USER MOD reduce.3.24.130724 H: found=0, std=0, add=1339, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 SER OG : rot 180:sc= -0.155 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.969 K(o=-0.97,f=-0.19) USER MOD Single : A 15 MET CE :methyl -157:sc= -1.11 (180deg=-1.43) USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= 0.402 (180deg=0.113) USER MOD Single : A 22 SER OG : rot -105:sc= 1.23 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 141:sc= 0.501 (180deg=0.0329) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= -0.183 (180deg=-1.07) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.26) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 0.876 (180deg=0.14) USER MOD Single : A 54 LYS NZ :NH3+ -128:sc= -1.79 (180deg=-4.36!) USER MOD Single : A 64 LYS NZ :NH3+ -138:sc= -2.55 (180deg=-4.91!) USER MOD Single : A 66 THR OG1 : rot 72:sc= 0.976 USER MOD Single : A 67 CYS SG : rot -54:sc= 1.27 USER MOD Single : A 70 ASN : amide:sc= -1.88! C(o=-1.9!,f=-7.5!) USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= -0.0419 (180deg=-0.468) USER MOD Single : A 73 GLN : amide:sc= -4.45! C(o=-4.5!,f=-3.9!) USER MOD Single : A 74 SER OG : rot 76:sc= 0.398 USER MOD Single : A 77 CYS SG : rot -16:sc= -0.67 USER MOD Single : A 80 CYS SG : rot -130:sc= -1.42 USER MOD Single : A 85 CYS SG : rot 80:sc= -1.08 USER MOD Single : B 4 SER OG : rot 180:sc= -0.196 USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-0.23) USER MOD Single : B 15 MET CE :methyl -157:sc= -1.1 (180deg=-1.4) USER MOD Single : B 18 LYS NZ :NH3+ -163:sc= 0.442 (180deg=0.21) USER MOD Single : B 22 SER OG : rot -81:sc= 1.25 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 141:sc= 0.506 (180deg=0.0342) USER MOD Single : B 41 LYS NZ :NH3+ 155:sc= -0.198 (180deg=-1.02) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.27) USER MOD Single : B 53 LYS NZ :NH3+ 160:sc= 0.401 (180deg=-0.14) USER MOD Single : B 54 LYS NZ :NH3+ -129:sc= -1.87 (180deg=-4.42!) USER MOD Single : B 64 LYS NZ :NH3+ -136:sc= -2.46 (180deg=-4.67!) USER MOD Single : B 66 THR OG1 : rot 72:sc= 0.928 USER MOD Single : B 67 CYS SG : rot -56:sc= 1.27 USER MOD Single : B 70 ASN : amide:sc= -1.63 K(o=-1.6,f=-7.3!) USER MOD Single : B 72 LYS NZ :NH3+ 160:sc= -0.0487 (180deg=-0.483) USER MOD Single : B 73 GLN : amide:sc= -4.36! C(o=-4.4!,f=-4!) USER MOD Single : B 74 SER OG : rot 76:sc= 0.419 USER MOD Single : B 77 CYS SG : rot -16:sc= -0.598 USER MOD Single : B 80 CYS SG : rot -130:sc= -1.41 USER MOD Single : B 85 CYS SG : rot 80:sc= -1.11 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 121.233 -10.864 4.778 1.00 0.63 N ATOM 49 CA SER A 4 121.121 -12.191 4.111 1.00 0.61 C ATOM 50 C SER A 4 122.431 -12.966 4.291 1.00 0.60 C ATOM 51 O SER A 4 123.407 -12.456 4.804 1.00 0.57 O ATOM 52 CB SER A 4 120.856 -11.982 2.620 1.00 0.63 C ATOM 53 OG SER A 4 120.627 -13.240 2.001 1.00 1.51 O ATOM 0 HA SER A 4 120.302 -12.756 4.555 1.00 0.61 H new ATOM 0 HB2 SER A 4 119.992 -11.333 2.480 1.00 0.63 H new ATOM 0 HB3 SER A 4 121.707 -11.485 2.154 1.00 0.63 H new ATOM 0 HG SER A 4 120.455 -13.108 1.045 1.00 1.51 H new ATOM 59 N GLN A 5 122.443 -14.205 3.877 1.00 0.63 N ATOM 60 CA GLN A 5 123.667 -15.047 4.018 1.00 0.64 C ATOM 61 C GLN A 5 124.864 -14.353 3.371 1.00 0.60 C ATOM 62 O GLN A 5 126.001 -14.686 3.636 1.00 0.59 O ATOM 63 CB GLN A 5 123.444 -16.389 3.317 1.00 0.71 C ATOM 64 CG GLN A 5 122.421 -17.219 4.092 1.00 1.34 C ATOM 65 CD GLN A 5 122.168 -18.528 3.341 1.00 1.60 C ATOM 66 OE1 GLN A 5 122.307 -18.585 2.136 1.00 2.09 O ATOM 67 NE2 GLN A 5 121.804 -19.589 4.005 1.00 2.18 N ATOM 0 H GLN A 5 121.649 -14.675 3.443 1.00 0.63 H new ATOM 0 HA GLN A 5 123.865 -15.201 5.079 1.00 0.64 H new ATOM 0 HB2 GLN A 5 123.093 -16.223 2.298 1.00 0.71 H new ATOM 0 HB3 GLN A 5 124.386 -16.932 3.245 1.00 0.71 H new ATOM 0 HG2 GLN A 5 122.789 -17.427 5.097 1.00 1.34 H new ATOM 0 HG3 GLN A 5 121.490 -16.662 4.202 1.00 1.34 H new ATOM 0 HE21 GLN A 5 121.687 -19.542 5.017 1.00 2.18 H new ATOM 0 HE22 GLN A 5 121.636 -20.466 3.512 1.00 2.18 H new ATOM 76 N LYS A 6 124.623 -13.403 2.508 1.00 0.59 N ATOM 77 CA LYS A 6 125.751 -12.707 1.831 1.00 0.57 C ATOM 78 C LYS A 6 126.644 -12.033 2.875 1.00 0.51 C ATOM 79 O LYS A 6 127.849 -11.984 2.731 1.00 0.50 O ATOM 80 CB LYS A 6 125.190 -11.645 0.883 1.00 0.58 C ATOM 81 CG LYS A 6 124.432 -12.329 -0.257 1.00 0.65 C ATOM 82 CD LYS A 6 123.870 -11.269 -1.206 1.00 0.81 C ATOM 83 CE LYS A 6 123.112 -11.952 -2.347 1.00 1.26 C ATOM 84 NZ LYS A 6 122.890 -10.976 -3.450 1.00 2.02 N ATOM 0 H LYS A 6 123.692 -13.080 2.243 1.00 0.59 H new ATOM 0 HA LYS A 6 126.339 -13.432 1.268 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.524 -10.973 1.425 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.000 -11.036 0.482 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.098 -13.001 -0.799 1.00 0.65 H new ATOM 0 HG3 LYS A 6 123.622 -12.938 0.145 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.204 -10.598 -0.664 1.00 0.81 H new ATOM 0 HD3 LYS A 6 124.680 -10.660 -1.607 1.00 0.81 H new ATOM 0 HE2 LYS A 6 123.679 -12.808 -2.713 1.00 1.26 H new ATOM 0 HE3 LYS A 6 122.157 -12.333 -1.986 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 122.375 -11.440 -4.225 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 122.332 -10.173 -3.096 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 123.807 -10.633 -3.800 1.00 2.02 H new ATOM 98 N HIS A 7 126.069 -11.497 3.917 1.00 0.49 N ATOM 99 CA HIS A 7 126.901 -10.812 4.947 1.00 0.45 C ATOM 100 C HIS A 7 127.913 -11.786 5.557 1.00 0.45 C ATOM 101 O HIS A 7 129.091 -11.500 5.628 1.00 0.43 O ATOM 102 CB HIS A 7 125.987 -10.265 6.051 1.00 0.45 C ATOM 103 CG HIS A 7 126.810 -9.759 7.209 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.078 -8.410 7.406 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.429 -10.418 8.243 1.00 0.45 C ATOM 106 CE1 HIS A 7 127.826 -8.305 8.523 1.00 0.38 C ATOM 107 NE2 HIS A 7 128.066 -9.497 9.067 1.00 0.42 N ATOM 0 H HIS A 7 125.065 -11.503 4.099 1.00 0.49 H new ATOM 0 HA HIS A 7 127.446 -9.995 4.475 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.370 -9.459 5.655 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.309 -11.047 6.392 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.422 -11.488 8.393 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.186 -7.370 8.927 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.604 -9.693 9.911 1.00 0.42 H new ATOM 115 N ARG A 8 127.468 -12.935 6.003 1.00 0.48 N ATOM 116 CA ARG A 8 128.402 -13.923 6.608 1.00 0.50 C ATOM 117 C ARG A 8 129.309 -14.508 5.529 1.00 0.51 C ATOM 118 O ARG A 8 130.454 -14.831 5.773 1.00 0.51 O ATOM 119 CB ARG A 8 127.601 -15.055 7.269 1.00 0.55 C ATOM 120 CG ARG A 8 126.908 -14.557 8.555 1.00 0.57 C ATOM 121 CD ARG A 8 125.556 -13.918 8.221 1.00 1.00 C ATOM 122 NE ARG A 8 124.872 -13.530 9.488 1.00 1.69 N ATOM 123 CZ ARG A 8 123.836 -12.738 9.457 1.00 2.27 C ATOM 124 NH1 ARG A 8 123.390 -12.291 8.315 1.00 2.42 N ATOM 125 NH2 ARG A 8 123.246 -12.392 10.569 1.00 3.21 N ATOM 0 H ARG A 8 126.492 -13.229 5.972 1.00 0.48 H new ATOM 0 HA ARG A 8 129.012 -13.421 7.359 1.00 0.50 H new ATOM 0 HB2 ARG A 8 126.854 -15.434 6.571 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.265 -15.886 7.507 1.00 0.55 H new ATOM 0 HG2 ARG A 8 126.764 -15.390 9.243 1.00 0.57 H new ATOM 0 HG3 ARG A 8 127.545 -13.832 9.061 1.00 0.57 H new ATOM 0 HD2 ARG A 8 125.700 -13.042 7.588 1.00 1.00 H new ATOM 0 HD3 ARG A 8 124.938 -14.618 7.659 1.00 1.00 H new ATOM 0 HE ARG A 8 125.215 -13.885 10.381 1.00 1.69 H new ATOM 0 HH11 ARG A 8 123.852 -12.561 7.446 1.00 2.42 H new ATOM 0 HH12 ARG A 8 122.580 -11.672 8.291 1.00 2.42 H new ATOM 0 HH21 ARG A 8 123.595 -12.741 11.462 1.00 3.21 H new ATOM 0 HH22 ARG A 8 122.436 -11.773 10.545 1.00 3.21 H new ATOM 139 N ASP A 9 128.807 -14.651 4.340 1.00 0.52 N ATOM 140 CA ASP A 9 129.638 -15.219 3.249 1.00 0.54 C ATOM 141 C ASP A 9 130.731 -14.219 2.873 1.00 0.49 C ATOM 142 O ASP A 9 131.856 -14.584 2.599 1.00 0.49 O ATOM 143 CB ASP A 9 128.766 -15.503 2.028 1.00 0.61 C ATOM 144 CG ASP A 9 127.834 -16.678 2.326 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.112 -17.408 3.263 1.00 0.67 O ATOM 146 OD2 ASP A 9 126.857 -16.832 1.609 1.00 0.76 O ATOM 0 H ASP A 9 127.855 -14.399 4.075 1.00 0.52 H new ATOM 0 HA ASP A 9 130.093 -16.150 3.589 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.182 -14.619 1.772 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.393 -15.732 1.166 1.00 0.61 H new ATOM 151 N PHE A 10 130.397 -12.960 2.843 1.00 0.46 N ATOM 152 CA PHE A 10 131.407 -11.931 2.468 1.00 0.43 C ATOM 153 C PHE A 10 132.544 -11.896 3.498 1.00 0.38 C ATOM 154 O PHE A 10 133.706 -11.899 3.148 1.00 0.36 O ATOM 155 CB PHE A 10 130.723 -10.563 2.408 1.00 0.45 C ATOM 156 CG PHE A 10 131.667 -9.550 1.810 1.00 0.43 C ATOM 157 CD1 PHE A 10 131.742 -9.409 0.421 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.459 -8.749 2.641 1.00 0.43 C ATOM 159 CE1 PHE A 10 132.610 -8.467 -0.140 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.328 -7.805 2.079 1.00 0.43 C ATOM 161 CZ PHE A 10 133.402 -7.665 0.688 1.00 0.43 C ATOM 0 H PHE A 10 129.469 -12.598 3.062 1.00 0.46 H new ATOM 0 HA PHE A 10 131.830 -12.180 1.495 1.00 0.43 H new ATOM 0 HB2 PHE A 10 129.814 -10.626 1.809 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.425 -10.250 3.409 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.130 -10.027 -0.219 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.400 -8.859 3.714 1.00 0.43 H new ATOM 0 HE1 PHE A 10 132.669 -8.359 -1.213 1.00 0.44 H new ATOM 0 HE2 PHE A 10 133.940 -7.186 2.718 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.071 -6.937 0.254 1.00 0.43 H new ATOM 171 N VAL A 11 132.221 -11.847 4.763 1.00 0.37 N ATOM 172 CA VAL A 11 133.288 -11.796 5.809 1.00 0.35 C ATOM 173 C VAL A 11 133.794 -13.208 6.128 1.00 0.37 C ATOM 174 O VAL A 11 134.527 -13.408 7.076 1.00 0.38 O ATOM 175 CB VAL A 11 132.720 -11.161 7.079 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.174 -9.770 6.753 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.592 -12.037 7.622 1.00 0.40 C ATOM 0 H VAL A 11 131.265 -11.840 5.119 1.00 0.37 H new ATOM 0 HA VAL A 11 134.121 -11.201 5.435 1.00 0.35 H new ATOM 0 HB VAL A 11 133.507 -11.075 7.828 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.769 -9.317 7.658 1.00 0.44 H new ATOM 0 HG12 VAL A 11 132.978 -9.146 6.363 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.385 -9.855 6.005 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.185 -11.587 8.527 1.00 0.40 H new ATOM 0 HG22 VAL A 11 130.804 -12.121 6.873 1.00 0.40 H new ATOM 0 HG23 VAL A 11 131.981 -13.029 7.853 1.00 0.40 H new ATOM 187 N ALA A 12 133.428 -14.185 5.333 1.00 0.41 N ATOM 188 CA ALA A 12 133.905 -15.589 5.572 1.00 0.48 C ATOM 189 C ALA A 12 134.920 -15.982 4.498 1.00 0.46 C ATOM 190 O ALA A 12 135.607 -16.978 4.617 1.00 0.49 O ATOM 191 CB ALA A 12 132.720 -16.553 5.519 1.00 0.54 C ATOM 0 H ALA A 12 132.817 -14.072 4.524 1.00 0.41 H new ATOM 0 HA ALA A 12 134.375 -15.641 6.554 1.00 0.48 H new ATOM 0 HB1 ALA A 12 133.071 -17.570 5.693 1.00 0.54 H new ATOM 0 HB2 ALA A 12 131.996 -16.282 6.288 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.247 -16.495 4.539 1.00 0.54 H new ATOM 197 N GLU A 13 135.026 -15.210 3.449 1.00 0.43 N ATOM 198 CA GLU A 13 136.005 -15.543 2.371 1.00 0.43 C ATOM 199 C GLU A 13 136.392 -14.260 1.619 1.00 0.40 C ATOM 200 O GLU A 13 135.597 -13.346 1.517 1.00 0.37 O ATOM 201 CB GLU A 13 135.363 -16.535 1.391 1.00 0.46 C ATOM 202 CG GLU A 13 133.904 -16.134 1.130 1.00 0.48 C ATOM 203 CD GLU A 13 133.417 -16.770 -0.175 1.00 0.61 C ATOM 204 OE1 GLU A 13 133.696 -17.938 -0.382 1.00 1.26 O ATOM 205 OE2 GLU A 13 132.773 -16.075 -0.945 1.00 1.05 O ATOM 0 H GLU A 13 134.478 -14.364 3.291 1.00 0.43 H new ATOM 0 HA GLU A 13 136.896 -15.990 2.812 1.00 0.43 H new ATOM 0 HB2 GLU A 13 135.920 -16.547 0.454 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.405 -17.544 1.800 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.275 -16.456 1.959 1.00 0.48 H new ATOM 0 HG3 GLU A 13 133.821 -15.049 1.070 1.00 0.48 H new ATOM 212 N PRO A 14 137.583 -14.188 1.066 1.00 0.42 N ATOM 213 CA PRO A 14 138.016 -12.992 0.291 1.00 0.40 C ATOM 214 C PRO A 14 136.885 -12.485 -0.616 1.00 0.36 C ATOM 215 O PRO A 14 135.982 -13.225 -0.953 1.00 0.36 O ATOM 216 CB PRO A 14 139.194 -13.513 -0.543 1.00 0.45 C ATOM 217 CG PRO A 14 139.780 -14.637 0.261 1.00 0.49 C ATOM 218 CD PRO A 14 138.638 -15.219 1.114 1.00 0.48 C ATOM 0 HA PRO A 14 138.285 -12.149 0.928 1.00 0.40 H new ATOM 0 HB2 PRO A 14 138.861 -13.861 -1.521 1.00 0.45 H new ATOM 0 HB3 PRO A 14 139.930 -12.728 -0.718 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.202 -15.401 -0.393 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.591 -14.277 0.895 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.285 -16.168 0.711 1.00 0.48 H new ATOM 0 HD3 PRO A 14 138.963 -15.408 2.137 1.00 0.48 H new ATOM 226 N MET A 15 136.917 -11.239 -1.017 1.00 0.35 N ATOM 227 CA MET A 15 135.827 -10.717 -1.903 1.00 0.35 C ATOM 228 C MET A 15 136.236 -10.859 -3.373 1.00 0.36 C ATOM 229 O MET A 15 135.403 -10.913 -4.256 1.00 0.39 O ATOM 230 CB MET A 15 135.553 -9.244 -1.588 1.00 0.37 C ATOM 231 CG MET A 15 136.861 -8.450 -1.571 1.00 0.41 C ATOM 232 SD MET A 15 136.486 -6.693 -1.822 1.00 0.57 S ATOM 233 CE MET A 15 136.849 -6.104 -0.150 1.00 0.43 C ATOM 0 H MET A 15 137.642 -10.565 -0.773 1.00 0.35 H new ATOM 0 HA MET A 15 134.921 -11.296 -1.723 1.00 0.35 H new ATOM 0 HB2 MET A 15 134.876 -8.826 -2.333 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.056 -9.159 -0.622 1.00 0.37 H new ATOM 0 HG2 MET A 15 137.377 -8.593 -0.621 1.00 0.41 H new ATOM 0 HG3 MET A 15 137.530 -8.808 -2.354 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.315 -5.171 0.031 1.00 0.43 H new ATOM 0 HE2 MET A 15 136.530 -6.852 0.576 1.00 0.43 H new ATOM 0 HE3 MET A 15 137.921 -5.934 -0.049 1.00 0.43 H new ATOM 243 N GLY A 16 137.512 -10.929 -3.639 1.00 0.37 N ATOM 244 CA GLY A 16 137.980 -11.076 -5.049 1.00 0.40 C ATOM 245 C GLY A 16 137.459 -9.913 -5.897 1.00 0.40 C ATOM 246 O GLY A 16 137.474 -8.771 -5.481 1.00 0.38 O ATOM 0 H GLY A 16 138.253 -10.891 -2.939 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.069 -11.099 -5.079 1.00 0.40 H new ATOM 0 HA3 GLY A 16 137.630 -12.023 -5.460 1.00 0.40 H new ATOM 250 N GLU A 17 137.022 -10.198 -7.098 1.00 0.41 N ATOM 251 CA GLU A 17 136.524 -9.120 -8.009 1.00 0.42 C ATOM 252 C GLU A 17 134.996 -9.139 -8.057 1.00 0.40 C ATOM 253 O GLU A 17 134.397 -8.766 -9.046 1.00 0.40 O ATOM 254 CB GLU A 17 137.082 -9.361 -9.412 1.00 0.47 C ATOM 255 CG GLU A 17 138.599 -9.163 -9.390 1.00 0.52 C ATOM 256 CD GLU A 17 139.173 -9.429 -10.782 1.00 0.57 C ATOM 257 OE1 GLU A 17 138.415 -9.838 -11.646 1.00 0.76 O ATOM 258 OE2 GLU A 17 140.363 -9.225 -10.959 1.00 0.85 O ATOM 0 H GLU A 17 136.988 -11.139 -7.490 1.00 0.41 H new ATOM 0 HA GLU A 17 136.853 -8.149 -7.638 1.00 0.42 H new ATOM 0 HB2 GLU A 17 136.840 -10.370 -9.744 1.00 0.47 H new ATOM 0 HB3 GLU A 17 136.623 -8.673 -10.122 1.00 0.47 H new ATOM 0 HG2 GLU A 17 138.838 -8.147 -9.075 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.053 -9.837 -8.664 1.00 0.52 H new ATOM 265 N LYS A 18 134.355 -9.562 -7.002 1.00 0.38 N ATOM 266 CA LYS A 18 132.869 -9.590 -7.007 1.00 0.36 C ATOM 267 C LYS A 18 132.372 -8.153 -7.231 1.00 0.32 C ATOM 268 O LYS A 18 133.037 -7.206 -6.859 1.00 0.31 O ATOM 269 CB LYS A 18 132.367 -10.116 -5.657 1.00 0.36 C ATOM 270 CG LYS A 18 132.643 -11.619 -5.557 1.00 0.45 C ATOM 271 CD LYS A 18 132.179 -12.134 -4.192 1.00 1.17 C ATOM 272 CE LYS A 18 132.370 -13.652 -4.123 1.00 1.44 C ATOM 273 NZ LYS A 18 132.199 -14.110 -2.715 1.00 2.01 N ATOM 0 H LYS A 18 134.795 -9.888 -6.142 1.00 0.38 H new ATOM 0 HA LYS A 18 132.496 -10.243 -7.796 1.00 0.36 H new ATOM 0 HB2 LYS A 18 132.864 -9.590 -4.842 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.299 -9.924 -5.555 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.121 -12.149 -6.354 1.00 0.45 H new ATOM 0 HG3 LYS A 18 133.707 -11.814 -5.688 1.00 0.45 H new ATOM 0 HD2 LYS A 18 132.746 -11.650 -3.397 1.00 1.17 H new ATOM 0 HD3 LYS A 18 131.130 -11.882 -4.034 1.00 1.17 H new ATOM 0 HE2 LYS A 18 131.647 -14.150 -4.769 1.00 1.44 H new ATOM 0 HE3 LYS A 18 133.362 -13.922 -4.487 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 132.676 -15.026 -2.587 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 132.616 -13.410 -2.069 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 131.186 -14.215 -2.505 1.00 2.01 H new ATOM 287 N PRO A 19 131.238 -7.980 -7.867 1.00 0.31 N ATOM 288 CA PRO A 19 130.692 -6.620 -8.175 1.00 0.29 C ATOM 289 C PRO A 19 130.315 -5.821 -6.922 1.00 0.25 C ATOM 290 O PRO A 19 130.134 -6.362 -5.849 1.00 0.24 O ATOM 291 CB PRO A 19 129.455 -6.911 -9.045 1.00 0.32 C ATOM 292 CG PRO A 19 129.049 -8.303 -8.683 1.00 0.33 C ATOM 293 CD PRO A 19 130.346 -9.045 -8.361 1.00 0.34 C ATOM 0 HA PRO A 19 131.434 -5.995 -8.672 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.654 -6.200 -8.843 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.691 -6.832 -10.106 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.375 -8.303 -7.826 1.00 0.33 H new ATOM 0 HG3 PRO A 19 128.518 -8.782 -9.506 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.190 -9.819 -7.609 1.00 0.34 H new ATOM 0 HD3 PRO A 19 130.757 -9.536 -9.243 1.00 0.34 H new ATOM 301 N VAL A 20 130.203 -4.528 -7.067 1.00 0.25 N ATOM 302 CA VAL A 20 129.847 -3.660 -5.911 1.00 0.23 C ATOM 303 C VAL A 20 128.515 -4.110 -5.306 1.00 0.21 C ATOM 304 CB VAL A 20 129.741 -2.205 -6.388 1.00 0.27 C ATOM 305 CG1 VAL A 20 128.700 -2.094 -7.511 1.00 0.32 C ATOM 306 CG2 VAL A 20 129.327 -1.306 -5.215 1.00 0.29 C ATOM 0 H VAL A 20 130.345 -4.032 -7.947 1.00 0.25 H new ATOM 0 HA VAL A 20 130.620 -3.738 -5.147 1.00 0.23 H new ATOM 0 HB VAL A 20 130.711 -1.885 -6.767 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.632 -1.058 -7.843 1.00 0.32 H new ATOM 0 HG12 VAL A 20 128.999 -2.724 -8.348 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.729 -2.421 -7.140 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.253 -0.274 -5.556 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.360 -1.632 -4.830 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.074 -1.373 -4.424 1.00 0.29 H new ATOM 316 N GLY A 21 127.520 -4.295 -6.137 1.00 0.23 N ATOM 317 CA GLY A 21 126.181 -4.716 -5.635 1.00 0.21 C ATOM 318 C GLY A 21 126.301 -6.011 -4.832 1.00 0.20 C ATOM 319 O GLY A 21 125.334 -6.495 -4.278 1.00 0.19 O ATOM 0 H GLY A 21 127.581 -4.171 -7.148 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.755 -3.931 -5.011 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.500 -4.861 -6.473 1.00 0.21 H new ATOM 323 N SER A 22 127.475 -6.574 -4.746 1.00 0.20 N ATOM 324 CA SER A 22 127.635 -7.828 -3.957 1.00 0.20 C ATOM 325 C SER A 22 127.763 -7.460 -2.485 1.00 0.19 C ATOM 326 O SER A 22 127.469 -8.242 -1.603 1.00 0.20 O ATOM 327 CB SER A 22 128.900 -8.551 -4.405 1.00 0.23 C ATOM 328 OG SER A 22 130.029 -7.944 -3.791 1.00 1.24 O ATOM 0 H SER A 22 128.326 -6.222 -5.185 1.00 0.20 H new ATOM 0 HA SER A 22 126.774 -8.478 -4.110 1.00 0.20 H new ATOM 0 HB2 SER A 22 128.846 -9.605 -4.133 1.00 0.23 H new ATOM 0 HB3 SER A 22 128.994 -8.506 -5.490 1.00 0.23 H new ATOM 0 HG SER A 22 130.505 -7.397 -4.450 1.00 1.24 H new ATOM 334 N LEU A 23 128.204 -6.266 -2.220 1.00 0.17 N ATOM 335 CA LEU A 23 128.362 -5.825 -0.808 1.00 0.18 C ATOM 336 C LEU A 23 127.000 -5.823 -0.117 1.00 0.18 C ATOM 337 O LEU A 23 125.995 -5.441 -0.684 1.00 0.17 O ATOM 338 CB LEU A 23 128.958 -4.415 -0.772 1.00 0.18 C ATOM 339 CG LEU A 23 130.414 -4.447 -1.259 1.00 0.21 C ATOM 340 CD1 LEU A 23 130.944 -3.013 -1.363 1.00 0.23 C ATOM 341 CD2 LEU A 23 131.291 -5.256 -0.280 1.00 0.24 C ATOM 0 H LEU A 23 128.463 -5.573 -2.922 1.00 0.17 H new ATOM 0 HA LEU A 23 129.030 -6.512 -0.289 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.370 -3.747 -1.401 1.00 0.18 H new ATOM 0 HB3 LEU A 23 128.914 -4.019 0.242 1.00 0.18 H new ATOM 0 HG LEU A 23 130.452 -4.926 -2.237 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.978 -3.031 -1.708 