USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1214 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 64 HIS : no HD1:sc= -0.328 K(o=-1.6,f=-4.8!) USER MOD Set 1.2: B 66 SER OG : rot 180:sc= 0 USER MOD Set 1.3: B 67 SER OG : rot -137:sc= -1.32! USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.355 K(o=-1.9,f=-4.7!) USER MOD Set 2.2: A 66 SER OG : rot 180:sc=-0.00206 USER MOD Set 2.3: A 67 SER OG : rot -136:sc= -1.49! USER MOD Single : A 1 MET CE :methyl -118:sc= -0.125 (180deg=-0.631) USER MOD Single : A 1 MET N :NH3+ -138:sc= 1.36 (180deg=0.547) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -105:sc= -2.2! (180deg=-4.98!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -5.3! C(o=-5.3!,f=-12!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 29 ASN : amide:sc= -5.34! C(o=-5.3!,f=-15!) USER MOD Single : A 31 GLN : amide:sc= -7.75! C(o=-7.7!,f=-12!) USER MOD Single : A 33 CYS SG : rot -32:sc= -10.2! USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0163 USER MOD Single : A 39 ASN : amide:sc= -4.49! C(o=-4.5!,f=-5!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= -0.0811 (180deg=-0.428) USER MOD Single : A 48 THR OG1 : rot -140:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.387 K(o=-0.39,f=-2.1!) USER MOD Single : A 56 TYR OH : rot -15:sc= 0.384 USER MOD Single : A 61 TYR OH : rot -15:sc= -0.118 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.701 USER MOD Single : A 69 LYS NZ :NH3+ 147:sc= -0.168 (180deg=-1.29) USER MOD Single : A 72 GLN : amide:sc= -7.2! C(o=-7.2!,f=-3.7!) USER MOD Single : A 75 SER OG : rot -73:sc= 0.33 USER MOD Single : A 77 MET CE :methyl -174:sc= 0 (180deg=-0.0295) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -122:sc= -0.113 (180deg=-0.772) USER MOD Single : B 1 MET N :NH3+ -132:sc= 1.34 (180deg=0.578) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -107:sc= -2.16! (180deg=-4.94!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -5.2! C(o=-5.2!,f=-12!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : B 29 ASN : amide:sc= -4.73! C(o=-4.7!,f=-14!) USER MOD Single : B 31 GLN : amide:sc= -7.97! C(o=-8!,f=-12!) USER MOD Single : B 33 CYS SG : rot -33:sc= -10.2! USER MOD Single : B 34 TYR OH : rot 180:sc= -0.0134 USER MOD Single : B 39 ASN : amide:sc= -4.59! C(o=-4.6!,f=-5.3!) USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 46 LYS NZ :NH3+ -151:sc= -0.0597 (180deg=-0.416) USER MOD Single : B 48 THR OG1 : rot -140:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.412 K(o=-0.41,f=-2.1!) USER MOD Single : B 56 TYR OH : rot -14:sc= 0.393 USER MOD Single : B 61 TYR OH : rot -15:sc= -0.107 USER MOD Single : B 62 THR OG1 : rot 40:sc= -0.574! USER MOD Single : B 69 LYS NZ :NH3+ 152:sc= -0.232 (180deg=-1.26!) USER MOD Single : B 72 GLN : amide:sc= -7.28! C(o=-7.3!,f=-4!) USER MOD Single : B 75 SER OG : rot -69:sc= 0.182 USER MOD Single : B 77 MET CE :methyl -176:sc= 0 (180deg=-0.0302) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.902 17.272 3.526 1.00 42.32 N ATOM 2 CA MET A 1 -1.836 16.280 3.210 1.00 40.89 C ATOM 3 C MET A 1 -1.749 15.251 4.334 1.00 34.75 C ATOM 4 O MET A 1 -2.437 15.345 5.331 1.00 33.97 O ATOM 5 CB MET A 1 -0.485 16.999 3.081 1.00 48.45 C ATOM 6 CG MET A 1 0.003 17.455 4.464 1.00 56.13 C ATOM 7 SD MET A 1 -0.839 18.990 4.923 1.00 64.91 S ATOM 8 CE MET A 1 0.103 20.097 3.844 1.00 63.43 C ATOM 0 H1 MET A 1 -3.451 17.478 2.667 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.533 16.883 4.255 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.467 18.149 3.877 1.00 42.32 H new ATOM 0 HA MET A 1 -2.076 15.781 2.271 1.00 40.89 H new ATOM 0 HB2 MET A 1 0.249 16.332 2.629 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.584 17.860 2.419 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.197 16.682 5.206 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.082 17.610 4.448 1.00 56.13 H new ATOM 0 HE1 MET A 1 0.639 20.827 4.450 1.00 63.43 H new ATOM 0 HE2 MET A 1 0.817 19.516 3.261 1.00 63.43 H new ATOM 0 HE3 MET A 1 -0.579 20.615 3.170 1.00 63.43 H new ATOM 20 N ILE A 2 -0.890 14.281 4.194 1.00 28.59 N ATOM 21 CA ILE A 2 -0.742 13.266 5.269 1.00 24.58 C ATOM 22 C ILE A 2 0.014 13.909 6.427 1.00 19.29 C ATOM 23 O ILE A 2 1.140 13.564 6.728 1.00 19.53 O ATOM 24 CB ILE A 2 0.044 12.075 4.743 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.494 11.683 3.372 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.116 10.904 5.703 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.671 11.539 2.405 1.00 33.80 C ATOM 0 H ILE A 2 -0.286 14.148 3.383 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.721 12.921 5.602 1.00 24.58 H new ATOM 0 HB ILE A 2 1.099 12.338 4.660 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.046 10.746 3.438 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.191 12.439 3.011 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.446 10.048 5.330 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.262 11.185 6.686 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.170 10.639 5.782 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.295 11.259 1.421 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.203 12.487 2.333 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.351 10.768 2.767 1.00 33.80 H new ATOM 39 N LYS A 3 -0.599 14.866 7.053 1.00 18.14 N ATOM 40 CA LYS A 3 0.059 15.585 8.176 1.00 16.66 C ATOM 41 C LYS A 3 0.487 14.614 9.275 1.00 14.94 C ATOM 42 O LYS A 3 0.269 13.421 9.197 1.00 13.94 O ATOM 43 CB LYS A 3 -0.909 16.618 8.757 1.00 16.94 C ATOM 44 CG LYS A 3 -0.528 18.013 8.257 1.00 17.85 C ATOM 45 CD LYS A 3 -1.696 18.975 8.481 1.00 19.63 C ATOM 46 CE LYS A 3 -1.564 19.630 9.857 1.00 26.28 C ATOM 47 NZ LYS A 3 -2.621 19.098 10.764 1.00 32.72 N ATOM 0 H LYS A 3 -1.542 15.187 6.833 1.00 18.14 H new ATOM 0 HA LYS A 3 0.949 16.082 7.791 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -1.931 16.381 8.461 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.877 16.589 9.846 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.357 18.370 8.784 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -0.274 17.974 7.198 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -1.706 19.738 7.703 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -2.642 18.437 8.412 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -0.577 19.429 10.274 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -1.658 20.712 9.767 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -2.532 19.543 11.700 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -3.558 19.311 10.367 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -2.511 18.068 10.859 1.00 32.72 H new ATOM 61 N VAL A 4 1.102 15.136 10.298 1.00 12.42 N ATOM 62 CA VAL A 4 1.568 14.287 11.428 1.00 12.99 C ATOM 63 C VAL A 4 2.370 15.159 12.395 1.00 14.26 C ATOM 64 O VAL A 4 2.756 16.267 12.082 1.00 13.80 O ATOM 65 CB VAL A 4 2.450 13.141 10.890 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.171 13.605 9.630 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.492 12.713 11.939 1.00 10.41 C ATOM 0 H VAL A 4 1.304 16.130 10.400 1.00 12.42 H new ATOM 0 HA VAL A 4 0.714 13.853 11.947 1.00 12.99 H new ATOM 0 HB VAL A 4 1.809 12.289 10.665 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.795 12.796 9.249 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.438 13.885 8.874 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.797 14.466 9.865 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.102 11.904 11.537 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.131 13.561 12.185 1.00 10.41 H new ATOM 0 HG23 VAL A 4 2.982 12.370 12.839 1.00 10.41 H new ATOM 77 N GLU A 5 2.623 14.655 13.564 1.00 9.27 N ATOM 78 CA GLU A 5 3.402 15.431 14.564 1.00 10.51 C ATOM 79 C GLU A 5 4.394 14.502 15.240 1.00 10.00 C ATOM 80 O GLU A 5 4.026 13.592 15.957 1.00 10.96 O ATOM 81 CB GLU A 5 2.455 16.018 15.609 1.00 10.42 C ATOM 82 CG GLU A 5 1.768 17.249 15.024 1.00 18.68 C ATOM 83 CD GLU A 5 0.564 17.626 15.890 1.00 18.63 C ATOM 84 OE1 GLU A 5 0.773 18.000 17.031 1.00 22.12 O ATOM 85 OE2 GLU A 5 -0.548 17.532 15.395 1.00 19.38 O ATOM 0 H GLU A 5 2.322 13.731 13.874 1.00 9.27 H new ATOM 0 HA GLU A 5 3.934 16.244 14.069 1.00 10.51 H new ATOM 0 HB2 GLU A 5 1.712 15.276 15.902 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.008 16.288 16.509 1.00 10.42 H new ATOM 0 HG2 GLU A 5 2.470 18.082 14.977 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.445 17.047 14.003 1.00 18.68 H new ATOM 92 N ILE A 6 5.652 