.261 14.644 1.00 0.00 H new ATOM 250 N GLN A 17 6.773 5.686 11.425 1.00 0.00 N ATOM 251 CA GLN A 17 7.297 6.979 10.989 1.00 0.00 C ATOM 252 C GLN A 17 6.196 7.812 10.342 1.00 0.00 C ATOM 253 O GLN A 17 6.173 9.026 10.500 1.00 0.00 O ATOM 254 CB GLN A 17 8.470 6.821 10.006 1.00 0.00 C ATOM 255 CG GLN A 17 8.071 6.268 8.640 1.00 0.00 C ATOM 256 CD GLN A 17 9.052 6.637 7.543 1.00 0.00 C ATOM 257 OE1 GLN A 17 10.006 5.912 7.270 1.00 0.00 O ATOM 258 NE2 GLN A 17 8.830 7.784 6.910 1.00 0.00 N ATOM 0 H GLN A 17 7.147 4.884 10.917 1.00 0.00 H new ATOM 0 HA GLN A 17 7.667 7.491 11.877 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.947 7.791 9.868 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.215 6.160 10.450 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.994 5.182 8.702 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.082 6.643 8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.027 8.360 7.164 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.462 8.089 6.170 1.00 0.00 H new ATOM 267 N TRP A 18 5.282 7.151 9.630 1.00 0.00 N ATOM 268 CA TRP A 18 4.206 7.842 8.917 1.00 0.00 C ATOM 269 C TRP A 18 3.245 8.492 9.905 1.00 0.00 C ATOM 270 O TRP A 18 2.806 9.634 9.713 1.00 0.00 O ATOM 271 CB TRP A 18 3.455 6.865 8.000 1.00 0.00 C ATOM 272 CG TRP A 18 4.307 6.326 6.889 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.207 5.304 6.967 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.342 6.788 5.536 1.00 0.00 C ATOM 275 NE1 TRP A 18 5.806 5.109 5.748 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.291 6.003 4.853 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.667 7.789 4.837 1.00 0.00 C ATOM 278 CZ2 TRP A 18 5.579 6.191 3.506 1.00 0.00 C ATOM 279 CZ3 TRP A 18 3.953 7.972 3.499 1.00 0.00 C ATOM 280 CH2 TRP A 18 4.902 7.175 2.846 1.00 0.00 C ATOM 0 H TRP A 18 5.265 6.136 9.532 1.00 0.00 H new ATOM 0 HA TRP A 18 4.647 8.624 8.299 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.078 6.034 8.596 1.00 0.00 H new ATOM 0 HB3 TRP A 18 2.589 7.370 7.573 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.417 4.732 7.858 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.520 4.410 5.543 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.935 8.409 5.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.312 5.580 3.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.436 8.743 2.946 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.102 7.343 1.798 1.00 0.00 H new ATOM 291 N GLU A 19 2.927 7.757 10.969 1.00 0.00 N ATOM 292 CA GLU A 19 2.128 8.298 12.056 1.00 0.00 C ATOM 293 C GLU A 19 2.846 9.507 12.637 1.00 0.00 C ATOM 294 O GLU A 19 2.265 10.584 12.799 1.00 0.00 O ATOM 295 CB GLU A 19 1.918 7.246 13.155 1.00 0.00 C ATOM 296 CG GLU A 19 1.210 5.981 12.689 1.00 0.00 C ATOM 297 CD GLU A 19 0.968 5.004 13.829 1.00 0.00 C ATOM 298 OE1 GLU A 19 1.917 4.295 14.225 1.00 0.00 O ATOM 299 OE2 GLU A 19 -0.168 4.962 14.352 1.00 0.00 O ATOM 0 H GLU A 19 3.212 6.786 11.097 1.00 0.00 H new ATOM 0 HA GLU A 19 1.151 8.588 11.670 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.888 6.973 13.569 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.341 7.694 13.964 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.257 6.248 12.233 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.808 5.495 11.918 1.00 0.00 H new ATOM 306 N LYS A 20 4.131 9.314 12.915 1.00 0.00 N ATOM 307 CA LYS A 20 4.967 10.364 13.471 1.00 0.00 C ATOM 308 C LYS A 20 4.974 11.590 12.556 1.00 0.00 C ATOM 309 O LYS A 20 4.796 12.707 13.025 1.00 0.00 O ATOM 310 CB LYS A 20 6.396 9.848 13.687 1.00 0.00 C ATOM 311 CG LYS A 20 7.317 10.853 14.367 1.00 0.00 C ATOM 312 CD LYS A 20 8.726 10.298 14.553 1.00 0.00 C ATOM 313 CE LYS A 20 9.636 11.301 15.251 1.00 0.00 C ATOM 314 NZ LYS A 20 11.019 10.780 15.417 1.00 0.00 N ATOM 0 H LYS A 20 4.617 8.430 12.761 1.00 0.00 H new ATOM 0 HA LYS A 20 4.553 10.660 14.435 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.357 8.940 14.289 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.823 9.573 12.722 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.362 11.765 13.772 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.903 11.126 15.338 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.681 9.379 15.137 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.147 10.039 13.582 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.664 12.226 14.675 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.222 11.547 16.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.604 11.494 15.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.996 9.911 15.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.425 10.570 14.483 1.00 0.00 H new ATOM 328 N ASP A 21 5.141 11.364 11.251 1.00 0.00 N ATOM 329 CA ASP A 21 5.217 12.450 10.268 1.00 0.00 C ATOM 330 C ASP A 21 3.961 13.307 10.310 1.00 0.00 C ATOM 331 O ASP A 21 4.030 14.526 10.478 1.00 0.00 O ATOM 332 CB ASP A 21 5.420 11.897 8.840 1.00 0.00 C ATOM 333 CG ASP A 21 6.863 11.479 8.574 1.00 0.00 C ATOM 334 OD1 ASP A 21 7.775 12.297 8.822 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.096 10.339 8.113 1.00 0.00 O ATOM 0 H ASP A 21 5.227 10.431 10.847 1.00 0.00 H new ATOM 0 HA ASP A 21 6.077 13.067 10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.763 11.040 8.689 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.126 12.656 8.115 1.00 0.00 H new ATOM 340 N ASP A 22 2.814 12.655 10.171 1.00 0.00 N ATOM 341 CA ASP A 22 1.528 13.351 10.171 1.00 0.00 C ATOM 342 C ASP A 22 1.334 14.129 11.477 1.00 0.00 C ATOM 343 O ASP A 22 0.845 15.265 11.475 1.00 0.00 O ATOM 344 CB ASP A 22 0.395 12.339 9.950 1.00 0.00 C ATOM 345 CG ASP A 22 -0.993 12.957 9.998 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.351 13.708 9.069 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.748 12.671 10.948 1.00 0.00 O ATOM 0 H ASP A 22 2.745 11.644 10.056 1.00 0.00 H new ATOM 0 HA ASP A 22 1.511 14.074 9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.535 11.856 8.983 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.463 11.559 10.709 1.00 0.00 H new ATOM 352 N ASP A 23 1.755 13.529 12.591 1.00 0.00 N ATOM 353 CA ASP A 23 1.664 14.186 13.897 1.00 0.00 C ATOM 354 C ASP A 23 2.695 15.316 14.032 1.00 0.00 C ATOM 355 O ASP A 23 2.443 16.311 14.718 1.00 0.00 O ATOM 356 CB ASP A 23 1.818 13.168 15.039 1.00 0.00 C ATOM 357 CG ASP A 23 0.528 12.402 15.315 1.00 0.00 C ATOM 358 OD1 ASP A 23 -0.308 12.902 16.099 1.00 0.00 O ATOM 359 OD2 ASP A 23 0.337 11.302 14.753 1.00 0.00 O ATOM 0 H ASP A 23 2.161 12.593 12.616 1.00 0.00 H new ATOM 0 HA ASP A 23 0.672 14.632 13.970 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.610 12.462 14.788 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.130 13.687 15.945 1.00 0.00 H new ATOM 364 N ILE A 24 3.845 15.175 13.369 1.00 0.00 N ATOM 365 CA ILE A 24 4.855 16.236 13.358 1.00 0.00 C ATOM 366 C ILE A 24 4.298 17.459 12.639 1.00 0.00 C ATOM 367 O ILE A 24 4.543 18.600 13.038 1.00 0.00 O ATOM 368 CB ILE A 24 6.180 15.791 12.666 1.00 0.00 C ATOM 369 CG1 ILE A 24 6.907 14.730 13.510 1.00 0.00 C ATOM 370 CG2 ILE A 24 7.099 16.992 12.415 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.174 14.203 12.866 1.00 0.00 C ATOM 0 H ILE A 24 4.099 14.343 12.836 1.00 0.00 H new ATOM 0 HA ILE A 24 5.090 16.473 14.396 1.00 0.00 H new ATOM 0 HB ILE A 24 5.921 15.350 11.703 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.155 15.158 14.481 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.229 13.896 13.693 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.016 16.654 11.932 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.592 17.710 11.770 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.344 17.468 13.365 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.632 13.459 13.518 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.931 13.744 11.907 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.871 15.026 12.708 1.00 0.00 H new ATOM 383 N GLU A 25 3.534 17.206 11.581 1.00 0.00 N ATOM 384 CA GLU A 25 2.894 18.268 10.815 1.00 0.00 C ATOM 385 C GLU A 25 1.715 18.852 11.590 1.00 0.00 C ATOM 386 O GLU A 25 1.334 20.004 11.389 1.00 0.00 O ATOM 387 CB GLU A 25 2.449 17.737 9.455 1.00 0.00 C ATOM 388 CG GLU A 25 3.594 17.154 8.636 1.00 0.00 C ATOM 389 CD GLU A 25 4.744 18.136 8.455 1.00 0.00 C ATOM 390 OE1 GLU A 25 4.654 19.017 7.573 1.00 0.00 O ATOM 391 OE2 GLU A 25 5.741 18.045 9.207 1.00 0.00 O ATOM 0 H GLU A 25 3.343 16.266 11.233 1.00 0.00 H new ATOM 0 HA GLU A 25 3.615 19.069 10.651 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.689 16.970 9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.982 18.545 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.964 16.253 9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.220 16.854 7.657 1.00 0.00 H new ATOM 398 N GLU A 26 1.130 18.035 12.462 1.00 0.00 N ATOM 399 CA GLU A 26 0.197 18.536 13.480 1.00 0.00 C ATOM 400 C GLU A 26 0.913 19.508 14.422 1.00 0.00 C ATOM 401 O GLU A 26 0.278 20.289 15.135 1.00 0.00 O ATOM 402 CB GLU A 26 -0.410 17.373 14.280 1.00 0.00 C ATOM 403 CG GLU A 26 -1.626 16.730 13.624 1.00 0.00 C ATOM 404 CD GLU A 26 -2.879 17.582 13.769 1.00 0.00 C ATOM 405 OE1 GLU A 26 -3.004 18.604 13.063 1.00 0.00 O ATOM 406 OE2 GLU A 26 -3.739 17.243 14.612 1.00 0.00 O ATOM 0 H GLU A 26 1.281 17.027 12.488 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.611 19.065 12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.355 16.610 14.428 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.694 17.736 15.268 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.421 16.566 12.566 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.801 15.751 14.070 1.00 0.00 H new ATOM 413 N GLY A 27 2.241 19.452 14.403 1.00 0.00 N ATOM 414 CA GLY A 27 3.061 20.343 15.206 1.00 0.00 C ATOM 415 C GLY A 27 3.398 19.766 16.565 1.00 0.00 C ATOM 416 O GLY A 27 3.947 20.457 17.423 1.00 0.00 O ATOM 0 H GLY A 27 2.772 18.792 13.835 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.985 20.561 14.670 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.538 21.290 15.338 1.00 0.00 H new ATOM 420 N ASP A 28 3.089 18.490 16.760 1.00 0.00 N ATOM 421 CA ASP A 28 3.385 17.805 18.014 1.00 0.00 C ATOM 422 C ASP A 28 4.308 16.630 17.757 1.00 0.00 C ATOM 423 O ASP A 28 4.007 15.767 16.934 1.00 0.00 O ATOM 424 CB ASP