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.335 -2.450 -2.070 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.897 -2.536 -0.384 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.320 -5.269 -0.639 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.257 -4.793 0.706 1.00 0.24 H new ATOM 0 HD23 LEU A 23 130.916 -6.277 -0.215 1.00 0.24 H new ATOM 353 N ALA A 24 126.974 -6.257 1.105 1.00 0.18 N ATOM 354 CA ALA A 24 125.690 -6.298 1.855 1.00 0.19 C ATOM 355 C ALA A 24 125.169 -4.875 2.089 1.00 0.20 C ATOM 356 O ALA A 24 125.897 -3.981 2.473 1.00 0.20 O ATOM 357 CB ALA A 24 125.908 -6.991 3.199 1.00 0.21 C ATOM 0 H ALA A 24 127.789 -6.587 1.622 1.00 0.18 H new ATOM 0 HA ALA A 24 124.955 -6.852 1.272 1.00 0.19 H new ATOM 0 HB1 ALA A 24 124.968 -7.022 3.749 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.263 -8.008 3.031 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.649 -6.439 3.777 1.00 0.21 H new ATOM 363 N GLY A 25 123.904 -4.676 1.844 1.00 0.20 N ATOM 364 CA GLY A 25 123.292 -3.323 2.028 1.00 0.21 C ATOM 365 C GLY A 25 123.180 -2.640 0.665 1.00 0.21 C ATOM 366 O GLY A 25 122.394 -1.733 0.478 1.00 0.22 O ATOM 0 H GLY A 25 123.259 -5.397 1.521 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.307 -3.414 2.486 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.902 -2.722 2.702 1.00 0.21 H new ATOM 370 N ILE A 26 123.950 -3.084 -0.296 1.00 0.20 N ATOM 371 CA ILE A 26 123.879 -2.482 -1.661 1.00 0.21 C ATOM 372 C ILE A 26 123.029 -3.401 -2.531 1.00 0.23 C ATOM 373 O ILE A 26 123.384 -4.538 -2.768 1.00 0.25 O ATOM 374 CB ILE A 26 125.283 -2.382 -2.264 1.00 0.22 C ATOM 375 CG1 ILE A 26 126.223 -1.656 -1.292 1.00 0.22 C ATOM 376 CG2 ILE A 26 125.215 -1.610 -3.583 1.00 0.25 C ATOM 377 CD1 ILE A 26 125.603 -0.328 -0.843 1.00 0.24 C ATOM 0 H ILE A 26 124.627 -3.840 -0.193 1.00 0.20 H new ATOM 0 HA ILE A 26 123.447 -1.483 -1.607 1.00 0.21 H new ATOM 0 HB ILE A 26 125.667 -3.386 -2.445 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.417 -2.286 -0.424 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.183 -1.472 -1.773 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.214 -1.538 -4.014 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.557 -2.133 -4.277 1.00 0.25 H new ATOM 0 HG23 ILE A 26 124.826 -0.609 -3.399 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.281 0.176 -0.154 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.432 0.306 -1.713 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.654 -0.520 -0.342 1.00 0.24 H new ATOM 389 N GLY A 27 121.909 -2.935 -3.014 1.00 0.24 N ATOM 390 CA GLY A 27 121.053 -3.803 -3.871 1.00 0.28 C ATOM 391 C GLY A 27 121.417 -3.594 -5.341 1.00 0.28 C ATOM 392 O GLY A 27 122.264 -2.792 -5.676 1.00 0.27 O ATOM 0 H GLY A 27 121.551 -1.994 -2.853 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.190 -4.849 -3.598 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.001 -3.566 -3.709 1.00 0.28 H new ATOM 396 N GLU A 28 120.788 -4.325 -6.215 1.00 0.30 N ATOM 397 CA GLU A 28 121.106 -4.185 -7.662 1.00 0.32 C ATOM 398 C GLU A 28 120.912 -2.729 -8.090 1.00 0.32 C ATOM 399 O GLU A 28 121.684 -2.193 -8.861 1.00 0.34 O ATOM 400 CB GLU A 28 120.168 -5.083 -8.472 1.00 0.36 C ATOM 401 CG GLU A 28 120.493 -6.549 -8.182 1.00 0.39 C ATOM 402 CD GLU A 28 119.553 -7.451 -8.984 1.00 1.28 C ATOM 403 OE1 GLU A 28 118.930 -6.952 -9.907 1.00 2.01 O ATOM 404 OE2 GLU A 28 119.463 -8.621 -8.655 1.00 1.65 O ATOM 0 H GLU A 28 120.068 -5.013 -5.991 1.00 0.30 H new ATOM 0 HA GLU A 28 122.141 -4.479 -7.839 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.131 -4.871 -8.214 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.280 -4.878 -9.537 1.00 0.36 H new ATOM 0 HG2 GLU A 28 121.529 -6.761 -8.445 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.387 -6.752 -7.116 1.00 0.39 H new ATOM 411 N VAL A 29 119.889 -2.083 -7.603 1.00 0.31 N ATOM 412 CA VAL A 29 119.656 -0.665 -7.994 1.00 0.33 C ATOM 413 C VAL A 29 120.750 0.218 -7.386 1.00 0.33 C ATOM 414 O VAL A 29 121.272 1.105 -8.030 1.00 0.35 O ATOM 415 CB VAL A 29 118.280 -0.222 -7.490 1.00 0.34 C ATOM 416 CG1 VAL A 29 118.092 1.277 -7.731 1.00 0.38 C ATOM 417 CG2 VAL A 29 117.194 -0.999 -8.242 1.00 0.35 C ATOM 0 H VAL A 29 119.207 -2.474 -6.954 1.00 0.31 H new ATOM 0 HA VAL A 29 119.687 -0.570 -9.079 1.00 0.33 H new ATOM 0 HB VAL A 29 118.206 -0.423 -6.421 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.110 1.583 -7.369 1.00 0.38 H new ATOM 0 HG12 VAL A 29 118.864 1.831 -7.197 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.167 1.486 -8.798 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.212 -0.687 -7.887 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.275 -0.796 -9.310 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.322 -2.067 -8.065 1.00 0.35 H new ATOM 427 N LEU A 30 121.098 -0.015 -6.148 1.00 0.32 N ATOM 428 CA LEU A 30 122.154 0.814 -5.495 1.00 0.32 C ATOM 429 C LEU A 30 123.506 0.519 -6.144 1.00 0.32 C ATOM 430 O LEU A 30 124.308 1.404 -6.368 1.00 0.33 O ATOM 431 CB LEU A 30 122.233 0.473 -4.004 1.00 0.32 C ATOM 432 CG LEU A 30 120.917 0.838 -3.301 1.00 0.35 C ATOM 433 CD1 LEU A 30 120.970 0.347 -1.849 1.00 0.36 C ATOM 434 CD2 LEU A 30 120.703 2.364 -3.326 1.00 0.40 C ATOM 0 H LEU A 30 120.696 -0.745 -5.560 1.00 0.32 H new ATOM 0 HA LEU A 30 121.906 1.868 -5.616 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.437 -0.590 -3.878 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.060 1.013 -3.544 1.00 0.32 H new ATOM 0 HG LEU A 30 120.087 0.361 -3.822 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.039 0.603 -1.344 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.105 -0.735 -1.835 1.00 0.36 H new ATOM 0 HD13 LEU A 30 121.804 0.823 -1.334 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.767 2.608 -2.824 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.529 2.856 -2.812 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.662 2.709 -4.359 1.00 0.40 H new ATOM 446 N GLY A 31 123.762 -0.724 -6.444 1.00 0.33 N ATOM 447 CA GLY A 31 125.061 -1.085 -7.077 1.00 0.34 C ATOM 448 C GLY A 31 125.198 -0.359 -8.416 1.00 0.35 C ATOM 449 O GLY A 31 126.261 0.105 -8.778 1.00 0.35 O ATOM 0 H GLY A 31 123.128 -1.505 -6.278 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.886 -0.813 -6.418 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.116 -2.163 -7.229 1.00 0.34 H new ATOM 453 N LYS A 32 124.130 -0.271 -9.159 1.00 0.35 N ATOM 454 CA LYS A 32 124.192 0.408 -10.482 1.00 0.37 C ATOM 455 C LYS A 32 124.570 1.883 -10.299 1.00 0.36 C ATOM 456 O LYS A 32 125.326 2.434 -11.074 1.00 0.38 O ATOM 457 CB LYS A 32 122.828 0.307 -11.168 1.00 0.39 C ATOM 458 CG LYS A 32 122.951 0.777 -12.619 1.00 1.18 C ATOM 459 CD LYS A 32 121.589 0.676 -13.308 1.00 1.37 C ATOM 460 CE LYS A 32 121.720 1.134 -14.762 1.00 2.06 C ATOM 461 NZ LYS A 32 120.368 1.206 -15.386 1.00 2.74 N ATOM 0 H LYS A 32 123.214 -0.642 -8.905 1.00 0.35 H new ATOM 0 HA LYS A 32 124.949 -0.076 -11.099 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.469 -0.722 -11.137 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.096 0.917 -10.638 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.310 1.806 -12.649 1.00 1.18 H new ATOM 0 HG3 LYS A 32 123.684 0.168 -13.148 1.00 1.18 H new ATOM 0 HD2 LYS A 32 121.225 -0.351 -13.270 1.00 1.37 H new ATOM 0 HD3 LYS A 32 120.858 1.293 -12.785 1.00 1.37 H new ATOM 0 HE2 LYS A 32 122.204 2.110 -14.805 1.00 2.06 H new ATOM 0 HE3 LYS A 32 122.352 0.440 -15.317 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 120.458 1.517 -16.374 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 119.922 0.267 -15.358 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 119.779 1.884 -14.862 1.00 2.74 H new ATOM 475 N LYS A 33 124.047 2.536 -9.295 1.00 0.35 N ATOM 476 CA LYS A 33 124.381 3.977 -9.099 1.00 0.36 C ATOM 477 C LYS A 33 125.873 4.120 -8.779 1.00 0.34 C ATOM 478 O LYS A 33 126.577 4.894 -9.395 1.00 0.36 O ATOM 479 CB LYS A 33 123.560 4.528 -7.932 1.00 0.36 C ATOM 480 CG LYS A 33 122.089 4.608 -8.340 1.00 0.39 C ATOM 481 CD LYS A 33 121.264 5.159 -7.176 1.00 0.64 C ATOM 482 CE LYS A 33 119.794 5.238 -7.587 1.00 0.65 C ATOM 483 NZ LYS A 33 118.958 5.514 -6.385 1.00 1.54 N ATOM 0 H LYS A 33 123.408 2.138 -8.607 1.00 0.35 H new ATOM 0 HA LYS A 33 124.151 4.531 -10.009 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.672 3.886 -7.059 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.925 5.516 -7.650 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.978 5.250 -9.214 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.725 3.620 -8.622 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.374 4.517 -6.302 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.628 6.147 -6.894 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.654 6.024 -8.329 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.484 4.302 -8.052 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.197 6.177 -6.636 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 118.543 4.625 -6.039 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 119.550 5.933 -5.639 1.00 1.54 H new ATOM 497 N LEU A 34 126.364 3.363 -7.839 1.00 0.32 N ATOM 498 CA LEU A 34 127.813 3.437 -7.501 1.00 0.31 C ATOM 499 C LEU A 34 128.635 3.074 -8.746 1.00 0.31 C ATOM 500 O LEU A 34 129.664 3.659 -9.024 1.00 0.33 O ATOM 501 CB LEU A 34 128.122 2.468 -6.350 1.00 0.29 C ATOM 502 CG LEU A 34 127.495 2.975 -5.036 1.00 0.30 C ATOM 503 CD1 LEU A 34 127.377 1.811 -4.049 1.00 0.30 C ATOM 504 CD2 LEU A 34 128.382 4.066 -4.404 1.00 0.34 C ATOM 0 H LEU A 34 125.824 2.695 -7.289 1.00 0.32 H new ATOM 0 HA LEU A 34 128.073 4.447 -7.183 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.734 1.477 -6.587 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.201 2.368 -6.230 1.00 0.29 H new ATOM 0 HG LEU A 34 126.511 3.390 -5.256 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.934 2.166 -3.119 1.00 0.30 H new ATOM 0 HD12 LEU A 34 126.745 1.033 -4.478 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.368 1.404 -3.847 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.926 4.414 -3.477 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.369 3.655 -4.191 1.00 0.34 H new ATOM 0 HD23 LEU A 34 128.479 4.902 -5.097 1.00 0.34 H new ATOM 516 N GLU A 35 128.180 2.102 -9.489 1.00 0.32 N ATOM 517 CA GLU A 35 128.922 1.677 -10.717 1.00 0.34 C ATOM 518 C GLU A 35 129.039 2.842 -11.704 1.00 0.37 C ATOM 519 O GLU A 35 130.089 3.084 -12.266 1.00 0.39 O ATOM 520 CB GLU A 35 128.174 0.516 -11.379 1.00 0.35 C ATOM 521 CG GLU A 35 128.920 0.067 -12.639 1.00 0.93 C ATOM 522 CD GLU A 35 128.269 -1.200 -13.195 1.00 1.02 C ATOM 523 OE1 GLU A 35 127.310 -1.661 -12.597 1.00 1.36 O ATOM 524 OE2 GLU A 35 128.739 -1.687 -14.210 1.00 1.67 O ATOM 0 H GLU A 35 127.324 1.581 -9.300 1.00 0.32 H new ATOM 0 HA GLU A 35 129.926 1.360 -10.434 1.00 0.34 H new ATOM 0 HB2 GLU A 35 128.087 -0.317 -10.681 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.161 0.824 -11.636 1.00 0.35 H new ATOM 0 HG2 GLU A 35 128.898 0.858 -13.388 1.00 0.93 H new ATOM 0 HG3 GLU A 35 129.968 -0.122 -12.406 1.00 0.93 H new ATOM 531 N GLU A 36 127.979 3.568 -11.920 1.00 0.39 N ATOM 532 CA GLU A 36 128.046 4.717 -12.868 1.00 0.43 C ATOM 533 C GLU A 36 128.964 5.791 -12.288 1.00 0.45 C ATOM 534 O GLU A 36 129.434 6.668 -12.985 1.00 0.49 O ATOM 535 CB GLU A 36 126.647 5.299 -13.084 1.00 0.45 C ATOM 536 CG GLU A 36 125.802 4.310 -13.888 1.00 1.12 C ATOM 537 CD GLU A 36 124.365 4.825 -13.984 1.00 1.39 C ATOM 538 OE1 GLU A 36 124.099 5.884 -13.438 1.00 1.86 O ATOM 539 OE2 GLU A 36 123.555 4.156 -14.604 1.00 2.00 O ATOM 0 H GLU A 36 127.070 3.417 -11.483 1.00 0.39 H new ATOM 0 HA GLU A 36 128.438 4.374 -13.826 1.00 0.43 H new ATOM 0 HB2 GLU A 36 126.173 5.501 -12.123 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.715 6.250 -13.613 1.00 0.45 H new ATOM 0 HG2 GLU A 36 126.222 4.184 -14.886 1.00 1.12 H new ATOM 0 HG3 GLU A 36 125.817 3.330 -13.410 1.00 1.12 H new ATOM 546 N ARG A 37 129.199 5.740 -11.008 1.00 0.42 N ATOM 547 CA ARG A 37 130.064 6.776 -10.371 1.00 0.45 C ATOM 548 C ARG A 37 131.533 6.334 -10.387 1.00 0.42 C ATOM 549 O ARG A 37 132.397 7.050 -9.919 1.00 0.43 O ATOM 550 CB ARG A 37 129.604 7.009 -8.933 1.00 0.45 C ATOM 551 CG ARG A 37 128.234 7.697 -8.948 1.00 0.53 C ATOM 552 CD ARG A 37 127.768 7.957 -7.513 1.00 0.86 C ATOM 553 NE ARG A 37 126.271 8.065 -7.473 1.00 1.42 N ATOM 554 CZ ARG A 37 125.621 8.895 -8.248 1.00 1.88 C ATOM 555 NH1 ARG A 37 126.262 9.777 -8.965 1.00 2.15 N ATOM 556 NH2 ARG A 37 124.316 8.878 -8.259 1.00 2.69 N ATOM 0 H ARG A 37 128.832 5.029 -10.375 1.00 0.42 H new ATOM 0 HA ARG A 37 129.978 7.705 -10.935 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.542 6.060 -8.400 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.329 7.626 -8.402 1.00 0.45 H new ATOM 0 HG2 ARG A 37 128.295 8.637 -9.496 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.508 7.071 -9.468 1.00 0.53 H new ATOM 0 HD2 ARG A 37 128.100 7.149 -6.861 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.218 8.876 -7.136 1.00 0.86 H new ATOM 0 HE ARG A 37 125.747 7.476 -6.825 1.00 1.42 H new ATOM 0 HH11 ARG A 37 127.280 9.824 -8.925 1.00 2.15 H new ATOM 0 HH12 ARG A 37 125.745 10.419 -9.566 1.00 2.15 H new ATOM 0 HH21 ARG A 37 123.810 8.221 -7.666 1.00 2.69 H new ATOM 0 HH22 ARG A 37 123.803 9.522 -8.861 1.00 2.69 H new ATOM 570 N GLY A 38 131.838 5.188 -10.960 1.00 0.40 N ATOM 571 CA GLY A 38 133.274 4.742 -11.049 1.00 0.39 C ATOM 572 C GLY A 38 133.577 3.588 -10.089 1.00 0.37 C ATOM 573 O GLY A 38 134.708 3.154 -9.990 1.00 0.48 O ATOM 0 H GLY A 38 131.160 4.545 -11.368 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.494 4.431 -12.070 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.929 5.583 -10.823 1.00 0.39 H new ATOM 577 N PHE A 39 132.600 3.072 -9.394 1.00 0.31 N ATOM 578 CA PHE A 39 132.857 1.931 -8.457 1.00 0.28 C ATOM 579 C PHE A 39 132.319 0.646 -9.091 1.00 0.28 C ATOM 580 O PHE A 39 131.287 0.135 -8.703 1.00 0.28 O ATOM 581 CB PHE A 39 132.107 2.181 -7.156 1.00 0.27 C ATOM 582 CG PHE A 39 132.589 3.459 -6.516 1.00 0.28 C ATOM 583 CD1 PHE A 39 132.054 4.687 -6.920 1.00 0.31 C ATOM 584 CD2 PHE A 39 133.563 3.417 -5.512 1.00 0.28 C ATOM 585 CE1 PHE A 39 132.495 5.874 -6.322 1.00 0.33 C ATOM 586 CE2 PHE A 39 134.005 4.603 -4.914 1.00 0.30 C ATOM 587 CZ PHE A 39 133.473 5.832 -5.320 1.00 0.32 C ATOM 0 H PHE A 39 131.631 3.389 -9.432 1.00 0.31 H new ATOM 0 HA PHE A 39 133.926 1.840 -8.262 1.00 0.28 H new ATOM 0 HB2 PHE A 39 131.036 2.244 -7.351 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.258 1.344 -6.474 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.301 4.720 -7.693 1.00 0.31 H new ATOM 0 HD2 PHE A 39 133.974 2.469 -5.198 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.081 6.822 -6.633 1.00 0.33 H new ATOM 0 HE2 PHE A 39 134.757 4.570 -4.139 1.00 0.30 H new ATOM 0 HZ PHE A 39 133.816 6.747 -4.861 1.00 0.32 H new ATOM 597 N ASP A 40 132.996 0.135 -10.080 1.00 0.30 N ATOM 598 CA ASP A 40 132.502 -1.101 -10.755 1.00 0.31 C ATOM 599 C ASP A 40 132.863 -2.339 -9.936 1.00 0.29 C ATOM 600 O ASP A 40 132.405 -3.428 -10.221 1.00 0.30 O ATOM 601 CB ASP A 40 133.135 -1.206 -12.144 1.00 0.35 C ATOM 602 CG ASP A 40 134.654 -1.324 -12.006 1.00 0.37 C ATOM 603 OD1 ASP A 40 135.155 -1.050 -10.929 1.00 0.37 O ATOM 604 OD2 ASP A 40 135.290 -1.686 -12.982 1.00 0.41 O ATOM 0 H ASP A 40 133.867 0.516 -10.450 1.00 0.30 H new ATOM 0 HA ASP A 40 131.417 -1.045 -10.844 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.739 -2.074 -12.671 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.880 -0.329 -12.738 1.00 0.35 H new ATOM 609 N LYS A 41 133.687 -2.192 -8.925 1.00 0.28 N ATOM 610 CA LYS A 41 134.088 -3.371 -8.089 1.00 0.28 C ATOM 611 C LYS A 41 133.915 -3.026 -6.604 1.00 0.23 C ATOM 612 O LYS A 41 133.972 -1.878 -6.209 1.00 0.23 O ATOM 613 CB LYS A 41 135.554 -3.716 -8.385 1.00 0.34 C ATOM 614 CG LYS A 41 135.713 -4.143 -9.858 1.00 0.48 C ATOM 615 CD LYS A 41 135.310 -5.613 -10.039 1.00 0.74 C ATOM 616 CE LYS A 41 135.586 -6.040 -11.482 1.00 0.71 C ATOM 617 NZ LYS A 41 137.017 -5.789 -11.811 1.00 1.56 N ATOM 0 H LYS A 41 134.101 -1.304 -8.642 1.00 0.28 H new ATOM 0 HA LYS A 41 133.460 -4.230 -8.327 1.00 0.28 H new ATOM 0 HB2 LYS A 41 136.187 -2.853 -8.178 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.886 -4.520 -7.728 1.00 0.34 H new ATOM 0 HG2 LYS A 41 135.096 -3.510 -10.495 1.00 0.48 H new ATOM 0 HG3 LYS A 41 136.747 -4.002 -10.174 1.00 0.48 H new ATOM 0 HD2 LYS A 41 135.870 -6.243 -9.348 1.00 0.74 H new ATOM 0 HD3 LYS A 41 134.253 -5.744 -9.805 1.00 0.74 H new ATOM 0 HE2 LYS A 41 135.353 -7.097 -11.610 1.00 0.71 H new ATOM 0 HE3 LYS A 41 134.942 -5.486 -12.165 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 137.315 -6.428 -12.576 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 137.135 -4.802 -12.118 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 137.602 -5.962 -10.969 1.00 1.56 H new ATOM 631 N ALA A 42 133.680 -4.018 -5.784 1.00 0.21 N ATOM 632 CA ALA A 42 133.473 -3.768 -4.323 1.00 0.20 C ATOM 633 C ALA A 42 134.747 -3.230 -3.657 1.00 0.18 C ATOM 634 O ALA A 42 134.684 -2.372 -2.799 1.00 0.18 O ATOM 635 CB ALA A 42 133.068 -5.075 -3.640 1.00 0.21 C ATOM 0 H ALA A 42 133.622 -4.997 -6.064 1.00 0.21 H new ATOM 0 HA ALA A 42 132.688 -3.019 -4.216 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.916 -4.897 -2.575 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.143 -5.445 -4.082 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.856 -5.816 -3.775 1.00 0.21 H new ATOM 641 N TYR A 43 135.895 -3.735 -4.010 1.00 0.19 N ATOM 642 CA TYR A 43 137.144 -3.254 -3.347 1.00 0.18 C ATOM 643 C TYR A 43 137.273 -1.737 -3.494 1.00 0.17 C ATOM 644 O TYR A 43 138.010 -1.103 -2.764 1.00 0.17 O ATOM 645 CB TYR A 43 138.381 -3.950 -3.932 1.00 0.20 C ATOM 646 CG TYR A 43 138.587 -3.556 -5.373 1.00 0.21 C ATOM 647 CD1 TYR A 43 139.152 -2.314 -5.687 1.00 0.21 C ATOM 648 CD2 TYR A 43 138.230 -4.441 -6.396 1.00 0.24 C ATOM 649 CE1 TYR A 43 139.358 -1.957 -7.022 1.00 0.25 C ATOM 650 CE2 TYR A 43 138.434 -4.084 -7.731 1.00 0.28 C ATOM 651 CZ TYR A 43 138.999 -2.842 -8.046 1.00 0.28 C ATOM 652 OH TYR A 43 139.200 -2.490 -9.366 1.00 0.32 O ATOM 0 H TYR A 43 136.025 -4.454 -4.722 1.00 0.19 H new ATOM 0 HA TYR A 43 137.082 -3.503 -2.288 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.263 -3.685 -3.348 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.264 -5.031 -3.859 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.429 -1.632 -4.897 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.797 -5.400 -6.154 1.00 0.24 H new ATOM 0 HE1 TYR A 43 139.794 -0.999 -7.264 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.156 -4.766 -8.521 1.00 0.28 H new ATOM 0 HH TYR A 43 138.897 -3.218 -9.948 1.00 0.32 H new ATOM 662 N VAL A 44 136.559 -1.138 -4.407 1.00 0.18 N ATOM 663 CA VAL A 44 136.648 0.345 -4.555 1.00 0.18 C ATOM 664 C VAL A 44 135.779 0.985 -3.465 1.00 0.17 C ATOM 665 O VAL A 44 136.077 2.040 -2.941 1.00 0.18 O ATOM 666 CB VAL A 44 136.140 0.775 -5.938 1.00 0.20 C ATOM 667 CG1 VAL A 44 136.408 2.275 -6.152 1.00 0.22 C ATOM 668 CG2 VAL A 44 136.858 -0.030 -7.029 1.00 0.24 C ATOM 0 H VAL A 44 135.922 -1.605 -5.053 1.00 0.18 H new ATOM 0 HA VAL A 44 137.685 0.666 -4.456 1.00 0.18 H new ATOM 0 HB VAL A 44 135.068 0.588 -5.994 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.045 2.573 -7.136 1.00 0.22 H new ATOM 0 HG12 VAL A 44 135.890 2.850 -5.384 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.479 2.466 -6.088 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.494 0.279 -8.009 1.00 0.24 H new ATOM 0 HG22 VAL A 44 137.931 0.150 -6.967 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.660 -1.092 -6.887 1.00 0.24 H new ATOM 678 N VAL A 45 134.705 0.321 -3.123 1.00 0.17 N ATOM 679 CA VAL A 45 133.795 0.844 -2.064 1.00 0.17 C ATOM 680 C VAL A 45 134.441 0.579 -0.703 1.00 0.16 C ATOM 681 O VAL A 45 134.406 1.411 0.181 1.00 0.16 O ATOM 682 CB VAL A 45 132.430 0.146 -2.149 1.00 0.18 C ATOM 683 CG1 VAL A 45 131.595 0.487 -0.910 1.00 0.22 C ATOM 684 CG2 VAL A 45 131.685 0.622 -3.403 1.00 0.20 C ATOM 0 H VAL A 45 134.419 -0.567 -3.536 1.00 0.17 H new ATOM 