14.727 15.023 1.00 9.86 N ATOM 93 CA ILE A 6 6.668 13.854 15.671 1.00 10.60 C ATOM 94 C ILE A 6 6.698 14.212 17.167 1.00 10.16 C ATOM 95 O ILE A 6 7.221 15.236 17.561 1.00 11.64 O ATOM 96 CB ILE A 6 8.047 14.053 14.986 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.512 12.716 14.398 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.098 14.550 15.980 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.221 12.685 12.895 1.00 13.81 C ATOM 0 H ILE A 6 6.023 15.470 14.431 1.00 9.86 H new ATOM 0 HA ILE A 6 6.417 12.799 15.564 1.00 10.60 H new ATOM 0 HB ILE A 6 7.934 14.802 14.202 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.579 12.581 14.575 1.00 14.23 H new ATOM 0 HG13 ILE A 6 8.000 11.892 14.895 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.051 14.679 15.468 1.00 12.29 H new ATOM 0 HG22 ILE A 6 8.780 15.504 16.399 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.213 13.821 16.783 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.553 11.733 12.480 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.150 12.800 12.729 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.753 13.500 12.404 1.00 13.81 H new ATOM 111 N LYS A 7 6.113 13.389 18.002 1.00 11.63 N ATOM 112 CA LYS A 7 6.087 13.695 19.458 1.00 11.59 C ATOM 113 C LYS A 7 7.483 14.122 19.919 1.00 12.98 C ATOM 114 O LYS A 7 8.436 14.022 19.171 1.00 9.79 O ATOM 115 CB LYS A 7 5.640 12.445 20.220 1.00 12.52 C ATOM 116 CG LYS A 7 4.183 12.600 20.678 1.00 14.26 C ATOM 117 CD LYS A 7 3.336 13.228 19.566 1.00 15.70 C ATOM 118 CE LYS A 7 2.872 14.616 20.001 1.00 19.19 C ATOM 119 NZ LYS A 7 3.564 15.656 19.188 1.00 25.43 N ATOM 0 H LYS A 7 5.653 12.519 17.734 1.00 11.63 H new ATOM 0 HA LYS A 7 5.389 14.509 19.655 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.737 11.566 19.582 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.286 12.285 21.083 1.00 12.52 H new ATOM 0 HG2 LYS A 7 3.775 11.626 20.948 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.141 13.223 21.572 1.00 14.26 H new ATOM 0 HD2 LYS A 7 3.918 13.299 18.647 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.475 12.596 19.350 1.00 15.70 H new ATOM 0 HE2 LYS A 7 1.792 14.704 19.878 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.086 14.766 21.059 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 4.300 16.113 19.763 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 4.001 15.212 18.356 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 2.874 16.370 18.877 1.00 25.43 H new ATOM 133 N PRO A 8 7.562 14.586 21.140 1.00 13.56 N ATOM 134 CA PRO A 8 8.832 15.040 21.732 1.00 11.93 C ATOM 135 C PRO A 8 9.697 13.838 22.099 1.00 10.20 C ATOM 136 O PRO A 8 10.910 13.905 22.101 1.00 12.05 O ATOM 137 CB PRO A 8 8.395 15.819 22.976 1.00 12.78 C ATOM 138 CG PRO A 8 6.979 15.309 23.333 1.00 12.51 C ATOM 139 CD PRO A 8 6.398 14.695 22.045 1.00 13.61 C ATOM 0 HA PRO A 8 9.434 15.649 21.057 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.087 15.653 23.801 1.00 12.78 H new ATOM 0 HB3 PRO A 8 8.384 16.891 22.779 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.023 14.567 24.131 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.351 16.125 23.691 1.00 12.51 H new ATOM 0 HD2 PRO A 8 5.949 13.720 22.236 1.00 13.61 H new ATOM 0 HD3 PRO A 8 5.619 15.327 21.618 1.00 13.61 H new ATOM 147 N SER A 9 9.078 12.733 22.391 1.00 10.65 N ATOM 148 CA SER A 9 9.853 11.513 22.738 1.00 10.83 C ATOM 149 C SER A 9 10.179 10.747 21.454 1.00 10.94 C ATOM 150 O SER A 9 10.818 9.714 21.480 1.00 13.16 O ATOM 151 CB SER A 9 9.025 10.624 23.668 1.00 13.01 C ATOM 152 OG SER A 9 8.433 11.427 24.681 1.00 15.52 O ATOM 0 H SER A 9 8.064 12.621 22.405 1.00 10.65 H new ATOM 0 HA SER A 9 10.776 11.797 23.243 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.252 10.105 23.101 1.00 13.01 H new ATOM 0 HB3 SER A 9 9.658 9.859 24.118 1.00 13.01 H new ATOM 0 HG SER A 9 7.900 10.861 25.278 1.00 15.52 H new ATOM 158 N GLN A 10 9.747 11.252 20.329 1.00 10.02 N ATOM 159 CA GLN A 10 10.033 10.563 19.042 1.00 11.55 C ATOM 160 C GLN A 10 10.913 11.463 18.174 1.00 13.72 C ATOM 161 O GLN A 10 10.759 11.522 16.972 1.00 17.31 O ATOM 162 CB GLN A 10 8.723 10.282 18.310 1.00 6.60 C ATOM 163 CG GLN A 10 7.677 9.818 19.316 1.00 7.20 C ATOM 164 CD GLN A 10 7.986 8.385 19.754 1.00 10.36 C ATOM 165 OE1 GLN A 10 9.044 7.864 19.465 1.00 13.01 O ATOM 166 NE2 GLN A 10 7.100 7.721 20.447 1.00 4.80 N ATOM 0 H GLN A 10 9.207 12.114 20.248 1.00 10.02 H new ATOM 0 HA GLN A 10 10.548 9.623 19.239 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.379 11.180 17.798 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.875 9.518 17.547 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.671 10.480 20.182 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.683 9.867 18.871 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.211 8.158 20.690 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.297 6.766 20.745 1.00 4.80 H new ATOM 175 N ALA A 11 11.826 12.176 18.774 1.00 15.28 N ATOM 176 CA ALA A 11 12.703 13.080 17.975 1.00 18.95 C ATOM 177 C ALA A 11 14.057 12.413 17.727 1.00 20.75 C ATOM 178 O ALA A 11 14.992 13.037 17.266 1.00 24.78 O ATOM 179 CB ALA A 11 12.912 14.388 18.737 1.00 17.72 C ATOM 0 H ALA A 11 12.003 12.173 19.779 1.00 15.28 H new ATOM 0 HA ALA A 11 12.226 13.285 17.016 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.553 15.050 18.155 1.00 17.72 H new ATOM 0 HB2 ALA A 11 11.949 14.870 18.904 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.384 14.178 19.697 1.00 17.72 H new ATOM 185 N GLN A 12 14.170 11.150 18.027 1.00 22.50 N ATOM 186 CA GLN A 12 15.462 10.445 17.807 1.00 25.43 C ATOM 187 C GLN A 12 15.201 9.064 17.211 1.00 22.80 C ATOM 188 O GLN A 12 14.316 8.349 17.640 1.00 20.93 O ATOM 189 CB GLN A 12 16.188 10.293 19.139 1.00 30.18 C ATOM 190 CG GLN A 12 17.076 11.513 19.354 1.00 42.11 C ATOM 191 CD GLN A 12 17.863 11.354 20.656 1.00 46.61 C ATOM 192 OE1 GLN A 12 19.071 11.228 20.637 1.00 46.27 O ATOM 193 NE2 GLN A 12 17.225 11.356 21.794 1.00 47.90 N ATOM 0 H GLN A 12 13.422 10.575 18.415 1.00 22.50 H new ATOM 0 HA GLN A 12 16.077 11.024 17.118 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.469 10.201 19.953 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.789 9.384 19.140 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.762 11.628 18.515 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.467 12.416 19.394 1.00 42.11 H new ATOM 0 HE21 GLN A 12 16.211 11.462 21.810 1.00 47.90 H new ATOM 0 HE22 GLN A 12 17.741 11.252 22.668 1.00 47.90 H new ATOM 202 N PHE A 13 15.962 8.679 16.224 1.00 21.61 N ATOM 203 CA PHE A 13 15.753 7.349 15.608 1.00 20.51 C ATOM 204 C PHE A 13 16.530 6.296 16.391 1.00 18.83 C ATOM 205 O PHE A 13 17.393 6.609 17.188 1.00 18.83 O ATOM 206 CB PHE A 13 16.264 7.378 14.174 1.00 19.56 C ATOM 207 CG PHE A 13 17.679 7.905 14.182 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.745 7.045 14.464 1.00 20.50 C ATOM 209 CD2 PHE A 13 17.923 9.259 13.917 1.00 15.55 C ATOM 210 CE1 PHE A 13 20.055 7.537 14.479 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.231 9.750 13.932 1.00 14.07 C ATOM 212 CZ PHE A 13 20.297 8.890 14.213 1.00 18.48 C ATOM 0 H PHE A 13 16.719 9.232 15.821 1.00 21.61 H new ATOM 0 HA PHE A 13 14.691 7.105 15.621 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.234 6.378 13.741 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.627 8.012 13.557 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.557 6.002 14.670 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.100 9.924 13.701 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.879 6.873 14.696 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.419 10.794 13.727 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.308 9.270 14.225 1.00 18.48 H new ATOM 222 N THR A 14 16.240 5.050 16.162 1.00 14.89 N ATOM 223 CA THR A 14 16.970 3.977 16.882 1.00 13.37 C ATOM 224 C THR A 14 17.398 2.902 15.885 1.00 11.97 C ATOM 225 O THR A 14 16.744 2.670 14.888 1.00 10.76 O ATOM 226 CB THR A 14 16.059 3.356 17.941 1.00 13.68 C ATOM 227 OG1 THR A 14 15.609 4.368 18.831 1.00 13.48 O ATOM 228 CG2 THR A 14 16.834 2.294 18.721 1.00 9.24 C ATOM 0 H THR A 14 15.528 4.728 15.506 1.00 14.89 H new ATOM 0 HA THR A 14 17.850 4.399 17.367 1.00 13.37 H new ATOM 0 HB THR A 14 15.200 2.893 17.456 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.024 3.971 19.509 1.00 13.48 H new ATOM 0 HG21 THR A 14 16.185 1.851 19.476 1.00 9.24 H new ATOM 0 HG22 THR A 14 17.177 