A 28 2.096 17.316 18.698 1.00 0.00 C ATOM 425 CG ASP A 28 1.302 18.445 19.334 1.00 0.00 C ATOM 426 OD1 ASP A 28 1.604 18.809 20.491 1.00 0.00 O ATOM 427 OD2 ASP A 28 0.369 18.969 18.688 1.00 0.00 O ATOM 0 H ASP A 28 2.631 17.905 16.062 1.00 0.00 H new ATOM 0 HA ASP A 28 3.876 18.515 18.679 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.471 16.807 17.964 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.352 16.582 19.462 1.00 0.00 H new ATOM 432 N LEU A 29 5.436 16.604 18.456 1.00 0.00 N ATOM 433 CA LEU A 29 6.394 15.515 18.329 1.00 0.00 C ATOM 434 C LEU A 29 5.960 14.358 19.226 1.00 0.00 C ATOM 435 O LEU A 29 6.066 14.446 20.453 1.00 0.00 O ATOM 436 CB LEU A 29 7.814 15.985 18.708 1.00 0.00 C ATOM 437 CG LEU A 29 8.470 17.013 17.761 1.00 0.00 C ATOM 438 CD1 LEU A 29 8.538 16.476 16.334 1.00 0.00 C ATOM 439 CD2 LEU A 29 7.737 18.354 17.803 1.00 0.00 C ATOM 0 H LEU A 29 5.710 17.329 19.119 1.00 0.00 H new ATOM 0 HA LEU A 29 6.419 15.183 17.291 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.776 16.417 19.708 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.461 15.109 18.763 1.00 0.00 H new ATOM 0 HG LEU A 29 9.489 17.180 18.110 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.004 17.219 15.687 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.128 15.560 16.318 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.530 16.265 15.976 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.223 19.056 17.126 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.701 18.212 17.496 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.763 18.752 18.818 1.00 0.00 H new ATOM 451 N LEU A 62 -5.023 8.128 3.682 1.00 0.00 N ATOM 452 CA LEU A 62 -5.206 6.828 3.035 1.00 0.00 C ATOM 453 C LEU A 62 -3.882 6.146 2.659 1.00 0.00 C ATOM 454 O LEU A 62 -3.059 6.685 1.910 1.00 0.00 O ATOM 455 CB LEU A 62 -6.089 7.001 1.781 1.00 0.00 C ATOM 456 CG LEU A 62 -7.085 5.858 1.496 1.00 0.00 C ATOM 457 CD1 LEU A 62 -6.381 4.511 1.400 1.00 0.00 C ATOM 458 CD2 LEU A 62 -8.181 5.817 2.559 1.00 0.00 C ATOM 0 HA LEU A 62 -5.694 6.174 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.651 7.930 1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.438 7.114 0.914 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.547 6.059 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.115 3.731 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.650 4.539 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.874 4.298 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.872 5.003 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.732 5.655 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.723 6.763 2.560 1.00 0.00 H new ATOM 470 N MET A 63 -3.699 4.944 3.202 1.00 0.00 N ATOM 471 CA MET A 63 -2.642 4.026 2.783 1.00 0.00 C ATOM 472 C MET A 63 -3.199 2.603 2.821 1.00 0.00 C ATOM 473 O MET A 63 -3.869 2.224 3.786 1.00 0.00 O ATOM 474 CB MET A 63 -1.397 4.149 3.680 1.00 0.00 C ATOM 475 CG MET A 63 -0.731 5.520 3.608 1.00 0.00 C ATOM 476 SD MET A 63 0.695 5.684 4.700 1.00 0.00 S ATOM 477 CE MET A 63 -0.101 5.615 6.302 1.00 0.00 C ATOM 0 H MET A 63 -4.285 4.577 3.952 1.00 0.00 H new ATOM 0 HA MET A 63 -2.326 4.278 1.771 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.681 3.945 4.712 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.674 3.386 3.391 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.417 5.709 2.582 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.464 6.285 3.863 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.651 5.704 7.086 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.815 6.434 6.389 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.625 4.665 6.407 1.00 0.00 H new ATOM 487 N MET A 64 -2.953 1.828 1.768 1.00 0.00 N ATOM 488 CA MET A 64 -3.570 0.508 1.618 1.00 0.00 C ATOM 489 C MET A 64 -2.539 -0.614 1.671 1.00 0.00 C ATOM 490 O MET A 64 -1.531 -0.574 0.969 1.00 0.00 O ATOM 491 CB MET A 64 -4.332 0.417 0.284 1.00 0.00 C ATOM 492 CG MET A 64 -5.491 1.391 0.164 1.00 0.00 C ATOM 493 SD MET A 64 -6.411 1.190 -1.374 1.00 0.00 S ATOM 494 CE MET A 64 -7.698 2.418 -1.165 1.00 0.00 C ATOM 0 H MET A 64 -2.330 2.089 1.004 1.00 0.00 H new ATOM 0 HA MET A 64 -4.260 0.386 2.453 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.634 0.597 -0.534 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.710 -0.598 0.163 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.167 1.251 1.008 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.111 2.411 0.225 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.307 2.464 -2.068 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.326 2.146 -0.317 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.245 3.393 -0.983 1.00 0.00 H new ATOM 504 N PHE A 65 -2.804 -1.604 2.517 1.00 0.00 N ATOM 505 CA PHE A 65 -2.060 -2.859 2.516 1.00 0.00 C ATOM 506 C PHE A 65 -2.781 -3.830 1.587 1.00 0.00 C ATOM 507 O PHE A 65 -3.929 -4.199 1.851 1.00 0.00 O ATOM 508 CB PHE A 65 -1.995 -3.462 3.931 1.00 0.00 C ATOM 509 CG PHE A 65 -1.480 -2.521 4.993 1.00 0.00 C ATOM 510 CD1 PHE A 65 -2.331 -1.608 5.602 1.00 0.00 C ATOM 511 CD2 PHE A 65 -0.149 -2.552 5.388 1.00 0.00 C ATOM 512 CE1 PHE A 65 -1.867 -0.750 6.579 1.00 0.00 C ATOM 513 CE2 PHE A 65 0.317 -1.696 6.367 1.00 0.00 C ATOM 514 CZ PHE A 65 -0.542 -0.794 6.963 1.00 0.00 C ATOM 0 H PHE A 65 -3.540 -1.559 3.222 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.040 -2.677 2.179 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.992 -3.798 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.357 -4.345 3.906 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.369 -1.569 5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.529 -3.253 4.925 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.541 -0.045 7.043 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.354 -1.732 6.666 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.178 -0.124 7.728 1.00 0.00 H new ATOM 524 N VAL A 66 -2.130 -4.244 0.504 1.00 0.00 N ATOM 525 CA VAL A 66 -2.786 -5.065 -0.509 1.00 0.00 C ATOM 526 C VAL A 66 -2.188 -6.470 -0.545 1.00 0.00 C ATOM 527 O VAL A 66 -1.051 -6.659 -0.986 1.00 0.00 O ATOM 528 CB VAL A 66 -2.676 -4.424 -1.919 1.00 0.00 C ATOM 529 CG1 VAL A 66 -3.428 -5.254 -2.960 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.186 -2.982 -1.899 1.00 0.00 C ATOM 0 H VAL A 66 -1.154 -4.026 0.306 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.839 -5.129 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.623 -4.409 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.334 -4.782 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.005 -6.258 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.481 -5.314 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.100 -2.552 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.230 -2.970 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.592 -2.395 -1.199 1.00 0.00 H new ATOM 540 N THR A 67 -2.952 -7.448 -0.063 1.00 0.00 N ATOM 541 CA THR A 67 -2.562 -8.849 -0.152 1.00 0.00 C ATOM 542 C THR A 67 -2.811 -9.342 -1.574 1.00 0.00 C ATOM 543 O THR A 67 -3.961 -9.531 -1.978 1.00 0.00 O ATOM 544 CB THR A 67 -3.356 -9.722 0.848 1.00 0.00 C ATOM 545 OG1 THR A 67 -3.228 -9.191 2.176 1.00 0.00 O ATOM 546 CG2 THR A 67 -2.870 -11.170 0.831 1.00 0.00 C ATOM 0 H THR A 67 -3.850 -7.292 0.395 1.00 0.00 H new ATOM 0 HA THR A 67 -1.505 -8.932 0.099 1.00 0.00 H new ATOM 0 HB THR A 67 -4.403 -9.706 0.544 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.735 -9.749 2.802 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.449 -11.756 1.545 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.999 -11.585 -0.169 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.815 -11.203 1.105 1.00 0.00 H new ATOM 554 N VAL A 68 -1.738 -9.527 -2.333 1.00 0.00 N ATOM 555 CA VAL A 68 -1.861 -9.837 -3.753 1.00 0.00 C ATOM 556 C VAL A 68 -2.049 -11.331 -3.989 1.00 0.00 C ATOM 557 O VAL A 68 -3.066 -11.766 -4.529 1.00 0.00 O ATOM 558 CB VAL A 68 -0.621 -9.352 -4.543 1.00 0.00 C ATOM 559 CG1 VAL A 68 -0.716 -9.762 -6.013 1.00 0.00 C ATOM 560 CG2 VAL A 68 -0.458 -7.838 -4.408 1.00 0.00 C ATOM 0 H VAL A 68 -0.778 -9.468 -1.992 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.745 -9.310 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 68 0.262 -9.830 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.167 -9.410 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.774 -10.848 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.608 -9.321 -6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.419 -7.515 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.345 -7.340 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.332 -7.578 -3.357 1.00 0.00 H new ATOM 570 N SER A 69 -1.064 -12.111 -3.574 1.00 0.00 N ATOM 571 CA SER A 69 -1.023 -13.532 -3.884 1.00 0.00 C ATOM 572 C SER A 69 -1.693 -14.372 -2.799 1.00 0.00 C ATOM 573 O SER A 69 -2.415 -15.329 -3.094 1.00 0.00 O ATOM 574 CB SER A 69 0.436 -13.970 -4.072 1.00 0.00 C ATOM 575 OG SER A 69 0.534 -15.357 -4.343 1.00 0.00 O ATOM 0 H SER A 69 -0.276 -11.781 -3.017 1.00 0.00 H new ATOM 0 HA SER A 69 -1.580 -13.695 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.883 -13.406 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.006 -13.733 -3.174 1.00 0.00 H new ATOM 0 HG SER A 69 0.622 -15.496 -5.309 1.00 0.00 H new ATOM 581 N GLY A 70 -1.444 -14.018 -1.541 1.00 0.00 N ATOM 582 CA GLY A 70 -1.808 -14.886 -0.432 1.00 0.00 C ATOM 583 C GLY A 70 -0.706 -15.899 -0.182 1.00 0.00 C ATOM 584 O GLY A 70 -0.704 -16.620 0.819 1.00 0.00 O ATOM 0 H GLY A 70 -0.996 -13.143 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.977 -14.291 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.743 -15.401 -0.654 1.00 0.00 H new ATOM 588 N ASN A 71 0.233 -15.936 -1.122 1.00 0.00 N ATOM 589 CA ASN A 71 1.391 -16.811 -1.075 1.00 0.00 C ATOM 590 C ASN A 71 2.662 -15.967 -1.239 1.00 0.00 C ATOM 591 O ASN A 71 2.750 -15.152 -2.155 1.00 0.00 O ATOM 592 CB ASN A 71 1.277 -17.871 -2.183 1.00 0.00 C ATOM 593 CG ASN A 71 2.514 -18.740 -2.306 1.00 0.00 C ATOM 594 OD1 ASN A 71 3.395 -18.379 -3.222 1.00 0.00 O flip ATOM 595 ND2 ASN A 71 2.664 -19.742 -1.605 1.00 0.00 N flip ATOM 0 H ASN A 71 0.206 -15.345 -1.953 1.00 0.00 H new ATOM 0 HA ASN A 71 1.439 -17.327 -0.116 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.413 -18.505 -1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.094 -17.374 -3.135 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.960 -19.987 -0.908 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.492 -20.327 -1.721 1.00 0.00 H new ATOM 602 N PRO A 72 3.659 -16.163 -0.353 1.00 0.00 N ATOM 603 CA PRO A 72 4.871 -15.316 -0.263 1.00 0.00 C ATOM 604 C PRO A 72 5.572 -14.982 -1.598 1.00 0.00 C ATOM 605 O PRO A 72 6.395 -14.067 -1.636 1.00 0.00 O ATOM 606 CB PRO A 72 5.801 -16.138 0.637 1.00 0.00 C ATOM 607 CG PRO A 72 4.877 -16.904 1.518 1.00 0.00 C ATOM 608 CD PRO A 72 3.682 -17.242 0.665 1.00 0.00 C ATOM 0 HA PRO A 72 4.603 -14.328 0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.435 -16.803 0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.463 -15.496 1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.356 -17.807 1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.584 -16.313 2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.784 -18.225 0.204 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.763 -17.259 1.251 1.00 0.00 H new ATOM 616 N THR A 73 5.279 -15.715 -2.678 1.00 0.00 N ATOM 617 CA THR A 73 6.017 -15.560 -3.932 1.00 0.00 C ATOM 618 C THR A 73 5.909 -14.138 -4.501 1.00 0.00 C ATOM 619 O THR A 73 4.918 -13.787 -5.148 1.00 0.00 O ATOM 620 CB THR A 73 5.531 -16.580 -4.982 1.00 0.00 C ATOM 621 OG1 THR A 73 4.096 -16.566 -5.042 1.00 0.00 O ATOM 622 CG2 THR A 73 6.029 -17.983 -4.649 1.00 0.00 C ATOM 0 H THR A 73 4.540 -16.417 -2.707 1.00 0.00 H new ATOM 0 HA THR A 73 7.066 -15.747 -3.703 1.00 0.00 H new ATOM 0 HB THR A 73 5.936 -16.298 -5.954 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.743 -17.383 -4.632 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.673 -18.684 -5.404 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.119 -17.988 -4.634 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.651 -18.281 -3.671 1.00 0.00 H new ATOM 630 N GLU A 74 6.940 -13.334 -4.220 1.00 0.00 N ATOM 631 CA GLU A 74 7.078 -11.963 -4.736 1.00 0.00 C ATOM 632 C GLU A 74 6.718 -11.859 -6.217 1.00 0.00 C ATOM 633 O GLU A 74 6.235 -10.821 -6.662 1.00 0.00 O ATOM 634 CB GLU A 74 8.520 -11.482 -4.514 1.00 0.00 C ATOM 635 CG GLU A 74 8.764 -10.024 -4.879 1.00 0.00 C ATOM 636 CD GLU A 74 10.191 -9.592 -4.580 1.00 0.00 C ATOM 637 OE1 GLU A 74 11.065 -9.748 -5.459 1.00 0.00 O ATOM 638 OE2 GLU A 74 10.451 -9.118 -3.454 1.00 0.00 O ATOM 0 H GLU A 74 7.714 -13.619 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 74 6.378 -11.330 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.781 -11.629 -3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.192 -12.108 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.555 -9.876 -5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.070 -9.391 -4.326 1.00 0.00 H new ATOM 645 N LYS A 75 6.962 -12.941 -6.952 1.00 0.00 N ATOM 646 CA LYS A 75 6.662 -13.030 -8.389 1.00 0.00 C ATOM 647 C LYS A 75 5.389 -12.263 -8.756 1.00 0.00 C ATOM 648 O LYS A 75 5.427 -11.232 -9.439 1.00 0.00 O ATOM 649 CB LYS A 75 6.468 -14.503 -8.778 1.00 0.00 C ATOM 650 CG LYS A 75 7.630 -15.418 -8.407 1.00 0.00 C ATOM 651 CD LYS A 75 7.227 -16.888 -8.505 1.00 0.00 C ATOM 652 CE LYS A 75 8.397 -17.824 -8.231 1.00 0.00 C ATOM 653 NZ LYS A 75 7.982 -19.250 -8.290 1.00 0.00 N ATOM 0 H LYS A 75 7.377 -13.791 -6.569 1.00 0.00 H new ATOM 0 HA LYS A 75 7.500 -12.588 -8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.563 -14.875 -8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.306 -14.562 -9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.474 -15.225 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.962 -15.196 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.426 -17.092 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.829 -17.088 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.187 -17.644 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.815 -17.607 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.803 -19.859 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.246 -19.427 -7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.606 -19.463 -9.236 1.00 0.00 H new ATOM 667 N GLU A 76 4.266 -12.771 -8.254 1.00 0.00 N ATOM 668 CA GLU A 76 2.946 -12.277 -8.629 1.00 0.00 C ATOM 669 C GLU A 76 2.771 -10.819 -8.216 1.00 0.00 C ATOM 670 O GLU A 76 2.274 -9.993 -8.991 1.00 0.00 O ATOM 671 CB GLU A 76 1.862 -13.156 -7.983 1.00 0.00 C ATOM 672 CG GLU A 76 2.093 -14.656 -8.191 1.00 0.00 C ATOM 673 CD GLU A 76 0.833 -15.488 -8.006 1.00 0.00 C ATOM 674 OE1 GLU A 76 -0.093 -15.357 -8.835 1.00 0.00 O ATOM 675 OE2 GLU A 76 0.769 -16.284 -7.042 1.00 0.00 O ATOM 0 H GLU A 76 4.246 -13.534 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 76 2.848 -12.329 -9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.824 -12.946 -6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.890 -12.885 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.485 -14.821 -9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.854 -15.000 -7.491 1.00 0.00 H new ATOM 682 N THR A 77 3.205 -10.509 -7.002 1.00 0.00 N ATOM 683 CA THR A 77 3.080 -9.170 -6.451 1.00 0.00 C ATOM 684 C THR A 77 3.898 -8.161 -7.255 1.00 0.00 C ATOM 685 O THR A 77 3.448 -7.044 -7.503 1.00 0.00 O ATOM 686 CB THR A 77 3.525 -9.150 -4.973 1.00 0.00 C ATOM 687 OG1 THR A 77 2.793 -10.146 -4.243 1.00 0.00 O ATOM 688 CG2 THR A 77 3.297 -7.781 -4.339 1.00 0.00 C ATOM 0 H THR A 77 3.652 -11.177 -6.374 1.00 0.00 H new ATOM 0 HA THR A 77 2.030 -8.884 -6.511 1.00 0.00 H new ATOM 0 HB THR A 77 4.593 -9.365 -4.935 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.134 -10.195 -3.325 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.621 -7.803 -3.299 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.870 -7.029 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.237 -7.532 -4.383 1.00 0.00 H new ATOM 696 N GLU A 78 5.093 -8.563 -7.679 1.00 0.00 N ATOM 697 CA GLU A 78 5.980 -7.684 -8.429 1.00 0.00 C ATOM 698 C GLU A 78 5.390 -7.381 -9.805 1.00 0.00 C ATOM 699 O GLU A 78 5.296 -6.215 -10.202 1.00 0.00 O ATOM 700 CB GLU A 78 7.378 -8.311 -8.561 1.00 0.00 C ATOM 701 CG GLU A 78 8.368 -7.447 -9.337 1.00 0.00 C ATOM 702 CD GLU A 78 9.793 -7.974 -9.275 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.058 -9.064 -9.829 1.00 0.00 O ATOM 704 OE2 GLU A 78 10.663 -7.293 -8.690 1.00 0.00 O ATOM 0 H GLU A 78 5.469 -9.497 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 78 6.079 -6.745 -7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.777 -8.499 -7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.287 -9.278 -9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.053 -7.390 -10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.344 -6.432 -8.941 1.00 0.00 H new ATOM 711 N GLU A 79 4.982 -8.428 -10.523 1.00 0.00 N ATOM 712 CA GLU A 79 4.356 -8.261 -11.835 1.00 0.00 C ATOM 713 C GLU A 79 3.149 -7.320 -11.750 1.00 0.00 C ATOM 714 O GLU A 79 3.073 -6.311 -12.470 1.00 0.00 O ATOM 715 CB GLU A 79 3.925 -9.622 -12.424 1.00 0.00 C ATOM 716 CG GLU A 79 4.977 -10.300 -13.306 1.00 0.00 C ATOM 717 CD GLU A 79 6.215 -10.760 -12.548 1.00 0.00 C ATOM 718 OE1 GLU A 79 7.133 -9.938 -12.336 1.00 0.00 O ATOM 719 OE2 GLU A 79 6.289 -11.957 -12.191 1.00 0.00 O ATOM 0 H GLU A 79 5.073 -9.398 -10.220 1.00 0.00 H new ATOM 0 HA GLU A 79 5.098 -7.818 -12.498 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.671 -10.293 -11.604 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.018 -9.478 -13.010 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.524 -11.161 -13.798 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.280 -9.607 -14.091 1.00 0.00 H new ATOM 726 N ILE A 80 2.217 -7.633 -10.854 1.00 0.00 N ATOM 727 CA ILE A 80 0.967 -6.886 -10.772 1.00 0.00 C ATOM 728 C ILE A 80 1.207 -5.448 -10.298 1.00 0.00 C ATOM 729 O ILE A 80 0.593 -4.510 -10.814 1.00 0.00 O ATOM 730 CB ILE A 80 -0.069 -7.589 -9.855 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.470 -6.998 -10.079 1.00 0.00 C ATOM 732 CG2 ILE A 80 0.330 -7.484 -8.386 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.978 -7.148 -11.499 1.00 0.00 C ATOM 0 H ILE A 80 2.303 -8.393 -10.179 1.00 0.00 H new ATOM 0 HA ILE A 80 0.554 -6.854 -11.780 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.089 -8.646 -10.119 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.171 -7.482 -9.399 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.453 -5.940 -9.819 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.416 -7.986 -7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.301 -7.957 -8.238 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.390 -6.434 -8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.972 -6.707 -11.578 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.300 -6.639 -12.184 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.029 -8.206 -11.758 1.00 0.00 H new ATOM 745 N THR A 81 2.109 -5.270 -9.330 1.00 0.00 N ATOM 746 CA THR A 81 2.463 -3.935 -8.852 1.00 0.00 C ATOM 747 C THR A 81 3.066 -3.104 -9.988 1.00 0.00 C ATOM 748 O THR A 81 2.814 -1.904 -10.090 1.00 0.00 O ATOM 749 CB THR A 81 3.441 -3.995 -7.652 1.00 0.00 C ATOM 750 OG1 THR A 81 2.806 -4.645 -6.540 1.00 0.00 O ATOM 751 CG2 THR A 81 3.896 -2.599 -7.226 1.00 0.00 C ATOM 0 H THR A 81 2.604 -6.031 -8.865 1.00 0.00 H new ATOM 0 HA THR A 81 1.547 -3.456 -8.507 1.00 0.00 H new ATOM 0 HB THR A 81 4.319 -4.560 -7.967 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.891 -5.616 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.581 -2.681 -6.382 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.403 -2.112 -8.059 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.029 -2.007 -6.933 1.00 0.00 H new ATOM 759 N SER A 82 3.854 -3.751 -10.846 1.00 0.00 N ATOM 760 CA SER A 82 4.410 -3.087 -12.021 1.00 0.00 C ATOM 761 C SER A 82 3.283 -2.597 -12.932 1.00 0.00 C ATOM 762 O SER A 82 3.306 -1.455 -13.406 1.00 0.00 O ATOM 763 CB SER A 82 5.346 -4.038 -12.776 1.00 0.00 C ATOM 764 OG SER A 82 6.400 -4.479 -11.934 1.00 0.00 O ATOM 0 H SER A 82 4.120 -4.731 -10.749 1.00 0.00 H new ATOM 0 HA SER A 82 4.990 -2.223 -11.697 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.783 -4.897 -13.141 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.759 -3.533 -13.649 1.00 0.00 H new ATOM 0 HG SER A 82 6.028 -4.988 -11.184 1.00 0.00 H new