0 HA VAL A 45 133.638 1.914 -2.200 1.00 0.17 H new ATOM 0 HB VAL A 45 132.584 -0.932 -2.200 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.627 -0.011 -0.975 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.117 0.149 -0.015 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.446 1.565 -0.857 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.716 0.125 -3.461 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.537 1.701 -3.351 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.271 0.379 -4.289 1.00 0.20 H new ATOM 694 N LEU A 46 135.063 -0.556 -0.536 1.00 0.17 N ATOM 695 CA LEU A 46 135.742 -0.835 0.758 1.00 0.18 C ATOM 696 C LEU A 46 136.802 0.243 0.964 1.00 0.17 C ATOM 697 O LEU A 46 137.028 0.715 2.061 1.00 0.18 O ATOM 698 CB LEU A 46 136.407 -2.222 0.718 1.00 0.22 C ATOM 699 CG LEU A 46 137.271 -2.438 1.973 1.00 0.25 C ATOM 700 CD1 LEU A 46 136.419 -2.275 3.238 1.00 0.40 C ATOM 701 CD2 LEU A 46 137.866 -3.847 1.942 1.00 0.35 C ATOM 0 H LEU A 46 135.130 -1.296 -1.235 1.00 0.17 H new ATOM 0 HA LEU A 46 135.021 -0.827 1.576 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.643 -2.997 0.657 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.024 -2.311 -0.176 1.00 0.22 H new ATOM 0 HG LEU A 46 138.071 -1.697 1.985 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.042 -2.430 4.119 1.00 0.40 H new ATOM 0 HD12 LEU A 46 135.996 -1.271 3.265 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.612 -3.008 3.230 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.479 -4.003 2.830 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.061 -4.582 1.923 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.483 -3.962 1.051 1.00 0.35 H new ATOM 713 N GLY A 47 137.454 0.633 -0.099 1.00 0.17 N ATOM 714 CA GLY A 47 138.506 1.677 0.004 1.00 0.18 C ATOM 715 C GLY A 47 137.899 2.961 0.571 1.00 0.18 C ATOM 716 O GLY A 47 138.493 3.625 1.397 1.00 0.18 O ATOM 0 H GLY A 47 137.299 0.269 -1.039 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.315 1.330 0.647 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.939 1.870 -0.978 1.00 0.18 H new ATOM 720 N GLN A 48 136.717 3.317 0.143 1.00 0.17 N ATOM 721 CA GLN A 48 136.086 4.557 0.677 1.00 0.18 C ATOM 722 C GLN A 48 135.929 4.407 2.192 1.00 0.17 C ATOM 723 O GLN A 48 136.220 5.310 2.949 1.00 0.18 O ATOM 724 CB GLN A 48 134.711 4.755 0.030 1.00 0.19 C ATOM 725 CG GLN A 48 134.123 6.102 0.462 1.00 0.22 C ATOM 726 CD GLN A 48 134.962 7.240 -0.124 1.00 0.28 C ATOM 727 OE1 GLN A 48 135.108 7.346 -1.326 1.00 0.98 O ATOM 728 NE2 GLN A 48 135.522 8.104 0.678 1.00 1.09 N ATOM 0 H GLN A 48 136.166 2.807 -0.547 1.00 0.17 H new ATOM 0 HA GLN A 48 136.709 5.422 0.451 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.801 4.719 -1.056 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.042 3.945 0.322 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.091 6.185 0.122 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.107 6.171 1.550 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.400 8.017 1.687 1.00 1.09 H new ATOM 0 HE22 GLN A 48 136.081 8.867 0.296 1.00 1.09 H new ATOM 737 N PHE A 49 135.496 3.261 2.640 1.00 0.17 N ATOM 738 CA PHE A 49 135.350 3.042 4.106 1.00 0.17 C ATOM 739 C PHE A 49 136.717 3.218 4.767 1.00 0.18 C ATOM 740 O PHE A 49 136.837 3.790 5.832 1.00 0.19 O ATOM 741 CB PHE A 49 134.824 1.629 4.358 1.00 0.17 C ATOM 742 CG PHE A 49 134.696 1.391 5.842 1.00 0.19 C ATOM 743 CD1 PHE A 49 133.535 1.780 6.519 1.00 0.23 C ATOM 744 CD2 PHE A 49 135.739 0.769 6.539 1.00 0.28 C ATOM 745 CE1 PHE A 49 133.420 1.549 7.895 1.00 0.26 C ATOM 746 CE2 PHE A 49 135.623 0.540 7.914 1.00 0.31 C ATOM 747 CZ PHE A 49 134.463 0.929 8.592 1.00 0.26 C ATOM 0 H PHE A 49 135.237 2.467 2.054 1.00 0.17 H new ATOM 0 HA PHE A 49 134.646 3.761 4.526 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.856 1.499 3.874 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.500 0.895 3.919 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.729 2.257 5.981 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.633 0.466 6.015 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.525 1.850 8.419 1.00 0.26 H new ATOM 0 HE2 PHE A 49 136.429 0.063 8.452 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.372 0.751 9.653 1.00 0.26 H new ATOM 757 N LEU A 50 137.744 2.736 4.138 1.00 0.19 N ATOM 758 CA LEU A 50 139.103 2.881 4.729 1.00 0.21 C ATOM 759 C LEU A 50 139.507 4.359 4.664 1.00 0.21 C ATOM 760 O LEU A 50 140.104 4.890 5.581 1.00 0.23 O ATOM 761 CB LEU A 50 140.096 2.019 3.940 1.00 0.23 C ATOM 762 CG LEU A 50 139.713 0.534 4.061 1.00 0.23 C ATOM 763 CD1 LEU A 50 140.625 -0.302 3.153 1.00 0.28 C ATOM 764 CD2 LEU A 50 139.862 0.063 5.520 1.00 0.28 C ATOM 0 H LEU A 50 137.706 2.249 3.243 1.00 0.19 H new ATOM 0 HA LEU A 50 139.105 2.550 5.767 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.098 2.319 2.892 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.106 2.175 4.318 1.00 0.23 H new ATOM 0 HG LEU A 50 138.675 0.407 3.755 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.356 -1.355 3.237 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.505 0.022 2.119 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.663 -0.168 3.457 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.588 -0.990 5.592 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.896 0.192 5.840 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.208 0.653 6.161 1.00 0.28 H new ATOM 776 N VAL A 51 139.195 5.022 3.587 1.00 0.21 N ATOM 777 CA VAL A 51 139.565 6.464 3.451 1.00 0.23 C ATOM 778 C VAL A 51 138.764 7.313 4.448 1.00 0.23 C ATOM 779 O VAL A 51 139.182 8.383 4.843 1.00 0.24 O ATOM 780 CB VAL A 51 139.274 6.931 2.020 1.00 0.25 C ATOM 781 CG1 VAL A 51 139.409 8.456 1.930 1.00 0.28 C ATOM 782 CG2 VAL A 51 140.277 6.278 1.067 1.00 0.27 C ATOM 0 H VAL A 51 138.697 4.628 2.789 1.00 0.21 H new ATOM 0 HA VAL A 51 140.627 6.582 3.665 1.00 0.23 H new ATOM 0 HB VAL A 51 138.259 6.645 1.746 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.201 8.780 0.910 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.700 8.925 2.612 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.423 8.748 2.204 1.00 0.28 H new ATOM 0 HG21 VAL A 51 140.076 6.606 0.047 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.289 6.569 1.349 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.181 5.194 1.125 1.00 0.27 H new ATOM 792 N LEU A 52 137.608 6.851 4.844 1.00 0.22 N ATOM 793 CA LEU A 52 136.775 7.645 5.803 1.00 0.23 C ATOM 794 C LEU A 52 137.123 7.265 7.244 1.00 0.23 C ATOM 795 O LEU A 52 136.420 7.623 8.167 1.00 0.24 O ATOM 796 CB LEU A 52 135.286 7.393 5.542 1.00 0.24 C ATOM 797 CG LEU A 52 134.876 7.952 4.166 1.00 0.25 C ATOM 798 CD1 LEU A 52 133.400 7.638 3.925 1.00 0.31 C ATOM 799 CD2 LEU A 52 135.082 9.481 4.117 1.00 0.27 C ATOM 0 H LEU A 52 137.203 5.963 4.548 1.00 0.22 H new ATOM 0 HA LEU A 52 136.986 8.704 5.656 1.00 0.23 H new ATOM 0 HB2 LEU A 52 135.080 6.323 5.582 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.689 7.862 6.324 1.00 0.24 H new ATOM 0 HG LEU A 52 135.495 7.490 3.397 1.00 0.25 H new ATOM 0 HD11 LEU A 52 133.099 8.029 2.953 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.250 6.559 3.944 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.797 8.102 4.706 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.787 9.857 3.137 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.472 9.955 4.886 1.00 0.27 H new ATOM 0 HD23 LEU A 52 136.133 9.712 4.293 1.00 0.27 H new ATOM 811 N LYS A 53 138.208 6.572 7.458 1.00 0.22 N ATOM 812 CA LYS A 53 138.584 6.217 8.853 1.00 0.23 C ATOM 813 C LYS A 53 137.381 5.620 9.593 1.00 0.24 C ATOM 814 O LYS A 53 137.034 6.059 10.670 1.00 0.30 O ATOM 815 CB LYS A 53 139.056 7.483 9.591 1.00 0.29 C ATOM 816 CG LYS A 53 140.435 7.949 9.065 1.00 0.38 C ATOM 817 CD LYS A 53 140.268 8.918 7.875 1.00 0.49 C ATOM 818 CE LYS A 53 140.070 10.353 8.379 1.00 0.90 C ATOM 819 NZ LYS A 53 141.293 10.801 9.106 1.00 1.70 N ATOM 0 H LYS A 53 138.844 6.239 6.734 1.00 0.22 H new ATOM 0 HA LYS A 53 139.386 5.480 8.826 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.324 8.280 9.459 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.119 7.283 10.661 1.00 0.29 H new ATOM 0 HG2 LYS A 53 140.988 8.441 9.866 1.00 0.38 H new ATOM 0 HG3 LYS A 53 141.023 7.085 8.756 1.00 0.38 H new ATOM 0 HD2 LYS A 53 141.147 8.869 7.232 1.00 0.49 H new ATOM 0 HD3 LYS A 53 139.413 8.617 7.270 1.00 0.49 H new ATOM 0 HE2 LYS A 53 139.869 11.019 7.540 1.00 0.90 H new ATOM 0 HE3 LYS A 53 139.204 10.401 9.039 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 141.284 11.837 9.194 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 141.310 10.373 10.054 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 142.139 10.506 8.578 1.00 1.70 H new ATOM 833 N LYS A 54 136.732 4.627 9.027 1.00 0.22 N ATOM 834 CA LYS A 54 135.544 3.997 9.679 1.00 0.25 C ATOM 835 C LYS A 54 134.638 5.057 10.302 1.00 0.27 C ATOM 836 O LYS A 54 133.814 4.757 11.142 1.00 0.33 O ATOM 837 CB LYS A 54 135.987 2.975 10.745 1.00 0.35 C ATOM 838 CG LYS A 54 136.774 3.649 11.878 1.00 0.67 C ATOM 839 CD LYS A 54 136.969 2.651 13.027 1.00 0.83 C ATOM 840 CE LYS A 54 137.788 1.444 12.547 1.00 1.41 C ATOM 841 NZ LYS A 54 136.888 0.465 11.875 1.00 2.24 N ATOM 0 H LYS A 54 136.983 4.222 8.125 1.00 0.22 H new ATOM 0 HA LYS A 54 134.977 3.472 8.910 1.00 0.25 H new ATOM 0 HB2 LYS A 54 135.111 2.474 11.157 1.00 0.35 H new ATOM 0 HB3 LYS A 54 136.604 2.206 10.279 1.00 0.35 H new ATOM 0 HG2 LYS A 54 137.742 3.991 11.510 1.00 0.67 H new ATOM 0 HG3 LYS A 54 136.239 4.530 12.233 1.00 0.67 H new ATOM 0 HD2 LYS A 54 137.478 3.138 13.859 1.00 0.83 H new ATOM 0 HD3 LYS A 54 136.000 2.318 13.398 1.00 0.83 H new ATOM 0 HE2 LYS A 54 138.566 1.771 11.857 1.00 1.41 H new ATOM 0 HE3 LYS A 54 138.289 0.972 13.392 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 137.027 -0.478 12.292 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 135.898 0.758 12.004 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 137.109 0.431 10.859 1.00 2.24 H new ATOM 855 N ASP A 55 134.737 6.283 9.872 1.00 0.29 N ATOM 856 CA ASP A 55 133.823 7.318 10.429 1.00 0.39 C ATOM 857 C ASP A 55 132.401 6.940 9.993 1.00 0.37 C ATOM 858 O ASP A 55 132.042 7.065 8.839 1.00 0.37 O ATOM 859 CB ASP A 55 134.205 8.686 9.865 1.00 0.46 C ATOM 860 CG ASP A 55 135.526 9.146 10.485 1.00 1.18 C ATOM 861 OD1 ASP A 55 135.714 8.917 11.668 1.00 1.80 O ATOM 862 OD2 ASP A 55 136.325 9.723 9.765 1.00 1.55 O ATOM 0 H ASP A 55 135.400 6.610 9.170 1.00 0.29 H new ATOM 0 HA ASP A 55 133.889 7.367 11.516 1.00 0.39 H new ATOM 0 HB2 ASP A 55 134.301 8.630 8.781 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.419 9.411 10.079 1.00 0.46 H new ATOM 867 N GLU A 56 131.611 6.430 10.899 1.00 0.38 N ATOM 868 CA GLU A 56 130.229 5.979 10.545 1.00 0.37 C ATOM 869 C GLU A 56 129.351 7.123 10.021 1.00 0.38 C ATOM 870 O GLU A 56 128.584 6.940 9.100 1.00 0.37 O ATOM 871 CB GLU A 56 129.577 5.364 11.789 1.00 0.39 C ATOM 872 CG GLU A 56 128.181 4.830 11.444 1.00 0.41 C ATOM 873 CD GLU A 56 127.556 4.198 12.690 1.00 0.62 C ATOM 874 OE1 GLU A 56 128.274 4.013 13.659 1.00 0.87 O ATOM 875 OE2 GLU A 56 126.369 3.923 12.657 1.00 0.85 O ATOM 0 H GLU A 56 131.864 6.304 11.879 1.00 0.38 H new ATOM 0 HA GLU A 56 130.313 5.246 9.743 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.199 4.556 12.173 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.504 6.112 12.578 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.550 5.640 11.078 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.249 4.093 10.644 1.00 0.41 H new ATOM 882 N ASP A 57 129.427 8.292 10.589 1.00 0.40 N ATOM 883 CA ASP A 57 128.557 9.400 10.094 1.00 0.41 C ATOM 884 C ASP A 57 129.020 9.842 8.707 1.00 0.40 C ATOM 885 O ASP A 57 128.219 10.109 7.834 1.00 0.40 O ATOM 886 CB ASP A 57 128.635 10.586 11.057 1.00 0.45 C ATOM 887 CG ASP A 57 127.935 10.231 12.370 1.00 0.47 C ATOM 888 OD1 ASP A 57 126.738 10.452 12.459 1.00 0.73 O ATOM 889 OD2 ASP A 57 128.606 9.739 13.262 1.00 0.64 O ATOM 0 H ASP A 57 130.045 8.530 11.365 1.00 0.40 H new ATOM 0 HA ASP A 57 127.528 9.046 10.036 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.677 10.844 11.247 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.166 11.462 10.609 1.00 0.45 H new ATOM 894 N LEU A 58 130.293 9.909 8.490 1.00 0.40 N ATOM 895 CA LEU A 58 130.773 10.321 7.144 1.00 0.40 C ATOM 896 C LEU A 58 130.475 9.205 6.140 1.00 0.37 C ATOM 897 O LEU A 58 130.068 9.456 5.022 1.00 0.38 O ATOM 898 CB LEU A 58 132.278 10.590 7.177 1.00 0.40 C ATOM 899 CG LEU A 58 132.594 11.725 8.160 1.00 0.47 C ATOM 900 CD1 LEU A 58 134.114 11.891 8.259 1.00 0.45 C ATOM 901 CD2 LEU A 58 131.963 13.043 7.672 1.00 0.55 C ATOM 0 H LEU A 58 131.020 9.700 9.174 1.00 0.40 H new ATOM 0 HA LEU A 58 130.259 11.235 6.846 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.810 9.685 7.472 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.629 10.855 6.180 1.00 0.40 H new ATOM 0 HG LEU A 58 132.181 11.479 9.139 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.347 12.696 8.956 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.559 10.962 8.615 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.518 12.133 7.276 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.194 13.841 8.378 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.366 13.298 6.692 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.882 12.924 7.600 1.00 0.55 H new ATOM 913 N PHE A 59 130.659 7.973 6.534 1.00 0.36 N ATOM 914 CA PHE A 59 130.368 6.844 5.605 1.00 0.35 C ATOM 915 C PHE A 59 128.877 6.830 5.275 1.00 0.35 C ATOM 916 O PHE A 59 128.482 6.756 4.129 1.00 0.35 O ATOM 917 CB PHE A 59 130.759 5.518 6.265 1.00 0.34 C ATOM 918 CG PHE A 59 130.463 4.376 5.321 1.00 0.33 C ATOM 919 CD1 PHE A 59 131.440 3.942 4.416 1.00 0.35 C ATOM 920 CD2 PHE A 59 129.210 3.750 5.349 1.00 0.36 C ATOM 921 CE1 PHE A 59 131.166 2.885 3.542 1.00 0.36 C ATOM 922 CE2 PHE A 59 128.937 2.691 4.474 1.00 0.38 C ATOM 923 CZ PHE A 59 129.915 2.259 3.571 1.00 0.36 C ATOM 0 H PHE A 59 130.997 7.701 7.457 1.00 0.36 H new ATOM 0 HA PHE A 59 130.943 6.972 4.688 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.818 5.526 6.521 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.207 5.386 7.196 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.406 4.424 4.393 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.455 4.084 6.045 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.920 2.552 2.845 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.971 2.208 4.496 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.704 1.442 2.896 1.00 0.36 H new ATOM 933 N ARG A 60 128.044 6.887 6.281 1.00 0.37 N ATOM 934 CA ARG A 60 126.578 6.862 6.035 1.00 0.38 C ATOM 935 C ARG A 60 126.166 8.089 5.223 1.00 0.39 C ATOM 936 O ARG A 60 125.419 7.989 4.270 1.00 0.39 O ATOM 937 CB ARG A 60 125.842 6.865 7.378 1.00 0.42 C ATOM 938 CG ARG A 60 126.065 5.525 8.087 1.00 0.43 C ATOM 939 CD ARG A 60 125.353 5.533 9.441 1.00 0.50 C ATOM 940 NE ARG A 60 123.880 5.498 9.228 1.00 1.31 N ATOM 941 CZ ARG A 60 123.086 5.225 10.227 1.00 1.55 C ATOM 942 NH1 ARG A 60 123.582 5.029 11.419 1.00 1.16 N ATOM 943 NH2 ARG A 60 121.798 5.154 10.038 1.00 2.64 N ATOM 0 H ARG A 60 128.319 6.950 7.261 1.00 0.37 H new ATOM 0 HA ARG A 60 126.320 5.963 5.476 1.00 0.38 H new ATOM 0 HB2 ARG A 60 126.204 7.683 8.001 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.776 7.032 7.220 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.686 4.709 7.471 1.00 0.43 H new ATOM 0 HG3 ARG A 60 127.132 5.350 8.227 1.00 0.43 H new ATOM 0 HD2 ARG A 60 125.666 4.673 10.033 1.00 0.50 H new ATOM 0 HD3 ARG A 60 125.629 6.425 10.003 1.00 0.50 H new ATOM 0 HE ARG A 60 123.492 5.687 8.304 1.00 1.31 H new ATOM 0 HH11 ARG A 60 124.589 5.089 11.569 1.00 1.16 H new ATOM 0 HH12 ARG A 60 122.962 4.816 12.201 1.00 1.16 H new ATOM 0 HH21 ARG A 60 121.410 5.312 9.108 1.00 2.64 H new ATOM 0 HH22 ARG A 60 121.179 4.940 10.820 1.00 2.64 H new ATOM 957 N GLU A 61 126.656 9.246 5.579 1.00 0.41 N ATOM 958 CA GLU A 61 126.305 10.474 4.817 1.00 0.44 C ATOM 959 C GLU A 61 126.869 10.350 3.399 1.00 0.42 C ATOM 960 O GLU A 61 126.232 10.723 2.432 1.00 0.42 O ATOM 961 CB GLU A 61 126.904 11.696 5.528 1.00 0.48 C ATOM 962 CG GLU A 61 126.403 13.002 4.881 1.00 1.29 C ATOM 963 CD GLU A 61 127.250 13.348 3.650 1.00 1.76 C ATOM 964 OE1 GLU A 61 128.201 12.633 3.381 1.00 2.37 O ATOM 965 OE2 GLU A 61 126.931 14.328 2.995 1.00 2.32 O ATOM 0 H GLU A 61 127.286 9.392 6.368 1.00 0.41 H new ATOM 0 HA GLU A 61 125.223 10.595 4.763 1.00 0.44 H new ATOM 0 HB2 GLU A 61 126.631 11.679 6.583 1.00 0.48 H new ATOM 0 HB3 GLU A 61 127.992 11.654 5.479 1.00 0.48 H new ATOM 0 HG2 GLU A 61 125.357 12.895 4.592 1.00 1.29 H new ATOM 0 HG3 GLU A 61 126.452 13.816 5.604 1.00 1.29 H new ATOM 972 N TRP A 62 128.053 9.825 3.265 1.00 0.40 N ATOM 973 CA TRP A 62 128.654 9.670 1.908 1.00 0.38 C ATOM 974 C TRP A 62 127.848 8.675 1.064 1.00 0.36 C ATOM 975 O TRP A 62 127.535 8.929 -0.080 1.00 0.36 O ATOM 976 CB TRP A 62 130.097 9.153 2.043 1.00 0.38 C ATOM 977 CG TRP A 62 130.614 8.736 0.696 1.00 0.36 C ATOM 978 CD1 TRP A 62 131.167 9.561 -0.220 1.00 0.38 C ATOM 979 CD2 TRP A 62 130.609 7.405 0.097 1.00 0.34 C ATOM 980 NE1 TRP A 62 131.508 8.823 -1.341 1.00 0.37 N ATOM 981 CE2 TRP A 62 131.184 7.487 -1.193 1.00 0.35 C ATOM 982 CE3 TRP A 62 130.168 6.146 0.548 1.00 0.32 C ATOM 983 CZ2 TRP A 62 131.314 6.359 -2.009 1.00 0.34 C ATOM 984 CZ3 TRP A 62 130.299 5.011 -0.269 1.00 0.31 C ATOM 985 CH2 TRP A 62 130.870 5.118 -1.544 1.00 0.32 C ATOM 0 H TRP A 62 128.633 9.495 4.036 1.00 0.40 H new ATOM 0 HA TRP A 62 128.644 10.642 1.415 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.734 9.931 2.463 1.00 0.38 H new ATOM 0 HB3 TRP A 62 130.128 8.309 2.732 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.318 10.623 -0.098 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.945 9.217 -2.174 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.726 6.052 1.529 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.754 6.446 -2.991 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.958 4.050 0.088 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.967 4.242 -2.167 1.00 0.32 H new ATOM 996 N LEU A 63 127.534 7.538 1.612 1.00 0.34 N ATOM 997 CA LEU A 63 126.778 6.519 0.833 1.00 0.32 C ATOM 998 C LEU A 63 125.357 7.006 0.549 1.00 0.33 C ATOM 999 O LEU A 63 124.863 6.896 -0.556 1.00 0.32 O ATOM 1000 CB LEU A 63 126.735 5.213 1.637 1.00 0.31 C ATOM 1001 CG LEU A 63 125.939 4.136 0.888 1.00 0.31 C ATOM 1002 CD1 LEU A 63 126.586 3.841 -0.474 1.00 0.30 C ATOM 1003 CD2 LEU A 63 125.924 2.858 1.734 1.00 0.32 C ATOM 0 H LEU A 63 127.768 7.268 2.567 1.00 0.34 H new ATOM 0 HA LEU A 63 127.276 6.351 -0.122 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.750 4.860 1.820 1.00 0.31 H new ATOM 0 HB3 LEU A 63 126.281 5.395 2.611 1.00 0.31 H new ATOM 0 HG LEU A 63 124.922 4.490 0.720 1.00 0.31 H new ATOM 0 HD11 LEU A 63 126.009 3.075 -0.992 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.602 4.751 -1.074 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.606 3.487 -0.323 1.00 0.30 H new ATOM 0 HD21 LEU A 63 125.361 2.083 1.213 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.946 2.517 1.896 1.00 0.32 H new ATOM 0 HD23 LEU A 63 125.454 3.064 2.696 1.00 0.32 H new ATOM 1015 N LYS A 64 124.692 7.534 1.534 1.00 0.35 N ATOM 1016 CA LYS A 64 123.300 8.018 1.319 1.00 0.37 C ATOM 1017 C LYS A 64 123.288 9.155 0.297 1.00 0.39 C ATOM 1018 O LYS A 64 122.508 9.160 -0.634 1.00 0.39 O ATOM 1019 CB LYS A 64 122.710 8.501 2.647 1.00 0.41 C ATOM 1020 CG LYS A 64 121.269 8.964 2.422 1.00 0.43 C ATOM 1021 CD LYS A 64 120.574 9.179 3.771 1.00 0.68 C ATOM 1022 CE LYS A 64 121.294 10.273 4.568 1.00 1.25 C ATOM 1023 NZ LYS A 64 122.484 9.690 5.253 1.00 2.11 N ATOM 0 H LYS A 64 125.051 7.652 2.481 1.00 0.35 H new ATOM 0 HA LYS A 64 122.694 7.197 0.935 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.735 7.697 3.383 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.309 9.319 3.048 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.261 9.890 1.847 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.726 8.221 