1.518 18.037 1.00 9.24 H new ATOM 0 HG23 THR A 14 17.694 2.755 19.207 1.00 9.24 H new ATOM 236 N THR A 15 18.490 2.243 16.146 1.00 13.20 N ATOM 237 CA THR A 15 18.959 1.183 15.213 1.00 12.54 C ATOM 238 C THR A 15 18.073 -0.054 15.370 1.00 14.34 C ATOM 239 O THR A 15 18.065 -0.697 16.401 1.00 17.35 O ATOM 240 CB THR A 15 20.409 0.819 15.542 1.00 11.88 C ATOM 241 OG1 THR A 15 21.041 1.925 16.173 1.00 17.15 O ATOM 242 CG2 THR A 15 21.153 0.470 14.254 1.00 8.30 C ATOM 0 H THR A 15 19.079 2.392 16.965 1.00 13.20 H new ATOM 0 HA THR A 15 18.902 1.546 14.187 1.00 12.54 H new ATOM 0 HB THR A 15 20.426 -0.040 16.212 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.969 1.694 16.386 1.00 17.15 H new ATOM 0 HG21 THR A 15 22.185 0.211 14.489 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.667 -0.378 13.771 1.00 8.30 H new ATOM 0 HG23 THR A 15 21.138 1.328 13.581 1.00 8.30 H new ATOM 435 N LEU A 28 19.321 -0.180 9.991 1.00 18.57 N ATOM 436 CA LEU A 28 19.102 1.256 9.670 1.00 16.31 C ATOM 437 C LEU A 28 18.479 1.975 10.867 1.00 14.21 C ATOM 438 O LEU A 28 18.085 1.365 11.841 1.00 16.97 O ATOM 439 CB LEU A 28 18.175 1.368 8.461 1.00 16.48 C ATOM 440 CG LEU A 28 18.756 2.372 7.467 1.00 22.19 C ATOM 441 CD1 LEU A 28 19.362 1.622 6.279 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.644 3.301 6.972 1.00 22.01 C ATOM 0 HA LEU A 28 20.060 1.722 9.441 1.00 16.31 H new ATOM 0 HB2 LEU A 28 18.060 0.394 7.986 1.00 16.48 H new ATOM 0 HB3 LEU A 28 17.182 1.687 8.778 1.00 16.48 H new ATOM 0 HG LEU A 28 19.531 2.962 7.957 1.00 22.19 H new ATOM 0 HD11 LEU A 28 19.777 2.338 5.570 1.00 24.00 H new ATOM 0 HD12 LEU A 28 20.154 0.961 6.632 1.00 24.00 H new ATOM 0 HD13 LEU A 28 18.588 1.032 5.788 1.00 24.00 H new ATOM 0 HD21 LEU A 28 18.058 4.018 6.263 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.869 2.712 6.482 1.00 22.01 H new ATOM 0 HD23 LEU A 28 17.213 3.836 7.818 1.00 22.01 H new ATOM 454 N ASN A 29 18.392 3.274 10.794 1.00 11.64 N ATOM 455 CA ASN A 29 17.798 4.058 11.919 1.00 9.77 C ATOM 456 C ASN A 29 16.281 4.168 11.730 1.00 7.94 C ATOM 457 O ASN A 29 15.802 4.542 10.679 1.00 10.52 O ATOM 458 CB ASN A 29 18.402 5.475 11.987 1.00 14.73 C ATOM 459 CG ASN A 29 19.086 5.867 10.668 1.00 17.90 C ATOM 460 OD1 ASN A 29 18.873 5.256 9.641 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.901 6.886 10.656 1.00 12.89 N ATOM 0 H ASN A 29 18.708 3.831 10.000 1.00 11.64 H new ATOM 0 HA ASN A 29 18.022 3.537 12.850 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.616 6.195 12.217 1.00 14.73 H new ATOM 0 HB3 ASN A 29 19.126 5.523 12.800 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.355 7.165 9.787 1.00 12.89 H new ATOM 0 HD22 ASN A 29 20.084 7.403 11.516 1.00 12.89 H new ATOM 468 N GLU A 30 15.523 3.847 12.746 1.00 8.58 N ATOM 469 CA GLU A 30 14.036 3.936 12.634 1.00 13.16 C ATOM 470 C GLU A 30 13.518 5.009 13.597 1.00 12.26 C ATOM 471 O GLU A 30 14.204 5.411 14.514 1.00 10.58 O ATOM 472 CB GLU A 30 13.415 2.585 12.994 1.00 14.93 C ATOM 473 CG GLU A 30 13.304 1.722 11.736 1.00 27.13 C ATOM 474 CD GLU A 30 12.351 0.555 11.999 1.00 33.28 C ATOM 475 OE1 GLU A 30 11.238 0.809 12.427 1.00 38.01 O ATOM 476 OE2 GLU A 30 12.751 -0.574 11.767 1.00 40.03 O ATOM 0 H GLU A 30 15.870 3.526 13.650 1.00 8.58 H new ATOM 0 HA GLU A 30 13.762 4.200 11.612 1.00 13.16 H new ATOM 0 HB2 GLU A 30 14.026 2.080 13.742 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.429 2.732 13.435 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.940 2.322 10.902 1.00 27.13 H new ATOM 0 HG3 GLU A 30 14.287 1.346 11.453 1.00 27.13 H new ATOM 483 N GLN A 31 12.313 5.477 13.399 1.00 10.34 N ATOM 484 CA GLN A 31 11.762 6.526 14.309 1.00 9.46 C ATOM 485 C GLN A 31 10.242 6.373 14.420 1.00 10.09 C ATOM 486 O GLN A 31 9.661 5.436 13.910 1.00 9.36 O ATOM 487 CB GLN A 31 12.084 7.913 13.742 1.00 7.25 C ATOM 488 CG GLN A 31 12.761 8.769 14.815 1.00 10.62 C ATOM 489 CD GLN A 31 11.842 9.936 15.180 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.686 9.735 15.495 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.308 11.156 15.145 1.00 12.39 N ATOM 0 H GLN A 31 11.688 5.180 12.649 1.00 10.34 H new ATOM 0 HA GLN A 31 12.212 6.414 15.295 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.737 7.818 12.874 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.169 8.398 13.401 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.972 8.166 15.698 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.717 9.144 14.449 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.279 11.324 14.880 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.701 11.941 15.382 1.00 12.39 H new ATOM 500 N LEU A 32 9.595 7.298 15.079 1.00 6.80 N ATOM 501 CA LEU A 32 8.113 7.223 15.221 1.00 10.34 C ATOM 502 C LEU A 32 7.507 8.596 14.915 1.00 9.02 C ATOM 503 O LEU A 32 8.176 9.608 14.983 1.00 11.15 O ATOM 504 CB LEU A 32 7.752 6.814 16.651 1.00 10.20 C ATOM 505 CG LEU A 32 8.605 5.617 17.076 1.00 16.38 C ATOM 506 CD1 LEU A 32 8.224 5.201 18.498 1.00 17.42 C ATOM 507 CD2 LEU A 32 8.356 4.449 16.118 1.00 15.89 C ATOM 0 H LEU A 32 10.031 8.104 15.526 1.00 6.80 H new ATOM 0 HA LEU A 32 7.718 6.483 14.525 1.00 10.34 H new ATOM 0 HB2 LEU A 32 7.917 7.650 17.331 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.694 6.558 16.710 1.00 10.20 H new ATOM 0 HG LEU A 32 9.659 5.892 17.048 1.00 16.38 H new ATOM 0 HD11 LEU A 32 8.831 4.348 18.803 1.00 17.42 H new ATOM 0 HD12 LEU A 32 8.399 6.033 19.180 1.00 17.42 H new ATOM 0 HD13 LEU A 32 7.170 4.925 18.526 1.00 17.42 H new ATOM 0 HD21 LEU A 32 8.963 3.595 16.419 1.00 15.89 H new ATOM 0 HD22 LEU A 32 7.302 4.173 16.147 1.00 15.89 H new ATOM 0 HD23 LEU A 32 8.625 4.746 15.104 1.00 15.89 H new ATOM 519 N CYS A 33 6.244 8.640 14.585 1.00 9.68 N ATOM 520 CA CYS A 33 5.585 9.942 14.281 1.00 8.10 C ATOM 521 C CYS A 33 4.094 9.792 14.567 1.00 6.34 C ATOM 522 O CYS A 33 3.607 8.700 14.770 1.00 8.02 O ATOM 523 CB CYS A 33 5.783 10.317 12.805 1.00 8.88 C ATOM 524 SG CYS A 33 7.444 9.852 12.254 1.00 13.84 S ATOM 0 H CYS A 33 5.637 7.824 14.513 1.00 9.68 H new ATOM 0 HA CYS A 33 6.024 10.728 14.896 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.035 9.814 12.192 1.00 8.88 H new ATOM 0 HB3 CYS A 33 5.636 11.389 12.672 1.00 8.88 H new ATOM 0 HG CYS A 33 8.276 9.955 13.248 1.00 13.84 H new ATOM 530 N TYR A 34 3.361 10.866 14.590 1.00 7.35 N ATOM 531 CA TYR A 34 1.905 10.751 14.877 1.00 7.08 C ATOM 532 C TYR A 34 1.103 11.308 13.696 1.00 7.71 C ATOM 533 O TYR A 34 1.040 12.504 13.490 1.00 7.80 O ATOM 534 CB TYR A 34 1.585 11.556 16.128 1.00 8.67 C ATOM 535 CG TYR A 34 1.885 10.737 17.364 1.00 9.11 C ATOM 536 CD1 TYR A 34 0.928 9.845 17.867 1.00 13.61 C ATOM 537 CD2 TYR A 34 3.108 10.895 18.023 1.00 12.44 C ATOM 538 CE1 TYR A 34 1.194 9.116 19.025 1.00 17.22 C ATOM 539 CE2 TYR A 34 3.373 10.166 19.185 1.00 16.38 C ATOM 540 CZ TYR A 34 2.414 9.278 19.685 1.00 16.83 C ATOM 541 OH TYR A 34 2.676 8.558 20.833 1.00 21.14 O ATOM 0 H TYR A 34 3.702 11.813 14.424 1.00 7.35 H new ATOM 0 HA TYR A 34 1.641 9.704 15.030 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.172 12.474 16.139 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.535 11.849 16.123 1.00 8.67 H new ATOM 0 HD1 TYR A 34 -0.016 9.722 17.357 1.00 13.61 H new ATOM 0 HD2 TYR A 34 3.847 11.580 17.634 1.00 12.44 H new ATOM 0 HE1 TYR A 34 0.458 8.427 19.411 1.00 17.22 H new ATOM 0 HE2 TYR A 34 4.316 10.288 19.696 1.00 16.38 H new ATOM 0 HH TYR A 34 3.569 8.787 21.166 1.00 21.14 H new ATOM 551 N VAL A 35 0.501 10.458 12.910 1.00 9.44 N ATOM 552 CA VAL A 35 -0.276 10.954 11.736 1.00 10.66 C ATOM 553 C VAL A 35 -1.772 11.035 12.059 1.00 10.57 C ATOM 554 O VAL A 35 -2.335 10.165 12.693 1.00 8.31 O ATOM 555 CB VAL A 35 -0.067 10.005 10.556 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.761 10.575 9.316 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.432 9.862 10.283 1.00 9.86 C ATOM 0 H VAL A 35 0.513 9.445 13.028 1.00 9.44 H new ATOM 0 HA VAL A 35 0.078 11.954 11.486 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.490 9.028 10.791 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.613 9.900 8.473 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.828 10.681 9.513 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.337 11.550 9.078 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.586 9.186 9.442 1.00 9.86 H new ATOM 0 HG22 VAL A 35 1.853 10.839 10.045 1.00 9.86 H new ATOM 0 HG23 VAL A 35 1.926 9.459 11.167 1.00 9.86 H new ATOM 567 N ASP A 36 -2.421 