ATOM 770 N LEU A 83 2.287 -3.460 -13.150 1.00 0.00 N ATOM 771 CA LEU A 83 1.112 -3.092 -13.945 1.00 0.00 C ATOM 772 C LEU A 83 0.409 -1.882 -13.328 1.00 0.00 C ATOM 773 O LEU A 83 0.078 -0.914 -14.023 1.00 0.00 O ATOM 774 CB LEU A 83 0.125 -4.270 -14.054 1.00 0.00 C ATOM 775 CG LEU A 83 0.709 -5.559 -14.664 1.00 0.00 C ATOM 776 CD1 LEU A 83 -0.360 -6.646 -14.765 1.00 0.00 C ATOM 777 CD2 LEU A 83 1.327 -5.280 -16.034 1.00 0.00 C ATOM 0 H LEU A 83 2.270 -4.414 -12.789 1.00 0.00 H new ATOM 0 HA LEU A 83 1.454 -2.835 -14.947 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.256 -4.498 -13.058 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.727 -3.955 -14.657 1.00 0.00 H new ATOM 0 HG LEU A 83 1.497 -5.918 -14.002 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.076 -7.546 -15.198 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.744 -6.872 -13.770 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.175 -6.297 -15.398 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.733 -6.204 -16.445 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.562 -4.889 -16.705 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.127 -4.547 -15.930 1.00 0.00 H new ATOM 789 N TRP A 84 0.198 -1.944 -12.014 1.00 0.00 N ATOM 790 CA TRP A 84 -0.472 -0.873 -11.287 1.00 0.00 C ATOM 791 C TRP A 84 0.274 0.448 -11.445 1.00 0.00 C ATOM 792 O TRP A 84 -0.339 1.476 -11.719 1.00 0.00 O ATOM 793 CB TRP A 84 -0.614 -1.236 -9.804 1.00 0.00 C ATOM 794 CG TRP A 84 -1.566 -2.370 -9.561 1.00 0.00 C ATOM 795 CD1 TRP A 84 -2.563 -2.791 -10.395 1.00 0.00 C ATOM 796 CD2 TRP A 84 -1.629 -3.217 -8.406 1.00 0.00 C ATOM 797 NE1 TRP A 84 -3.234 -3.844 -9.835 1.00 0.00 N ATOM 798 CE2 TRP A 84 -2.684 -4.125 -8.612 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.894 -3.298 -7.220 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -3.024 -5.099 -7.677 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -1.233 -4.266 -6.290 1.00 0.00 C ATOM 802 CH2 TRP A 84 -2.289 -5.154 -6.524 1.00 0.00 C ATOM 0 H TRP A 84 0.484 -2.730 -11.431 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.468 -0.750 -11.712 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.366 -1.501 -9.406 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.955 -0.359 -9.253 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.789 -2.356 -11.357 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.018 -4.340 -10.260 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.076 -2.618 -7.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.838 -5.786 -7.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.673 -4.337 -5.369 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.529 -5.898 -5.779 1.00 0.00 H new ATOM 813 N GLN A 85 1.595 0.412 -11.290 1.00 0.00 N ATOM 814 CA GLN A 85 2.416 1.612 -11.444 1.00 0.00 C ATOM 815 C GLN A 85 2.229 2.200 -12.842 1.00 0.00 C ATOM 816 O GLN A 85 1.792 3.345 -12.987 1.00 0.00 O ATOM 817 CB GLN A 85 3.897 1.294 -11.188 1.00 0.00 C ATOM 818 CG GLN A 85 4.191 0.833 -9.764 1.00 0.00 C ATOM 819 CD GLN A 85 5.644 0.444 -9.562 1.00 0.00 C ATOM 820 OE1 GLN A 85 6.476 1.269 -9.182 1.00 0.00 O ATOM 821 NE2 GLN A 85 5.958 -0.817 -9.818 1.00 0.00 N ATOM 0 H GLN A 85 2.119 -0.432 -11.059 1.00 0.00 H new ATOM 0 HA GLN A 85 2.095 2.349 -10.707 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.218 0.519 -11.884 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.492 2.182 -11.403 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.933 1.631 -9.068 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.554 -0.019 -9.524 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.238 -1.468 -10.131 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.920 -1.137 -9.702 1.00 0.00 H new ATOM 830 N GLY A 86 2.558 1.404 -13.861 1.00 0.00 N ATOM 831 CA GLY A 86 2.376 1.823 -15.244 1.00 0.00 C ATOM 832 C GLY A 86 1.016 2.448 -15.510 1.00 0.00 C ATOM 833 O GLY A 86 0.916 3.436 -16.234 1.00 0.00 O ATOM 0 H GLY A 86 2.950 0.469 -13.751 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.155 2.540 -15.504 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.506 0.960 -15.898 1.00 0.00 H new ATOM 837 N SER A 87 -0.029 1.883 -14.916 1.00 0.00 N ATOM 838 CA SER A 87 -1.388 2.380 -15.120 1.00 0.00 C ATOM 839 C SER A 87 -1.614 3.709 -14.385 1.00 0.00 C ATOM 840 O SER A 87 -1.942 4.725 -15.001 1.00 0.00 O ATOM 841 CB SER A 87 -2.404 1.332 -14.651 1.00 0.00 C ATOM 842 OG SER A 87 -2.187 0.088 -15.300 1.00 0.00 O ATOM 0 H SER A 87 0.037 1.081 -14.289 1.00 0.00 H new ATOM 0 HA SER A 87 -1.526 2.562 -16.186 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.326 1.202 -13.572 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.415 1.683 -14.857 1.00 0.00 H new ATOM 0 HG SER A 87 -1.407 -0.355 -14.905 1.00 0.00 H new ATOM 848 N LEU A 88 -1.412 3.688 -13.067 1.00 0.00 N ATOM 849 CA LEU A 88 -1.690 4.842 -12.210 1.00 0.00 C ATOM 850 C LEU A 88 -0.897 6.072 -12.649 1.00 0.00 C ATOM 851 O LEU A 88 -1.468 7.133 -12.909 1.00 0.00 O ATOM 852 CB LEU A 88 -1.359 4.505 -10.747 1.00 0.00 C ATOM 853 CG LEU A 88 -2.163 3.346 -10.132 1.00 0.00 C ATOM 854 CD1 LEU A 88 -1.636 3.000 -8.742 1.00 0.00 C ATOM 855 CD2 LEU A 88 -3.652 3.684 -10.075 1.00 0.00 C ATOM 0 H LEU A 88 -1.053 2.876 -12.565 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.751 5.074 -12.301 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.298 4.263 -10.680 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.521 5.397 -10.142 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.038 2.473 -10.772 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.219 2.178 -8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.590 2.703 -8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.723 3.871 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.198 2.849 -9.636 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.800 4.575 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.022 3.870 -11.083 1.00 0.00 H new ATOM 867 N PHE A 89 0.415 5.911 -12.751 1.00 0.00 N ATOM 868 CA PHE A 89 1.310 7.029 -13.044 1.00 0.00 C ATOM 869 C PHE A 89 1.069 7.582 -14.446 1.00 0.00 C ATOM 870 O PHE A 89 1.231 8.783 -14.683 1.00 0.00 O ATOM 871 CB PHE A 89 2.773 6.607 -12.861 1.00 0.00 C ATOM 872 CG PHE A 89 3.133 6.359 -11.416 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.681 5.223 -10.759 1.00 0.00 C ATOM 874 CD2 PHE A 89 3.912 7.267 -10.712 1.00 0.00 C ATOM 875 CE1 PHE A 89 2.999 4.998 -9.436 1.00 0.00 C ATOM 876 CE2 PHE A 89 4.232 7.044 -9.389 1.00 0.00 C ATOM 877 CZ PHE A 89 3.774 5.908 -8.751 1.00 0.00 C ATOM 0 H PHE A 89 0.888 5.015 -12.635 1.00 0.00 H new ATOM 0 HA PHE A 89 1.093 7.829 -12.337 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.960 5.701 -13.438 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.424 7.383 -13.265 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.073 4.506 -11.290 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.271 8.158 -11.206 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.641 4.109 -8.938 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.840 7.757 -8.852 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.023 5.733 -7.715 1.00 0.00 H new ATOM 887 N ASN A 90 0.659 6.714 -15.365 1.00 0.00 N ATOM 888 CA ASN A 90 0.322 7.138 -16.724 1.00 0.00 C ATOM 889 C ASN A 90 -1.017 7.877 -16.717 1.00 0.00 C ATOM 890 O ASN A 90 -1.299 8.701 -17.592 1.00 0.00 O ATOM 891 CB ASN A 90 0.273 5.927 -17.663 1.00 0.00 C ATOM 892 CG ASN A 90 0.077 6.303 -19.122 1.00 0.00 C ATOM 893 OD1 ASN A 90 0.467 7.387 -19.558 1.00 0.00 O ATOM 894 ND2 ASN A 90 -0.508 5.398 -19.889 1.00 0.00 N ATOM 0 H ASN A 90 0.551 5.714 -15.196 1.00 0.00 H new ATOM 0 HA ASN A 90 1.093 7.817 -17.089 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.199 5.361 -17.563 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.538 5.269 -17.353 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.651 5.586 -20.881 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.816 4.512 -19.488 1.00 0.00 H new ATOM 901 N ALA A 91 -1.831 7.584 -15.705 1.00 0.00 N ATOM 902 CA ALA A 91 -3.100 8.278 -15.492 1.00 0.00 C ATOM 903 C ALA A 91 -2.896 9.502 -14.592 1.00 0.00 C ATOM 904 O ALA A 91 -3.859 10.062 -14.062 1.00 0.00 O ATOM 905 CB ALA A 91 -4.123 7.324 -14.886 1.00 0.00 C ATOM 0 H ALA A 91 -1.631 6.862 -15.012 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.478 8.624 -16.454 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.065 7.851 -14.731 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.284 6.485 -15.563 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.753 6.953 -13.930 1.00 0.00 H new ATOM 911 N ASN A 92 -1.627 9.891 -14.419 1.00 0.00 N ATOM 912 CA ASN A 92 -1.250 11.099 -13.670 1.00 0.00 C ATOM 913 C ASN A 92 -1.433 10.909 -12.155 1.00 0.00 C ATOM 914 O ASN A 92 -1.300 11.855 -11.376 1.00 0.00 O ATOM 915 CB ASN A 92 -2.044 12.319 -14.190 1.00 0.00 C ATOM 916 CG ASN A 92 -1.682 13.624 -13.495 1.00 0.00 C ATOM 917 OD1 ASN A 92 -0.740 14.314 -13.892 1.00 0.00 O ATOM 918 ND2 ASN A 92 -2.443 13.985 -12.473 1.00 0.00 N ATOM 0 H ASN A 92 -0.830 9.377 -14.795 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.189 11.285 -13.836 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.869 12.427 -15.260 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.110 12.131 -14.059 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.259 14.861 -11.985 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.213 13.387 -12.174 1.00 0.00 H new ATOM 925 N TYR A 93 -1.700 9.677 -11.730 1.00 0.00 N ATOM 926 CA TYR A 93 -1.815 9.373 -10.304 1.00 0.00 C ATOM 927 C TYR A 93 -0.428 9.190 -9.697 1.00 0.00 C ATOM 928 O TYR A 93 0.142 8.094 -9.737 1.00 0.00 O ATOM 929 CB TYR A 93 -2.658 8.112 -10.060 1.00 0.00 C ATOM 930 CG TYR A 93 -4.084 8.193 -10.579 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.828 9.364 -10.469 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.686 7.091 -11.176 1.00 0.00 C ATOM 933 CE1 TYR A 93 -6.128 9.431 -10.937 1.00 0.00 C ATOM 934 CE2 TYR A 93 -5.984 7.150 -11.645 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.702 8.320 -11.522 1.00 0.00 C ATOM 936 OH TYR A 93 -7.996 8.382 -11.987 1.00 0.00 O ATOM 0 H TYR A 93 -1.840 8.877 -12.347 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.318 10.213 -9.825 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.162 