1.838 1.00 0.43 H new ATOM 0 HD2 LYS A 64 119.533 9.460 3.612 1.00 0.68 H new ATOM 0 HD3 LYS A 64 120.569 8.248 4.339 1.00 0.68 H new ATOM 0 HE2 LYS A 64 121.603 11.079 3.902 1.00 1.25 H new ATOM 0 HE3 LYS A 64 120.616 10.709 5.302 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 122.548 10.068 6.220 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 122.390 8.655 5.292 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 123.345 9.940 4.726 1.00 2.11 H new ATOM 1037 N ASP A 65 124.147 10.119 0.468 1.00 0.41 N ATOM 1038 CA ASP A 65 124.190 11.263 -0.488 1.00 0.45 C ATOM 1039 C ASP A 65 124.737 10.799 -1.836 1.00 0.43 C ATOM 1040 O ASP A 65 124.493 11.411 -2.857 1.00 0.46 O ATOM 1041 CB ASP A 65 125.089 12.364 0.074 1.00 0.49 C ATOM 1042 CG ASP A 65 124.383 13.044 1.246 1.00 1.17 C ATOM 1043 OD1 ASP A 65 123.230 13.409 1.085 1.00 1.90 O ATOM 1044 OD2 ASP A 65 125.003 13.184 2.285 1.00 1.42 O ATOM 0 H ASP A 65 124.824 10.166 1.230 1.00 0.41 H new ATOM 0 HA ASP A 65 123.180 11.649 -0.627 1.00 0.45 H new ATOM 0 HB2 ASP A 65 126.039 11.942 0.402 1.00 0.49 H new ATOM 0 HB3 ASP A 65 125.317 13.095 -0.702 1.00 0.49 H new ATOM 1049 N THR A 66 125.508 9.747 -1.848 1.00 0.40 N ATOM 1050 CA THR A 66 126.109 9.276 -3.125 1.00 0.39 C ATOM 1051 C THR A 66 125.098 8.475 -3.952 1.00 0.39 C ATOM 1052 O THR A 66 125.147 8.516 -5.166 1.00 0.41 O ATOM 1053 CB THR A 66 127.329 8.403 -2.813 1.00 0.38 C ATOM 1054 OG1 THR A 66 128.355 9.214 -2.259 1.00 0.37 O ATOM 1055 CG2 THR A 66 127.846 7.747 -4.095 1.00 0.39 C ATOM 0 H THR A 66 125.748 9.193 -1.026 1.00 0.40 H new ATOM 0 HA THR A 66 126.409 10.145 -3.710 1.00 0.39 H new ATOM 0 HB THR A 66 127.041 7.627 -2.103 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.107 9.479 -1.349 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.713 7.129 -3.863 1.00 0.39 H new ATOM 0 HG22 THR A 66 127.062 7.125 -4.527 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.132 8.519 -4.809 1.00 0.39 H new ATOM 1063 N CYS A 67 124.210 7.717 -3.345 1.00 0.37 N ATOM 1064 CA CYS A 67 123.250 6.895 -4.158 1.00 0.38 C ATOM 1065 C CYS A 67 121.814 7.034 -3.656 1.00 0.37 C ATOM 1066 O CYS A 67 120.873 6.739 -4.366 1.00 0.40 O ATOM 1067 CB CYS A 67 123.662 5.428 -4.058 1.00 0.37 C ATOM 1068 SG CYS A 67 123.690 4.929 -2.318 1.00 0.36 S ATOM 0 H CYS A 67 124.109 7.632 -2.334 1.00 0.37 H new ATOM 0 HA CYS A 67 123.285 7.250 -5.188 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.964 4.804 -4.616 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.646 5.284 -4.505 1.00 0.37 H new ATOM 0 HG CYS A 67 124.451 5.741 -1.646 1.00 0.36 H new ATOM 1074 N GLY A 68 121.633 7.466 -2.437 1.00 0.36 N ATOM 1075 CA GLY A 68 120.250 7.608 -1.884 1.00 0.36 C ATOM 1076 C GLY A 68 119.935 6.396 -1.002 1.00 0.34 C ATOM 1077 O GLY A 68 118.806 6.188 -0.606 1.00 0.34 O ATOM 0 H GLY A 68 122.383 7.728 -1.797 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.170 8.527 -1.303 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.526 7.680 -2.696 1.00 0.36 H new ATOM 1081 N ALA A 69 120.921 5.598 -0.683 1.00 0.33 N ATOM 1082 CA ALA A 69 120.665 4.409 0.180 1.00 0.32 C ATOM 1083 C ALA A 69 119.884 4.845 1.420 1.00 0.31 C ATOM 1084 O ALA A 69 119.967 5.979 1.847 1.00 0.32 O ATOM 1085 CB ALA A 69 122.000 3.795 0.610 1.00 0.32 C ATOM 0 H ALA A 69 121.889 5.718 -0.982 1.00 0.33 H new ATOM 0 HA ALA A 69 120.088 3.671 -0.376 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.814 2.926 1.241 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.561 3.489 -0.273 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.576 4.532 1.169 1.00 0.32 H new ATOM 1091 N ASN A 70 119.114 3.961 1.995 1.00 0.30 N ATOM 1092 CA ASN A 70 118.315 4.338 3.199 1.00 0.30 C ATOM 1093 C ASN A 70 119.135 4.088 4.464 1.00 0.30 C ATOM 1094 O ASN A 70 120.194 3.493 4.427 1.00 0.29 O ATOM 1095 CB ASN A 70 117.040 3.493 3.248 1.00 0.30 C ATOM 1096 CG ASN A 70 116.177 3.942 4.429 1.00 1.06 C ATOM 1097 OD1 ASN A 70 116.289 3.411 5.516 1.00 1.90 O ATOM 1098 ND2 ASN A 70 115.313 4.906 4.260 1.00 1.77 N ATOM 0 H ASN A 70 119.003 2.996 1.685 1.00 0.30 H new ATOM 0 HA ASN A 70 118.055 5.395 3.140 1.00 0.30 H new ATOM 0 HB2 ASN A 70 116.484 3.599 2.316 1.00 0.30 H new ATOM 0 HB3 ASN A 70 117.294 2.438 3.349 1.00 0.30 H new ATOM 0 HD21 ASN A 70 114.732 5.213 5.040 1.00 1.77 H new ATOM 0 HD22 ASN A 70 115.219 5.352 3.348 1.00 1.77 H new ATOM 1105 N ALA A 71 118.653 4.553 5.581 1.00 0.32 N ATOM 1106 CA ALA A 71 119.394 4.369 6.859 1.00 0.34 C ATOM 1107 C ALA A 71 119.584 2.882 7.160 1.00 0.32 C ATOM 1108 O ALA A 71 120.579 2.485 7.723 1.00 0.32 O ATOM 1109 CB ALA A 71 118.603 5.012 7.999 1.00 0.39 C ATOM 0 H ALA A 71 117.770 5.057 5.664 1.00 0.32 H new ATOM 0 HA ALA A 71 120.373 4.840 6.767 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.143 4.879 8.937 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.478 6.076 7.800 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.624 4.539 8.074 1.00 0.39 H new ATOM 1115 N LYS A 72 118.643 2.051 6.809 1.00 0.30 N ATOM 1116 CA LYS A 72 118.807 0.599 7.113 1.00 0.29 C ATOM 1117 C LYS A 72 119.874 -0.012 6.209 1.00 0.27 C ATOM 1118 O LYS A 72 120.658 -0.844 6.627 1.00 0.27 O ATOM 1119 CB LYS A 72 117.477 -0.119 6.886 1.00 0.29 C ATOM 1120 CG LYS A 72 116.463 0.351 7.930 1.00 1.18 C ATOM 1121 CD LYS A 72 115.129 -0.364 7.708 1.00 1.29 C ATOM 1122 CE LYS A 72 114.121 0.111 8.755 1.00 2.11 C ATOM 1123 NZ LYS A 72 113.809 1.550 8.523 1.00 2.58 N ATOM 0 H LYS A 72 117.779 2.307 6.332 1.00 0.30 H new ATOM 0 HA LYS A 72 119.116 0.486 8.152 1.00 0.29 H new ATOM 0 HB2 LYS A 72 117.105 0.088 5.883 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.616 -1.198 6.958 1.00 0.29 H new ATOM 0 HG2 LYS A 72 116.836 0.143 8.933 1.00 1.18 H new ATOM 0 HG3 LYS A 72 116.325 1.430 7.858 1.00 1.18 H new ATOM 0 HD2 LYS A 72 114.755 -0.157 6.706 1.00 1.29 H new ATOM 0 HD3 LYS A 72 115.265 -1.443 7.781 1.00 1.29 H new ATOM 0 HE2 LYS A 72 113.210 -0.484 8.695 1.00 2.11 H new ATOM 0 HE3 LYS A 72 114.528 -0.028 9.757 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 112.908 1.789 8.985 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 114.569 2.138 8.921 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 113.732 1.728 7.501 1.00 2.58 H new ATOM 1137 N GLN A 73 119.893 0.374 4.968 1.00 0.26 N ATOM 1138 CA GLN A 73 120.881 -0.194 4.015 1.00 0.25 C ATOM 1139 C GLN A 73 122.293 0.268 4.362 1.00 0.25 C ATOM 1140 O GLN A 73 123.244 -0.478 4.245 1.00 0.25 O ATOM 1141 CB GLN A 73 120.514 0.248 2.599 1.00 0.26 C ATOM 1142 CG GLN A 73 119.223 -0.461 2.179 1.00 0.29 C ATOM 1143 CD GLN A 73 118.829 -0.030 0.767 1.00 1.24 C ATOM 1144 OE1 GLN A 73 118.951 -0.794 -0.169 1.00 2.12 O ATOM 1145 NE2 GLN A 73 118.352 1.169 0.574 1.00 1.88 N ATOM 0 H GLN A 73 119.259 1.066 4.568 1.00 0.26 H new ATOM 0 HA GLN A 73 120.858 -1.282 4.079 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.379 1.329 2.564 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.320 0.005 1.907 1.00 0.26 H new ATOM 0 HG2 GLN A 73 119.364 -1.541 2.213 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.422 -0.222 2.879 1.00 0.29 H new ATOM 0 HE21 GLN A 73 118.250 1.810 1.361 1.00 1.88 H new ATOM 0 HE22 GLN A 73 118.081 1.465 -0.364 1.00 1.88 H new ATOM 1154 N SER A 74 122.447 1.494 4.781 1.00 0.26 N ATOM 1155 CA SER A 74 123.803 1.992 5.121 1.00 0.27 C ATOM 1156 C SER A 74 124.330 1.267 6.363 1.00 0.26 C ATOM 1157 O SER A 74 125.500 0.950 6.452 1.00 0.26 O ATOM 1158 CB SER A 74 123.741 3.495 5.390 1.00 0.30 C ATOM 1159 OG SER A 74 123.150 4.145 4.273 1.00 1.36 O ATOM 0 H SER A 74 121.692 2.169 4.901 1.00 0.26 H new ATOM 0 HA SER A 74 124.476 1.799 4.285 1.00 0.27 H new ATOM 0 HB2 SER A 74 123.159 3.692 6.290 1.00 0.30 H new ATOM 0 HB3 SER A 74 124.743 3.887 5.566 1.00 0.30 H new ATOM 0 HG SER A 74 122.181 3.996 4.283 1.00 1.36 H new ATOM 1165 N ARG A 75 123.483 0.994 7.325 1.00 0.27 N ATOM 1166 CA ARG A 75 123.955 0.285 8.548 1.00 0.28 C ATOM 1167 C ARG A 75 124.526 -1.075 8.159 1.00 0.26 C ATOM 1168 O ARG A 75 125.497 -1.528 8.733 1.00 0.27 O ATOM 1169 CB ARG A 75 122.795 0.106 9.526 1.00 0.30 C ATOM 1170 CG ARG A 75 122.426 1.463 10.125 1.00 0.33 C ATOM 1171 CD ARG A 75 121.248 1.297 11.084 1.00 0.61 C ATOM 1172 NE ARG A 75 121.700 0.560 12.295 1.00 1.34 N ATOM 1173 CZ ARG A 75 120.959 0.548 13.366 1.00 1.81 C ATOM 1174 NH1 ARG A 75 119.804 1.157 13.368 1.00 1.88 N ATOM 1175 NH2 ARG A 75 121.369 -0.076 14.435 1.00 2.80 N ATOM 0 H ARG A 75 122.491 1.231 7.314 1.00 0.27 H new ATOM 0 HA ARG A 75 124.733 0.876 9.031 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.935 -0.324 9.013 1.00 0.30 H new ATOM 0 HB3 ARG A 75 123.075 -0.590 10.317 1.00 0.30 H new ATOM 0 HG2 ARG A 75 123.282 1.883 10.653 1.00 0.33 H new ATOM 0 HG3 ARG A 75 122.166 2.164 9.331 1.00 0.33 H new ATOM 0 HD2 ARG A 75 120.852 2.273 11.365 1.00 0.61 H new ATOM 0 HD3 ARG A 75 120.439 0.754 10.595 1.00 0.61 H new ATOM 0 HE ARG A 75 122.591 0.064 12.286 1.00 1.34 H new ATOM 0 HH11 ARG A 75 119.482 1.642 12.531 1.00 1.88 H new ATOM 0 HH12 ARG A 75 119.224 1.147 14.207 1.00 1.88 H new ATOM 0 HH21 ARG A 75 122.270 -0.554 14.432 1.00 2.80 H new ATOM 0 HH22 ARG A 75 120.789 -0.086 15.274 1.00 2.80 H new ATOM 1189 N ASP A 76 123.936 -1.752 7.210 1.00 0.25 N ATOM 1190 CA ASP A 76 124.442 -3.092 6.814 1.00 0.24 C ATOM 1191 C ASP A 76 125.802 -2.966 6.135 1.00 0.23 C ATOM 1192 O ASP A 76 126.690 -3.762 6.369 1.00 0.23 O ATOM 1193 CB ASP A 76 123.453 -3.750 5.850 1.00 0.24 C ATOM 1194 CG ASP A 76 122.179 -4.129 6.607 1.00 0.25 C ATOM 1195 OD1 ASP A 76 122.242 -4.225 7.822 1.00 0.40 O ATOM 1196 OD2 ASP A 76 121.164 -4.323 5.960 1.00 0.39 O ATOM 0 H ASP A 76 123.120 -1.429 6.691 1.00 0.25 H new ATOM 0 HA ASP A 76 124.547 -3.705 7.709 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.215 -3.067 5.034 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.901 -4.637 5.402 1.00 0.24 H new ATOM 1201 N CYS A 77 125.994 -1.974 5.310 1.00 0.22 N ATOM 1202 CA CYS A 77 127.317 -1.824 4.651 1.00 0.22 C ATOM 1203 C CYS A 77 128.362 -1.476 5.709 1.00 0.22 C ATOM 1204 O CYS A 77 129.478 -1.951 5.668 1.00 0.21 O ATOM 1205 CB CYS A 77 127.250 -0.701 3.615 1.00 0.23 C ATOM 1206 SG CYS A 77 126.286 -1.254 2.188 1.00 0.24 S ATOM 0 H CYS A 77 125.299 -1.269 5.067 1.00 0.22 H new ATOM 0 HA CYS A 77 127.588 -2.756 4.154 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.794 0.186 4.054 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.256 -0.420 3.301 1.00 0.23 H new ATOM 0 HG CYS A 77 126.168 -2.548 2.220 1.00 0.24 H new ATOM 1212 N PHE A 78 128.022 -0.642 6.651 1.00 0.23 N ATOM 1213 CA PHE A 78 129.022 -0.271 7.685 1.00 0.25 C ATOM 1214 C PHE A 78 129.493 -1.522 8.422 1.00 0.24 C ATOM 1215 O PHE A 78 130.661 -1.854 8.418 1.00 0.23 O ATOM 1216 CB PHE A 78 128.380 0.698 8.678 1.00 0.29 C ATOM 1217 CG PHE A 78 129.365 1.017 9.773 1.00 0.32 C ATOM 1218 CD1 PHE A 78 130.242 2.096 9.630 1.00 0.36 C ATOM 1219 CD2 PHE A 78 129.400 0.234 10.933 1.00 0.38 C ATOM 1220 CE1 PHE A 78 131.157 2.394 10.646 1.00 0.41 C ATOM 1221 CE2 PHE A 78 130.314 0.531 11.950 1.00 0.43 C ATOM 1222 CZ PHE A 78 131.193 1.611 11.805 1.00 0.43 C ATOM 0 H PHE A 78 127.105 -0.206 6.748 1.00 0.23 H new ATOM 0 HA PHE A 78 129.879 0.205 7.208 1.00 0.25 H new ATOM 0 HB2 PHE A 78 128.078 1.612 8.167 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.478 0.257 9.102 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.213 2.700 8.735 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.722 -0.599 11.043 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.835 3.228 10.536 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.341 -0.072 12.846 1.00 0.43 H new ATOM 0 HZ PHE A 78 131.900 1.840 12.589 1.00 0.43 H new ATOM 1232 N GLY A 79 128.595 -2.214 9.067 1.00 0.25 N ATOM 1233 CA GLY A 79 128.988 -3.439 9.817 1.00 0.26 C ATOM 1234 C GLY A 79 129.514 -4.509 8.858 1.00 0.24 C ATOM 1235 O GLY A 79 130.402 -5.266 9.185 1.00 0.24 O ATOM 0 H GLY A 79 127.602 -1.983 9.107 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.754 -3.192 10.552 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.131 -3.826 10.368 1.00 0.26 H new ATOM 1239 N CYS A 80 128.982 -4.580 7.674 1.00 0.22 N ATOM 1240 CA CYS A 80 129.470 -5.609 6.714 1.00 0.22 C ATOM 1241 C CYS A 80 130.890 -5.261 6.266 1.00 0.22 C ATOM 1242 O CYS A 80 131.785 -6.081 6.322 1.00 0.23 O ATOM 1243 CB CYS A 80 128.542 -5.660 5.504 1.00 0.22 C ATOM 1244 SG CYS A 80 129.116 -6.934 4.354 1.00 0.25 S ATOM 0 H CYS A 80 128.236 -3.976 7.329 1.00 0.22 H new ATOM 0 HA CYS A 80 129.478 -6.584 7.201 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.523 -5.876 5.823 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.521 -4.690 5.007 1.00 0.22 H new ATOM 0 HG CYS A 80 129.190 -6.436 3.156 1.00 0.25 H new ATOM 1250 N LEU A 81 131.114 -4.048 5.849 1.00 0.21 N ATOM 1251 CA LEU A 81 132.494 -3.670 5.437 1.00 0.21 C ATOM 1252 C LEU A 81 133.389 -3.613 6.681 1.00 0.22 C ATOM 1253 O LEU A 81 134.531 -4.028 6.653 1.00 0.22 O ATOM 1254 CB LEU A 81 132.473 -2.298 4.754 1.00 0.22 C ATOM 1255 CG LEU A 81 131.609 -2.348 3.484 1.00 0.24 C ATOM 1256 CD1 LEU A 81 131.567 -0.952 2.855 1.00 0.30 C ATOM 1257 CD2 LEU A 81 132.199 -3.351 2.475 1.00 0.28 C ATOM 0 H LEU A 81 130.413 -3.311 5.776 1.00 0.21 H new ATOM 0 HA LEU A 81 132.883 -4.409 4.737 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.080 -1.548 5.441 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.489 -1.995 4.499 1.00 0.22 H new ATOM 0 HG LEU A 81 130.601 -2.669 3.747 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.956 -0.978 1.953 1.00 0.30 H new ATOM 0 HD12 LEU A 81 131.136 -0.246 3.565 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.579 -0.638 2.599 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.577 -3.376 1.580 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.210 -3.044 2.206 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.229 -4.344 2.924 1.00 0.28 H new ATOM 1269 N ARG A 82 132.882 -3.098 7.772 1.00 0.22 N ATOM 1270 CA ARG A 82 133.713 -3.013 9.012 1.00 0.24 C ATOM 1271 C ARG A 82 134.094 -4.415 9.489 1.00 0.25 C ATOM 1272 O ARG A 82 135.200 -4.648 9.933 1.00 0.26 O ATOM 1273 CB ARG A 82 132.939 -2.291 10.118 1.00 0.28 C ATOM 1274 CG ARG A 82 133.850 -2.111 11.339 1.00 0.33 C ATOM 1275 CD ARG A 82 133.087 -1.385 12.445 1.00 0.84 C ATOM 1276 NE ARG A 82 133.975 -1.199 13.627 1.00 1.41 N ATOM 1277 CZ ARG A 82 133.647 -0.345 14.558 1.00 1.95 C ATOM 1278 NH1 ARG A 82 132.540 0.338 14.452 1.00 2.25 N ATOM 1279 NH2 ARG A 82 134.425 -0.171 15.591 1.00 2.73 N ATOM 0 H ARG A 82 131.933 -2.734 7.858 1.00 0.22 H new ATOM 0 HA ARG A 82 134.620 -2.453 8.783 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.593 -1.321 9.762 1.00 0.28 H new ATOM 0 HB3 ARG A 82 132.053 -2.864 10.392 1.00 0.28 H new ATOM 0 HG2 ARG A 82 134.192 -3.082 11.696 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.738 -1.542 11.062 1.00 0.33 H new ATOM 0 HD2 ARG A 82 132.737 -0.418 12.085 1.00 0.84 H new ATOM 0 HD3 ARG A 82 132.204 -1.958 12.728 1.00 0.84 H new ATOM 0 HE ARG A 82 134.837 -1.738 13.708 1.00 1.41 H new ATOM 0 HH11 ARG A 82 131.933 0.204 13.643 1.00 2.25 H new ATOM 0 HH12 ARG A 82 132.281 1.006 15.178 1.00 2.25 H new ATOM 0 HH21 ARG A 82 135.292 -0.703 15.672 1.00 2.73 H new ATOM 0 HH22 ARG A 82 134.167 0.497 16.317 1.00 2.73 H new ATOM 1293 N GLU A 83 133.187 -5.352 9.414 1.00 0.25 N ATOM 1294 CA GLU A 83 133.503 -6.731 9.877 1.00 0.28 C ATOM 1295 C GLU A 83 134.513 -7.380 8.930 1.00 0.27 C ATOM 1296 O GLU A 83 135.392 -8.100 9.359 1.00 0.29 O ATOM 1297 CB GLU A 83 132.219 -7.564 9.933 1.00 0.30 C ATOM 1298 CG GLU A 83 131.373 -7.112 11.129 1.00 0.33 C ATOM 1299 CD GLU A 83 132.005 -7.614 12.430 1.00 1.19 C ATOM 1300 OE1 GLU A 83 132.780 -8.553 12.368 1.00 1.91 O ATOM 1301 OE2 GLU A 83 131.700 -7.049 13.468 1.00 1.56 O ATOM 0 H GLU A 83 132.242 -5.221 9.052 1.00 0.25 H new ATOM 0 HA GLU A 83 133.939 -6.684 10.875 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.654 -7.445 9.008 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.462 -8.623 10.024 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.301 -6.025 11.145 1.00 0.33 H new ATOM 0 HG3 GLU A 83 130.358 -7.498 11.035 1.00 0.33 H new ATOM 1308 N TRP A 84 134.422 -7.125 7.651 1.00 0.25 N ATOM 1309 CA TRP A 84 135.411 -7.725 6.714 1.00 0.25 C ATOM 1310 C TRP A 84 136.798 -7.234 7.135 1.00 0.27 C ATOM 1311 O TRP A 84 137.751 -7.986 7.188 1.00 0.28 O ATOM 1312 CB TRP A 84 135.102 -7.270 5.284 1.00 0.25 C ATOM 1313 CG TRP A 84 135.982 -8.003 4.322 1.00 0.27 C ATOM 1314 CD1 TRP A 84 135.630 -9.123 3.647 1.00 0.30 C ATOM 1315 CD2 TRP A 84 137.347 -7.694 3.917 1.00 0.30 C ATOM 1316 NE1 TRP A 84 136.690 -9.517 2.853 1.00 0.33 N ATOM 1317 CE2 TRP A 84 137.771 -8.671 2.986 1.00 0.32 C ATOM 1318 CE3 TRP A 84 138.251 -6.673 4.263 1.00 0.31 C ATOM 1319 CZ2 TRP A 84 139.043 -8.638 2.418 1.00 0.36 C ATOM 1320 CZ3 TRP A 84 139.534 -6.637 3.693 1.00 0.35 C ATOM 1321 CH2 TRP A 84 139.928 -7.619 2.773 1.00 0.37 C ATOM 0 H TRP A 84 133.712 -6.533 7.220 1.00 0.25 H new ATOM 0 HA TRP A 84 135.368 -8.814 6.745 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.054 -7.459 5.050 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.261 -6.196 5.191 1.00 0.25 H new ATOM 0 HD1 TRP A 84 134.677 -9.626 3.718 1.00 0.30 H new ATOM 0 HE1 TRP A 84 136.675 -10.334 2.243 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.957 -5.912 4.971 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.342 -9.395 1.708 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.221 -5.849 3.965 1.00 0.35 H new ATOM 0 HH2 TRP A 84 140.916 -7.587 2.339 1.00 0.37 H new ATOM 1332 N CYS A 85 136.906 -5.973 7.456 1.00 0.27 N ATOM 1333 CA CYS A 85 138.221 -5.429 7.898 1.00 0.30 C ATOM 1334 C CYS A 85 138.627 -6.111 9.207 1.00 0.33 C ATOM 1335 O CYS A 85 139.775 -6.446 9.419 1.00 0.36 O ATOM 1336 CB CYS A 85 138.100 -3.921 8.133 1.00 0.33 C ATOM 1337 SG CYS A 85 137.894 -3.074 6.548 1.00 0.33 S ATOM 0 H CYS A 85 136.142 -5.298 7.431 1.00 0.27 H new ATOM 0 HA CYS A 85 138.972 -5.617 7.130 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.250 -3.711 8.782 1.00 0.33 H new ATOM 0 HB3 CYS A 85 138.989 -3.550 8.642 1.00 0.33 H new ATOM 0 HG CYS A 85 136.655 -3.164 6.166 1.00 0.33 H new ATOM 1343 N ASP A 86 137.685 -6.321 10.083 1.00 0.34 N ATOM 1344 CA ASP A 86 137.995 -6.981 11.381 1.00 0.39 C ATOM 1345 C ASP A 86 138.557 -8.380 11.126 1.00 0.41 C ATOM 1346 O ASP A 86 139.440 -8.842 11.821 1.00 0.43 O ATOM 1347 CB ASP A 86 136.723 -7.091 12.219 1.00 0.41 C ATOM 1348 CG ASP A 86 136.292 -5.694 12.672 1.00 0.42 C ATOM 1349 OD1 ASP A 86 137.121 -4.801 12.639 1.00 0.55 O ATOM 1350 OD2 ASP A 86 135.140 -5.542 13.044 1.00 0.51 O ATOM 0 H ASP A 86 136.707 -6.062 9.954 1.00 0.34 H new ATOM 0 HA ASP A 86 138.733 -6.385 11.918 1.00 0.39 H new ATOM 0 HB2 ASP A 86 135.929 -7.558 11.636 1.00 0.41 H new ATOM 0 HB3 ASP A 86 136.899 -7.728 13.085 1.00 0.41 H new ATOM 1355 N ALA A 87 138.035 -9.069 10.145 1.00 0.41 N ATOM 1356 CA ALA A 87 138.519 -10.450 9.858 1.00 0.43 C ATOM 1357 C ALA A 87 139.742 -10.394 8.945 1.00 0.43 C ATOM 1358 O ALA A 87 140.671 -11.163 9.096 1.00 0.48 O ATOM 1359 CB ALA A 87 137.409 -11.241 9.162 1.00 0.41 C ATOM 0 H ALA A 87 137.294 -8.734 9.530 1.00 0.41 H new ATOM 0 HA ALA A 87 138.790 -10.936 10.795 1.00 0.43 H new ATOM 0 HB1 ALA A 87 137.760 -12.251 8.951 1.00 0.41 H new ATOM 0 HB2 ALA A 87 136.534 -11.289 9.811 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.141 -10.747 8.228 1.00 0.41 H new ATOM 1365 N PHE A 88 139.747 -9.507 7.984 1.00 0.40 N ATOM 1366 CA PHE A 88 140.909 -9.428 7.047 1.00 0.44 C ATOM 1367 C PHE A 88 141.853 -8.304 7.467 1.00 0.54 C ATOM 1368 O PHE A 88 142.866 -8.534 8.100 1.00 1.24 O ATOM 1369 CB PHE A 88 140.400 -9.122 5.636 1.00 0.41 C ATOM 1370 CG PHE A 88 139.742 -10.342 5.040 1.00 0.39 C ATOM 1371 CD1 PHE A 88 140.508 -11.257 4.310 1.00 0.44 C ATOM 1372 CD2 PHE A 88 138.369 -10.553 5.205 1.00 0.35 C ATOM 1373 CE1 PHE A 88 139.902 -12.385 3.747 1.00 0.47 C ATOM 1374 CE2 PHE A 88 137.762 -11.679 4.639 1.00 0.40 C ATOM 1375 CZ PHE A 88 138.528 -12.595 3.910 1.00 0.45 C ATOM 0 H PHE A 88 139.000 -8.836 7.807 1.00 0.40 H new ATOM 0 HA PHE