12.074 11.602 1.00 8.58 N ATOM 568 CA ASP A 36 -3.874 12.229 11.843 1.00 11.48 C ATOM 569 C ASP A 36 -4.595 12.165 10.494 1.00 12.38 C ATOM 570 O ASP A 36 -4.232 11.388 9.635 1.00 11.89 O ATOM 571 CB ASP A 36 -4.144 13.577 12.510 1.00 16.17 C ATOM 572 CG ASP A 36 -3.354 13.670 13.816 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.158 13.896 13.748 1.00 15.67 O ATOM 574 OD2 ASP A 36 -3.961 13.515 14.864 1.00 25.89 O ATOM 0 H ASP A 36 -1.994 12.829 11.065 1.00 8.58 H new ATOM 0 HA ASP A 36 -4.234 11.436 12.498 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -3.858 14.389 11.841 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -5.210 13.689 12.709 1.00 16.17 H new ATOM 579 N LEU A 37 -5.603 12.976 10.286 1.00 13.17 N ATOM 580 CA LEU A 37 -6.313 12.941 8.977 1.00 18.47 C ATOM 581 C LEU A 37 -7.039 11.613 8.859 1.00 21.14 C ATOM 582 O LEU A 37 -8.251 11.541 8.912 1.00 24.24 O ATOM 583 CB LEU A 37 -5.295 13.063 7.848 1.00 15.81 C ATOM 584 CG LEU A 37 -4.177 14.011 8.273 1.00 20.59 C ATOM 585 CD1 LEU A 37 -2.831 13.289 8.162 1.00 14.72 C ATOM 586 CD2 LEU A 37 -4.182 15.236 7.355 1.00 20.01 C ATOM 0 H LEU A 37 -5.960 13.653 10.960 1.00 13.17 H new ATOM 0 HA LEU A 37 -7.024 13.765 8.912 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -4.884 12.083 7.607 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -5.779 13.436 6.946 1.00 15.81 H new ATOM 0 HG LEU A 37 -4.332 14.328 9.304 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -2.030 13.964 8.465 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -2.833 12.414 8.811 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -2.670 12.975 7.131 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -3.385 15.918 7.653 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -4.021 14.919 6.325 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -5.143 15.745 7.433 1.00 20.01 H new ATOM 598 N GLY A 38 -6.297 10.557 8.737 1.00 20.70 N ATOM 599 CA GLY A 38 -6.922 9.220 8.657 1.00 23.91 C ATOM 600 C GLY A 38 -7.312 8.798 10.073 1.00 26.50 C ATOM 601 O GLY A 38 -7.877 7.744 10.288 1.00 31.02 O ATOM 0 H GLY A 38 -5.278 10.564 8.689 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.800 9.247 8.012 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -6.229 8.500 8.222 1.00 23.91 H new ATOM 605 N ASN A 39 -7.014 9.628 11.046 1.00 27.64 N ATOM 606 CA ASN A 39 -7.364 9.295 12.451 1.00 30.27 C ATOM 607 C ASN A 39 -7.371 10.582 13.280 1.00 26.79 C ATOM 608 O ASN A 39 -6.341 11.177 13.524 1.00 26.87 O ATOM 609 CB ASN A 39 -6.340 8.315 13.042 1.00 35.62 C ATOM 610 CG ASN A 39 -5.637 7.545 11.920 1.00 41.31 C ATOM 611 OD1 ASN A 39 -6.036 6.450 11.577 1.00 43.23 O ATOM 612 ND2 ASN A 39 -4.601 8.075 11.330 1.00 39.63 N ATOM 0 H ASN A 39 -6.542 10.523 10.920 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.348 8.827 12.472 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -5.605 8.859 13.635 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -6.839 7.617 13.714 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -4.127 7.570 10.581 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -4.265 8.994 11.617 1.00 39.63 H new ATOM 619 N GLU A 40 -8.531 11.015 13.702 1.00 25.15 N ATOM 620 CA GLU A 40 -8.634 12.265 14.510 1.00 23.81 C ATOM 621 C GLU A 40 -7.451 12.361 15.466 1.00 21.12 C ATOM 622 O GLU A 40 -6.629 13.250 15.375 1.00 19.86 O ATOM 623 CB GLU A 40 -9.939 12.250 15.311 1.00 27.22 C ATOM 624 CG GLU A 40 -11.103 12.646 14.400 1.00 34.87 C ATOM 625 CD GLU A 40 -11.743 13.935 14.920 1.00 38.97 C ATOM 626 OE1 GLU A 40 -11.004 14.834 15.284 1.00 42.34 O ATOM 627 OE2 GLU A 40 -12.961 14.000 14.945 1.00 39.54 O ATOM 0 H GLU A 40 -9.420 10.550 13.519 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.626 13.126 13.842 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.111 11.257 15.727 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -9.870 12.941 16.151 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.747 12.790 13.380 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.843 11.846 14.370 1.00 34.87 H new ATOM 634 N HIS A 41 -7.355 11.439 16.367 1.00 5.33 N ATOM 635 CA HIS A 41 -6.217 11.449 17.326 1.00 4.91 C ATOM 636 C HIS A 41 -4.941 11.123 16.551 1.00 4.10 C ATOM 637 O HIS A 41 -5.011 10.637 15.439 1.00 3.31 O ATOM 638 CB HIS A 41 -6.450 10.394 18.410 1.00 5.24 C ATOM 639 CG HIS A 41 -7.361 10.953 19.469 1.00 5.47 C ATOM 640 ND1 HIS A 41 -8.740 10.943 19.337 1.00 5.85 N ATOM 641 CD2 HIS A 41 -7.105 11.539 20.683 1.00 6.53 C ATOM 642 CE1 HIS A 41 -9.257 11.507 20.443 1.00 7.30 C ATOM 643 NE2 HIS A 41 -8.304 11.888 21.297 1.00 8.02 N ATOM 0 H HIS A 41 -8.016 10.672 16.487 1.00 5.33 H new ATOM 0 HA HIS A 41 -6.129 12.426 17.802 1.00 4.91 H new ATOM 0 HB2 HIS A 41 -6.891 9.499 17.972 1.00 5.24 H new ATOM 0 HB3 HIS A 41 -5.500 10.097 18.853 1.00 5.24 H new ATOM 0 HD2 HIS A 41 -6.122 11.704 21.099 1.00 6.53 H new ATOM 0 HE1 HIS A 41 -10.315 11.636 20.619 1.00 7.30 H new ATOM 0 HE2 HIS A 41 -8.428 12.338 22.204 1.00 8.02 H new ATOM 651 N PRO A 42 -3.812 11.399 17.144 1.00 15.11 N ATOM 652 CA PRO A 42 -2.518 11.138 16.500 1.00 16.08 C ATOM 653 C PRO A 42 -2.202 9.645 16.563 1.00 17.92 C ATOM 654 O PRO A 42 -2.474 8.983 17.545 1.00 17.13 O ATOM 655 CB PRO A 42 -1.529 11.944 17.338 1.00 16.41 C ATOM 656 CG PRO A 42 -2.189 12.141 18.716 1.00 13.79 C ATOM 657 CD PRO A 42 -3.710 11.986 18.496 1.00 16.28 C ATOM 0 HA PRO A 42 -2.491 11.416 15.446 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.580 11.416 17.433 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.314 12.904 16.869 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.823 11.404 19.431 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.953 13.124 19.123 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.159 11.338 19.249 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.223 12.946 18.555 1.00 16.28 H new ATOM 665 N VAL A 43 -1.633 9.110 15.524 1.00 16.29 N ATOM 666 CA VAL A 43 -1.306 7.661 15.527 1.00 14.28 C ATOM 667 C VAL A 43 0.207 7.482 15.505 1.00 9.00 C ATOM 668 O VAL A 43 0.874 7.850 14.559 1.00 7.99 O ATOM 669 CB VAL A 43 -1.915 6.995 14.295 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.430 7.212 14.286 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.304 7.606 13.031 1.00 20.57 C ATOM 0 H VAL A 43 -1.380 9.612 14.673 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.715 7.200 16.426 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.705 5.926 14.322 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.861 6.735 13.405 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.865 6.775 15.185 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.644 8.280 14.262 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.738 7.131 12.151 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.513 8.676 13.006 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.226 7.447 13.034 1.00 20.57 H new ATOM 681 N LEU A 44 0.755 6.916 16.541 1.00 10.19 N ATOM 682 CA LEU A 44 2.222 6.715 16.586 1.00 11.55 C ATOM 683 C LEU A 44 2.615 5.572 15.653 1.00 10.61 C ATOM 684 O LEU A 44 2.438 4.411 15.962 1.00 13.49 O ATOM 685 CB LEU A 44 2.646 6.377 18.009 1.00 10.60 C ATOM 686 CG LEU A 44 4.162 6.242 18.063 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.802 7.563 17.627 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.590 5.913 19.494 1.00 20.21 C ATOM 0 H LEU A 44 0.246 6.584 17.360 1.00 10.19 H new ATOM 0 HA LEU A 44 2.720 7.630 16.265 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.314 7.157 18.695 1.00 10.60 H new ATOM 0 HB3 LEU A 44 2.175 5.448 18.330 1.00 10.60 H new ATOM 0 HG LEU A 44 4.485 5.443 17.395 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.887 7.471 17.664 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.492 7.799 16.609 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.482 8.361 18.297 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.675 5.816 19.536 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.271 6.713 20.162 1.00 20.21 H new ATOM 0 HD23 LEU A 44 4.129 4.975 19.805 1.00 20.21 H new ATOM 700 N VAL A 45 3.151 5.898 14.514 1.00 10.81 N ATOM 701 CA VAL A 45 3.566 4.845 13.553 1.00 9.29 C ATOM 702 C VAL A 45 5.087 4.759 13.531 1.00 9.95 C ATOM 703 O VAL A 45 5.773 5.532 14.170 1.00 9.36 O ATOM 704 CB VAL A 45 3.043 5.200 12.157 1.00 4.64 C ATOM 705 CG1 VAL A 45 1.663 5.847 12.284 1.00 7.95 C ATOM 706 CG2 VAL A 45 4.001 6.182 11.461 1.00 10.20 C ATOM 0 H VAL A 45 3.320 6.855 14.206 1.00 10.81 H new ATOM 