7.263 -10.530 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.686 7.912 -8.989 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.383 10.235 -10.011 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.128 6.171 -11.275 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.691 10.348 -10.845 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.434 6.283 -12.106 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.248 7.516 -12.371 1.00 0.00 H new ATOM 946 N ASP A 94 0.134 10.274 -9.176 1.00 0.00 N ATOM 947 CA ASP A 94 1.440 10.225 -8.529 1.00 0.00 C ATOM 948 C ASP A 94 1.282 9.756 -7.085 1.00 0.00 C ATOM 949 O ASP A 94 0.976 10.546 -6.189 1.00 0.00 O ATOM 950 CB ASP A 94 2.130 11.596 -8.573 1.00 0.00 C ATOM 951 CG ASP A 94 3.576 11.538 -8.090 1.00 0.00 C ATOM 952 OD1 ASP A 94 3.817 11.683 -6.871 1.00 0.00 O ATOM 953 OD2 ASP A 94 4.483 11.367 -8.935 1.00 0.00 O ATOM 0 H ASP A 94 -0.295 11.199 -9.189 1.00 0.00 H new ATOM 0 HA ASP A 94 2.068 9.517 -9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.106 11.979 -9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.572 12.300 -7.956 1.00 0.00 H new ATOM 958 N VAL A 95 1.446 8.457 -6.879 1.00 0.00 N ATOM 959 CA VAL A 95 1.314 7.852 -5.556 1.00 0.00 C ATOM 960 C VAL A 95 2.610 7.153 -5.162 1.00 0.00 C ATOM 961 O VAL A 95 3.478 6.914 -6.004 1.00 0.00 O ATOM 962 CB VAL A 95 0.147 6.829 -5.510 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.189 7.518 -5.776 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.379 5.689 -6.503 1.00 0.00 C ATOM 0 H VAL A 95 1.673 7.793 -7.619 1.00 0.00 H new ATOM 0 HA VAL A 95 1.098 8.655 -4.851 1.00 0.00 H new ATOM 0 HB VAL A 95 0.114 6.401 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.992 6.782 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.362 8.282 -5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.169 7.983 -6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.453 4.986 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.449 6.094 -7.512 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.306 5.173 -6.254 1.00 0.00 H new ATOM 974 N GLN A 96 2.739 6.826 -3.884 1.00 0.00 N ATOM 975 CA GLN A 96 3.904 6.101 -3.396 1.00 0.00 C ATOM 976 C GLN A 96 3.517 4.650 -3.138 1.00 0.00 C ATOM 977 O GLN A 96 2.352 4.353 -2.876 1.00 0.00 O ATOM 978 CB GLN A 96 4.460 6.760 -2.123 1.00 0.00 C ATOM 979 CG GLN A 96 5.774 6.160 -1.619 1.00 0.00 C ATOM 980 CD GLN A 96 6.932 6.297 -2.604 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.742 6.307 -3.821 1.00 0.00 O ATOM 982 NE2 GLN A 96 8.146 6.393 -2.084 1.00 0.00 N ATOM 0 H GLN A 96 2.051 7.051 -3.166 1.00 0.00 H new ATOM 0 HA GLN A 96 4.691 6.130 -4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.611 7.822 -2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.713 6.682 -1.333 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.048 6.644 -0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.619 5.104 -1.399 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.270 6.382 -1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.958 6.478 -2.696 1.00 0.00 H new ATOM 991 N ARG A 97 4.483 3.747 -3.230 1.00 0.00 N ATOM 992 CA ARG A 97 4.216 2.323 -3.057 1.00 0.00 C ATOM 993 C ARG A 97 5.481 1.596 -2.617 1.00 0.00 C ATOM 994 O ARG A 97 6.532 1.720 -3.249 1.00 0.00 O ATOM 995 CB ARG A 97 3.660 1.702 -4.359 1.00 0.00 C ATOM 996 CG ARG A 97 4.632 1.690 -5.545 1.00 0.00 C ATOM 997 CD ARG A 97 4.977 3.095 -6.036 1.00 0.00 C ATOM 998 NE ARG A 97 5.946 3.067 -7.132 1.00 0.00 N ATOM 999 CZ ARG A 97 6.540 4.148 -7.641 1.00 0.00 C ATOM 1000 NH1 ARG A 97 6.287 5.356 -7.145 1.00 0.00 N ATOM 1001 NH2 ARG A 97 7.394 4.023 -8.646 1.00 0.00 N ATOM 0 H ARG A 97 5.459 3.973 -3.423 1.00 0.00 H new ATOM 0 HA ARG A 97 3.460 2.211 -2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.353 0.677 -4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.764 2.250 -4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.548 1.176 -5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.193 1.120 -6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.068 3.597 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.381 3.680 -5.209 1.00 0.00 H new ATOM 0 HE ARG A 97 6.183 2.160 -7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.634 5.462 -6.369 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.746 6.176 -7.541 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.597 3.100 -9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.848 4.849 -9.035 1.00 0.00 H new ATOM 1015 N PHE A 98 5.377 0.854 -1.521 1.00 0.00 N ATOM 1016 CA PHE A 98 6.486 0.055 -1.012 1.00 0.00 C ATOM 1017 C PHE A 98 6.134 -1.424 -1.126 1.00 0.00 C ATOM 1018 O PHE A 98 5.095 -1.865 -0.622 1.00 0.00 O ATOM 1019 CB PHE A 98 6.796 0.391 0.463 1.00 0.00 C ATOM 1020 CG PHE A 98 7.254 1.812 0.731 1.00 0.00 C ATOM 1021 CD1 PHE A 98 7.567 2.683 -0.303 1.00 0.00 C ATOM 1022 CD2 PHE A 98 7.371 2.270 2.038 1.00 0.00 C ATOM 1023 CE1 PHE A 98 7.982 3.972 -0.040 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.785 3.561 2.304 1.00 0.00 C ATOM 1025 CZ PHE A 98 8.089 4.414 1.263 1.00 0.00 C ATOM 0 H PHE A 98 4.526 0.789 -0.962 1.00 0.00 H new ATOM 0 HA PHE A 98 7.370 0.284 -1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.902 0.199 1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.567 -0.293 0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.485 2.348 -1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.135 1.607 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.224 4.637 -0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.871 3.902 3.325 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.410 5.425 1.467 1.00 0.00 H new ATOM 1035 N ILE A 99 6.981 -2.185 -1.805 1.00 0.00 N ATOM 1036 CA ILE A 99 6.802 -3.627 -1.886 1.00 0.00 C ATOM 1037 C ILE A 99 7.774 -4.323 -0.930 1.00 0.00 C ATOM 1038 O ILE A 99 8.910 -4.654 -1.276 1.00 0.00 O ATOM 1039 CB ILE A 99 6.955 -4.155 -3.343 1.00 0.00 C ATOM 1040 CG1 ILE A 99 6.877 -5.695 -3.378 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.249 -3.650 -3.980 1.00 0.00 C ATOM 1042 CD1 ILE A 99 6.960 -6.286 -4.773 1.00 0.00 C ATOM 0 H ILE A 99 7.795 -1.829 -2.306 1.00 0.00 H new ATOM 0 HA ILE A 99 5.782 -3.862 -1.582 1.00 0.00 H new ATOM 0 HB ILE A 99 6.126 -3.764 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.686 -6.103 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.942 -6.012 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.328 -4.035 -4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.242 -2.560 -4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.101 -3.994 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.898 -7.373 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.135 -5.909 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.907 -6.002 -5.233 1.00 0.00 H new ATOM 1054 N VAL A 100 7.308 -4.497 0.298 1.00 0.00 N ATOM 1055 CA VAL A 100 8.053 -5.181 1.345 1.00 0.00 C ATOM 1056 C VAL A 100 7.155 -6.252 1.941 1.00 0.00 C ATOM 1057 O VAL A 100 5.951 -6.034 2.084 1.00 0.00 O ATOM 1058 CB VAL A 100 8.530 -4.194 2.449 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.348 -3.455 3.078 1.00 0.00 C ATOM 1060 CG2 VAL A 100 9.353 -4.922 3.515 1.00 0.00 C ATOM 0 H VAL A 100 6.392 -4.164 0.599 1.00 0.00 H new ATOM 0 HA VAL A 100 8.948 -5.630 0.915 1.00 0.00 H new ATOM 0 HB VAL A 100 9.173 -3.451 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.712 -2.773 3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.822 -2.889 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.666 -4.176 3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.675 -4.210 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.743 -5.697 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.228 -5.377 3.051 1.00 0.00 H new ATOM 1070 N GLY A 101 7.724 -7.404 2.275 1.00 0.00 N ATOM 1071 CA GLY A 101 6.904 -8.543 2.635 1.00 0.00 C ATOM 1072 C GLY A 101 6.135 -9.017 1.422 1.00 0.00 C ATOM 1073 O GLY A 101 4.941 -8.775 1.302 1.00 0.00 O ATOM 0 H GLY A 101 8.730 -7.569 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.530 -9.348 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.213 -8.269 3.432 1.00 0.00 H new ATOM 1077 N SER A 102 6.853 -9.705 0.544 1.00 0.00 N ATOM 1078 CA SER A 102 6.431 -10.013 -0.826 1.00 0.00 C ATOM 1079 C SER A 102 4.926 -10.281 -1.014 1.00 0.00 C ATOM 1080 O SER A 102 4.370 -9.933 -2.054 1.00 0.00 O ATOM 1081 CB SER A 102 7.242 -11.207 -1.307 1.00 0.00 C ATOM 1082 OG SER A 102 8.632 -10.944 -1.186 1.00 0.00 O ATOM 0 H SER A 102 7.775 -10.078 0.768 1.00 0.00 H new ATOM 0 HA SER A 102 6.618 -9.118 -1.419 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.981 -12.090 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.996 -11.426 -2.346 1.00 0.00 H new ATOM 0 HG SER A 102 9.136 -11.769 -1.344 1.00 0.00 H new ATOM 1088 N ASP A 103 4.277 -10.894 -0.029 1.00 0.00 N ATOM 1089 CA ASP A 103 2.850 -11.239 -0.138 1.00 0.00 C ATOM 1090 C ASP A 103 1.977 -9.996 -0.357 1.00 0.00 C ATOM 1091 O ASP A 103 0.963 -10.041 -1.070 1.00 0.00 O ATOM 1092 CB ASP A 103 2.389 -11.986 1.125 1.00 0.00 C ATOM 1093 CG ASP A 103 0.877 -12.191 1.182 1.00 0.00 C ATOM 1094 OD1 ASP A 103 0.304 -12.695 0.195 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.258 -11.840 2.218 1.00 0.00 O ATOM 0 H ASP A 103 4.709 -11.165 0.855 1.00 0.00 H new ATOM 0 HA ASP A 103 2.734 -11.885 -1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.883 -12.957 1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.707 -11.429 2.006 1.00 0.00 H new ATOM 1100 N ARG A 104 2.382 -8.881 0.245 1.00 0.00 N ATOM 1101 CA ARG A 104 1.559 -7.678 0.273 1.00 0.00 C ATOM 1102 C ARG A 104 2.327 -6.450 -0.212 1.00 0.00 C ATOM 1103 O ARG A 104 3.475 -6.223 0.173 1.00 0.00 O ATOM 1104 CB ARG A 104 1.044 -7.453 1.700 1.00 0.00 C ATOM 1105 CG ARG A 104 0.296 -8.660 2.246 1.00 0.00 C ATOM 1106 CD ARG A 104 -0.084 -8.518 3.711 1.00 0.00 C ATOM 1107 NE ARG A 104 -0.766 -9.724 4.191 1.00 0.00 N ATOM 1108 CZ ARG A 104 -1.505 -9.784 5.299 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -1.639 -8.716 6.076 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -2.098 -10.919 5.638 1.00 0.00 N ATOM 0 H ARG A 104 3.279 -8.787 0.721 1.00 0.00 H new ATOM 0 HA ARG A 104 0.720 -7.822 -0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.885 -7.224 