A 88 141.439 -10.380 7.068 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.689 -8.297 5.670 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.229 -8.803 5.004 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.568 -11.092 4.181 1.00 0.44 H new ATOM 0 HD2 PHE A 88 137.778 -9.847 5.769 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.494 -13.093 3.187 1.00 0.47 H new ATOM 0 HE2 PHE A 88 136.702 -11.841 4.765 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.059 -13.464 3.473 1.00 0.45 H new ATOM 1453 N SER B 4 163.567 -2.008 1.488 1.00 0.63 N ATOM 1454 CA SER B 4 164.117 -2.579 2.749 1.00 0.62 C ATOM 1455 C SER B 4 163.270 -3.781 3.177 1.00 0.60 C ATOM 1456 O SER B 4 162.250 -4.081 2.591 1.00 0.58 O ATOM 1457 CB SER B 4 164.075 -1.513 3.847 1.00 0.63 C ATOM 1458 OG SER B 4 164.709 -2.014 5.016 1.00 1.50 O ATOM 0 HA SER B 4 165.146 -2.898 2.586 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.576 -0.606 3.508 1.00 0.63 H new ATOM 0 HB3 SER B 4 163.042 -1.243 4.067 1.00 0.63 H new ATOM 0 HG SER B 4 164.684 -1.332 5.719 1.00 1.50 H new ATOM 1464 N GLN B 5 163.705 -4.475 4.194 1.00 0.63 N ATOM 1465 CA GLN B 5 162.958 -5.673 4.681 1.00 0.64 C ATOM 1466 C GLN B 5 161.509 -5.302 4.988 1.00 0.60 C ATOM 1467 O GLN B 5 160.650 -6.155 5.085 1.00 0.60 O ATOM 1468 CB GLN B 5 163.609 -6.190 5.963 1.00 0.71 C ATOM 1469 CG GLN B 5 164.976 -6.798 5.648 1.00 1.34 C ATOM 1470 CD GLN B 5 165.632 -7.252 6.953 1.00 1.59 C ATOM 1471 OE1 GLN B 5 165.366 -6.700 8.002 1.00 2.09 O ATOM 1472 NE2 GLN B 5 166.481 -8.242 6.935 1.00 2.18 N ATOM 0 H GLN B 5 164.556 -4.261 4.715 1.00 0.63 H new ATOM 0 HA GLN B 5 162.983 -6.440 3.907 1.00 0.64 H new ATOM 0 HB2 GLN B 5 163.721 -5.375 6.678 1.00 0.71 H new ATOM 0 HB3 GLN B 5 162.968 -6.938 6.430 1.00 0.71 H new ATOM 0 HG2 GLN B 5 164.865 -7.643 4.969 1.00 1.34 H new ATOM 0 HG3 GLN B 5 165.607 -6.065 5.145 1.00 1.34 H new ATOM 0 HE21 GLN B 5 166.705 -8.706 6.055 1.00 2.18 H new ATOM 0 HE22 GLN B 5 166.921 -8.552 7.801 1.00 2.18 H new ATOM 1481 N LYS B 6 161.227 -4.039 5.163 1.00 0.59 N ATOM 1482 CA LYS B 6 159.836 -3.623 5.487 1.00 0.57 C ATOM 1483 C LYS B 6 158.893 -4.054 4.361 1.00 0.51 C ATOM 1484 O LYS B 6 157.763 -4.431 4.600 1.00 0.50 O ATOM 1485 CB LYS B 6 159.787 -2.101 5.632 1.00 0.58 C ATOM 1486 CG LYS B 6 160.600 -1.680 6.859 1.00 0.66 C ATOM 1487 CD LYS B 6 160.552 -0.157 7.004 1.00 0.80 C ATOM 1488 CE LYS B 6 161.363 0.265 8.231 1.00 1.25 C ATOM 1489 NZ LYS B 6 161.024 1.672 8.589 1.00 2.01 N ATOM 0 H LYS B 6 161.902 -3.278 5.095 1.00 0.59 H new ATOM 0 HA LYS B 6 159.524 -4.094 6.419 1.00 0.57 H new ATOM 0 HB2 LYS B 6 160.188 -1.626 4.736 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.754 -1.768 5.735 1.00 0.58 H new ATOM 0 HG2 LYS B 6 160.199 -2.154 7.755 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.632 -2.014 6.757 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.954 0.317 6.109 1.00 0.80 H new ATOM 0 HD3 LYS B 6 159.519 0.177 7.105 1.00 0.80 H new ATOM 0 HE2 LYS B 6 161.146 -0.397 9.069 1.00 1.25 H new ATOM 0 HE3 LYS B 6 162.429 0.178 8.023 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 161.575 1.960 9.423 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 161.252 2.298 7.790 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 160.009 1.741 8.804 1.00 2.01 H new ATOM 1503 N HIS B 7 159.334 -3.989 3.136 1.00 0.49 N ATOM 1504 CA HIS B 7 158.440 -4.380 2.008 1.00 0.45 C ATOM 1505 C HIS B 7 158.002 -5.840 2.150 1.00 0.45 C ATOM 1506 O HIS B 7 156.829 -6.151 2.077 1.00 0.43 O ATOM 1507 CB HIS B 7 159.195 -4.199 0.684 1.00 0.45 C ATOM 1508 CG HIS B 7 158.400 -4.787 -0.454 1.00 0.42 C ATOM 1509 ND1 HIS B 7 157.637 -4.011 -1.317 1.00 0.39 N ATOM 1510 CD2 HIS B 7 158.245 -6.084 -0.883 1.00 0.45 C ATOM 1511 CE1 HIS B 7 157.067 -4.841 -2.213 1.00 0.38 C ATOM 1512 NE2 HIS B 7 157.407 -6.111 -1.990 1.00 0.42 N ATOM 0 H HIS B 7 160.269 -3.684 2.867 1.00 0.49 H new ATOM 0 HA HIS B 7 157.552 -3.748 2.023 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.375 -3.140 0.502 1.00 0.45 H new ATOM 0 HB3 HIS B 7 160.170 -4.683 0.744 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.705 -6.949 -0.429 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.416 -4.518 -3.012 1.00 0.38 H new ATOM 0 HE2 HIS B 7 157.113 -6.931 -2.521 1.00 0.42 H new ATOM 1520 N ARG B 8 158.929 -6.744 2.352 1.00 0.48 N ATOM 1521 CA ARG B 8 158.563 -8.181 2.495 1.00 0.50 C ATOM 1522 C ARG B 8 157.837 -8.399 3.819 1.00 0.51 C ATOM 1523 O ARG B 8 156.964 -9.237 3.930 1.00 0.51 O ATOM 1524 CB ARG B 8 159.837 -9.042 2.465 1.00 0.55 C ATOM 1525 CG ARG B 8 160.432 -9.089 1.042 1.00 0.57 C ATOM 1526 CD ARG B 8 161.350 -7.885 0.806 1.00 1.00 C ATOM 1527 NE ARG B 8 161.979 -8.005 -0.541 1.00 1.70 N ATOM 1528 CZ ARG B 8 162.591 -6.981 -1.070 1.00 2.29 C ATOM 1529 NH1 ARG B 8 162.665 -5.856 -0.415 1.00 2.43 N ATOM 1530 NH2 ARG B 8 163.132 -7.085 -2.252 1.00 3.23 N ATOM 0 H ARG B 8 159.927 -6.544 2.424 1.00 0.48 H new ATOM 0 HA ARG B 8 157.908 -8.468 1.672 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.573 -8.635 3.159 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.606 -10.053 2.801 1.00 0.55 H new ATOM 0 HG2 ARG B 8 160.993 -10.014 0.906 1.00 0.57 H new ATOM 0 HG3 ARG B 8 159.629 -9.092 0.305 1.00 0.57 H new ATOM 0 HD2 ARG B 8 160.779 -6.959 0.873 1.00 1.00 H new ATOM 0 HD3 ARG B 8 162.119 -7.842 1.577 1.00 1.00 H new ATOM 0 HE ARG B 8 161.931 -8.888 -1.049 1.00 1.70 H new ATOM 0 HH11 ARG B 8 162.245 -5.776 0.511 1.00 2.43 H new ATOM 0 HH12 ARG B 8 163.143 -5.056 -0.828 1.00 2.43 H new ATOM 0 HH21 ARG B 8 163.077 -7.966 -2.762 1.00 3.23 H new ATOM 0 HH22 ARG B 8 163.610 -6.285 -2.666 1.00 3.23 H new ATOM 1544 N ASP B 9 158.191 -7.657 4.823 1.00 0.52 N ATOM 1545 CA ASP B 9 157.525 -7.826 6.141 1.00 0.54 C ATOM 1546 C ASP B 9 156.082 -7.334 6.044 1.00 0.49 C ATOM 1547 O ASP B 9 155.175 -7.913 6.607 1.00 0.48 O ATOM 1548 CB ASP B 9 158.267 -7.015 7.201 1.00 0.61 C ATOM 1549 CG ASP B 9 159.627 -7.657 7.478 1.00 0.68 C ATOM 1550 OD1 ASP B 9 159.799 -8.811 7.124 1.00 0.67 O ATOM 1551 OD2 ASP B 9 160.475 -6.982 8.041 1.00 0.76 O ATOM 0 H ASP B 9 158.914 -6.938 4.790 1.00 0.52 H new ATOM 0 HA ASP B 9 157.537 -8.880 6.420 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.401 -5.988 6.860 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.680 -6.973 8.118 1.00 0.61 H new ATOM 1556 N PHE B 10 155.868 -6.255 5.343 1.00 0.46 N ATOM 1557 CA PHE B 10 154.488 -5.708 5.218 1.00 0.43 C ATOM 1558 C PHE B 10 153.582 -6.702 4.481 1.00 0.37 C ATOM 1559 O PHE B 10 152.484 -6.991 4.916 1.00 0.36 O ATOM 1560 CB PHE B 10 154.546 -4.389 4.444 1.00 0.45 C ATOM 1561 CG PHE B 10 153.204 -3.704 4.506 1.00 0.43 C ATOM 1562 CD1 PHE B 10 152.895 -2.880 5.594 1.00 0.44 C ATOM 1563 CD2 PHE B 10 152.272 -3.884 3.477 1.00 0.43 C ATOM 1564 CE1 PHE B 10 151.656 -2.236 5.655 1.00 0.44 C ATOM 1565 CE2 PHE B 10 151.030 -3.239 3.538 1.00 0.43 C ATOM 1566 CZ PHE B 10 150.724 -2.414 4.627 1.00 0.43 C ATOM 0 H PHE B 10 156.590 -5.728 4.851 1.00 0.46 H new ATOM 0 HA PHE B 10 154.076 -5.539 6.213 1.00 0.43 H new ATOM 0 HB2 PHE B 10 155.315 -3.742 4.866 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.822 -4.577 3.406 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.615 -2.742 6.387 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.510 -4.520 2.637 1.00 0.43 H new ATOM 0 HE1 PHE B 10 151.418 -1.601 6.496 1.00 0.44 H new ATOM 0 HE2 PHE B 10 150.309 -3.378 2.746 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.768 -1.915 4.673 1.00 0.43 H new ATOM 1576 N VAL B 11 154.021 -7.218 3.364 1.00 0.37 N ATOM 1577 CA VAL B 11 153.174 -8.181 2.596 1.00 0.35 C ATOM 1578 C VAL B 11 153.329 -9.599 3.161 1.00 0.36 C ATOM 1579 O VAL B 11 152.869 -10.557 2.572 1.00 0.37 O ATOM 1580 CB VAL B 11 153.601 -8.168 1.128 1.00 0.37 C ATOM 1581 CG1 VAL B 11 153.488 -6.744 0.577 1.00 0.44 C ATOM 1582 CG2 VAL B 11 155.048 -8.644 1.016 1.00 0.40 C ATOM 0 H VAL B 11 154.930 -7.015 2.949 1.00 0.37 H new ATOM 0 HA VAL B 11 152.130 -7.882 2.682 1.00 0.35 H new ATOM 0 HB VAL B 11 152.954 -8.832 0.554 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.792 -6.734 -0.470 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.456 -6.403 0.658 1.00 0.44 H new ATOM 0 HG13 VAL B 11 154.135 -6.080 1.150 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.354 -8.635 -0.030 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.695 -7.980 1.589 1.00 0.40 H new ATOM 0 HG23 VAL B 11 155.129 -9.657 1.409 1.00 0.40 H new ATOM 1592 N ALA B 12 153.952 -9.738 4.307 1.00 0.41 N ATOM 1593 CA ALA B 12 154.122 -11.094 4.929 1.00 0.47 C ATOM 1594 C ALA B 12 153.219 -11.217 6.159 1.00 0.45 C ATOM 1595 O ALA B 12 153.013 -12.293 6.682 1.00 0.48 O ATOM 1596 CB ALA B 12 155.576 -11.290 5.356 1.00 0.53 C ATOM 0 H ALA B 12 154.353 -8.968 4.842 1.00 0.41 H new ATOM 0 HA ALA B 12 153.850 -11.854 4.197 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.693 -12.276 5.807 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.225 -11.210 4.484 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.848 -10.524 6.082 1.00 0.53 H new ATOM 1602 N GLU B 13 152.671 -10.125 6.624 1.00 0.42 N ATOM 1603 CA GLU B 13 151.778 -10.188 7.820 1.00 0.43 C ATOM 1604 C GLU B 13 150.808 -8.996 7.794 1.00 0.39 C ATOM 1605 O GLU B 13 151.142 -7.944 7.286 1.00 0.36 O ATOM 1606 CB GLU B 13 152.628 -10.124 9.096 1.00 0.46 C ATOM 1607 CG GLU B 13 153.752 -9.093 8.919 1.00 0.48 C ATOM 1608 CD GLU B 13 154.279 -8.660 10.290 1.00 0.62 C ATOM 1609 OE1 GLU B 13 154.471 -9.525 11.130 1.00 1.27 O ATOM 1610 OE2 GLU B 13 154.481 -7.471 10.477 1.00 1.04 O ATOM 0 H GLU B 13 152.802 -9.194 6.229 1.00 0.42 H new ATOM 0 HA GLU B 13 151.213 -11.120 7.805 1.00 0.43 H new ATOM 0 HB2 GLU B 13 152.003 -9.853 9.947 1.00 0.46 H new ATOM 0 HB3 GLU B 13 153.052 -11.105 9.312 1.00 0.46 H new ATOM 0 HG2 GLU B 13 154.561 -9.521 8.327 1.00 0.48 H new ATOM 0 HG3 GLU B 13 153.380 -8.227 8.372 1.00 0.48 H new ATOM 1617 N PRO B 14 149.627 -9.132 8.358 1.00 0.42 N ATOM 1618 CA PRO B 14 148.648 -8.011 8.404 1.00 0.40 C ATOM 1619 C PRO B 14 149.346 -6.687 8.747 1.00 0.36 C ATOM 1620 O PRO B 14 150.417 -6.683 9.320 1.00 0.36 O ATOM 1621 CB PRO B 14 147.681 -8.426 9.520 1.00 0.45 C ATOM 1622 CG PRO B 14 147.715 -9.926 9.536 1.00 0.49 C ATOM 1623 CD PRO B 14 149.097 -10.348 9.004 1.00 0.48 C ATOM 0 HA PRO B 14 148.148 -7.844 7.450 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.990 -8.015 10.481 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.674 -8.057 9.325 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.558 -10.305 10.546 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.920 -10.337 8.914 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.748 -10.685 9.811 1.00 0.48 H new ATOM 0 HD3 PRO B 14 149.015 -11.172 8.295 1.00 0.48 H new ATOM 1631 N MET B 15 148.762 -5.566 8.407 1.00 0.35 N ATOM 1632 CA MET B 15 149.421 -4.260 8.730 1.00 0.34 C ATOM 1633 C MET B 15 148.913 -3.737 10.078 1.00 0.35 C ATOM 1634 O MET B 15 149.573 -2.961 10.741 1.00 0.37 O ATOM 1635 CB MET B 15 149.119 -3.235 7.633 1.00 0.36 C ATOM 1636 CG MET B 15 147.619 -3.188 7.343 1.00 0.40 C ATOM 1637 SD MET B 15 147.226 -1.601 6.554 1.00 0.56 S ATOM 1638 CE MET B 15 146.861 -2.219 4.891 1.00 0.42 C ATOM 0 H MET B 15 147.866 -5.496 7.924 1.00 0.35 H new ATOM 0 HA MET B 15 150.498 -4.414 8.788 1.00 0.34 H new ATOM 0 HB2 MET B 15 149.467 -2.249 7.942 1.00 0.36 H new ATOM 0 HB3 MET B 15 149.663 -3.494 6.725 1.00 0.36 H new ATOM 0 HG2 MET B 15 147.334 -4.014 6.692 1.00 0.40 H new ATOM 0 HG3 MET B 15 147.052 -3.301 8.267 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.994 -1.415 4.167 1.00 0.42 H new ATOM 0 HE2 MET B 15 147.537 -3.040 4.651 1.00 0.42 H new ATOM 0 HE3 MET B 15 145.831 -2.574 4.853 1.00 0.42 H new ATOM 1648 N GLY B 16 147.749 -4.163 10.490 1.00 0.36 N ATOM 1649 CA GLY B 16 147.200 -3.700 11.798 1.00 0.39 C ATOM 1650 C GLY B 16 147.085 -2.174 11.809 1.00 0.38 C ATOM 1651 O GLY B 16 146.661 -1.566 10.846 1.00 0.37 O ATOM 0 H GLY B 16 147.154 -4.813 9.976 1.00 0.36 H new ATOM 0 HA2 GLY B 16 146.221 -4.148 11.969 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.848 -4.030 12.610 1.00 0.39 H new ATOM 1655 N GLU B 17 147.439 -1.555 12.907 1.00 0.40 N ATOM 1656 CA GLU B 17 147.332 -0.066 13.018 1.00 0.41 C ATOM 1657 C GLU B 17 148.715 0.570 12.885 1.00 0.38 C ATOM 1658 O GLU B 17 148.975 1.624 13.432 1.00 0.39 O ATOM 1659 CB GLU B 17 146.738 0.285 14.384 1.00 0.46 C ATOM 1660 CG GLU B 17 145.287 -0.200 14.442 1.00 0.50 C ATOM 1661 CD GLU B 17 144.689 0.124 15.812 1.00 0.55 C ATOM 1662 OE1 GLU B 17 145.424 0.603 16.660 1.00 0.73 O ATOM 1663 OE2 GLU B 17 143.508 -0.119 15.993 1.00 0.84 O ATOM 0 H GLU B 17 147.801 -2.021 13.739 1.00 0.40 H new ATOM 0 HA GLU B 17 146.692 0.314 12.222 1.00 0.41 H new ATOM 0 HB2 GLU B 17 147.322 -0.181 15.178 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.781 1.362 14.547 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.702 0.279 13.657 1.00 0.50 H new ATOM 0 HG3 GLU B 17 145.245 -1.274 14.261 1.00 0.50 H new ATOM 1670 N LYS B 18 149.606 -0.051 12.161 1.00 0.36 N ATOM 1671 CA LYS B 18 150.963 0.540 12.000 1.00 0.35 C ATOM 1672 C LYS B 18 150.800 1.921 11.346 1.00 0.31 C ATOM 1673 O LYS B 18 149.865 2.144 10.602 1.00 0.30 O ATOM 1674 CB LYS B 18 151.811 -0.370 11.103 1.00 0.35 C ATOM 1675 CG LYS B 18 152.181 -1.646 11.868 1.00 0.45 C ATOM 1676 CD LYS B 18 152.990 -2.574 10.957 1.00 1.16 C ATOM 1677 CE LYS B 18 153.439 -3.806 11.746 1.00 1.44 C ATOM 1678 NZ LYS B 18 153.968 -4.834 10.804 1.00 2.02 N ATOM 0 H LYS B 18 149.454 -0.936 11.677 1.00 0.36 H new ATOM 0 HA LYS B 18 151.460 0.638 12.965 1.00 0.35 H new ATOM 0 HB2 LYS B 18 151.258 -0.624 10.199 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.714 0.152 10.788 1.00 0.35 H new ATOM 0 HG2 LYS B 18 152.761 -1.395 12.756 1.00 0.45 H new ATOM 0 HG3 LYS B 18 151.278 -2.152 12.210 1.00 0.45 H new ATOM 0 HD2 LYS B 18 152.386 -2.878 10.102 1.00 1.16 H new ATOM 0 HD3 LYS B 18 153.858 -2.046 10.562 1.00 1.16 H new ATOM 0 HE2 LYS B 18 154.207 -3.529 12.468 1.00 1.44 H new ATOM 0 HE3 LYS B 18 152.602 -4.213 12.313 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 154.003 -5.757 11.281 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 153.345 -4.897 9.973 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 154.926 -4.566 10.499 1.00 2.02 H new ATOM 1692 N PRO B 19 151.670 2.856 11.645 1.00 0.31 N ATOM 1693 CA PRO B 19 151.571 4.246 11.096 1.00 0.29 C ATOM 1694 C PRO B 19 151.753 4.310 9.575 1.00 0.25 C ATOM 1695 O PRO B 19 152.275 3.405 8.954 1.00 0.23 O ATOM 1696 CB PRO B 19 152.695 5.008 11.824 1.00 0.32 C ATOM 1697 CG PRO B 19 153.671 3.953 12.233 1.00 0.32 C ATOM 1698 CD PRO B 19 152.842 2.705 12.526 1.00 0.34 C ATOM 0 HA PRO B 19 150.581 4.670 11.262 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.161 5.745 11.170 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.310 5.548 12.689 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.395 3.763 11.441 1.00 0.32 H new ATOM 0 HG3 PRO B 19 154.235 4.263 13.113 1.00 0.32 H new ATOM 0 HD2 PRO B 19 153.397 1.793 12.304 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.551 2.653 13.575 1.00 0.34 H new ATOM 1706 N VAL B 20 151.313 5.387 8.980 1.00 0.24 N ATOM 1707 CA VAL B 20 151.438 5.545 7.504 1.00 0.22 C ATOM 1708 C VAL B 20 152.905 5.430 7.084 1.00 0.21 C ATOM 1709 O VAL B 20 153.249 4.715 6.164 1.00 0.22 O ATOM 1710 CB VAL B 20 150.883 6.918 7.097 1.00 0.26 C ATOM 1711 CG1 VAL B 20 151.629 8.030 7.846 1.00 0.32 C ATOM 1712 CG2 VAL B 20 151.052 7.116 5.584 1.00 0.28 C ATOM 0 H VAL B 20 150.869 6.170 9.459 1.00 0.24 H new ATOM 0 HA VAL B 20 150.871 4.758 7.006 1.00 0.22 H new ATOM 0 HB VAL B 20 149.825 6.962 7.354 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.228 9.000 7.551 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.499 7.896 8.920 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.690 7.986 7.600 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.657 8.091 5.298 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.110 7.063 5.326 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.509 6.335 5.052 1.00 0.28 H new ATOM 1722 N GLY B 21 153.771 6.150 7.752 1.00 0.22 N ATOM 1723 CA GLY B 21 155.219 6.115 7.403 1.00 0.21 C ATOM 1724 C GLY B 21 155.741 4.679 7.453 1.00 0.19 C ATOM 1725 O GLY B 21 156.884 4.419 7.134 1.00 0.19 O ATOM 0 H GLY B 21 153.532 6.765 8.530 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.370 6.530 6.406 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.783 6.739 8.097 1.00 0.21 H new ATOM 1729 N SER B 22 154.920 3.739 7.833 1.00 0.20 N ATOM 1730 CA SER B 22 155.388 2.326 7.878 1.00 0.20 C ATOM 1731 C SER B 22 155.318 1.748 6.471 1.00 0.19 C ATOM 1732 O SER B 22 156.015 0.813 6.129 1.00 0.20 O ATOM 1733 CB SER B 22 154.477 1.518 8.796 1.00 0.23 C ATOM 1734 OG SER B 22 153.291 1.171 8.092 1.00 1.24 O ATOM 0 H SER B 22 153.950 3.887 8.113 1.00 0.20 H new ATOM 0 HA SER B 22 156.410 2.284 8.254 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.989 0.618 9.135 1.00 0.23 H new ATOM 0 HB3 SER B 22 154.230 2.098 9.685 1.00 0.23 H new ATOM 0 HG SER B 22 152.674 1.933 8.095 1.00 1.24 H new ATOM 1740 N LEU B 23 154.474 2.306 5.655 1.00 0.18 N ATOM 1741 CA LEU B 23 154.339 1.803 4.261 1.00 0.18 C ATOM 1742 C LEU B 23 155.663 1.986 3.520 1.00 0.18 C ATOM 1743 O LEU B 23 156.343 2.983 3.660 1.00 0.18 O ATOM 1744 CB LEU B 23 153.234 2.578 3.537 1.00 0.19 C ATOM 1745 CG LEU B 23 151.864 2.221 4.134 1.00 0.21 C ATOM 1746 CD1 LEU B 23 150.790 3.116 3.505 1.00 0.23 C ATOM 1747 CD2 LEU B 23 151.528 0.740 3.864 1.00 0.24 C ATOM 0 H LEU B 23 153.869 3.092 5.893 1.00 0.18 H new ATOM 0 HA LEU B 23 154.080 0.744 4.284 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.411 3.650 3.627 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.249 2.341 2.473 1.00 0.19 H new ATOM 0 HG LEU B 23 151.894 2.380 5.212 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.816 2.866 3.926 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.019 4.161 3.715 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.771 2.958 2.427 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.554 0.504 4.293 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.503 0.563 2.789 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.289 0.106 4.319 1.00 0.24 H new ATOM 1759 N ALA B 24 156.024 1.016 2.737 1.00 0.18 N ATOM 1760 CA ALA B 24 157.300 1.105 1.979 1.00 0.19 C ATOM 1761 C ALA B 24 157.226 2.239 0.951 1.00 0.19 C ATOM 1762 O ALA B 24 156.255 2.393 0.237 1.00 0.20 O ATOM 1763 CB ALA B 24 157.562 -0.220 1.263 1.00 0.21 C ATOM 0 H ALA B 24 155.489 0.160 2.587 1.00 0.18 H new ATOM 0 HA ALA B 24 158.113 1.311 2.675 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.497 -0.155 0.707 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.631 -1.023 1.997 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.744 -0.429 0.573 1.00 0.21 H new ATOM 1769 N GLY B 25 158.257 3.034 0.891 1.00 0.20 N ATOM 1770 CA GLY B 25 158.286 4.180 -0.070 1.00 0.21 C ATOM 1771 C GLY B 25 157.934 5.463 0.680 1.00 0.20 C ATOM 1772 O GLY B 25 158.257 6.553 0.250 1.00 0.22 O ATOM 0 H GLY B 25 159.091 2.941 1.471 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.273 4.267 -0.523 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.577 4.010 -0.880 1.00 0.21 H new ATOM 1776 N ILE B 26 157.286 5.342 1.810 1.00 0.20 N ATOM 1777 CA ILE B 26 156.927 6.551 2.611 1.00 0.21 C ATOM 1778 C ILE B 26 157.952 6.693 3.731 1.00 0.23 C ATOM 1779 O ILE B 26 158.057 5.840 4.589 1.00 0.25 O ATOM 1780 CB ILE B 26 155.536 6.378 3.226 1.00 0.22 C ATOM 1781 CG1 ILE B 26 154.521 6.005 2.137 1.00 0.22 C ATOM 1782 CG2 ILE B 26 155.109 7.686 3.895 1.00 0.24 C ATOM 1783 CD1 ILE B 26 154.604 6.993 0.969 1.00 0.24 C ATOM 0 H ILE B 26 156.989 4.454 2.214 1.00 0.20 H new ATOM 0 HA ILE B 26 156.923 7.434 1.972 1.00 0.21 H new ATOM 0 HB ILE B 26 155.571 5.580 3.968 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.716 4.993 1.781 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.514 6.008 2.553 1.00 0.22 H new ATOM 0 HG21 ILE B 26 154.118 7.564 4.333 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.823 7.944 4.677 1.00 0.24 