0 HA VAL A 45 3.155 3.882 13.856 1.00 9.29 H new ATOM 0 HB VAL A 45 2.975 4.289 11.562 1.00 4.64 H new ATOM 0 HG11 VAL A 45 1.288 6.101 11.293 1.00 7.95 H new ATOM 0 HG12 VAL A 45 0.977 5.149 12.764 1.00 7.95 H new ATOM 0 HG13 VAL A 45 1.740 6.752 12.886 1.00 7.95 H new ATOM 0 HG21 VAL A 45 3.617 6.425 10.470 1.00 10.20 H new ATOM 0 HG22 VAL A 45 4.081 7.094 12.053 1.00 10.20 H new ATOM 0 HG23 VAL A 45 4.986 5.724 11.366 1.00 10.20 H new ATOM 716 N LYS A 46 5.620 3.832 12.797 1.00 10.76 N ATOM 717 CA LYS A 46 7.096 3.713 12.737 1.00 12.81 C ATOM 718 C LYS A 46 7.609 4.362 11.452 1.00 13.35 C ATOM 719 O LYS A 46 7.016 4.239 10.399 1.00 12.90 O ATOM 720 CB LYS A 46 7.503 2.238 12.771 1.00 17.04 C ATOM 721 CG LYS A 46 6.906 1.572 14.012 1.00 26.60 C ATOM 722 CD LYS A 46 7.993 1.406 15.077 1.00 33.77 C ATOM 723 CE LYS A 46 8.469 -0.047 15.099 1.00 34.48 C ATOM 724 NZ LYS A 46 7.384 -0.917 15.637 1.00 36.74 N ATOM 0 H LYS A 46 5.101 3.154 12.238 1.00 10.76 H new ATOM 0 HA LYS A 46 7.532 4.220 13.598 1.00 12.81 H new ATOM 0 HB2 LYS A 46 7.154 1.733 11.871 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.589 2.150 12.785 1.00 17.04 H new ATOM 0 HG2 LYS A 46 6.088 2.176 14.404 1.00 26.60 H new ATOM 0 HG3 LYS A 46 6.487 0.600 13.750 1.00 26.60 H new ATOM 0 HD2 LYS A 46 8.830 2.071 14.864 1.00 33.77 H new ATOM 0 HD3 LYS A 46 7.604 1.687 16.056 1.00 33.77 H new ATOM 0 HE2 LYS A 46 8.741 -0.367 14.093 1.00 34.48 H new ATOM 0 HE3 LYS A 46 9.363 -0.139 15.716 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 7.804 -1.736 16.121 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 6.807 -0.375 16.311 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 6.784 -1.247 14.855 1.00 36.74 H new ATOM 738 N ILE A 47 8.707 5.059 11.536 1.00 13.96 N ATOM 739 CA ILE A 47 9.264 5.727 10.332 1.00 16.93 C ATOM 740 C ILE A 47 10.709 5.261 10.118 1.00 16.52 C ATOM 741 O ILE A 47 11.288 4.604 10.959 1.00 17.67 O ATOM 742 CB ILE A 47 9.218 7.247 10.543 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.204 7.958 9.194 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.439 7.707 11.338 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.966 8.845 9.110 1.00 18.26 C ATOM 0 H ILE A 47 9.244 5.194 12.393 1.00 13.96 H new ATOM 0 HA ILE A 47 8.678 5.469 9.450 1.00 16.93 H new ATOM 0 HB ILE A 47 8.312 7.493 11.097 1.00 19.74 H new ATOM 0 HG12 ILE A 47 10.106 8.559 9.076 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.199 7.228 8.384 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.395 8.787 11.481 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.448 7.213 12.309 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.347 7.450 10.792 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.950 9.357 8.148 1.00 18.26 H new ATOM 0 HD12 ILE A 47 7.071 8.231 9.210 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.992 9.582 9.912 1.00 18.26 H new ATOM 757 N THR A 48 11.295 5.598 9.004 1.00 16.86 N ATOM 758 CA THR A 48 12.699 5.175 8.749 1.00 16.59 C ATOM 759 C THR A 48 13.612 6.402 8.761 1.00 19.04 C ATOM 760 O THR A 48 13.251 7.463 8.292 1.00 22.56 O ATOM 761 CB THR A 48 12.784 4.490 7.385 1.00 16.30 C ATOM 762 OG1 THR A 48 11.506 3.984 7.029 1.00 17.90 O ATOM 763 CG2 THR A 48 13.789 3.342 7.455 1.00 16.02 C ATOM 0 H THR A 48 10.863 6.147 8.260 1.00 16.86 H new ATOM 0 HA THR A 48 13.016 4.479 9.526 1.00 16.59 H new ATOM 0 HB THR A 48 13.109 5.211 6.634 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.608 3.106 6.605 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.851 2.853 6.483 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.769 3.733 7.727 1.00 16.02 H new ATOM 0 HG23 THR A 48 13.465 2.620 8.205 1.00 16.02 H new ATOM 771 N LEU A 49 14.797 6.262 9.289 1.00 18.35 N ATOM 772 CA LEU A 49 15.737 7.414 9.327 1.00 18.82 C ATOM 773 C LEU A 49 16.889 7.140 8.358 1.00 20.06 C ATOM 774 O LEU A 49 17.278 6.009 8.148 1.00 18.35 O ATOM 775 CB LEU A 49 16.279 7.587 10.754 1.00 18.79 C ATOM 776 CG LEU A 49 16.097 9.032 11.207 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.056 9.938 10.428 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.654 9.475 10.952 1.00 14.50 C ATOM 0 H LEU A 49 15.154 5.397 9.696 1.00 18.35 H new ATOM 0 HA LEU A 49 15.222 8.329 9.033 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.757 6.915 11.435 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.334 7.317 10.787 1.00 18.79 H new ATOM 0 HG LEU A 49 16.313 9.105 12.273 1.00 18.24 H new ATOM 0 HD11 LEU A 49 16.925 10.970 10.752 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.084 9.626 10.615 1.00 20.41 H new ATOM 0 HD13 LEU A 49 16.842 9.863 9.362 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.528 10.508 11.277 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.433 9.400 9.887 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.972 8.833 11.510 1.00 14.50 H new ATOM 790 N ASP A 50 17.427 8.162 7.754 1.00 22.62 N ATOM 791 CA ASP A 50 18.544 7.952 6.787 1.00 27.04 C ATOM 792 C ASP A 50 19.877 7.893 7.538 1.00 27.73 C ATOM 793 O ASP A 50 20.075 8.571 8.528 1.00 26.65 O ATOM 794 CB ASP A 50 18.572 9.108 5.785 1.00 29.11 C ATOM 795 CG ASP A 50 17.853 8.687 4.502 1.00 30.37 C ATOM 796 OD1 ASP A 50 18.328 7.769 3.854 1.00 30.76 O ATOM 797 OD2 ASP A 50 16.839 9.289 4.190 1.00 33.99 O ATOM 0 H ASP A 50 17.143 9.133 7.887 1.00 22.62 H new ATOM 0 HA ASP A 50 18.390 7.012 6.257 1.00 27.04 H new ATOM 0 HB2 ASP A 50 18.090 9.987 6.213 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.602 9.386 5.563 1.00 29.11 H new ATOM 802 N GLU A 51 20.792 7.086 7.073 1.00 31.16 N ATOM 803 CA GLU A 51 22.113 6.979 7.755 1.00 34.22 C ATOM 804 C GLU A 51 22.736 8.370 7.889 1.00 34.98 C ATOM 805 O GLU A 51 22.987 9.046 6.911 1.00 34.19 O ATOM 806 CB GLU A 51 23.040 6.085 6.927 1.00 38.24 C ATOM 807 CG GLU A 51 23.720 5.066 7.842 1.00 46.84 C ATOM 808 CD GLU A 51 24.001 3.783 7.057 1.00 51.38 C ATOM 809 OE1 GLU A 51 23.843 3.806 5.848 1.00 54.92 O ATOM 810 OE2 GLU A 51 24.371 2.801 7.679 1.00 53.83 O ATOM 0 H GLU A 51 20.681 6.495 6.249 1.00 31.16 H new ATOM 0 HA GLU A 51 21.975 6.547 8.746 1.00 34.22 H new ATOM 0 HB2 GLU A 51 22.470 5.571 6.153 1.00 38.24 H new ATOM 0 HB3 GLU A 51 23.790 6.692 6.420 1.00 38.24 H new ATOM 0 HG2 GLU A 51 24.651 5.477 8.233 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.082 4.848 8.699 1.00 46.84 H new ATOM 817 N GLY A 52 22.989 8.803 9.094 1.00 34.53 N ATOM 818 CA GLY A 52 23.597 10.149 9.290 1.00 34.93 C ATOM 819 C GLY A 52 22.497 11.212 9.319 1.00 36.10 C ATOM 820 O GLY A 52 22.713 12.331 9.741 1.00 35.97 O ATOM 0 H GLY A 52 22.801 8.283 9.951 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.162 10.171 10.222 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.301 10.362 8.485 1.00 34.93 H new ATOM 824 N GLN A 53 21.318 10.873 8.875 1.00 36.52 N ATOM 825 CA GLN A 53 20.207 11.865 8.880 1.00 35.40 C ATOM 826 C GLN A 53 19.694 12.045 10.312 1.00 31.02 C ATOM 827 O GLN A 53 19.672 11.106 11.082 1.00 29.05 O ATOM 828 CB GLN A 53 19.071 11.359 7.990 1.00 41.20 C ATOM 829 CG GLN A 53 18.865 12.326 6.822 1.00 47.61 C ATOM 830 CD GLN A 53 17.387 12.714 6.735 1.00 53.32 C ATOM 831 OE1 GLN A 53 16.690 12.724 7.730 1.00 53.91 O ATOM 832 NE2 GLN A 53 16.877 13.038 5.578 1.00 54.76 N ATOM 0 H GLN A 53 21.076 9.952 8.509 1.00 36.52 H new ATOM 0 HA GLN A 53 20.568 12.821 8.500 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.306 10.363 7.614 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.152 11.272 8.570 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.478 13.216 6.961 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.185 11.861 5.890 1.00 47.61 H new ATOM 0 HE21 GLN A 53 17.462 13.030 4.742 1.00 54.76 H new ATOM 0 HE22 GLN A 53 15.893 13.300 5.509 1.00 54.76 H new ATOM 841 N PRO A 54 19.296 13.252 10.626 1.00 27.43 N ATOM 842 CA PRO A 54 18.777 13.594 11.961 1.00 23.44 C ATOM 843 C PRO A 54 17.330 13.117 12.119 1.00 20.14 C ATOM 844 O PRO A 54 16.458 13.494 11.361 1.00 21.64 O ATOM 845 CB PRO A 54 18.858 15.119 11.999 1.00 24.39 C ATOM 846 CG PRO A 54 18.875 15.589 10.530 1.00 27.18 C ATOM 847 CD PRO A 54 19.327 14.386 9.682 1.00 28.37 C ATOM 0 HA PRO A 54 19.336 13.122 12.769 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.006 15.540 12.532 1.00 24.39 H new ATOM 0 HB3 PRO A 54 19.756 15.448 12.523 1.00 24.39 H new ATOM 0 HG2 PRO A 54 17.886 15.929 10.222 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.556 16.430 10.401 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.659 