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.385 -6.585 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.608 -8.816 1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.915 -9.549 2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.810 -8.339 4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.733 -7.652 3.841 1.00 0.00 H new ATOM 0 HE ARG A 104 -0.668 -10.576 3.639 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.175 -7.842 5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.206 -8.769 6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.989 -11.746 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.664 -10.966 6.486 1.00 0.00 H new ATOM 1124 N ALA A 105 1.677 -5.669 -1.066 1.00 0.00 N ATOM 1125 CA ALA A 105 2.211 -4.393 -1.527 1.00 0.00 C ATOM 1126 C ALA A 105 1.437 -3.261 -0.859 1.00 0.00 C ATOM 1127 O ALA A 105 0.203 -3.267 -0.875 1.00 0.00 O ATOM 1128 CB ALA A 105 2.105 -4.292 -3.046 1.00 0.00 C ATOM 0 H ALA A 105 0.765 -5.902 -1.459 1.00 0.00 H new ATOM 0 HA ALA A 105 3.265 -4.318 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.507 -3.334 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.673 -5.102 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.059 -4.368 -3.344 1.00 0.00 H new ATOM 1134 N ILE A 106 2.138 -2.310 -0.247 1.00 0.00 N ATOM 1135 CA ILE A 106 1.470 -1.197 0.426 1.00 0.00 C ATOM 1136 C ILE A 106 1.575 0.082 -0.409 1.00 0.00 C ATOM 1137 O ILE A 106 2.648 0.423 -0.914 1.00 0.00 O ATOM 1138 CB ILE A 106 2.032 -0.968 1.857 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.323 0.223 2.534 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.546 -0.768 1.833 1.00 0.00 C ATOM 1141 CD1 ILE A 106 1.774 0.481 3.957 1.00 0.00 C ATOM 0 H ILE A 106 3.157 -2.286 -0.202 1.00 0.00 H new ATOM 0 HA ILE A 106 0.417 -1.460 0.527 1.00 0.00 H new ATOM 0 HB ILE A 106 1.831 -1.863 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.496 1.121 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.248 0.042 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.908 -0.610 2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.023 -1.652 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.788 0.102 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.229 1.333 4.362 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.575 -0.400 4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.843 0.696 3.967 1.00 0.00 H new ATOM 1153 N PHE A 107 0.445 0.772 -0.559 1.00 0.00 N ATOM 1154 CA PHE A 107 0.357 1.986 -1.372 1.00 0.00 C ATOM 1155 C PHE A 107 0.011 3.182 -0.491 1.00 0.00 C ATOM 1156 O PHE A 107 -0.937 3.127 0.294 1.00 0.00 O ATOM 1157 CB PHE A 107 -0.707 1.828 -2.475 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.261 1.001 -3.657 1.00 0.00 C ATOM 1159 CD1 PHE A 107 0.122 -0.322 -3.497 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -0.227 1.553 -4.934 1.00 0.00 C ATOM 1161 CE1 PHE A 107 0.533 -1.076 -4.580 1.00 0.00 C ATOM 1162 CE2 PHE A 107 0.183 0.801 -6.019 1.00 0.00 C ATOM 1163 CZ PHE A 107 0.565 -0.514 -5.841 1.00 0.00 C ATOM 0 H PHE A 107 -0.436 0.505 -0.120 1.00 0.00 H new ATOM 0 HA PHE A 107 1.326 2.153 -1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.597 1.371 -2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.997 2.818 -2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.099 -0.769 -2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.524 2.581 -5.079 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.829 -2.105 -4.440 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.205 1.241 -7.005 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.888 -1.102 -6.687 1.00 0.00 H new ATOM 1173 N MET A 108 0.784 4.253 -0.622 1.00 0.00 N ATOM 1174 CA MET A 108 0.564 5.469 0.146 1.00 0.00 C ATOM 1175 C MET A 108 0.033 6.582 -0.749 1.00 0.00 C ATOM 1176 O MET A 108 0.669 6.948 -1.744 1.00 0.00 O ATOM 1177 CB MET A 108 1.865 5.942 0.811 1.00 0.00 C ATOM 1178 CG MET A 108 2.495 4.928 1.755 1.00 0.00 C ATOM 1179 SD MET A 108 3.189 3.505 0.897 1.00 0.00 S ATOM 1180 CE MET A 108 4.023 2.689 2.252 1.00 0.00 C ATOM 0 H MET A 108 1.577 4.302 -1.261 1.00 0.00 H new ATOM 0 HA MET A 108 -0.171 5.240 0.918 1.00 0.00 H new ATOM 0 HB2 MET A 108 2.586 6.192 0.033 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.663 6.859 1.365 1.00 0.00 H new ATOM 0 HG2 MET A 108 3.280 5.416 2.332 1.00 0.00 H new ATOM 0 HG3 MET A 108 1.743 4.586 2.466 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.523 1.793 1.885 1.00 0.00 H new ATOM 0 HE2 MET A 108 4.761 3.364 2.685 1.00 0.00 H new ATOM 0 HE3 MET A 108 3.294 2.412 3.014 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.131 7.116 -0.393 1.00 0.00 N ATOM 1191 CA LEU A 109 -1.673 8.294 -1.053 1.00 0.00 C ATOM 1192 C LEU A 109 -2.029 9.324 0.011 1.00 0.00 C ATOM 1193 O LEU A 109 -2.907 9.097 0.842 1.00 0.00 O ATOM 1194 CB LEU A 109 -2.885 7.956 -1.952 1.00 0.00 C ATOM 1195 CG LEU A 109 -4.029 7.141 -1.314 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -5.284 7.213 -2.184 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -3.617 5.681 -1.108 1.00 0.00 C ATOM 0 H LEU A 109 -1.719 6.747 0.354 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.917 8.706 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.303 8.892 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.520 7.405 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.247 7.576 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -6.082 6.633 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.600 8.252 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.066 6.806 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.442 5.130 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.366 5.235 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.749 5.637 -0.450 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.323 10.450 -0.012 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.411 11.440 1.052 1.00 0.00 C ATOM 1211 C ARG A 110 -2.836 11.969 1.126 1.00 0.00 C ATOM 1212 O ARG A 110 -3.346 12.278 2.204 1.00 0.00 O ATOM 1213 CB ARG A 110 -0.411 12.587 0.787 1.00 0.00 C ATOM 1214 CG ARG A 110 0.244 13.187 2.036 1.00 0.00 C ATOM 1215 CD ARG A 110 -0.767 13.820 2.987 1.00 0.00 C ATOM 1216 NE ARG A 110 -1.650 14.771 2.296 1.00 0.00 N ATOM 1217 CZ ARG A 110 -1.994 15.961 2.780 1.00 0.00 C ATOM 1218 NH1 ARG A 110 -1.487 16.389 3.925 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -2.842 16.733 2.108 1.00 0.00 N ATOM 0 H ARG A 110 -0.679 10.699 -0.763 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.155 10.981 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.374 12.217 0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.929 13.382 0.251 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.793 12.407 2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.972 13.940 1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.368 13.038 3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.238 14.334 3.790 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.023 14.500 1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.829 15.805 4.441 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.754 17.303 4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.229 16.413 1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.105 17.646 2.480 1.00 0.00 H new ATOM 1233 N ASP A 111 -3.471 12.062 -0.035 1.00 0.00 N ATOM 1234 CA ASP A 111 -4.849 12.514 -0.122 1.00 0.00 C ATOM 1235 C ASP A 111 -5.727 11.411 -0.708 1.00 0.00 C ATOM 1236 O ASP A 111 -5.614 11.072 -1.889 1.00 0.00 O ATOM 1237 CB ASP A 111 -4.939 13.796 -0.967 1.00 0.00 C ATOM 1238 CG ASP A 111 -4.151 14.946 -0.355 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -2.913 15.003 -0.541 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -4.756 15.793 0.337 1.00 0.00 O ATOM 0 H ASP A 111 -3.049 11.828 -0.933 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.210 12.744 0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.564 13.595 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.984 14.088 -1.070 1.00 0.00 H new ATOM 1245 N GLY A 112 -6.606 10.860 0.127 1.00 0.00 N ATOM 1246 CA GLY A 112 -7.414 9.718 -0.262 1.00 0.00 C ATOM 1247 C GLY A 112 -8.699 10.109 -0.971 1.00 0.00 C ATOM 1248 O GLY A 112 -9.777 9.612 -0.636 1.00 0.00 O ATOM 0 H GLY A 112 -6.773 11.190 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.828 9.072 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.659 9.135 0.626 1.00 0.00 H new ATOM 1252 N SER A 113 -8.585 10.990 -1.957 1.00 0.00 N ATOM 1253 CA SER A 113 -9.738 11.417 -2.739 1.00 0.00 C ATOM 1254 C SER A 113 -10.248 10.254 -3.600 1.00 0.00 C ATOM 1255 O SER A 113 -11.297 9.668 -3.319 1.00 0.00 O ATOM 1256 CB SER A 113 -9.362 12.625 -3.609 1.00 0.00 C ATOM 1257 OG SER A 113 -10.464 13.090 -4.369 1.00 0.00 O ATOM 0 H SER A 113 -7.704 11.423 -2.234 1.00 0.00 H new ATOM 0 HA SER A 113 -10.540 11.718 -2.065 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.993 13.430 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.548 12.350 -4.280 1.00 0.00 H new ATOM 0 HG SER A 113 -10.188 13.860 -4.909 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.478 9.909 -4.630 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.808 8.788 -5.517 1.00 0.00 C ATOM 1265 C TYR A 114 -9.405 7.440 -4.900 1.00 0.00 C ATOM 1266 O TYR A 114 -9.115 6.481 -5.620 1.00 0.00 O ATOM 1267 CB TYR A 114 -9.130 8.979 -6.888 1.00 0.00 C ATOM 1268 CG TYR A 114 -7.614 9.123 -6.830 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -7.021 10.358 -6.586 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.779 8.026 -7.031 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.647 10.496 -6.545 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -5.404 8.158 -6.986 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.843 9.393 -6.744 1.00 0.00 C ATOM 1274 OH TYR A 114 -3.475 9.528 -6.705 1.00 0.00 O ATOM 0 H TYR A 114 -8.614 10.392 -4.875 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.889 8.776 -5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -9.377 8.128 -7.523 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.548 9.865 -7.365 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.646 11.224 -6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -7.213 7.056 -7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -5.204 