H new ATOM 0 HG23 ILE B 26 155.081 8.483 3.152 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.878 6.715 0.205 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.386 7.999 1.327 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.607 6.969 0.543 1.00 0.24 H new ATOM 1795 N GLY B 27 158.713 7.754 3.743 1.00 0.24 N ATOM 1796 CA GLY B 27 159.724 7.927 4.824 1.00 0.27 C ATOM 1797 C GLY B 27 159.115 8.727 5.975 1.00 0.28 C ATOM 1798 O GLY B 27 157.979 9.153 5.921 1.00 0.27 O ATOM 0 H GLY B 27 158.678 8.505 3.054 1.00 0.24 H new ATOM 0 HA2 GLY B 27 160.058 6.953 5.182 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.602 8.442 4.435 1.00 0.27 H new ATOM 1802 N GLU B 28 159.863 8.919 7.022 1.00 0.30 N ATOM 1803 CA GLU B 28 159.329 9.674 8.187 1.00 0.32 C ATOM 1804 C GLU B 28 158.857 11.056 7.729 1.00 0.32 C ATOM 1805 O GLU B 28 157.840 11.551 8.171 1.00 0.35 O ATOM 1806 CB GLU B 28 160.433 9.834 9.233 1.00 0.36 C ATOM 1807 CG GLU B 28 160.770 8.466 9.829 1.00 0.39 C ATOM 1808 CD GLU B 28 161.882 8.618 10.867 1.00 1.27 C ATOM 1809 OE1 GLU B 28 162.123 9.737 11.288 1.00 2.00 O ATOM 1810 OE2 GLU B 28 162.481 7.613 11.217 1.00 1.64 O ATOM 0 H GLU B 28 160.822 8.586 7.122 1.00 0.30 H new ATOM 0 HA GLU B 28 158.489 9.131 8.620 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.320 10.273 8.777 1.00 0.36 H new ATOM 0 HB3 GLU B 28 160.108 10.516 10.019 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.884 8.032 10.292 1.00 0.39 H new ATOM 0 HG3 GLU B 28 161.086 7.783 9.041 1.00 0.39 H new ATOM 1817 N VAL B 29 159.587 11.684 6.849 1.00 0.31 N ATOM 1818 CA VAL B 29 159.172 13.034 6.375 1.00 0.33 C ATOM 1819 C VAL B 29 157.906 12.908 5.523 1.00 0.33 C ATOM 1820 O VAL B 29 156.989 13.696 5.639 1.00 0.35 O ATOM 1821 CB VAL B 29 160.305 13.649 5.551 1.00 0.34 C ATOM 1822 CG1 VAL B 29 159.837 14.960 4.915 1.00 0.38 C ATOM 1823 CG2 VAL B 29 161.502 13.925 6.465 1.00 0.35 C ATOM 0 H VAL B 29 160.449 11.323 6.439 1.00 0.31 H new ATOM 0 HA VAL B 29 158.961 13.678 7.228 1.00 0.33 H new ATOM 0 HB VAL B 29 160.595 12.954 4.763 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.650 15.391 4.330 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.985 14.765 4.264 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.542 15.659 5.698 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.312 14.363 5.882 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.206 14.618 7.253 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.841 12.991 6.912 1.00 0.35 H new ATOM 1833 N LEU B 30 157.850 11.925 4.663 1.00 0.32 N ATOM 1834 CA LEU B 30 156.645 11.750 3.800 1.00 0.33 C ATOM 1835 C LEU B 30 155.455 11.330 4.663 1.00 0.32 C ATOM 1836 O LEU B 30 154.342 11.775 4.466 1.00 0.33 O ATOM 1837 CB LEU B 30 156.911 10.661 2.755 1.00 0.33 C ATOM 1838 CG LEU B 30 158.047 11.089 1.815 1.00 0.35 C ATOM 1839 CD1 LEU B 30 158.392 9.924 0.877 1.00 0.36 C ATOM 1840 CD2 LEU B 30 157.619 12.316 0.984 1.00 0.40 C ATOM 0 H LEU B 30 158.588 11.235 4.521 1.00 0.32 H new ATOM 0 HA LEU B 30 156.425 12.693 3.299 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.174 9.727 3.252 1.00 0.33 H new ATOM 0 HB3 LEU B 30 156.005 10.472 2.179 1.00 0.33 H new ATOM 0 HG LEU B 30 158.922 11.356 2.408 1.00 0.35 H new ATOM 0 HD11 LEU B 30 159.198 10.223 0.207 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.710 9.064 1.467 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.513 9.657 0.290 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.434 12.609 0.322 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.741 12.064 0.390 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.380 13.143 1.653 1.00 0.40 H new ATOM 1852 N GLY B 31 155.686 10.476 5.619 1.00 0.33 N ATOM 1853 CA GLY B 31 154.572 10.023 6.497 1.00 0.34 C ATOM 1854 C GLY B 31 153.978 11.224 7.232 1.00 0.35 C ATOM 1855 O GLY B 31 152.780 11.328 7.410 1.00 0.36 O ATOM 0 H GLY B 31 156.598 10.072 5.831 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.803 9.532 5.901 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.937 9.289 7.215 1.00 0.34 H new ATOM 1859 N LYS B 32 154.810 12.127 7.673 1.00 0.35 N ATOM 1860 CA LYS B 32 154.304 13.316 8.412 1.00 0.37 C ATOM 1861 C LYS B 32 153.390 14.149 7.505 1.00 0.37 C ATOM 1862 O LYS B 32 152.381 14.666 7.943 1.00 0.38 O ATOM 1863 CB LYS B 32 155.489 14.169 8.872 1.00 0.40 C ATOM 1864 CG LYS B 32 154.994 15.249 9.836 1.00 1.18 C ATOM 1865 CD LYS B 32 156.176 16.103 10.299 1.00 1.36 C ATOM 1866 CE LYS B 32 155.680 17.170 11.277 1.00 2.07 C ATOM 1867 NZ LYS B 32 156.791 18.112 11.591 1.00 2.75 N ATOM 0 H LYS B 32 155.822 12.092 7.552 1.00 0.35 H new ATOM 0 HA LYS B 32 153.733 12.984 9.279 1.00 0.37 H new ATOM 0 HB2 LYS B 32 156.234 13.542 9.362 1.00 0.40 H new ATOM 0 HB3 LYS B 32 155.976 14.629 8.012 1.00 0.40 H new ATOM 0 HG2 LYS B 32 154.250 15.876 9.345 1.00 1.18 H new ATOM 0 HG3 LYS B 32 154.506 14.788 10.695 1.00 1.18 H new ATOM 0 HD2 LYS B 32 156.927 15.475 10.779 1.00 1.36 H new ATOM 0 HD3 LYS B 32 156.656 16.575 9.442 1.00 1.36 H new ATOM 0 HE2 LYS B 32 154.840 17.713 10.844 1.00 2.07 H new ATOM 0 HE3 LYS B 32 155.318 16.700 12.192 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 156.454 18.837 12.256 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 157.579 17.588 12.021 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 157.116 18.569 10.715 1.00 2.75 H new ATOM 1881 N LYS B 33 153.732 14.302 6.252 1.00 0.35 N ATOM 1882 CA LYS B 33 152.871 15.121 5.347 1.00 0.36 C ATOM 1883 C LYS B 33 151.507 14.443 5.185 1.00 0.34 C ATOM 1884 O LYS B 33 150.474 15.058 5.363 1.00 0.36 O ATOM 1885 CB LYS B 33 153.545 15.230 3.980 1.00 0.36 C ATOM 1886 CG LYS B 33 154.790 16.108 4.095 1.00 0.39 C ATOM 1887 CD LYS B 33 155.467 16.219 2.729 1.00 0.64 C ATOM 1888 CE LYS B 33 156.713 17.099 2.849 1.00 0.66 C ATOM 1889 NZ LYS B 33 157.516 16.999 1.599 1.00 1.56 N ATOM 0 H LYS B 33 154.563 13.899 5.819 1.00 0.35 H new ATOM 0 HA LYS B 33 152.734 16.115 5.773 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.818 14.239 3.617 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.852 15.656 3.254 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.516 17.099 4.458 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.482 15.682 4.822 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.741 15.229 2.365 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.776 16.645 2.002 1.00 0.64 H new ATOM 0 HE2 LYS B 33 156.424 18.135 3.026 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.312 16.785 3.704 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 157.903 17.934 1.359 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 158.297 16.327 1.741 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 156.910 16.666 0.823 1.00 1.56 H new ATOM 1903 N LEU B 34 151.494 13.178 4.873 1.00 0.32 N ATOM 1904 CA LEU B 34 150.198 12.457 4.727 1.00 0.31 C ATOM 1905 C LEU B 34 149.438 12.526 6.059 1.00 0.31 C ATOM 1906 O LEU B 34 148.234 12.685 6.098 1.00 0.32 O ATOM 1907 CB LEU B 34 150.465 10.997 4.332 1.00 0.28 C ATOM 1908 CG LEU B 34 151.000 10.919 2.890 1.00 0.29 C ATOM 1909 CD1 LEU B 34 151.709 9.576 2.684 1.00 0.29 C ATOM 1910 CD2 LEU B 34 149.840 11.018 1.879 1.00 0.33 C ATOM 0 H LEU B 34 152.326 12.610 4.712 1.00 0.32 H new ATOM 0 HA LEU B 34 149.594 12.921 3.947 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.187 10.554 5.019 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.546 10.417 4.417 1.00 0.28 H new ATOM 0 HG LEU B 34 151.692 11.746 2.731 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.089 9.518 1.664 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.539 9.491 3.386 1.00 0.29 H new ATOM 0 HD13 LEU B 34 151.004 8.762 2.856 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.235 10.961 0.865 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.143 10.196 2.043 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.320 11.967 2.013 1.00 0.33 H new ATOM 1922 N GLU B 35 150.146 12.398 7.147 1.00 0.31 N ATOM 1923 CA GLU B 35 149.484 12.443 8.488 1.00 0.34 C ATOM 1924 C GLU B 35 148.774 13.785 8.691 1.00 0.37 C ATOM 1925 O GLU B 35 147.652 13.836 9.155 1.00 0.39 O ATOM 1926 CB GLU B 35 150.541 12.254 9.580 1.00 0.35 C ATOM 1927 CG GLU B 35 149.878 12.299 10.959 1.00 0.92 C ATOM 1928 CD GLU B 35 150.907 11.937 12.032 1.00 1.02 C ATOM 1929 OE1 GLU B 35 152.043 11.672 11.672 1.00 1.35 O ATOM 1930 OE2 GLU B 35 150.542 11.930 13.195 1.00 1.68 O ATOM 0 H GLU B 35 151.157 12.264 7.169 1.00 0.31 H new ATOM 0 HA GLU B 35 148.744 11.644 8.544 1.00 0.34 H new ATOM 0 HB2 GLU B 35 151.052 11.301 9.443 1.00 0.35 H new ATOM 0 HB3 GLU B 35 151.298 13.035 9.505 1.00 0.35 H new ATOM 0 HG2 GLU B 35 149.474 13.294 11.148 1.00 0.92 H new ATOM 0 HG3 GLU B 35 149.040 11.603 10.994 1.00 0.92 H new ATOM 1937 N GLU B 36 149.408 14.869 8.347 1.00 0.39 N ATOM 1938 CA GLU B 36 148.756 16.198 8.521 1.00 0.44 C ATOM 1939 C GLU B 36 147.568 16.302 7.567 1.00 0.45 C ATOM 1940 O GLU B 36 146.697 17.133 7.727 1.00 0.49 O ATOM 1941 CB GLU B 36 149.757 17.315 8.217 1.00 0.46 C ATOM 1942 CG GLU B 36 150.816 17.367 9.320 1.00 1.11 C ATOM 1943 CD GLU B 36 151.894 18.385 8.944 1.00 1.38 C ATOM 1944 OE1 GLU B 36 151.780 18.974 7.882 1.00 1.85 O ATOM 1945 OE2 GLU B 36 152.813 18.561 9.727 1.00 1.99 O ATOM 0 H GLU B 36 150.349 14.894 7.953 1.00 0.39 H new ATOM 0 HA GLU B 36 148.413 16.301 9.550 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.231 17.140 7.251 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.240 18.272 8.149 1.00 0.46 H new ATOM 0 HG2 GLU B 36 150.355 17.643 10.269 1.00 1.11 H new ATOM 0 HG3 GLU B 36 151.263 16.382 9.457 1.00 1.11 H new ATOM 1952 N ARG B 37 147.544 15.478 6.560 1.00 0.42 N ATOM 1953 CA ARG B 37 146.427 15.546 5.573 1.00 0.45 C ATOM 1954 C ARG B 37 145.272 14.631 6.004 1.00 0.42 C ATOM 1955 O ARG B 37 144.260 14.558 5.335 1.00 0.43 O ATOM 1956 CB ARG B 37 146.938 15.128 4.195 1.00 0.45 C ATOM 1957 CG ARG B 37 147.900 16.201 3.671 1.00 0.52 C ATOM 1958 CD ARG B 37 148.408 15.807 2.280 1.00 0.86 C ATOM 1959 NE ARG B 37 149.722 16.478 2.009 1.00 1.42 N ATOM 1960 CZ ARG B 37 149.871 17.772 2.121 1.00 1.87 C ATOM 1961 NH1 ARG B 37 148.840 18.547 2.315 1.00 2.15 N ATOM 1962 NH2 ARG B 37 151.058 18.298 1.984 1.00 2.68 N ATOM 0 H ARG B 37 148.246 14.761 6.375 1.00 0.42 H new ATOM 0 HA ARG B 37 146.057 16.570 5.528 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.446 14.166 4.258 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.103 15.003 3.506 1.00 0.45 H new ATOM 0 HG2 ARG B 37 147.393 17.165 3.624 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.740 16.315 4.356 1.00 0.52 H new ATOM 0 HD2 ARG B 37 148.522 14.725 2.218 1.00 0.86 H new ATOM 0 HD3 ARG B 37 147.679 16.095 1.522 1.00 0.86 H new ATOM 0 HE ARG B 37 150.521 15.909 1.730 1.00 1.42 H new ATOM 0 HH11 ARG B 37 147.905 18.145 2.381 1.00 2.15 H new ATOM 0 HH12 ARG B 37 148.969 19.555 2.401 1.00 2.15 H new ATOM 0 HH21 ARG B 37 151.862 17.700 1.791 1.00 2.68 H new ATOM 0 HH22 ARG B 37 151.182 19.307 2.070 1.00 2.68 H new ATOM 1976 N GLY B 38 145.387 13.968 7.136 1.00 0.41 N ATOM 1977 CA GLY B 38 144.257 13.102 7.626 1.00 0.39 C ATOM 1978 C GLY B 38 144.578 11.611 7.495 1.00 0.37 C ATOM 1979 O GLY B 38 143.744 10.777 7.787 1.00 0.49 O ATOM 0 H GLY B 38 146.209 13.988 7.739 1.00 0.41 H new ATOM 0 HA2 GLY B 38 144.046 13.337 8.669 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.354 13.329 7.059 1.00 0.39 H new ATOM 1983 N PHE B 39 145.765 11.254 7.079 1.00 0.31 N ATOM 1984 CA PHE B 39 146.118 9.804 6.953 1.00 0.28 C ATOM 1985 C PHE B 39 147.040 9.420 8.111 1.00 0.28 C ATOM 1986 O PHE B 39 148.232 9.254 7.941 1.00 0.28 O ATOM 1987 CB PHE B 39 146.866 9.590 5.644 1.00 0.27 C ATOM 1988 CG PHE B 39 145.997 9.989 4.476 1.00 0.28 C ATOM 1989 CD1 PHE B 39 145.932 11.330 4.081 1.00 0.31 C ATOM 1990 CD2 PHE B 39 145.265 9.020 3.784 1.00 0.27 C ATOM 1991 CE1 PHE B 39 145.132 11.701 2.993 1.00 0.33 C ATOM 1992 CE2 PHE B 39 144.464 9.390 2.698 1.00 0.30 C ATOM 1993 CZ PHE B 39 144.396 10.730 2.302 1.00 0.32 C ATOM 0 H PHE B 39 146.508 11.903 6.820 1.00 0.31 H new ATOM 0 HA PHE B 39 145.213 9.196 6.972 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.784 10.178 5.641 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.157 8.544 5.550 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.499 12.079 4.615 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.318 7.985 4.088 1.00 0.27 H new ATOM 0 HE1 PHE B 39 145.083 12.736 2.687 1.00 0.33 H new ATOM 0 HE2 PHE B 39 143.898 8.640 2.165 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.777 11.015 1.464 1.00 0.32 H new ATOM 2003 N ASP B 40 146.503 9.301 9.294 1.00 0.30 N ATOM 2004 CA ASP B 40 147.361 8.959 10.465 1.00 0.31 C ATOM 2005 C ASP B 40 147.644 7.456 10.498 1.00 0.29 C ATOM 2006 O ASP B 40 148.460 6.995 11.270 1.00 0.30 O ATOM 2007 CB ASP B 40 146.646 9.374 11.753 1.00 0.35 C ATOM 2008 CG ASP B 40 145.335 8.595 11.885 1.00 0.37 C ATOM 2009 OD1 ASP B 40 144.916 8.010 10.901 1.00 0.36 O ATOM 2010 OD2 ASP B 40 144.773 8.601 12.967 1.00 0.41 O ATOM 0 H ASP B 40 145.512 9.425 9.501 1.00 0.30 H new ATOM 0 HA ASP B 40 148.308 9.491 10.379 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.285 9.180 12.615 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.445 10.445 11.741 1.00 0.35 H new ATOM 2015 N LYS B 41 146.972 6.684 9.678 1.00 0.28 N ATOM 2016 CA LYS B 41 147.197 5.200 9.670 1.00 0.28 C ATOM 2017 C LYS B 41 147.410 4.722 8.227 1.00 0.23 C ATOM 2018 O LYS B 41 146.943 5.329 7.284 1.00 0.23 O ATOM 2019 CB LYS B 41 145.972 4.506 10.280 1.00 0.33 C ATOM 2020 CG LYS B 41 145.803 4.923 11.755 1.00 0.47 C ATOM 2021 CD LYS B 41 146.741 4.105 12.654 1.00 0.74 C ATOM 2022 CE LYS B 41 146.473 4.457 14.119 1.00 0.71 C ATOM 2023 NZ LYS B 41 145.033 4.233 14.427 1.00 1.56 N ATOM 0 H LYS B 41 146.275 7.017 9.012 1.00 0.28 H new ATOM 0 HA LYS B 41 148.082 4.954 10.257 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.077 4.769 9.715 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.086 3.424 10.211 1.00 0.33 H new ATOM 0 HG2 LYS B 41 146.018 5.986 11.866 1.00 0.47 H new ATOM 0 HG3 LYS B 41 144.769 4.773 12.066 1.00 0.47 H new ATOM 0 HD2 LYS B 41 146.583 3.039 12.489 1.00 0.74 H new ATOM 0 HD3 LYS B 41 147.780 4.316 12.402 1.00 0.74 H new ATOM 0 HE2 LYS B 41 147.095 3.844 14.771 1.00 0.71 H new ATOM 0 HE3 LYS B 41 146.739 5.497 14.309 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 144.920 4.054 15.445 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 144.486 5.076 14.161 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 144.687 3.412 13.890 1.00 1.56 H new ATOM 2037 N ALA B 42 148.134 3.646 8.057 1.00 0.21 N ATOM 2038 CA ALA B 42 148.414 3.126 6.682 1.00 0.20 C ATOM 2039 C ALA B 42 147.131 2.643 5.991 1.00 0.18 C ATOM 2040 O ALA B 42 146.954 2.835 4.805 1.00 0.18 O ATOM 2041 CB ALA B 42 149.399 1.959 6.777 1.00 0.21 C ATOM 0 H ALA B 42 148.546 3.101 8.815 1.00 0.21 H new ATOM 0 HA ALA B 42 148.836 3.939 6.091 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.607 1.576 5.778 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.327 2.302 7.234 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.966 1.166 7.387 1.00 0.21 H new ATOM 2047 N TYR B 43 146.251 1.993 6.699 1.00 0.18 N ATOM 2048 CA TYR B 43 145.012 1.480 6.038 1.00 0.18 C ATOM 2049 C TYR B 43 144.261 2.622 5.353 1.00 0.17 C ATOM 2050 O TYR B 43 143.434 2.395 4.493 1.00 0.17 O ATOM 2051 CB TYR B 43 144.096 0.779 7.051 1.00 0.20 C ATOM 2052 CG TYR B 43 143.561 1.763 8.060 1.00 0.21 C ATOM 2053 CD1 TYR B 43 142.505 2.616 7.714 1.00 0.21 C ATOM 2054 CD2 TYR B 43 144.106 1.811 9.346 1.00 0.24 C ATOM 2055 CE1 TYR B 43 141.997 3.515 8.654 1.00 0.25 C ATOM 2056 CE2 TYR B 43 143.598 2.710 10.286 1.00 0.28 C ATOM 2057 CZ TYR B 43 142.543 3.565 9.943 1.00 0.27 C ATOM 2058 OH TYR B 43 142.043 4.454 10.871 1.00 0.32 O ATOM 0 H TYR B 43 146.331 1.795 7.696 1.00 0.18 H new ATOM 0 HA TYR B 43 145.310 0.751 5.285 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.268 0.300 6.529 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.648 -0.009 7.563 1.00 0.20 H new ATOM 0 HD1 TYR B 43 142.084 2.578 6.720 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.920 1.153 9.613 1.00 0.24 H new ATOM 0 HE1 TYR B 43 141.183 4.172 8.387 1.00 0.25 H new ATOM 0 HE2 TYR B 43 144.020 2.746 11.280 1.00 0.28 H new ATOM 0 HH TYR B 43 142.534 4.358 11.714 1.00 0.32 H new ATOM 2068 N VAL B 44 144.547 3.848 5.699 1.00 0.18 N ATOM 2069 CA VAL B 44 143.846 4.983 5.027 1.00 0.18 C ATOM 2070 C VAL B 44 144.516 5.217 3.668 1.00 0.17 C ATOM 2071 O VAL B 44 143.888 5.584 2.694 1.00 0.17 O ATOM 2072 CB VAL B 44 143.950 6.254 5.881 1.00 0.20 C ATOM 2073 CG1 VAL B 44 143.071 7.363 5.274 1.00 0.21 C ATOM 2074 CG2 VAL B 44 143.480 5.960 7.312 1.00 0.24 C ATOM 0 H VAL B 44 145.228 4.113 6.410 1.00 0.18 H new ATOM 0 HA VAL B 44 142.791 4.744 4.897 1.00 0.18 H new ATOM 0 HB VAL B 44 144.989 6.583 5.901 1.00 0.20 H new ATOM 0 HG11 VAL B 44 143.148 8.263 5.884 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.408 7.581 4.261 1.00 0.21 H new ATOM 0 HG13 VAL B 44 142.033 7.031 5.247 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.556 6.866 7.913 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.443 5.623 7.293 1.00 0.24 H new ATOM 0 HG23 VAL B 44 144.106 5.182 7.748 1.00 0.24 H new ATOM 2084 N VAL B 45 145.803 4.985 3.614 1.00 0.17 N ATOM 2085 CA VAL B 45 146.556 5.169 2.338 1.00 0.17 C ATOM 2086 C VAL B 45 146.258 3.975 1.429 1.00 0.15 C ATOM 2087 O VAL B 45 146.067 4.125 0.240 1.00 0.15 O ATOM 2088 CB VAL B 45 148.062 5.256 2.623 1.00 0.18 C ATOM 2089 CG1 VAL B 45 148.844 5.178 1.307 1.00 0.22 C ATOM 2090 CG2 VAL B 45 148.380 6.586 3.318 1.00 0.20 C ATOM 0 H VAL B 45 146.367 4.674 4.405 1.00 0.17 H new ATOM 0 HA VAL B 45 146.248 6.094 1.851 1.00 0.17 H new ATOM 0 HB VAL B 45 148.350 4.426 3.269 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.912 5.240 1.514 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.625 4.233 0.809 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.551 6.005 0.660 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.450 6.645 3.519 1.00 0.20 H new ATOM 0 HG22 VAL B 45 148.086 7.413 2.672 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.830 6.646 4.257 1.00 0.20 H new ATOM 2100 N LEU B 46 146.179 2.795 1.981 1.00 0.17 N ATOM 2101 CA LEU B 46 145.850 1.615 1.138 1.00 0.17 C ATOM 2102 C LEU B 46 144.480 1.864 0.513 1.00 0.17 C ATOM 2103 O LEU B 46 144.226 1.521 -0.625 1.00 0.17 O ATOM 2104 CB LEU B 46 145.808 0.344 2.004 1.00 0.22 C ATOM 2105 CG LEU B 46 145.276 -0.845 1.184 1.00 0.25 C ATOM 2106 CD1 LEU B 46 146.147 -1.063 -0.059 1.00 0.40 C ATOM 2107 CD2 LEU B 46 145.303 -2.108 2.049 1.00 0.35 C ATOM 0 H LEU B 46 146.327 2.599 2.971 1.00 0.17 H new ATOM 0 HA LEU B 46 146.605 1.475 0.365 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.806 0.118 2.379 1.00 0.22 H new ATOM 0 HB3 LEU B 46 145.171 0.509 2.873 1.00 0.22 H new ATOM 0 HG LEU B 46 144.255 -0.632 0.869 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.760 -1.907 -0.631 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.128 -0.166 -0.678 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.172 -1.271 0.247 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.927 -2.953 1.472 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.326 -2.311 2.364 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.675 -1.961 2.928 1.00 0.35 H new ATOM 2119 N GLY B 47 143.597 2.464 1.263 1.00 0.17 N ATOM 2120 CA GLY B 47 142.236 2.749 0.740 1.00 0.18 C ATOM 2121 C GLY B 47 142.338 3.633 -0.500 1.00 0.17 C ATOM 2122 O GLY B 47 141.639 3.432 -1.474 1.00 0.18 O ATOM 0 H GLY B 47 143.763 2.770 2.222 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.728 1.817 0.493 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.638 3.245 1.505 1.00 0.18 H new ATOM 2126 N GLN B 48 143.208 4.607 -0.485 1.00 0.17 N ATOM 2127 CA GLN B 48 143.346 5.488 -1.678 1.00 0.18 C ATOM 2128 C GLN B 48 143.748 4.622 -2.874 1.00 0.17 C ATOM 2129 O GLN B 48 143.217 4.757 -3.957 1.00 0.18 O ATOM 2130 CB GLN B 48 144.426 6.544 -1.416 1.00 0.18 C ATOM 2131 CG GLN B 48 144.468 7.540 -2.579 1.00 0.22 C ATOM 2132 CD GLN B 48 143.172 8.352 -2.608 