14.220 8.837 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.326 14.538 9.274 1.00 28.37 H new ATOM 855 N ALA A 55 17.073 12.290 13.099 1.00 17.21 N ATOM 856 CA ALA A 55 15.691 11.780 13.321 1.00 15.58 C ATOM 857 C ALA A 55 14.667 12.889 13.071 1.00 16.41 C ATOM 858 O ALA A 55 14.934 14.055 13.281 1.00 13.65 O ATOM 859 CB ALA A 55 15.568 11.303 14.764 1.00 13.98 C ATOM 0 H ALA A 55 17.769 11.944 13.760 1.00 17.21 H new ATOM 0 HA ALA A 55 15.498 10.959 12.631 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.560 10.927 14.938 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.289 10.506 14.946 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.767 12.134 15.440 1.00 13.98 H new ATOM 865 N TYR A 56 13.491 12.529 12.632 1.00 15.93 N ATOM 866 CA TYR A 56 12.445 13.557 12.378 1.00 14.61 C ATOM 867 C TYR A 56 12.393 14.512 13.573 1.00 15.51 C ATOM 868 O TYR A 56 11.909 14.173 14.633 1.00 17.19 O ATOM 869 CB TYR A 56 11.090 12.865 12.181 1.00 12.92 C ATOM 870 CG TYR A 56 11.159 12.013 10.929 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.697 10.722 10.994 1.00 12.42 C ATOM 872 CD2 TYR A 56 10.714 12.524 9.706 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.785 9.943 9.835 1.00 11.47 C ATOM 874 CE2 TYR A 56 10.805 11.746 8.547 1.00 7.90 C ATOM 875 CZ TYR A 56 11.339 10.456 8.611 1.00 10.29 C ATOM 876 OH TYR A 56 11.428 9.690 7.467 1.00 12.03 O ATOM 0 H TYR A 56 13.211 11.567 12.439 1.00 15.93 H new ATOM 0 HA TYR A 56 12.680 14.124 11.477 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.852 12.247 13.047 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.296 13.607 12.091 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.044 10.328 11.938 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.300 13.520 9.656 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.197 8.946 9.885 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.463 12.142 7.603 1.00 7.90 H new ATOM 0 HH TYR A 56 12.026 8.930 7.628 1.00 12.03 H new ATOM 886 N ALA A 57 12.912 15.700 13.411 1.00 13.38 N ATOM 887 CA ALA A 57 12.918 16.681 14.535 1.00 14.95 C ATOM 888 C ALA A 57 11.484 16.957 14.998 1.00 15.46 C ATOM 889 O ALA A 57 10.540 16.452 14.422 1.00 17.82 O ATOM 890 CB ALA A 57 13.561 17.986 14.060 1.00 14.98 C ATOM 0 H ALA A 57 13.334 16.034 12.545 1.00 13.38 H new ATOM 0 HA ALA A 57 13.487 16.270 15.369 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.568 18.707 14.878 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.584 17.792 13.739 1.00 14.98 H new ATOM 0 HB3 ALA A 57 12.989 18.390 13.225 1.00 14.98 H new ATOM 896 N PRO A 58 11.368 17.757 16.030 1.00 15.20 N ATOM 897 CA PRO A 58 10.065 18.130 16.606 1.00 16.55 C ATOM 898 C PRO A 58 9.387 19.196 15.742 1.00 16.75 C ATOM 899 O PRO A 58 9.822 20.329 15.682 1.00 17.28 O ATOM 900 CB PRO A 58 10.426 18.688 17.985 1.00 15.65 C ATOM 901 CG PRO A 58 11.908 19.125 17.905 1.00 14.16 C ATOM 902 CD PRO A 58 12.528 18.365 16.718 1.00 13.96 C ATOM 0 HA PRO A 58 9.365 17.296 16.663 1.00 16.55 H new ATOM 0 HB2 PRO A 58 9.786 19.532 18.242 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.285 17.933 18.759 1.00 15.65 H new ATOM 0 HG2 PRO A 58 11.987 20.202 17.759 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.432 18.890 18.832 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.075 19.037 16.057 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.233 17.606 17.056 1.00 13.96 H new ATOM 910 N GLY A 59 8.327 18.840 15.070 1.00 17.22 N ATOM 911 CA GLY A 59 7.626 19.831 14.208 1.00 15.08 C ATOM 912 C GLY A 59 6.523 19.130 13.415 1.00 14.96 C ATOM 913 O GLY A 59 6.617 17.960 13.119 1.00 13.79 O ATOM 0 H GLY A 59 7.917 17.906 15.081 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.199 20.624 14.822 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.335 20.302 13.527 1.00 15.08 H new ATOM 917 N LEU A 60 5.481 19.831 13.059 1.00 15.83 N ATOM 918 CA LEU A 60 4.391 19.184 12.274 1.00 14.53 C ATOM 919 C LEU A 60 5.011 18.434 11.098 1.00 14.15 C ATOM 920 O LEU A 60 6.053 18.811 10.598 1.00 13.27 O ATOM 921 CB LEU A 60 3.435 20.256 11.750 1.00 15.84 C ATOM 922 CG LEU A 60 2.226 20.354 12.678 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.639 21.039 13.984 1.00 19.57 C ATOM 924 CD2 LEU A 60 1.126 21.172 11.998 1.00 15.01 C ATOM 0 H LEU A 60 5.337 20.817 13.276 1.00 15.83 H new ATOM 0 HA LEU A 60 3.839 18.489 12.907 1.00 14.53 H new ATOM 0 HB2 LEU A 60 3.944 21.218 11.695 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.112 20.008 10.739 1.00 15.84 H new ATOM 0 HG LEU A 60 1.853 19.353 12.895 1.00 16.91 H new ATOM 0 HD11 LEU A 60 1.776 21.109 14.647 1.00 19.57 H new ATOM 0 HD12 LEU A 60 3.422 20.456 14.469 1.00 19.57 H new ATOM 0 HD13 LEU A 60 3.013 22.040 13.768 1.00 19.57 H new ATOM 0 HD21 LEU A 60 0.263 21.242 12.660 1.00 15.01 H new ATOM 0 HD22 LEU A 60 1.499 22.173 11.780 1.00 15.01 H new ATOM 0 HD23 LEU A 60 0.832 20.684 11.069 1.00 15.01 H new ATOM 936 N TYR A 61 4.401 17.370 10.649 1.00 11.12 N ATOM 937 CA TYR A 61 4.998 16.622 9.515 1.00 9.57 C ATOM 938 C TYR A 61 3.992 16.393 8.409 1.00 11.76 C ATOM 939 O TYR A 61 2.796 16.498 8.589 1.00 11.26 O ATOM 940 CB TYR A 61 5.524 15.275 9.999 1.00 9.42 C ATOM 941 CG TYR A 61 6.928 15.485 10.487 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.153 15.865 11.810 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.000 15.336 9.603 1.00 10.26 C ATOM 944 CE1 TYR A 61 8.455 16.095 12.256 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.303 15.570 10.046 1.00 13.99 C ATOM 946 CZ TYR A 61 9.529 15.949 11.372 1.00 11.06 C ATOM 947 OH TYR A 61 10.816 16.180 11.815 1.00 14.61 O ATOM 0 H TYR A 61 3.527 16.993 11.015 1.00 11.12 H new ATOM 0 HA TYR A 61 5.816 17.223 9.118 1.00 9.57 H new ATOM 0 HB2 TYR A 61 4.895 14.883 10.799 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.505 14.544 9.191 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.321 15.981 12.488 1.00 10.68 H new ATOM 0 HD2 TYR A 61 7.821 15.041 8.580 1.00 10.26 H new ATOM 0 HE1 TYR A 61 8.633 16.385 13.281 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.134 15.458 9.366 1.00 13.99 H new ATOM 0 HH TYR A 61 10.787 16.658 12.670 1.00 14.61 H new ATOM 957 N THR A 62 4.498 16.048 7.271 1.00 12.22 N ATOM 958 CA THR A 62 3.642 15.758 6.108 1.00 14.26 C ATOM 959 C THR A 62 4.357 14.691 5.306 1.00 15.40 C ATOM 960 O THR A 62 5.469 14.879 4.855 1.00 16.24 O ATOM 961 CB THR A 62 3.460 17.010 5.264 1.00 15.07 C ATOM 962 OG1 THR A 62 4.711 17.391 4.706 1.00 18.36 O ATOM 963 CG2 THR A 62 2.924 18.134 6.148 1.00 11.61 C ATOM 0 H THR A 62 5.498 15.953 7.095 1.00 12.22 H new ATOM 0 HA THR A 62 2.653 15.424 6.421 1.00 14.26 H new ATOM 0 HB THR A 62 2.754 16.813 4.457 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.594 18.197 4.161 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.791 19.035 5.550 1.00 11.61 H new ATOM 0 HG22 THR A 62 1.966 17.836 6.574 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.632 18.334 6.952 1.00 11.61 H new ATOM 971 N VAL A 63 3.754 13.563 5.151 1.00 14.65 N ATOM 972 CA VAL A 63 4.440 12.484 4.405 1.00 15.17 C ATOM 973 C VAL A 63 4.881 13.023 3.052 1.00 14.24 C ATOM 974 O VAL A 63 4.516 14.112 2.654 1.00 19.13 O ATOM 975 CB VAL A 63 3.523 11.279 4.224 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.353 10.087 3.749 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.864 10.929 5.564 1.00 18.64 C ATOM 0 H VAL A 63 2.824 13.337 5.503 1.00 14.65 H new ATOM 0 HA VAL A 63 5.311 12.155 4.971 1.00 15.17 H new ATOM 0 HB VAL A 63 2.753 11.514 3.489 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.704 9.221 3.617 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.830 10.331 2.800 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.118 9.858 4.491 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.209 10.068 5.433 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.635 10.691 6.297 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.280 11.779 5.915 1.00 18.64 H new ATOM 987 N HIS A 64 5.672 12.278 2.349 1.00 13.31 N ATOM 988 CA HIS A 64 6.152 12.749 1.026 1.00 10.78 C ATOM 989 C HIS A 64 5.876 11.667 -0.020 1.00 14.19 C ATOM 990 O HIS A 64 6.347 10.546 0.092 1.00 11.59 O ATOM 991 CB HIS A 64 7.653 13.035 1.108 1.00 11.86 C ATOM 992 CG HIS A 64 8.027 14.068 0.083 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.394 14.149 -1.145 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.987 15.050 0.077 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.980 