11.463 -6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.772 7.296 -7.140 1.00 0.00 H new ATOM 0 HH TYR A 114 -3.236 10.258 -6.097 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.433 7.365 -3.567 1.00 0.00 N ATOM 1285 CA ALA A 115 -9.039 6.157 -2.839 1.00 0.00 C ATOM 1286 C ALA A 115 -9.873 4.954 -3.263 1.00 0.00 C ATOM 1287 O ALA A 115 -9.356 3.852 -3.448 1.00 0.00 O ATOM 1288 CB ALA A 115 -9.185 6.375 -1.337 1.00 0.00 C ATOM 0 H ALA A 115 -9.727 8.135 -2.966 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.996 5.953 -3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.889 5.469 -0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.547 7.202 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.223 6.609 -1.103 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.165 5.179 -3.434 1.00 0.00 N ATOM 1295 CA TRP A 116 -12.095 4.099 -3.715 1.00 0.00 C ATOM 1296 C TRP A 116 -11.942 3.642 -5.161 1.00 0.00 C ATOM 1297 O TRP A 116 -12.080 2.457 -5.470 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.528 4.557 -3.407 1.00 0.00 C ATOM 1299 CG TRP A 116 -13.606 5.314 -2.106 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -14.087 6.581 -1.915 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.139 4.867 -0.827 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -13.951 6.941 -0.593 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -13.373 5.905 0.092 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.544 3.686 -0.372 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -13.036 5.796 1.441 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.209 3.580 0.963 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -12.456 4.627 1.856 1.00 0.00 C ATOM 0 H TRP A 116 -11.594 6.103 -3.383 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.873 3.244 -3.076 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.890 5.189 -4.218 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.185 3.689 -3.362 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -14.511 7.206 -2.687 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -14.234 7.834 -0.189 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -12.350 2.871 -1.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -13.225 6.604 2.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.748 2.672 1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -12.184 4.511 2.895 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.610 4.585 -6.038 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.398 4.281 -7.450 1.00 0.00 C ATOM 1320 C GLU A 117 -10.187 3.360 -7.615 1.00 0.00 C ATOM 1321 O GLU A 117 -10.281 2.286 -8.222 1.00 0.00 O ATOM 1322 CB GLU A 117 -11.196 5.571 -8.258 1.00 0.00 C ATOM 1323 CG GLU A 117 -12.235 6.652 -7.975 1.00 0.00 C ATOM 1324 CD GLU A 117 -13.668 6.145 -8.062 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -14.199 6.037 -9.188 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -14.274 5.865 -7.001 1.00 0.00 O ATOM 0 H GLU A 117 -11.482 5.567 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.284 3.772 -7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.205 5.970 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.219 5.329 -9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.061 7.062 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.102 7.469 -8.684 1.00 0.00 H new ATOM 1333 N ILE A 118 -9.052 3.779 -7.052 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.826 2.986 -7.125 1.00 0.00 C ATOM 1335 C ILE A 118 -8.032 1.636 -6.436 1.00 0.00 C ATOM 1336 O ILE A 118 -7.568 0.609 -6.926 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.606 3.734 -6.510 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.323 2.892 -6.641 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.859 4.108 -5.053 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.081 3.587 -6.117 1.00 0.00 C ATOM 0 H ILE A 118 -8.957 4.658 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.602 2.821 -8.179 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.469 4.658 -7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.458 1.954 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.171 2.638 -7.690 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.988 4.628 -4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.731 4.759 -4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.039 3.204 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.218 2.933 -6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.920 4.511 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.211 3.817 -5.059 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.769 1.642 -5.319 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.107 0.410 -4.603 1.00 0.00 C ATOM 1354 C LYS A 119 -9.758 -0.603 -5.544 1.00 0.00 C ATOM 1355 O LYS A 119 -9.291 -1.740 -5.682 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.063 0.717 -3.440 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.594 -0.527 -2.726 1.00 0.00 C ATOM 1358 CD LYS A 119 -11.564 -0.174 -1.600 1.00 0.00 C ATOM 1359 CE LYS A 119 -12.795 0.580 -2.103 1.00 0.00 C ATOM 1360 NZ LYS A 119 -13.580 -0.208 -3.092 1.00 0.00 N ATOM 0 H LYS A 119 -9.143 2.490 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.184 -0.017 -4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.547 1.347 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -10.907 1.294 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -11.096 -1.172 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.758 -1.095 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.882 -1.088 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -11.048 0.434 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.433 0.834 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.481 1.519 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.401 0.159 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.294 -1.207 -3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -14.594 -0.127 -2.874 1.00 0.00 H new ATOM 1374 N ASP A 120 -10.837 -0.181 -6.198 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.565 -1.058 -7.104 1.00 0.00 C ATOM 1376 C ASP A 120 -10.696 -1.453 -8.291 1.00 0.00 C ATOM 1377 O ASP A 120 -10.812 -2.568 -8.806 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.878 -0.412 -7.567 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.941 -0.449 -6.479 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -13.937 0.439 -5.601 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -14.773 -1.379 -6.479 1.00 0.00 O ATOM 0 H ASP A 120 -11.224 0.759 -6.117 1.00 0.00 H new ATOM 0 HA ASP A 120 -11.821 -1.966 -6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -12.692 0.622 -7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -13.246 -0.931 -8.452 1.00 0.00 H new ATOM 1386 N PHE A 121 -9.785 -0.567 -8.698 1.00 0.00 N ATOM 1387 CA PHE A 121 -8.856 -0.878 -9.779 1.00 0.00 C ATOM 1388 C PHE A 121 -7.926 -2.015 -9.359 1.00 0.00 C ATOM 1389 O PHE A 121 -7.566 -2.872 -10.169 1.00 0.00 O ATOM 1390 CB PHE A 121 -8.039 0.366 -10.163 1.00 0.00 C ATOM 1391 CG PHE A 121 -6.930 0.087 -11.152 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.219 -0.200 -12.479 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.601 0.104 -10.750 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.206 -0.466 -13.382 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.585 -0.161 -11.650 1.00 0.00 C ATOM 1396 CZ PHE A 121 -4.888 -0.446 -12.965 1.00 0.00 C ATOM 0 H PHE A 121 -9.673 0.364 -8.297 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.429 -1.195 -10.651 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.710 1.114 -10.586 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.608 0.799 -9.260 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.247 -0.216 -12.810 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.358 0.327 -9.722 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.444 -0.689 -14.412 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.556 -0.145 -11.324 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.096 -0.654 -13.669 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.546 -2.019 -8.083 1.00 0.00 N ATOM 1407 CA LEU A 122 -6.692 -3.068 -7.538 1.00 0.00 C ATOM 1408 C LEU A 122 -7.439 -4.401 -7.516 1.00 0.00 C ATOM 1409 O LEU A 122 -6.906 -5.432 -7.936 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.218 -2.704 -6.120 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.460 -1.371 -5.993 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -5.063 -1.108 -4.541 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -4.234 -1.349 -6.904 1.00 0.00 C ATOM 0 H LEU A 122 -7.818 -1.305 -7.407 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.816 -3.163 -8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.087 -2.671 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.573 -3.504 -5.755 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.130 -0.572 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.528 -0.160 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.959 -1.063 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.418 -1.913 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.717 -0.396 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.561 -2.161 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.548 -1.474 -7.940 1.00 0.00 H new ATOM 1425 N VAL A 123 -8.684 -4.372 -7.038 1.00 0.00 N ATOM 1426 CA VAL A 123 -9.493 -5.590 -6.919 1.00 0.00 C ATOM 1427 C VAL A 123 -10.155 -5.960 -8.252 1.00 0.00 C ATOM 1428 O VAL A 123 -10.809 -6.998 -8.367 1.00 0.00 O ATOM 1429 CB VAL A 123 -10.579 -5.453 -5.820 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -9.955 -5.014 -4.497 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -11.690 -4.494 -6.246 1.00 0.00 C ATOM 0 H VAL A 123 -9.155 -3.522 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 123 -8.808 -6.389 -6.634 1.00 0.00 H new ATOM 0 HB VAL A 123 -11.032 -6.434 -5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -10.734 -4.924 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -9.222 -5.754 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -9.464 -4.050 -4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -12.433 -4.422 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.266 -3.508 