1.00 0.28 C ATOM 2133 OE1 GLN B 48 142.839 9.023 -1.650 1.00 0.97 O ATOM 2134 NE2 GLN B 48 142.420 8.323 -3.674 1.00 1.09 N ATOM 0 H GLN B 48 143.825 4.829 0.296 1.00 0.17 H new ATOM 0 HA GLN B 48 142.402 5.994 -1.883 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.217 7.068 -0.483 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.398 6.064 -1.301 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.324 8.206 -2.469 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.597 7.008 -3.522 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.697 7.761 -4.479 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.555 8.862 -3.703 1.00 1.09 H new ATOM 2143 N PHE B 49 144.663 3.712 -2.678 1.00 0.17 N ATOM 2144 CA PHE B 49 145.077 2.817 -3.795 1.00 0.17 C ATOM 2145 C PHE B 49 143.856 2.031 -4.275 1.00 0.18 C ATOM 2146 O PHE B 49 143.657 1.827 -5.456 1.00 0.19 O ATOM 2147 CB PHE B 49 146.158 1.856 -3.300 1.00 0.18 C ATOM 2148 CG PHE B 49 146.569 0.932 -4.419 1.00 0.20 C ATOM 2149 CD1 PHE B 49 147.551 1.327 -5.334 1.00 0.24 C ATOM 2150 CD2 PHE B 49 145.973 -0.329 -4.534 1.00 0.27 C ATOM 2151 CE1 PHE B 49 147.934 0.461 -6.365 1.00 0.27 C ATOM 2152 CE2 PHE B 49 146.355 -1.194 -5.565 1.00 0.31 C ATOM 2153 CZ PHE B 49 147.337 -0.800 -6.481 1.00 0.27 C ATOM 0 H PHE B 49 145.142 3.550 -1.792 1.00 0.17 H new ATOM 0 HA PHE B 49 145.478 3.406 -4.620 1.00 0.17 H new ATOM 0 HB2 PHE B 49 147.022 2.417 -2.944 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.784 1.277 -2.456 1.00 0.18 H new ATOM 0 HD1 PHE B 49 148.013 2.299 -5.245 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.217 -0.635 -3.826 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.691 0.766 -7.072 1.00 0.27 H new ATOM 0 HE2 PHE B 49 145.892 -2.166 -5.654 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.634 -1.468 -7.276 1.00 0.27 H new ATOM 2163 N LEU B 50 143.039 1.597 -3.364 1.00 0.18 N ATOM 2164 CA LEU B 50 141.828 0.830 -3.769 1.00 0.20 C ATOM 2165 C LEU B 50 140.854 1.786 -4.467 1.00 0.21 C ATOM 2166 O LEU B 50 140.222 1.440 -5.445 1.00 0.23 O ATOM 2167 CB LEU B 50 141.172 0.217 -2.526 1.00 0.22 C ATOM 2168 CG LEU B 50 142.137 -0.784 -1.867 1.00 0.23 C ATOM 2169 CD1 LEU B 50 141.530 -1.281 -0.549 1.00 0.27 C ATOM 2170 CD2 LEU B 50 142.387 -1.981 -2.806 1.00 0.27 C ATOM 0 H LEU B 50 143.153 1.737 -2.360 1.00 0.18 H new ATOM 0 HA LEU B 50 142.101 0.025 -4.452 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.909 1.003 -1.818 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.245 -0.286 -2.803 1.00 0.22 H new ATOM 0 HG LEU B 50 143.087 -0.287 -1.670 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.211 -1.991 -0.079 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.370 -0.435 0.119 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.577 -1.771 -0.749 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.071 -2.682 -2.328 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.442 -2.482 -3.016 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.824 -1.626 -3.739 1.00 0.27 H new ATOM 2182 N VAL B 51 140.728 2.983 -3.968 1.00 0.21 N ATOM 2183 CA VAL B 51 139.791 3.966 -4.594 1.00 0.23 C ATOM 2184 C VAL B 51 140.304 4.378 -5.980 1.00 0.23 C ATOM 2185 O VAL B 51 139.544 4.778 -6.840 1.00 0.25 O ATOM 2186 CB VAL B 51 139.675 5.202 -3.694 1.00 0.25 C ATOM 2187 CG1 VAL B 51 138.928 6.319 -4.434 1.00 0.28 C ATOM 2188 CG2 VAL B 51 138.903 4.829 -2.426 1.00 0.27 C ATOM 0 H VAL B 51 141.233 3.327 -3.152 1.00 0.21 H new ATOM 0 HA VAL B 51 138.810 3.504 -4.707 1.00 0.23 H new ATOM 0 HB VAL B 51 140.673 5.553 -3.431 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.849 7.194 -3.788 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.474 6.584 -5.339 1.00 0.28 H new ATOM 0 HG13 VAL B 51 137.929 5.974 -4.701 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.817 5.704 -1.782 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.907 4.478 -2.696 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.434 4.039 -1.896 1.00 0.27 H new ATOM 2198 N LEU B 52 141.589 4.298 -6.197 1.00 0.22 N ATOM 2199 CA LEU B 52 142.148 4.706 -7.525 1.00 0.23 C ATOM 2200 C LEU B 52 142.178 3.505 -8.476 1.00 0.23 C ATOM 2201 O LEU B 52 142.789 3.557 -9.525 1.00 0.24 O ATOM 2202 CB LEU B 52 143.564 5.269 -7.353 1.00 0.24 C ATOM 2203 CG LEU B 52 143.525 6.593 -6.564 1.00 0.25 C ATOM 2204 CD1 LEU B 52 144.956 7.096 -6.374 1.00 0.30 C ATOM 2205 CD2 LEU B 52 142.712 7.658 -7.329 1.00 0.27 C ATOM 0 H LEU B 52 142.276 3.970 -5.518 1.00 0.22 H new ATOM 0 HA LEU B 52 141.508 5.480 -7.950 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.189 4.545 -6.830 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.018 5.434 -8.330 1.00 0.24 H new ATOM 0 HG LEU B 52 143.050 6.418 -5.599 1.00 0.25 H new ATOM 0 HD11 LEU B 52 144.941 8.033 -5.817 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.532 6.354 -5.821 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.416 7.261 -7.348 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.696 8.585 -6.756 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.173 7.840 -8.300 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.692 7.303 -7.473 1.00 0.27 H new ATOM 2217 N LYS B 53 141.508 2.435 -8.146 1.00 0.23 N ATOM 2218 CA LYS B 53 141.494 1.264 -9.066 1.00 0.24 C ATOM 2219 C LYS B 53 142.921 0.918 -9.503 1.00 0.24 C ATOM 2220 O LYS B 53 143.199 0.802 -10.679 1.00 0.30 O ATOM 2221 CB LYS B 53 140.655 1.605 -10.311 1.00 0.29 C ATOM 2222 CG LYS B 53 139.147 1.669 -9.962 1.00 0.39 C ATOM 2223 CD LYS B 53 138.749 3.093 -9.518 1.00 0.48 C ATOM 2224 CE LYS B 53 138.416 3.958 -10.742 1.00 0.92 C ATOM 2225 NZ LYS B 53 137.223 3.399 -11.438 1.00 1.71 N ATOM 0 H LYS B 53 140.973 2.321 -7.285 1.00 0.23 H new ATOM 0 HA LYS B 53 141.061 0.409 -8.546 1.00 0.24 H new ATOM 0 HB2 LYS B 53 140.978 2.562 -10.721 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.822 0.854 -11.084 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.555 1.374 -10.829 1.00 0.39 H new ATOM 0 HG3 LYS B 53 138.922 0.959 -9.166 1.00 0.39 H new ATOM 0 HD2 LYS B 53 137.888 3.046 -8.852 1.00 0.48 H new ATOM 0 HD3 LYS B 53 139.564 3.547 -8.954 1.00 0.48 H new ATOM 0 HE2 LYS B 53 138.221 4.985 -10.432 1.00 0.92 H new ATOM 0 HE3 LYS B 53 139.267 3.986 -11.423 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 136.795 4.133 -12.037 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 137.512 2.594 -12.030 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 136.528 3.079 -10.733 1.00 1.71 H new ATOM 2239 N LYS B 54 143.838 0.758 -8.575 1.00 0.23 N ATOM 2240 CA LYS B 54 145.254 0.429 -8.921 1.00 0.26 C ATOM 2241 C LYS B 54 145.726 1.244 -10.124 1.00 0.28 C ATOM 2242 O LYS B 54 146.702 0.904 -10.762 1.00 0.34 O ATOM 2243 CB LYS B 54 145.410 -1.078 -9.199 1.00 0.36 C ATOM 2244 CG LYS B 54 144.574 -1.517 -10.411 1.00 0.67 C ATOM 2245 CD LYS B 54 144.956 -2.951 -10.799 1.00 0.83 C ATOM 2246 CE LYS B 54 144.640 -3.914 -9.646 1.00 1.41 C ATOM 2247 NZ LYS B 54 145.763 -3.904 -8.666 1.00 2.25 N ATOM 0 H LYS B 54 143.657 0.844 -7.575 1.00 0.23 H new ATOM 0 HA LYS B 54 145.878 0.690 -8.066 1.00 0.26 H new ATOM 0 HB2 LYS B 54 146.460 -1.309 -9.377 1.00 0.36 H new ATOM 0 HB3 LYS B 54 145.104 -1.645 -8.320 1.00 0.36 H new ATOM 0 HG2 LYS B 54 143.512 -1.463 -10.173 1.00 0.67 H new ATOM 0 HG3 LYS B 54 144.747 -0.843 -11.250 1.00 0.67 H new ATOM 0 HD2 LYS B 54 144.410 -3.251 -11.693 1.00 0.83 H new ATOM 0 HD3 LYS B 54 146.017 -2.999 -11.042 1.00 0.83 H new ATOM 0 HE2 LYS B 54 143.713 -3.618 -9.155 1.00 1.41 H new ATOM 0 HE3 LYS B 54 144.489 -4.922 -10.032 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 146.062 -4.881 -8.471 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 146.563 -3.369 -9.060 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 145.448 -3.455 -7.782 1.00 2.25 H new ATOM 2261 N ASP B 55 145.085 2.339 -10.418 1.00 0.30 N ATOM 2262 CA ASP B 55 145.566 3.173 -11.553 1.00 0.39 C ATOM 2263 C ASP B 55 146.948 3.712 -11.158 1.00 0.38 C ATOM 2264 O ASP B 55 147.072 4.573 -10.310 1.00 0.37 O ATOM 2265 CB ASP B 55 144.591 4.327 -11.778 1.00 0.47 C ATOM 2266 CG ASP B 55 143.295 3.792 -12.387 1.00 1.18 C ATOM 2267 OD1 ASP B 55 143.375 2.889 -13.204 1.00 1.80 O ATOM 2268 OD2 ASP B 55 142.242 4.289 -12.021 1.00 1.54 O ATOM 0 H ASP B 55 144.261 2.689 -9.930 1.00 0.30 H new ATOM 0 HA ASP B 55 145.631 2.596 -12.475 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.381 4.828 -10.833 1.00 0.47 H new ATOM 0 HB3 ASP B 55 145.037 5.069 -12.440 1.00 0.47 H new ATOM 2273 N GLU B 56 147.990 3.169 -11.730 1.00 0.39 N ATOM 2274 CA GLU B 56 149.376 3.592 -11.359 1.00 0.38 C ATOM 2275 C GLU B 56 149.640 5.076 -11.651 1.00 0.38 C ATOM 2276 O GLU B 56 150.287 5.751 -10.879 1.00 0.38 O ATOM 2277 CB GLU B 56 150.381 2.734 -12.138 1.00 0.40 C ATOM 2278 CG GLU B 56 151.814 3.097 -11.730 1.00 0.41 C ATOM 2279 CD GLU B 56 152.799 2.216 -12.499 1.00 0.63 C ATOM 2280 OE1 GLU B 56 152.354 1.261 -13.114 1.00 0.88 O ATOM 2281 OE2 GLU B 56 153.981 2.520 -12.472 1.00 0.85 O ATOM 0 H GLU B 56 147.941 2.444 -12.445 1.00 0.39 H new ATOM 0 HA GLU B 56 149.489 3.451 -10.284 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.196 1.678 -11.944 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.250 2.889 -13.209 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.009 4.149 -11.941 1.00 0.41 H new ATOM 0 HG3 GLU B 56 151.945 2.957 -10.657 1.00 0.41 H new ATOM 2288 N ASP B 57 149.169 5.599 -12.747 1.00 0.40 N ATOM 2289 CA ASP B 57 149.441 7.038 -13.041 1.00 0.42 C ATOM 2290 C ASP B 57 148.659 7.922 -12.073 1.00 0.41 C ATOM 2291 O ASP B 57 149.159 8.918 -11.589 1.00 0.41 O ATOM 2292 CB ASP B 57 149.018 7.355 -14.478 1.00 0.45 C ATOM 2293 CG ASP B 57 149.974 6.670 -15.456 1.00 0.47 C ATOM 2294 OD1 ASP B 57 150.985 7.270 -15.784 1.00 0.74 O ATOM 2295 OD2 ASP B 57 149.673 5.563 -15.871 1.00 0.65 O ATOM 0 H ASP B 57 148.615 5.103 -13.445 1.00 0.40 H new ATOM 0 HA ASP B 57 150.507 7.233 -12.923 1.00 0.42 H new ATOM 0 HB2 ASP B 57 147.998 7.013 -14.651 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.025 8.433 -14.641 1.00 0.45 H new ATOM 2300 N LEU B 58 147.450 7.568 -11.773 1.00 0.40 N ATOM 2301 CA LEU B 58 146.674 8.403 -10.818 1.00 0.40 C ATOM 2302 C LEU B 58 147.262 8.245 -9.415 1.00 0.38 C ATOM 2303 O LEU B 58 147.384 9.197 -8.671 1.00 0.38 O ATOM 2304 CB LEU B 58 145.208 7.969 -10.809 1.00 0.41 C ATOM 2305 CG LEU B 58 144.596 8.144 -12.206 1.00 0.47 C ATOM 2306 CD1 LEU B 58 143.167 7.589 -12.198 1.00 0.45 C ATOM 2307 CD2 LEU B 58 144.567 9.636 -12.592 1.00 0.55 C ATOM 0 H LEU B 58 146.966 6.748 -12.140 1.00 0.40 H new ATOM 0 HA LEU B 58 146.732 9.447 -11.127 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.131 6.927 -10.498 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.650 8.560 -10.083 1.00 0.41 H new ATOM 0 HG LEU B 58 145.201 7.605 -12.935 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.724 7.709 -13.187 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.189 6.531 -11.937 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.570 8.132 -11.465 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.131 9.747 -13.585 1.00 0.55 H new ATOM 0 HD22 LEU B 58 143.967 10.187 -11.868 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.583 10.031 -12.596 1.00 0.55 H new ATOM 2319 N PHE B 59 147.647 7.048 -9.053 1.00 0.37 N ATOM 2320 CA PHE B 59 148.245 6.837 -7.704 1.00 0.35 C ATOM 2321 C PHE B 59 149.555 7.614 -7.602 1.00 0.36 C ATOM 2322 O PHE B 59 149.791 8.338 -6.656 1.00 0.35 O ATOM 2323 CB PHE B 59 148.515 5.346 -7.487 1.00 0.35 C ATOM 2324 CG PHE B 59 149.122 5.137 -6.119 1.00 0.34 C ATOM 2325 CD1 PHE B 59 148.293 4.908 -5.013 1.00 0.35 C ATOM 2326 CD2 PHE B 59 150.512 5.172 -5.954 1.00 0.37 C ATOM 2327 CE1 PHE B 59 148.854 4.714 -3.745 1.00 0.37 C ATOM 2328 CE2 PHE B 59 151.073 4.978 -4.686 1.00 0.38 C ATOM 2329 CZ PHE B 59 150.244 4.749 -3.581 1.00 0.37 C ATOM 0 H PHE B 59 147.573 6.212 -9.632 1.00 0.37 H new ATOM 0 HA PHE B 59 147.551 7.191 -6.941 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.587 4.781 -7.575 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.190 4.972 -8.257 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.221 4.881 -5.139 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.152 5.349 -6.806 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.214 4.537 -2.893 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.145 5.005 -4.560 1.00 0.38 H new ATOM 0 HZ PHE B 59 150.677 4.599 -2.603 1.00 0.37 H new ATOM 2339 N ARG B 60 150.418 7.455 -8.572 1.00 0.38 N ATOM 2340 CA ARG B 60 151.723 8.167 -8.531 1.00 0.39 C ATOM 2341 C ARG B 60 151.491 9.677 -8.572 1.00 0.40 C ATOM 2342 O ARG B 60 152.083 10.425 -7.820 1.00 0.39 O ATOM 2343 CB ARG B 60 152.566 7.745 -9.738 1.00 0.43 C ATOM 2344 CG ARG B 60 152.999 6.284 -9.573 1.00 0.44 C ATOM 2345 CD ARG B 60 153.820 5.850 -10.789 1.00 0.51 C ATOM 2346 NE ARG B 60 155.140 6.540 -10.770 1.00 1.31 N ATOM 2347 CZ ARG B 60 156.102 6.124 -11.548 1.00 1.54 C ATOM 2348 NH1 ARG B 60 155.890 5.135 -12.372 1.00 1.15 N ATOM 2349 NH2 ARG B 60 157.272 6.699 -11.506 1.00 2.64 N ATOM 0 H ARG B 60 150.272 6.862 -9.389 1.00 0.38 H new ATOM 0 HA ARG B 60 152.247 7.911 -7.610 1.00 0.39 H new ATOM 0 HB2 ARG B 60 151.991 7.863 -10.656 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.442 8.387 -9.826 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.589 6.170 -8.664 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.123 5.645 -9.466 1.00 0.44 H new ATOM 0 HD2 ARG B 60 153.963 4.769 -10.778 1.00 0.51 H new ATOM 0 HD3 ARG B 60 153.285 6.091 -11.707 1.00 0.51 H new ATOM 0 HE ARG B 60 155.292 7.336 -10.150 1.00 1.31 H new ATOM 0 HH11 ARG B 60 154.974 4.688 -12.408 1.00 1.15 H new ATOM 0 HH12 ARG B 60 156.641 4.809 -12.981 1.00 1.15 H new ATOM 0 HH21 ARG B 60 157.436 7.475 -10.865 1.00 2.64 H new ATOM 0 HH22 ARG B 60 158.023 6.373 -12.115 1.00 2.64 H new ATOM 2363 N GLU B 61 150.623 10.135 -9.435 1.00 0.42 N ATOM 2364 CA GLU B 61 150.342 11.594 -9.511 1.00 0.44 C ATOM 2365 C GLU B 61 149.697 12.040 -8.196 1.00 0.42 C ATOM 2366 O GLU B 61 149.994 13.096 -7.674 1.00 0.43 O ATOM 2367 CB GLU B 61 149.398 11.864 -10.691 1.00 0.48 C ATOM 2368 CG GLU B 61 149.238 13.378 -10.924 1.00 1.30 C ATOM 2369 CD GLU B 61 148.171 13.956 -9.983 1.00 1.77 C ATOM 2370 OE1 GLU B 61 147.568 13.188 -9.253 1.00 2.38 O ATOM 2371 OE2 GLU B 61 147.976 15.160 -10.013 1.00 2.33 O ATOM 0 H GLU B 61 150.097 9.558 -10.091 1.00 0.42 H new ATOM 0 HA GLU B 61 151.265 12.153 -9.665 1.00 0.44 H new ATOM 0 HB2 GLU B 61 149.790 11.392 -11.592 1.00 0.48 H new ATOM 0 HB3 GLU B 61 148.424 11.416 -10.494 1.00 0.48 H new ATOM 0 HG2 GLU B 61 150.191 13.881 -10.756 1.00 1.30 H new ATOM 0 HG3 GLU B 61 148.957 13.565 -11.961 1.00 1.30 H new ATOM 2378 N TRP B 62 148.819 11.242 -7.655 1.00 0.40 N ATOM 2379 CA TRP B 62 148.160 11.617 -6.370 1.00 0.39 C ATOM 2380 C TRP B 62 149.180 11.673 -5.228 1.00 0.36 C ATOM 2381 O TRP B 62 149.210 12.607 -4.456 1.00 0.36 O ATOM 2382 CB TRP B 62 147.082 10.574 -6.026 1.00 0.38 C ATOM 2383 CG TRP B 62 146.605 10.784 -4.618 1.00 0.36 C ATOM 2384 CD1 TRP B 62 145.650 11.662 -4.238 1.00 0.39 C ATOM 2385 CD2 TRP B 62 147.069 10.130 -3.399 1.00 0.34 C ATOM 2386 NE1 TRP B 62 145.494 11.584 -2.863 1.00 0.37 N ATOM 2387 CE2 TRP B 62 146.348 10.654 -2.301 1.00 0.34 C ATOM 2388 CE3 TRP B 62 148.036 9.139 -3.144 1.00 0.32 C ATOM 2389 CZ2 TRP B 62 146.579 10.211 -0.995 1.00 0.34 C ATOM 2390 CZ3 TRP B 62 148.270 8.692 -1.833 1.00 0.31 C ATOM 2391 CH2 TRP B 62 147.543 9.227 -0.761 1.00 0.32 C ATOM 0 H TRP B 62 148.528 10.346 -8.046 1.00 0.40 H new ATOM 0 HA TRP B 62 147.711 12.603 -6.489 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.246 10.659 -6.720 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.487 9.568 -6.137 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.099 12.317 -4.897 1.00 0.39 H new ATOM 0 HE1 TRP B 62 144.829 12.145 -2.330 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.602 8.719 -3.962 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.016 10.627 -0.172 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.015 7.931 -1.650 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.728 8.879 0.245 1.00 0.32 H new ATOM 2402 N LEU B 63 149.996 10.668 -5.104 1.00 0.34 N ATOM 2403 CA LEU B 63 150.989 10.648 -3.994 1.00 0.32 C ATOM 2404 C LEU B 63 152.043 11.738 -4.196 1.00 0.33 C ATOM 2405 O LEU B 63 152.389 12.456 -3.278 1.00 0.32 O ATOM 2406 CB LEU B 63 151.662 9.269 -3.960 1.00 0.31 C ATOM 2407 CG LEU B 63 152.720 9.204 -2.849 1.00 0.30 C ATOM 2408 CD1 LEU B 63 152.075 9.459 -1.480 1.00 0.30 C ATOM 2409 CD2 LEU B 63 153.360 7.811 -2.861 1.00 0.32 C ATOM 0 H LEU B 63 150.020 9.858 -5.723 1.00 0.34 H new ATOM 0 HA LEU B 63 150.480 10.839 -3.049 1.00 0.32 H new ATOM 0 HB2 LEU B 63 150.910 8.497 -3.798 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.128 9.063 -4.924 1.00 0.31 H new ATOM 0 HG LEU B 63 153.476 9.969 -3.025 1.00 0.30 H new ATOM 0 HD11 LEU B 63 152.838 9.409 -0.703 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.614 10.447 -1.473 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.314 8.702 -1.290 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.114 7.750 -2.076 1.00 0.32 H new ATOM 0 HD22 LEU B 63 152.593 7.057 -2.686 1.00 0.32 H new ATOM 0 HD23 LEU B 63 153.829 7.634 -3.829 1.00 0.32 H new ATOM 2421 N LYS B 64 152.559 11.866 -5.382 1.00 0.35 N ATOM 2422 CA LYS B 64 153.594 12.905 -5.635 1.00 0.37 C ATOM 2423 C LYS B 64 153.008 14.300 -5.406 1.00 0.38 C ATOM 2424 O LYS B 64 153.589 15.126 -4.731 1.00 0.38 O ATOM 2425 CB LYS B 64 154.110 12.783 -7.071 1.00 0.41 C ATOM 2426 CG LYS B 64 155.196 13.834 -7.311 1.00 0.43 C ATOM 2427 CD LYS B 64 155.914 13.547 -8.633 1.00 0.68 C ATOM 2428 CE LYS B 64 154.925 13.629 -9.802 1.00 1.24 C ATOM 2429 NZ LYS B 64 154.180 12.343 -9.914 1.00 2.10 N ATOM 0 H LYS B 64 152.310 11.296 -6.190 1.00 0.35 H new ATOM 0 HA LYS B 64 154.423 12.755 -4.943 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.511 11.784 -7.241 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.291 12.922 -7.777 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.752 14.829 -7.336 1.00 0.43 H new ATOM 0 HG3 LYS B 64 155.912 13.825 -6.489 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.722 14.264 -8.780 1.00 0.68 H new ATOM 0 HD3 LYS B 64 156.369 12.557 -8.601 1.00 0.68 H new ATOM 0 HE2 LYS B 64 154.228 14.453 -9.646 1.00 1.24 H new ATOM 0 HE3 LYS B 64 155.459 13.834 -10.730 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 154.127 12.058 -10.913 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 154.674 11.607 -9.370 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 153.218 12.465 -9.537 1.00 2.10 H new ATOM 2443 N ASP B 65 151.863 14.566 -5.968 1.00 0.41 N ATOM 2444 CA ASP B 65 151.235 15.906 -5.788 1.00 0.44 C ATOM 2445 C ASP B 65 150.751 16.070 -4.350 1.00 0.43 C ATOM 2446 O ASP B 65 150.592 17.171 -3.862 1.00 0.45 O ATOM 2447 CB ASP B 65 150.051 16.049 -6.744 1.00 0.48 C ATOM 2448 CG ASP B 65 150.569 16.201 -8.173 1.00 1.17 C ATOM 2449 OD1 ASP B 65 151.441 17.028 -8.381 1.00 1.90 O ATOM 2450 OD2 ASP B 65 150.089 15.488 -9.035 1.00 1.41 O ATOM 0 H ASP B 65 151.333 13.913 -6.545 1.00 0.41 H new ATOM 0 HA ASP B 65 151.975 16.676 -6.004 1.00 0.44 H new ATOM 0 HB2 ASP B 65 149.403 15.176 -6.671 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.450 16.916 -6.469 1.00 0.48 H new ATOM 2455 N THR B 66 150.476 14.987 -3.675 1.00 0.39 N ATOM 2456 CA THR B 66 149.957 15.086 -2.283 1.00 0.39 C ATOM 2457 C THR B 66 151.087 15.353 -1.285 1.00 0.38 C ATOM 2458 O THR B 66 150.864 16.017 -0.291 1.00 0.40 O ATOM 2459 CB THR B 66 149.244 13.777 -1.920 1.00 0.37 C ATOM 2460 OG1 THR B 66 148.063 13.657 -2.699 1.00 0.37 O ATOM 2461 CG2 THR B 66 148.872 13.779 -0.437 1.00 0.38 C ATOM 0 H THR B 66 150.589 14.037 -4.029 1.00 0.39 H new ATOM 0 HA THR B 66 149.260 15.922 -2.231 1.00 0.39 H new ATOM 0 HB THR B 66 149.909 12.937 -2.121 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.303 13.464 -3.629 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.366 12.846 -0.187 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.776 13.874 0.165 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.208 14.618 -0.230 1.00 0.38 H new ATOM 2469 N CYS B 67 152.277 14.831 -1.487 1.00 0.36 N ATOM 2470 CA CYS B 67 153.371 15.056 -0.480 1.00 0.37 C ATOM 2471 C CYS B 67 154.680 15.473 -1.148 1.00 0.37 C ATOM 2472 O CYS B 67 155.556 16.026 -0.513 1.00 0.39 O ATOM 2473 CB CYS B 67 153.603 13.753 0.282 1.00 0.36 C ATOM 2474 SG CYS B 67 154.009 12.435 -0.889 1.00 0.36 S ATOM 0 H CYS B 67 152.537 14.265 -2.295 1.00 0.36 H new ATOM 0 HA CYS B 67 153.061 15.859 0.189 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.413 13.878 1.000 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.711 13.488 0.850 1.00 0.36 H new ATOM 0 HG CYS B 67 153.061 12.332 -1.773 1.00 0.36 H new ATOM 2480 N GLY B 68 154.830 15.206 -2.416 1.00 0.35 N ATOM 2481 CA GLY B 68 156.095 15.578 -3.124 1.00 0.36 C ATOM 2482 C GLY B 68 156.989 14.341 -3.236 1.00 0.34 C ATOM 2483 O GLY B 68 158.148 14.435 -3.593 1.00 0.33 O ATOM 0 H GLY B 68 154.130 14.745 -2.997 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.869 15.970 -4.116 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.612 16.368 -2.579 1.00 0.36 H new ATOM 2487 N ALA B 69 156.466 13.178 -2.945 1.00 0.32 N ATOM 2488 CA ALA B 69 157.294 11.943 -3.046 1.00 0.31 C ATOM 2489 C ALA B 69 157.984 11.912 -4.408 1.00 0.31 C ATOM 2490 O ALA B 69 157.507 12.483 -5.369 1.00 0.32 O ATOM 2491 CB ALA B 69 156.394 10.713 -2.906 1.00 0.31 C ATOM 0 H ALA B 69 155.503 13.032 -2.642 1.00 0.32 H new ATOM 0 HA ALA B 69 158.042 11.938 -2.253 1.00 0.31 H new ATOM 0 HB1 ALA B 69 156.999 9.809 -2.980 1.00 0.31 H new ATOM 0 HB2 ALA B 69 155.894 10.737 -1.938 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.648 10.716 -3.700 1.00 0.31 H new ATOM 2497 N ASN B 70 159.114 11.264 -4.503 1.00 0.29 N ATOM 2498 CA ASN B 70 159.843 11.217 -5.804 1.00 0.29 C ATOM 2499 C ASN B 70 159.371 10.014 -6.620 1.00 0.29 C ATOM 2500 O ASN B 70 158.648 9.164 -6.139 1.00 0.29 O ATOM 2501 CB ASN B 70 161.344 11.090 -5.538 1.00 0.29 C ATOM 2502 CG ASN B 70 162.104 11.132 -6.864 1.00 1.07 C ATOM 2503 OD1 ASN B 70 162.363 10.107 -7.462 1.00 1.91 O ATOM 2504 ND2 ASN B 70 162.474 12.284 -7.353 1.00 1.78 N ATOM 0 H ASN B 70 159.564 10.765 -3.736 1.00 0.29 H new ATOM 0 HA ASN B 70 159.643 12.131 -6.362 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.679 11.900 -4.889 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.554 10.156 -5.016 1.00 0.29 H new ATOM 0 HD21 ASN B 70 162.981 12.324 -8.237 1.00 1.78 H new ATOM 0 HD22 ASN B 70 162.256 13.145 -6.851 1.00 1.78 H new ATOM 2511 N ALA B 71 159.767 9.951 -7.859 1.00 0.31 N ATOM 2512 CA ALA B 71 159.341 8.823 -8.732 1.00 0.33 C ATOM 2513 C ALA B 71 159.812 7.488 -8.151 1.00 0.31 C ATOM 2514 O ALA B 71 159.146 6.487 -8.281 1.00 0.31 O ATOM 2515 CB ALA B 71 159.946 9.004 -10.124 1.00 0.38 C ATOM 0 H ALA B 71 160.372 10.638 -8.308 1.00 0.31 H new ATOM 0 HA ALA B 71 158.253 8.819 -8.793 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.636 8.179 -10.766 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.601 9.946 -10.551 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.033 9.016 -10.049 1.00 0.38 H new ATOM 2521 N LYS B 72 160.953 7.451 -7.523 1.00 0.29 N ATOM 2522 CA LYS B 72 161.434 6.151 -6.968 1.00 0.28 C ATOM 2523 C LYS B 72 160.596 5.753 -5.756 1.00 0.26 C ATOM 2524 O LYS B 72 160.278 4.596 -5.555 1.00 0.26 O ATOM 2525 CB LYS B 72 162.898 6.290 -6.550 1.00 0.28 C ATOM 2526 CG LYS B 72 163.762 6.487 -7.795 1.00 1.18 C ATOM 2527 CD LYS B 72 165.229 6.625 -7.386 1.00 1.28 C ATOM 2528 CE LYS B 72 166.086 6.821 -8.637 1.00 2.10 C ATOM 2529 NZ LYS B 72 165.752 8.132 -9.262 1.00 2.57 N ATOM 0 H LYS B 72 161.567 8.251 -7.370 1.00 0.29 H new ATOM 0 HA LYS B 72 161.339 5.380 -7.733 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.016 7.136 -5.874 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.219 5.401 -6.007 1.00 0.28 H new ATOM 0 HG2 LYS B 72 163.641 5.641 -8.471 1.00 1.18 H new ATOM 0 HG3 LYS B 72 163.440 7.377 -8.336 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.352 7.472 -6.711 1.00 1.28 H new ATOM 0 HD3 LYS B 72 165.553 5.736 -6.845 1.00 1.28 H new ATOM 0 HE2 LYS B 72 167.144 6.788 -8.376 1.00 2.10 H new ATOM 0 HE3 LYS B 72 165.907 6.012 -9.345 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 166.530 8.428 -9.886 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 164.878 8.039 -9.819 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 165.614 8.846 -8.518 1.00 2.57 H new ATOM 2543 N GLN B 73 160.258 6.702 -4.932 1.00 0.25 N ATOM 2544 CA GLN B 73 159.469 6.395 -3.711 1.00 0.24 C ATOM 2545 C GLN B 73 158.051 5.971 -4.080 1.00 0.25 C ATOM 2546 O GLN B 73 157.477 5.096 -3.462 1.00 0.25 O ATOM 2547 CB GLN B 73 159.433 7.636 -2.820 1.00 0.26 C ATOM 2548 CG GLN B 73 160.831 7.867 -2.240 1.00 0.28 C ATOM 2549 CD GLN B 73 160.826 9.108 -1.348 1.00 1.25 C ATOM 2550 OE1 GLN B 73 160.900 9.002 -0.140 1.00 2.12 O ATOM 2551 NE2 GLN B 73 160.746 10.290 -1.897 1.00 1.89 N ATOM 0 H GLN B 73 160.497 7.686 -5.054 1.00 0.25 H new ATOM 0 HA GLN B 73 159.939 5.570 -3.176 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.115 8.505 -3.396 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.708 7.503 -2.017 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.144 6.996 -1.664 1.00 0.28 H new ATOM 0 HG3 GLN B 73 161.553 7.992 -3.047 1.00 0.28 H new ATOM 0 HE21 GLN B 73 160.684 10.378 -2.911 1.00 1.89 H new ATOM 0 HE22 GLN B 73 160.746 11.125 -1.312 1.00 1.89 H new ATOM 2560 N SER B 74 157.470 6.584 -5.075 1.00 0.26 N ATOM 2561 CA SER B 74 156.086 6.213 -5.464 1.00 0.27 C ATOM 2562 C SER B 74 156.068 4.792 -6.036 1.00 0.26 C ATOM 2563 O SER B 74 155.149 4.034 -5.796 1.00 0.26 O ATOM 2564 CB SER B 74 155.573 7.197 -6.513 1.00 0.30 C ATOM 2565 OG SER B 74 155.698 8.522 -6.012 1.00 1.36 O ATOM 0 H SER B 74 157.896 7.324 -5.633 1.00 0.26 H new ATOM 0 HA SER B 74 155.442 6.250 -4.585 1.00 0.27 H new ATOM 0 HB2 SER B 74 156.140 7.090 -7.438 1.00 0.30 H new ATOM 0 HB3 SER B 74 154.531 6.982 -6.752 1.00 0.30 H new ATOM 0 HG SER B 74 156.636 8.801 -6.056 1.00 1.36 H new ATOM 2571 N ARG B 75 157.071 4.416 -6.790 1.00 0.27 N ATOM 2572 CA ARG B 75 157.092 3.040 -7.365 1.00 0.27 C ATOM 2573 C ARG B 75 157.075 2.016 -6.233 1.00 0.26 C ATOM 2574 O ARG B 75 156.454 0.978 -6.345 1.00 0.26 O ATOM 2575 CB ARG B 75 158.345 2.853 -8.222 1.00 0.29 C ATOM 2576 CG ARG B 75 158.210 3.682 -9.501 1.00 0.32 C ATOM 2577 CD ARG B 75 159.471 3.524 -10.350 1.00 0.61 C ATOM 2578 NE ARG B 75 159.518 2.143 -10.905 1.00 1.35 N ATOM 2579 CZ ARG B 75 160.339 1.858 -11.879 1.00 1.82 C ATOM 2580 NH1 ARG B 75 161.139 2.776 -12.349 1.00 1.89 N ATOM 2581 NH2 ARG B 75 160.362 0.654 -12.379 1.00 2.81 N ATOM 0 H ARG B 75 157.872 5.001 -7.030 1.00 0.27 H new ATOM 0 HA ARG B 75 156.213 2.897 -7.993 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.230 3.163 -7.666 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.477 1.800 -8.470 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.336 3.358 -10.066 1.00 0.32 H new ATOM 0 HG3 ARG B 75 158.057 4.732 -9.251 1.00 0.32 H new ATOM 0 HD2 ARG B 75 159.473 4.254 -11.159 1.00 0.61 H new ATOM 0 HD3 ARG B 75 160.357 3.716 -9.745 1.00 0.61 H new ATOM 0 HE ARG B 75 158.908 1.419 -10.524 1.00 1.35 H new ATOM 0 HH11 ARG B 75 161.123 3.717 -11.955 1.00 1.89 H new ATOM 0 HH12 ARG B 75 161.780 2.553 -13.110 1.00 1.89 H new ATOM 0 HH21 ARG B 75 159.739 -0.064 -12.009 1.00 2.81 H new ATOM 0 HH22 ARG B 75 161.003 0.430 -13.140 1.00 2.81 H new ATOM 2595 N ASP B 76 157.759 2.272 -5.150 1.00 0.24 N ATOM 2596 CA ASP B 76 157.790 1.293 -4.030 1.00 0.24 C ATOM 2597 C ASP B 76 156.417 1.197 -3.371 1.00 0.22 C ATOM 2598 O ASP B 76 155.967 0.124 -3.025 1.00 0.22 O ATOM 2599 CB ASP B 76 158.822 1.737 -2.991 1.00 0.23 C ATOM 2600 CG ASP B 76 160.229 1.569 -3.568 1.00 0.25 C ATOM 2601 OD1 ASP B 76 160.374 0.813 -4.514 1.00 0.40 O ATOM 2602 OD2 ASP B 76 161.137 2.202 -3.055 1.00 0.39 O ATOM 0 H ASP B 76 158.300 3.123 -4.994 1.00 0.24 H new ATOM 0 HA ASP B 76 158.062 0.315 -4.426 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.652 2.778 -2.715 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.717 1.145 -2.082 1.00 0.23 H new ATOM 2607 N CYS B 77 155.731 2.294 -3.201 1.00 0.22 N ATOM 2608 CA CYS B 77 154.384 2.219 -2.576 1.00 0.21 C ATOM 2609 C CYS B 77 153.438 1.478 -3.518 1.00 0.22 C ATOM 2610 O CYS B 77 152.617 0.694 -3.093 1.00 0.21 O ATOM 2611 CB CYS B 77 153.854 3.633 -2.331 1.00 0.22 C ATOM 2612 SG CYS B 77 154.762 4.388 -0.961 1.00 0.23 S ATOM 0 H CYS B 77 156.042 3.229 -3.465 1.00 0.22 H new ATOM 0 HA CYS B 77 154.449 1.689 -1.626 1.00 0.21 H new ATOM 0 HB2 CYS B 77 153.966 4.236 -3.232 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.789 3.599 -2.101 1.00 0.22 H new ATOM 0 HG CYS B 77 155.397 3.466 -0.300 1.00 0.23 H new ATOM 2618 N PHE B 78 153.534 1.723 -4.795 1.00 0.23 N ATOM 2619 CA PHE B 78 152.618 1.029 -5.735 1.00 0.25 C ATOM 2620 C PHE B 78 152.795 -0.483 -5.611 1.00 0.24 C ATOM 2621 O PHE B 78 151.872 -1.201 -5.285 1.00 0.23 O ATOM 2622 CB PHE B 78 152.940 1.467 -7.164 1.00 0.28 C ATOM 2623 CG PHE B 78 152.065 0.709 -8.128 1.00 0.32 C ATOM 2624 CD1 PHE B 78 150.817 1.223 -8.488 1.00 0.36 C ATOM 2625 CD2 PHE B 78 152.504 -0.508 -8.663 1.00 0.38 C ATOM 2626 CE1 PHE B 78 150.002 0.521 -9.383 1.00 0.40 C ATOM 2627 CE2 PHE B 78 151.691 -1.210 -9.559 1.00 0.43 C ATOM 2628 CZ PHE B 78 150.440 -0.696 -9.920 1.00 0.42 C ATOM 0 H PHE B 78 154.200 2.367 -5.223 1.00 0.23 H new ATOM 0 HA PHE B 78 151.587 1.287 -5.494 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.777 2.539 -7.273 1.00 0.28 H new ATOM 0 HB3 PHE B 78 153.991 1.280 -7.385 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.481 2.163 -8.075 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.469 -0.904 -8.384 1.00 0.38 H new ATOM 0 HE1 PHE B 78 149.036 0.917 -9.659 1.00 0.40 H new ATOM 0 HE2 PHE B 78 152.029 -2.149 -9.972 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.813 -1.238 -10.612 1.00 0.42 H new ATOM 2638 N GLY B 79 153.972 -0.974 -5.880 1.00 0.25 N ATOM 2639 CA GLY B 79 154.213 -2.440 -5.791 1.00 0.25 C ATOM 2640 C GLY B 79 154.042 -2.925 -4.349 1.00 0.23 C ATOM 2641 O GLY B 79 153.588 -4.021 -4.103 1.00 0.24 O ATOM 0 H GLY B 79 154.781 -0.420 -6.159 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.518 -2.969 -6.444 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.219 -2.671 -6.142 1.00 0.25 H new ATOM 2645 N CYS B 80 154.396 -2.120 -3.391 1.00 0.22 N ATOM 2646 CA CYS B 80 154.242 -2.558 -1.976 1.00 0.21 C ATOM 2647 C CYS B 80 152.759 -2.638 -1.620 1.00 0.21 C ATOM 2648 O CYS B 80 152.288 -3.636 -1.112 1.00 0.22 O ATOM 2649 CB CYS B 80 154.943 -1.562 -1.056 1.00 0.22 C ATOM 2650 SG CYS B 80 154.788 -2.113 0.663 1.00 0.24 S ATOM 0 H CYS B 80 154.782 -1.185 -3.522 1.00 0.22 H new ATOM 0 HA CYS B 80 154.692 -3.543 -1.850 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.995 -1.478 -1.328 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.503 -0.572 -1.172 1.00 0.22 H new ATOM 0 HG CYS B 80 154.361 -1.129 1.397 1.00 0.24 H new ATOM 2656 N LEU B 81 152.009 -1.611 -1.905 1.00 0.21 N ATOM 2657 CA LEU B 81 150.553 -1.674 -1.600 1.00 0.21 C ATOM 2658 C LEU B 81 149.886 -2.671 -2.556 1.00 0.21 C ATOM 2659 O LEU B 81 149.018 -3.427 -2.169 1.00 0.22 O ATOM 2660 CB LEU B 81 149.926 -0.287 -1.781 1.00 0.22 C ATOM 2661 CG LEU B 81 150.560 0.716 -0.803 1.00 0.24 C ATOM 2662 CD1 LEU B 81 149.952 2.101 -1.045 1.00 0.29 C ATOM 2663 CD2 LEU B 81 150.299 0.283 0.651 1.00 0.28 C ATOM 0 H LEU B 81 152.335 -0.743 -2.330 1.00 0.21 H new ATOM 0 HA LEU B 81 150.407 -1.998 -0.569 1.00 0.21 H new ATOM 0 HB2 LEU B 81 150.070 0.054 -2.806 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.851 -0.341 -1.611 1.00 0.22 H new ATOM 0 HG LEU B 81 151.637 0.748 -0.969 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.396 2.819 -0.355 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.151 2.412 -2.071 1.00 0.29 H new ATOM 0 HD13 LEU B 81 148.875 2.059 -0.882 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.754 1.002 1.332 1.00 0.28 H new ATOM 0 HD22 LEU B 81 149.225 0.242 0.831 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.734 -0.702 0.821 1.00 0.28 H new ATOM 2675 N ARG B 82 150.281 -2.675 -3.804 1.00 0.22 N ATOM 2676 CA ARG B 82 149.659 -3.621 -4.779 1.00 0.24 C ATOM 2677 C ARG B 82 149.947 -5.066 -4.368 1.00 0.25 C ATOM 2678 O ARG B 82 149.099 -5.929 -4.476 1.00 0.26 O ATOM 2679 CB ARG B 82 150.214 -3.372 -6.182 1.00 0.28 C ATOM 2680 CG ARG B 82 149.477 -4.268 -7.186 1.00 0.32 C ATOM 2681 CD ARG B 82 150.023 -4.020 -8.592 1.00 0.85 C ATOM 2682 NE ARG B 82 149.301 -4.884 -9.568 1.00 1.42 N ATOM 2683 CZ ARG B 82 149.377 -4.623 -10.845 1.00 1.96 C ATOM 2684 NH1 ARG B 82 150.091 -3.614 -11.261 1.00 2.26 N ATOM 2685 NH2 ARG B 82 148.740 -5.371 -11.704 1.00 2.74 N ATOM 0 H ARG B 82 151.004 -2.067 -4.189 1.00 0.22 H new ATOM 0 HA ARG B 82 148.582 -3.455 -4.783 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.090 -2.324 -6.454 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.283 -3.583 -6.205 1.00 0.28 H new ATOM 0 HG2 ARG B 82 149.604 -5.316 -6.915 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.408 -4.059 -7.158 1.00 0.32 H new ATOM 0 HD2 ARG B 82 149.901 -2.971 -8.860 1.00 0.85 H new ATOM 0 HD3 ARG B 82 151.091 -4.235 -8.621 1.00 0.85 H new ATOM 0 HE ARG B 82 148.749 -5.677 -9.240 1.00 1.42 H new ATOM 0 HH11 ARG B 82 150.589 -3.030 -10.589 1.00 2.26 H new ATOM 0 HH12 ARG B 82 150.151 -3.409 -12.258 1.00 2.26 H new ATOM 0 HH21 ARG B 82 148.182 -6.160 -11.378 1.00 2.74 H new ATOM 0 HH22 ARG B 82 148.800 -5.166 -12.701 1.00 2.74 H new ATOM 2699 N GLU B 83 151.137 -5.343 -3.908 1.00 0.25 N ATOM 2700 CA GLU B 83 151.472 -6.738 -3.506 1.00 0.27 C ATOM 2701 C GLU B 83 150.696 -7.116 -2.246 1.00 0.27 C ATOM 2702 O GLU B 83 150.248 -8.237 -2.104 1.00 0.28 O ATOM 2703 CB GLU B 83 152.978 -6.855 -3.257 1.00 0.29 C ATOM 2704 CG GLU B 83 153.720 -6.826 -4.598 1.00 0.33 C ATOM 2705 CD GLU B 83 153.524 -8.156 -5.330 1.00 1.20 C ATOM 2706 OE1 GLU B 83 153.192 -9.129 -4.675 1.00 1.91 O ATOM 2707 OE2 GLU B 83 153.709 -8.177 -6.536 1.00 1.57 O ATOM 0 H GLU B 83 151.890 -4.665 -3.794 1.00 0.25 H new ATOM 0 HA GLU B 83 151.192 -7.422 -4.307 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.318 -6.036 -2.623 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.199 -7.781 -2.727 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.349 -6.005 -5.211 1.00 0.33 H new ATOM 0 HG3 GLU B 83 154.782 -6.645 -4.432 1.00 0.33 H new ATOM 2714 N TRP B 84 150.504 -6.201 -1.331 1.00 0.25 N ATOM 2715 CA TRP B 84 149.728 -6.540 -0.107 1.00 0.25 C ATOM 2716 C TRP B 84 148.330 -6.972 -0.555 1.00 0.26 C ATOM 2717 O TRP B 84 147.779 -7.941 -0.075 1.00 0.28 O ATOM 2718 CB TRP B 84 149.631 -5.305 0.796 1.00 0.25 C ATOM 2719 CG TRP B 84 149.005 -5.682 2.100 1.00 0.27 C ATOM 2720 CD1 TRP B 84 149.687 -5.999 3.226 1.00 0.30 C ATOM 2721 CD2 TRP B 84 147.591 -5.793 2.434 1.00 0.29 C ATOM 2722 NE1 TRP B 84 148.782 -6.292 4.229 1.00 0.32 N ATOM 2723 CE2 TRP B 84 147.480 -6.182 3.791 1.00 0.32 C ATOM 2724 CE3 TRP B 84 146.406 -5.597 1.702 1.00 0.31 C ATOM 2725 CZ2 TRP B 84 146.241 -6.369 4.399 1.00 0.35 C ATOM 2726 CZ3 TRP B 84 145.155 -5.786 2.313 1.00 0.35 C ATOM 2727 CH2 TRP B 84 145.074 -6.171 3.659 1.00 0.36 C ATOM 0 H TRP B 84 150.849 -5.242 -1.380 1.00 0.25 H new ATOM 0 HA TRP B 84 150.213 -7.340 0.453 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.624 -4.888 0.965 1.00 0.25 H new ATOM 0 HB3 TRP B 84 149.039 -4.531 0.308 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.762 -6.020 3.324 1.00 0.30 H new ATOM 0 HE1 TRP B 84 149.046 -6.557 5.178 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.458 -5.300 0.665 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 146.183 -6.665 5.436 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.251 -5.634 1.743 1.00 0.35 H new ATOM 0 HH2 TRP B 84 144.109 -6.314 4.123 1.00 0.36 H new ATOM 2738 N CYS B 85 147.765 -6.263 -1.495 1.00 0.27 N ATOM 2739 CA CYS B 85 146.412 -6.639 -1.997 1.00 0.30 C ATOM 2740 C CYS B 85 146.494 -8.013 -2.665 1.00 0.33 C ATOM 2741 O CYS B 85 145.619 -8.842 -2.520 1.00 0.36 O ATOM 2742 CB CYS B 85 145.942 -5.606 -3.024 1.00 0.33 C ATOM 2743 SG CYS B 85 145.578 -4.043 -2.191 1.00 0.33 S ATOM 0 H CYS B 85 148.180 -5.442 -1.936 1.00 0.27 H new ATOM 0 HA CYS B 85 145.707 -6.670 -1.166 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.711 -5.455 -3.781 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.054 -5.970 -3.540 1.00 0.33 H new ATOM 0 HG CYS B 85 146.686 -3.398 -1.976 1.00 0.33 H new ATOM 2749 N ASP B 86 147.547 -8.255 -3.394 1.00 0.34 N ATOM 2750 CA ASP B 86 147.707 -9.568 -4.078 1.00 0.40 C ATOM 2751 C ASP B 86 147.729 -10.688 -3.038 1.00 0.41 C ATOM 2752 O ASP B 86 147.208 -11.763 -3.256 1.00 0.43 O ATOM 2753 CB ASP B 86 149.012 -9.581 -4.869 1.00 0.42 C ATOM 2754 CG ASP B 86 148.895 -8.623 -6.057 1.00 0.43 C ATOM 2755 OD1 ASP B 86 147.778 -8.287 -6.413 1.00 0.55 O ATOM 2756 OD2 ASP B 86 149.924 -8.242 -6.588 1.00 0.52 O ATOM 0 H ASP B 86 148.309 -7.595 -3.546 1.00 0.34 H new ATOM 0 HA ASP B 86 146.871 -9.722 -4.760 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.842 -9.283 -4.228 1.00 0.42 H new ATOM 0 HB3 ASP B 86 149.227 -10.590 -5.221 1.00 0.42 H new ATOM 2761 N ALA B 87 148.352 -10.452 -1.913 1.00 0.40 N ATOM 2762 CA ALA B 87 148.434 -11.509 -0.865 1.00 0.43 C ATOM 2763 C ALA B 87 147.183 -11.474 0.012 1.00 0.43 C ATOM 2764 O ALA B 87 146.667 -12.500 0.409 1.00 0.47 O ATOM 2765 CB ALA B 87 149.668 -11.261 0.008 1.00 0.40 C ATOM 0 H ALA B 87 148.808 -9.571 -1.676 1.00 0.40 H new ATOM 0 HA ALA B 87 148.508 -12.484 -1.346 1.00 0.43 H new ATOM 0 HB1 ALA B 87 149.731 -12.032 0.776 1.00 0.40 H new ATOM 0 HB2 ALA B 87 150.564 -11.291 -0.612 1.00 0.40 H new ATOM 0 HB3 ALA B 87 149.588 -10.283 0.482 1.00 0.40 H new ATOM 2771 N PHE B 88 146.698 -10.303 0.338 1.00 0.39 N ATOM 2772 CA PHE B 88 145.488 -10.210 1.211 1.00 0.44 C ATOM 2773 C PHE B 88 144.231 -10.006 0.364 1.00 0.54 C ATOM 2774 O PHE B 88 143.497 -10.934 0.089 1.00 1.24 O ATOM 2775 CB PHE B 88 145.638 -9.011 2.151 1.00 0.41 C ATOM 2776 CG PHE B 88 146.645 -9.322 3.230 1.00 0.38 C ATOM 2777 CD1 PHE B 88 146.226 -9.916 4.426 1.00 0.43 C ATOM 2778 CD2 PHE B 88 147.996 -9.005 3.043 1.00 0.35 C ATOM 2779 CE1 PHE B 88 147.157 -10.196 5.433 1.00 0.46 C ATOM 2780 CE2 PHE B 88 148.927 -9.283 4.050 1.00 0.39 C ATOM 2781 CZ PHE B 88 148.507 -9.879 5.245 1.00 0.44 C ATOM 0 H PHE B 88 147.086 -9.409 0.038 1.00 0.39 H new ATOM 0 HA PHE B 88 145.395 -11.136 1.779 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.957 -8.134 1.587 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.675 -8.768 2.600 1.00 0.41 H new ATOM 0 HD1 PHE B 88 145.184 -10.158 4.572 1.00 0.43 H new ATOM 0 HD2 PHE B 88 148.320 -8.546 2.121 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.834 -10.657 6.355 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.969 -9.038 3.905 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.225 -10.094 6.022 1.00 0.44 H new ATOM 2791 N LEU B 89 143.962 -8.785 -0.024 1.00 0.39 N ATOM 2792 CA LEU B 89 142.738 -8.487 -0.822 1.00 0.36 C ATOM 2793 C LEU B 89 143.021 -8.688 -2.312 1.00 0.87 C ATOM 2794 O LEU B 89 142.717 -9.758 -2.813 1.00 1.43 O ATOM 2795 CB LEU B 89 142.345 -7.028 -0.559 1.00 0.74 C ATOM 2796 CG LEU B 89 141.182 -6.596 -1.463 1.00 0.47 C ATOM 2797 CD1 LEU B 89 140.045 -7.622 -1.399 1.00 1.00 C ATOM 2798 CD2 LEU B 89 140.660 -5.238 -0.981 1.00 1.27 C ATOM 2799 OXT LEU B 89 143.536 -7.769 -2.927 1.00 1.67 O ATOM 0 H LEU B 89 144.546 -7.974 0.181 1.00 0.39 H new ATOM 0 HA LEU B 89 141.928 -9.157 -0.533 1.00 0.36 H new ATOM 0 HB2 LEU B 89 142.061 -6.908 0.486 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.204 -6.380 -0.732 1.00 0.74 H new ATOM 0 HG LEU B 89 141.535 -6.526 -2.492 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.228 -7.301 -2.045 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.412 -8.593 -1.733 1.00 1.00 H new ATOM 0 HD13 LEU B 89 139.685 -7.703 -0.373 1.00 1.00 H new ATOM 0 HD21 LEU B 89 139.833 -4.920 -1.616 1.00 1.27 H new ATOM 0 HD22 LEU B 89 140.314 -5.326 0.049 1.00 1.27 H new ATOM 0 HD23 LEU B 89 141.461 -4.501 -1.033 1.00 1.27 H new