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -12.164 -4.867 -7.154 1.00 0.00 H new ATOM 1441 N SER A 124 -9.982 -5.101 -9.256 1.00 0.00 N ATOM 1442 CA SER A 124 -10.488 -5.346 -10.611 1.00 0.00 C ATOM 1443 C SER A 124 -9.714 -6.478 -11.314 1.00 0.00 C ATOM 1444 O SER A 124 -10.002 -6.813 -12.465 1.00 0.00 O ATOM 1445 CB SER A 124 -10.404 -4.051 -11.437 1.00 0.00 C ATOM 1446 OG SER A 124 -11.045 -4.188 -12.695 1.00 0.00 O ATOM 0 H SER A 124 -9.487 -4.215 -9.155 1.00 0.00 H new ATOM 0 HA SER A 124 -11.528 -5.662 -10.531 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.865 -3.234 -10.881 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.358 -3.783 -11.589 1.00 0.00 H new ATOM 0 HG SER A 124 -10.911 -5.098 -13.033 1.00 0.00 H new ATOM 1452 N GLN A 125 -8.748 -7.074 -10.616 1.00 0.00 N ATOM 1453 CA GLN A 125 -7.864 -8.071 -11.220 1.00 0.00 C ATOM 1454 C GLN A 125 -8.506 -9.460 -11.227 1.00 0.00 C ATOM 1455 O GLN A 125 -9.214 -9.836 -10.293 1.00 0.00 O ATOM 1456 CB GLN A 125 -6.511 -8.106 -10.489 1.00 0.00 C ATOM 1457 CG GLN A 125 -5.442 -7.225 -11.130 1.00 0.00 C ATOM 1458 CD GLN A 125 -5.918 -5.811 -11.415 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -5.735 -4.921 -10.454 1.00 0.00 O flip ATOM 1460 NE2 GLN A 125 -6.436 -5.521 -12.496 1.00 0.00 N flip ATOM 0 H GLN A 125 -8.557 -6.884 -9.632 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.695 -7.779 -12.256 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.658 -7.790 -9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.151 -9.134 -10.459 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.574 -7.183 -10.472 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.113 -7.685 -12.062 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -6.559 -6.238 -13.211 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.741 -4.564 -12.675 1.00 0.00 H new ATOM 1469 N ASP A 126 -8.245 -10.199 -12.309 1.00 0.00 N ATOM 1470 CA ASP A 126 -8.763 -11.557 -12.501 1.00 0.00 C ATOM 1471 C ASP A 126 -8.645 -12.402 -11.231 1.00 0.00 C ATOM 1472 O ASP A 126 -9.652 -12.839 -10.673 1.00 0.00 O ATOM 1473 CB ASP A 126 -8.023 -12.258 -13.653 1.00 0.00 C ATOM 1474 CG ASP A 126 -8.332 -11.653 -15.013 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -7.741 -10.603 -15.351 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -9.164 -12.226 -15.755 1.00 0.00 O ATOM 0 H ASP A 126 -7.665 -9.870 -13.081 1.00 0.00 H new ATOM 0 HA ASP A 126 -9.821 -11.462 -12.747 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.949 -12.205 -13.473 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.293 -13.314 -13.662 1.00 0.00 H new ATOM 1481 N ARG A 127 -7.415 -12.626 -10.774 1.00 0.00 N ATOM 1482 CA ARG A 127 -7.166 -13.502 -9.626 1.00 0.00 C ATOM 1483 C ARG A 127 -7.412 -12.790 -8.286 1.00 0.00 C ATOM 1484 O ARG A 127 -6.913 -13.227 -7.247 1.00 0.00 O ATOM 1485 CB ARG A 127 -5.730 -14.058 -9.688 1.00 0.00 C ATOM 1486 CG ARG A 127 -5.537 -15.334 -8.874 1.00 0.00 C ATOM 1487 CD ARG A 127 -4.127 -15.903 -9.003 1.00 0.00 C ATOM 1488 NE ARG A 127 -4.058 -17.269 -8.475 1.00 0.00 N ATOM 1489 CZ ARG A 127 -2.929 -17.921 -8.194 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -1.751 -17.333 -8.339 1.00 0.00 N ATOM 1491 NH2 ARG A 127 -2.989 -19.171 -7.760 1.00 0.00 N ATOM 0 H ARG A 127 -6.574 -12.214 -11.179 1.00 0.00 H new ATOM 0 HA ARG A 127 -7.876 -14.328 -9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.470 -14.257 -10.728 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -5.038 -13.297 -9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -5.747 -15.127 -7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -6.259 -16.082 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -3.824 -15.899 -10.050 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -3.424 -15.266 -8.466 1.00 0.00 H new ATOM 0 HE ARG A 127 -4.939 -17.757 -8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -1.699 -16.369 -8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.896 -17.844 -8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -3.894 -19.627 -7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -2.131 -19.677 -7.543 1.00 0.00 H new ATOM 1505 N CYS A 128 -8.198 -11.711 -8.317 1.00 0.00 N ATOM 1506 CA CYS A 128 -8.610 -10.996 -7.105 1.00 0.00 C ATOM 1507 C CYS A 128 -7.441 -10.229 -6.471 1.00 0.00 C ATOM 1508 O CYS A 128 -6.389 -10.059 -7.093 1.00 0.00 O ATOM 1509 CB CYS A 128 -9.229 -11.976 -6.094 1.00 0.00 C ATOM 1510 SG CYS A 128 -10.586 -12.968 -6.766 1.00 0.00 S ATOM 0 H CYS A 128 -8.566 -11.309 -9.179 1.00 0.00 H new ATOM 0 HA CYS A 128 -9.362 -10.261 -7.391 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -8.450 -12.645 -5.728 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -9.595 -11.413 -5.235 1.00 0.00 H new ATOM 0 HG CYS A 128 -11.041 -13.763 -5.843 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.655 -9.777 -5.228 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.688 -8.965 -4.482 1.00 0.00 C ATOM 1518 C ALA A 129 -7.333 -8.455 -3.192 1.00 0.00 C ATOM 1519 O ALA A 129 -8.341 -7.748 -3.242 1.00 0.00 O ATOM 1520 CB ALA A 129 -6.197 -7.781 -5.317 1.00 0.00 C ATOM 0 H ALA A 129 -8.512 -9.967 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.828 -9.591 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.482 -7.198 -4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.715 -8.149 -6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.044 -7.150 -5.587 1.00 0.00 H new ATOM 1526 N GLU A 130 -6.770 -8.823 -2.044 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.300 -8.374 -0.757 1.00 0.00 C ATOM 1528 C GLU A 130 -6.690 -7.029 -0.377 1.00 0.00 C ATOM 1529 O GLU A 130 -5.514 -6.778 -0.645 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.019 -9.401 0.347 1.00 0.00 C ATOM 1531 CG GLU A 130 -7.618 -10.777 0.086 1.00 0.00 C ATOM 1532 CD GLU A 130 -7.607 -11.659 1.327 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -6.550 -12.237 1.656 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -8.665 -11.770 1.989 1.00 0.00 O ATOM 0 H GLU A 130 -5.951 -9.428 -1.977 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.380 -8.266 -0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -5.940 -9.503 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.410 -9.020 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.643 -10.663 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.060 -11.268 -0.711 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.482 -6.171 0.258 1.00 0.00 N ATOM 1542 CA VAL A 131 -7.026 -4.835 0.624 1.00 0.00 C ATOM 1543 C VAL A 131 -7.504 -4.449 2.025 1.00 0.00 C ATOM 1544 O VAL A 131 -8.634 -4.754 2.416 1.00 0.00 O ATOM 1545 CB VAL A 131 -7.505 -3.776 -0.409 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -9.032 -3.732 -0.488 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -6.932 -2.393 -0.083 1.00 0.00 C ATOM 0 H VAL A 131 -8.443 -6.377 0.530 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.936 -4.855 0.623 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.130 -4.073 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -9.337 -2.983 -1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -9.409 -4.709 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -9.440 -3.473 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.282 -1.671 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -7.262 -2.087 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.843 -2.436 -0.106 1.00 0.00 H new ATOM 1557 N THR A 132 -6.624 -3.798 2.779 1.00 0.00 N ATOM 1558 CA THR A 132 -6.937 -3.298 4.114 1.00 0.00 C ATOM 1559 C THR A 132 -6.335 -1.904 4.286 1.00 0.00 C ATOM 1560 O THR A 132 -5.233 -1.646 3.802 1.00 0.00 O ATOM 1561 CB THR A 132 -6.393 -4.246 5.213 1.00 0.00 C ATOM 1562 OG1 THR A 132 -5.029 -4.593 4.931 1.00 0.00 O ATOM 1563 CG2 THR A 132 -7.233 -5.517 5.315 1.00 0.00 C ATOM 0 H THR A 132 -5.669 -3.601 2.480 1.00 0.00 H new ATOM 0 HA THR A 132 -8.021 -3.251 4.219 1.00 0.00 H new ATOM 0 HB THR A 132 -6.449 -3.720 6.166 1.00 0.00 H new ATOM 0 HG1 THR A 132 -4.692 -5.191 5.631 1.00 0.00 H new ATOM 0 HG21 THR A 132 -6.826 -6.161 6.095 1.00 0.00 H new ATOM 0 HG22 THR A 132 -8.262 -5.254 5.562 1.00 0.00 H new ATOM 0 HG23 THR A 132 -7.212 -6.044 4.361 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.062 -1.001 4.939 1.00 0.00 N ATOM 1572 CA LEU A 133 -6.610 0.382 5.098 1.00 0.00 C ATOM 1573 C LEU A 133 -5.752 0.542 6.355 1.00 0.00 C ATOM 1574 O LEU A 133 -5.881 -0.233 7.308 1.00 0.00 O ATOM 1575 CB LEU A 133 -7.826 1.321 5.169 1.00 0.00 C ATOM 1576 CG LEU A 133 -8.830 1.184 4.008 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -10.016 2.128 4.197 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -8.150 1.440 2.664 1.00 0.00 C ATOM 0 H LEU A 133 -7.966 -1.200 5.367 1.00 0.00 H new ATOM 0 HA LEU A 133 -5.997 0.643 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.352 1.138 6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.469 2.350 5.200 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.205 0.160 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.710 2.012 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.526 1.889 5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.660 3.158 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -8.880 1.337 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.737 2.449 2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.347 0.717 2.519 1.00 0.00 H new ATOM 1590 N GLU A 134 -4.876 1.544 6.342 1.00 0.00 N ATOM 1591 CA GLU A 134 -4.039 1.866 7.496 1.00 0.00 C ATOM 1592 C GLU A 134 -4.921 2.425 8.611 1.00 0.00 C ATOM 1593 O GLU A 134 -5.831 3.208 8.350 1.00 0.00 O ATOM 1594 CB GLU A 134 -2.944 2.870 7.081 1.00 0.00 C ATOM 1595 CG GLU A 134 -1.757 2.966 8.042 1.00 0.00 C ATOM 1596 CD GLU A 134 -2.026 3.819 9.275 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -2.006 5.066 9.155 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -2.246 3.247 10.364 1.00 0.00 O ATOM 0 H GLU A 134 -4.727 2.152 5.537 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.543 0.969 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -2.572 2.592 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.395 3.858 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -1.479 1.962 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -0.902 3.379 7.507 1.00 0.00 H new