15.136 -1.841 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.958 15.722 -1.142 1.00 20.65 N ATOM 0 H HIS A 64 6.010 11.358 2.632 1.00 13.31 H new ATOM 0 HA HIS A 64 5.631 13.663 0.741 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.912 13.388 2.106 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.218 12.118 0.938 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.661 15.268 0.892 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.696 15.422 -2.843 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.554 16.495 -1.438 1.00 20.65 H new ATOM 1004 N LEU A 65 5.102 11.991 -1.024 1.00 12.93 N ATOM 1005 CA LEU A 65 4.765 10.995 -2.079 1.00 14.44 C ATOM 1006 C LEU A 65 6.028 10.603 -2.848 1.00 12.66 C ATOM 1007 O LEU A 65 6.017 9.685 -3.643 1.00 10.20 O ATOM 1008 CB LEU A 65 3.681 11.608 -2.997 1.00 14.94 C ATOM 1009 CG LEU A 65 4.132 11.740 -4.463 1.00 19.65 C ATOM 1010 CD1 LEU A 65 3.154 10.993 -5.367 1.00 15.75 C ATOM 1011 CD2 LEU A 65 4.157 13.221 -4.850 1.00 19.03 C ATOM 0 H LEU A 65 4.686 12.913 -1.157 1.00 12.93 H new ATOM 0 HA LEU A 65 4.368 10.080 -1.640 1.00 14.44 H new ATOM 0 HB2 LEU A 65 2.785 10.989 -2.954 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.407 12.593 -2.618 1.00 14.94 H new ATOM 0 HG LEU A 65 5.128 11.314 -4.580 1.00 19.65 H new ATOM 0 HD11 LEU A 65 3.474 11.087 -6.405 1.00 15.75 H new ATOM 0 HD12 LEU A 65 3.132 9.940 -5.088 1.00 15.75 H new ATOM 0 HD13 LEU A 65 2.157 11.419 -5.255 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.476 13.321 -5.888 1.00 19.03 H new ATOM 0 HD22 LEU A 65 3.159 13.644 -4.735 1.00 19.03 H new ATOM 0 HD23 LEU A 65 4.854 13.754 -4.204 1.00 19.03 H new ATOM 1023 N SER A 66 7.120 11.274 -2.612 1.00 13.51 N ATOM 1024 CA SER A 66 8.371 10.915 -3.327 1.00 10.39 C ATOM 1025 C SER A 66 8.617 9.415 -3.147 1.00 8.56 C ATOM 1026 O SER A 66 9.381 8.805 -3.868 1.00 11.70 O ATOM 1027 CB SER A 66 9.543 11.701 -2.736 1.00 12.88 C ATOM 1028 OG SER A 66 9.772 11.270 -1.401 1.00 14.72 O ATOM 0 H SER A 66 7.199 12.052 -1.957 1.00 13.51 H new ATOM 0 HA SER A 66 8.280 11.156 -4.386 1.00 10.39 H new ATOM 0 HB2 SER A 66 10.439 11.549 -3.338 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.325 12.769 -2.753 1.00 12.88 H new ATOM 0 HG SER A 66 10.523 11.771 -1.020 1.00 14.72 H new ATOM 1034 N SER A 67 7.975 8.823 -2.172 1.00 7.98 N ATOM 1035 CA SER A 67 8.165 7.369 -1.914 1.00 8.20 C ATOM 1036 C SER A 67 7.063 6.546 -2.596 1.00 11.02 C ATOM 1037 O SER A 67 7.097 5.331 -2.583 1.00 11.45 O ATOM 1038 CB SER A 67 8.117 7.116 -0.407 1.00 8.01 C ATOM 1039 OG SER A 67 8.823 8.150 0.266 1.00 11.22 O ATOM 0 H SER A 67 7.324 9.290 -1.541 1.00 7.98 H new ATOM 0 HA SER A 67 9.130 7.066 -2.319 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.083 7.084 -0.065 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.560 6.147 -0.175 1.00 8.01 H new ATOM 0 HG SER A 67 9.393 7.759 0.961 1.00 11.22 H new ATOM 1045 N PHE A 68 6.079 7.181 -3.178 1.00 10.09 N ATOM 1046 CA PHE A 68 4.983 6.403 -3.832 1.00 11.79 C ATOM 1047 C PHE A 68 5.366 6.061 -5.272 1.00 12.69 C ATOM 1048 O PHE A 68 6.277 6.629 -5.841 1.00 14.25 O ATOM 1049 CB PHE A 68 3.686 7.219 -3.844 1.00 10.08 C ATOM 1050 CG PHE A 68 3.421 7.817 -2.481 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.160 7.408 -1.361 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.438 8.801 -2.345 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.913 7.985 -0.112 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.193 9.380 -1.096 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.931 8.972 0.019 1.00 11.87 C ATOM 0 H PHE A 68 5.986 8.195 -3.229 1.00 10.09 H new ATOM 0 HA PHE A 68 4.831 5.485 -3.265 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.756 8.013 -4.588 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.852 6.581 -4.136 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.920 6.647 -1.464 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.867 9.115 -3.206 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.480 7.669 0.751 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.434 10.142 -0.993 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.742 9.420 0.983 1.00 11.87 H new ATOM 1065 N LYS A 69 4.661 5.136 -5.863 1.00 12.51 N ATOM 1066 CA LYS A 69 4.954 4.742 -7.268 1.00 15.38 C ATOM 1067 C LYS A 69 3.719 4.064 -7.859 1.00 15.02 C ATOM 1068 O LYS A 69 2.715 3.896 -7.196 1.00 15.36 O ATOM 1069 CB LYS A 69 6.133 3.768 -7.299 1.00 16.04 C ATOM 1070 CG LYS A 69 7.435 4.544 -7.507 1.00 20.35 C ATOM 1071 CD LYS A 69 8.437 4.168 -6.413 1.00 21.35 C ATOM 1072 CE LYS A 69 9.118 2.847 -6.775 1.00 30.24 C ATOM 1073 NZ LYS A 69 9.875 3.009 -8.048 1.00 32.70 N ATOM 0 H LYS A 69 3.888 4.633 -5.428 1.00 12.51 H new ATOM 0 HA LYS A 69 5.208 5.627 -7.851 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.178 3.206 -6.366 1.00 16.04 H new ATOM 0 HB3 LYS A 69 5.998 3.043 -8.102 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.852 4.319 -8.489 1.00 20.35 H new ATOM 0 HG3 LYS A 69 7.239 5.616 -7.482 1.00 20.35 H new ATOM 0 HD2 LYS A 69 9.183 4.955 -6.302 1.00 21.35 H new ATOM 0 HD3 LYS A 69 7.927 4.075 -5.454 1.00 21.35 H new ATOM 0 HE2 LYS A 69 9.793 2.542 -5.975 1.00 30.24 H new ATOM 0 HE3 LYS A 69 8.373 2.059 -6.881 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 10.724 2.409 -8.026 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 9.273 2.728 -8.848 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 10.157 4.004 -8.160 1.00 32.70 H new ATOM 1087 N VAL A 70 3.785 3.672 -9.097 1.00 13.65 N ATOM 1088 CA VAL A 70 2.610 3.003 -9.727 1.00 13.49 C ATOM 1089 C VAL A 70 3.000 1.587 -10.152 1.00 11.85 C ATOM 1090 O VAL A 70 3.828 1.393 -11.019 1.00 12.13 O ATOM 1091 CB VAL A 70 2.147 3.789 -10.954 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.621 3.721 -11.054 1.00 14.02 C ATOM 1093 CG2 VAL A 70 2.585 5.252 -10.837 1.00 15.63 C ATOM 0 H VAL A 70 4.599 3.784 -9.702 1.00 13.65 H new ATOM 0 HA VAL A 70 1.796 2.963 -9.003 1.00 13.49 H new ATOM 0 HB VAL A 70 2.595 3.354 -11.847 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.288 4.281 -11.928 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.309 2.681 -11.149 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.178 4.153 -10.157 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.250 5.803 -11.716 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.145 5.693 -9.943 1.00 15.63 H new ATOM 0 HG23 VAL A 70 3.672 5.302 -10.769 1.00 15.63 H new ATOM 1103 N GLY A 71 2.406 0.594 -9.548 1.00 11.15 N ATOM 1104 CA GLY A 71 2.740 -0.811 -9.917 1.00 11.07 C ATOM 1105 C GLY A 71 2.105 -1.148 -11.267 1.00 12.15 C ATOM 1106 O GLY A 71 1.634 -0.280 -11.974 1.00 12.70 O ATOM 0 H GLY A 71 1.704 0.695 -8.815 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.821 -0.937 -9.970 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.376 -1.496 -9.151 1.00 11.07 H new ATOM 1110 N GLN A 72 2.088 -2.401 -11.632 1.00 15.78 N ATOM 1111 CA GLN A 72 1.485 -2.787 -12.936 1.00 19.42 C ATOM 1112 C GLN A 72 -0.009 -3.049 -12.749 1.00 16.97 C ATOM 1113 O GLN A 72 -0.566 -3.968 -13.316 1.00 20.46 O ATOM 1114 CB GLN A 72 2.165 -4.052 -13.461 1.00 22.64 C ATOM 1115 CG GLN A 72 3.488 -3.679 -14.132 1.00 25.29 C ATOM 1116 CD GLN A 72 4.337 -2.855 -13.163 1.00 26.29 C ATOM 1117 OE1 GLN A 72 5.244 -3.372 -12.541 1.00 26.22 O ATOM 1118 NE2 GLN A 72 4.080 -1.585 -13.007 1.00 25.15 N ATOM 0 H GLN A 72 2.466 -3.173 -11.083 1.00 15.78 H new ATOM 0 HA GLN A 72 1.625 -1.978 -13.653 1.00 19.42 H new ATOM 0 HB2 GLN A 72 2.344 -4.748 -12.642 1.00 22.64 H new ATOM 0 HB3 GLN A 72 1.514 -4.559 -14.173 1.00 22.64 H new ATOM 0 HG2 GLN A 72 4.025 -4.580 -14.427 1.00 25.29 H new ATOM 0 HG3 GLN A 72 3.299 -3.109 -15.042 1.00 25.29 H new ATOM 0 HE21 GLN A 72 3.319 -1.151 -13.529 1.00 25.15 H new ATOM 0 HE22 GLN A 72 4.640 -1.027 -12.363 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.662 -2.245 -11.957 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.121 -2.443 -11.732 1.00 14.60 C ATOM 1129 C PHE A 73 -2.836 -1.094 -11.839 1.00 15.63 C ATOM 1130 O PHE A 73 -3.870 -0.879 -11.240 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.346 -3.035 -10.338 1.00 12.63 C ATOM 1132 CG PHE A 73 -1.509 -4.283 -10.181 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -0.133 -4.178 -9.946 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -2.110 -5.544 -10.273 1.00 19.79 C ATOM 1135 CE1 PHE A 73 0.642 -5.334 -9.801 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -1.334 -6.700 -10.128 1.00 18.68 C ATOM 1137 CZ PHE A 73 0.042 -6.595 -9.893 1.00 17.88 C ATOM 0 H PHE A 73 -0.248 -1.459 -11.456 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.519 -3.126 -12.482 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -2.078 -2.306 -9.574 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -3.401 -3.271 -10.197 1.00 12.63 H new ATOM 0 HD1 PHE A 73 0.330 -3.205 -9.877 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -3.171 -5.625 -10.456 1.00 19.79 H new ATOM 0 HE1 PHE A 73 1.703 -5.253 -9.618 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -1.797 -7.673 -10.197 1.00 18.68 H new ATOM 0 HZ PHE A 73 0.641 -7.487 -9.783 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.291 -0.184 -12.600 1.00 13.82 N ATOM 1148 CA GLY A 74 -2.937 1.151 -12.748 1.00 13.44 C ATOM 1149 C GLY A 74 -3.380 1.661 -11.376 1.00 10.42 C ATOM 1150 O GLY A 74 -4.503 2.089 -11.195 1.00 13.62 O ATOM 0 H GLY A 74 -1.426 -0.308 -13.126 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.240 1.855 -13.201 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.796 1.079 -13.415 1.00 13.44 H new ATOM 1154 N SER A 75 -2.508 1.618 -10.405 1.00 12.64 N ATOM 1155 CA SER A 75 -2.885 2.102 -9.047 1.00 12.47 C ATOM 1156 C SER A 75 -1.650 2.662 -8.339 1.00 12.47 C ATOM 1157 O SER A 75 -0.550 2.177 -8.510 1.00 11.32 O ATOM 1158 CB SER A 75 -3.454 0.940 -8.232 1.00 11.21 C ATOM 1159 OG SER A 75 -3.423 -0.244 -9.017 1.00 18.27 O ATOM 0 H SER A 75 -1.553 1.270 -10.493 1.00 12.64 H new ATOM 0 HA SER A 75 -3.636 2.886 -9.139 1.00 12.47 H new ATOM 0 HB2 SER A 75 -2.873 0.801 -7.321 1.00 11.21 H new ATOM 0 HB3 SER A 75 -4.477 1.161 -7.927 1.00 11.21 H new ATOM 0 HG SER A 75 -4.113 -0.194 -9.712 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.826 3.678 -7.540 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.666 4.267 -6.815 1.00 12.18 C ATOM 1167 C LEU A 76 -0.480 3.532 -5.486 1.00 12.07 C ATOM 1168 O LEU A 76 -1.427 3.049 -4.898 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.934 5.751 -6.549 1.00 11.99 C ATOM 1170 CG LEU A 76 0.370 6.446 -6.154 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.601 7.654 -7.065 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.276 6.914 -4.699 1.00 7.80 C ATOM 0 H LEU A 76 -2.724 4.126 -7.358 1.00 12.43 H new ATOM 0 HA LEU A 76 0.237 4.166 -7.417 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.353 6.220 -7.439 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.672 5.861 -5.754 1.00 11.99 H new ATOM 0 HG LEU A 76 1.201 5.748 -6.259 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.530 8.149 -6.784 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.666 7.321 -8.101 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.229 8.353 -6.960 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.204 7.410 -4.416 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.555 7.612 -4.594 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.111 6.054 -4.050 1.00 7.80 H new ATOM 1184 N MET A 77 0.730 3.439 -5.007 1.00 14.08 N ATOM 1185 CA MET A 77 0.964 2.730 -3.717 1.00 14.12 C ATOM 1186 C MET A 77 2.274 3.214 -3.095 1.00 11.37 C ATOM 1187 O MET A 77 3.268 3.391 -3.772 1.00 11.44 O ATOM 1188 CB MET A 77 1.046 1.223 -3.970 1.00 16.48 C ATOM 1189 CG MET A 77 -0.179 0.771 -4.767 1.00 24.75 C ATOM 1190 SD MET A 77 -0.156 -1.030 -4.939 1.00 35.11 S ATOM 1191 CE MET A 77 0.955 -1.106 -6.366 1.00 33.86 C ATOM 0 H MET A 77 1.564 3.822 -5.451 1.00 14.08 H new ATOM 0 HA MET A 77 0.140 2.940 -3.035 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.958 0.985 -4.518 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.094 0.687 -3.022 1.00 16.48 H new ATOM 0 HG2 MET A 77 -1.092 1.087 -4.262 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.180 1.241 -5.750 1.00 24.75 H new ATOM 0 HE1 MET A 77 1.028 -2.136 -6.716 1.00 33.86 H new ATOM 0 HE2 MET A 77 0.563 -0.478 -7.166 1.00 33.86 H new ATOM 0 HE3 MET A 77 1.944 -0.750 -6.077 1.00 33.86 H new ATOM 1201 N ILE A 78 2.281 3.432 -1.810 1.00 11.78 N ATOM 1202 CA ILE A 78 3.523 3.909 -1.138 1.00 11.62 C ATOM 1203 C ILE A 78 4.572 2.794 -1.118 1.00 11.45 C ATOM 1204 O ILE A 78 4.270 1.644 -0.868 1.00 12.59 O ATOM 1205 CB ILE A 78 3.207 4.297 0.303 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.192 5.444 0.328 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.494 4.730 1.005 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.932 4.997 1.078 1.00 13.67 C ATOM 0 H ILE A 78 1.479 3.300 -1.194 1.00 11.78 H new ATOM 0 HA ILE A 78 3.908 4.769 -1.687 1.00 11.62 H new ATOM 0 HB ILE A 78 2.780 3.438 0.821 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.627 6.317 0.814 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.937 5.740 -0.690 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.271 5.008 2.035 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.207 3.906 0.998 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.923 5.586 0.483 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.210 5.813 1.096 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.494 4.136 0.573 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.195 4.723 2.100 1.00 13.67 H new ATOM 1220 N ASP A 79 5.808 3.136 -1.352 1.00 10.05 N ATOM 1221 CA ASP A 79 6.895 2.114 -1.319 1.00 14.79 C ATOM 1222 C ASP A 79 7.719 2.333 -0.049 1.00 15.20 C ATOM 1223 O ASP A 79 8.335 1.431 0.482 1.00 18.10 O ATOM 1224 CB ASP A 79 7.792 2.271 -2.550 1.00 12.21 C ATOM 1225 CG ASP A 79 7.773 0.977 -3.366 1.00 17.52 C ATOM 1226 OD1 ASP A 79 6.707 0.607 -3.830 1.00 21.87 O ATOM 1227 OD2 ASP A 79 8.826 0.378 -3.513 1.00 24.06 O ATOM 0 H ASP A 79 6.115 4.085 -1.566 1.00 10.05 H new ATOM 0 HA ASP A 79 6.468 1.111 -1.324 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.445 3.104 -3.162 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.811 2.504 -2.243 1.00 12.21 H new ATOM 1232 N ARG A 80 7.707 3.539 0.438 1.00 17.08 N ATOM 1233 CA ARG A 80 8.449 3.888 1.679 1.00 17.14 C ATOM 1234 C ARG A 80 8.207 5.368 1.945 1.00 14.98 C ATOM 1235 O ARG A 80 9.084 6.200 1.823 1.00 16.47 O ATOM 1236 CB ARG A 80 9.945 3.616 1.504 1.00 17.78 C ATOM 1237 CG ARG A 80 10.714 4.219 2.681 1.00 22.76 C ATOM 1238 CD ARG A 80 11.657 3.168 3.271 1.00 28.43 C ATOM 1239 NE ARG A 80 13.070 3.601 3.074 1.00 33.10 N ATOM 1240 CZ ARG A 80 14.031 3.031 3.750 1.00 30.84 C ATOM 1241 NH1 ARG A 80 13.761 2.081 4.604 1.00 33.12 N ATOM 1242 NH2 ARG A 80 15.266 3.413 3.572 1.00 35.04 N ATOM 0 H ARG A 80 7.201 4.318 0.017 1.00 17.08 H new ATOM 0 HA ARG A 80 8.103 3.283 2.517 1.00 17.14 H new ATOM 0 HB2 ARG A 80 10.126 2.543 1.449 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.297 4.047 0.567 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.283 5.088 2.350 1.00 22.76 H new ATOM 0 HG3 ARG A 80 10.017 4.566 3.444 1.00 22.76 H new ATOM 0 HD2 ARG A 80 11.451 3.035 4.333 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.491 2.204 2.790 1.00 28.43 H new ATOM 0 HE ARG A 80 13.287 4.344 2.410 1.00 33.10 H new ATOM 0 HH11 ARG A 80 12.796 1.781 4.745 1.00 33.12 H new ATOM 0 HH12 ARG A 80 14.515 1.639 5.130 1.00 33.12 H new ATOM 0 HH21 ARG A 80 15.479 4.155 2.906 1.00 35.04 H new ATOM 0 HH22 ARG A 80 16.018 2.969 4.099 1.00 35.04 H new ATOM 1256 N LEU A 81 6.992 5.680 2.276 1.00 11.03 N ATOM 1257 CA LEU A 81 6.582 7.084 2.531 1.00 11.27 C ATOM 1258 C LEU A 81 7.721 7.902 3.152 1.00 15.61 C ATOM 1259 O LEU A 81 8.212 7.601 4.222 1.00 18.56 O ATOM 1260 CB LEU A 81 5.348 7.071 3.438 1.00 13.62 C ATOM 1261 CG LEU A 81 5.751 7.212 4.903 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.489 7.304 5.763 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.566 5.981 5.322 1.00 18.72 C ATOM 0 H LEU A 81 6.241 4.998 2.384 1.00 11.03 H new ATOM 0 HA LEU A 81 6.338 7.566 1.585 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.678 7.885 3.160 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.796 6.142 3.296 1.00 13.62 H new ATOM 0 HG LEU A 81 6.352 8.111 5.038 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.770 7.405 6.811 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.904 8.172 5.459 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.893 6.401 5.632 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.857 6.076 6.368 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.961 5.083 5.194 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.460 5.908 4.702 1.00 18.72 H new ATOM 1275 N ARG A 82 8.125 8.951 2.489 1.00 13.37 N ATOM 1276 CA ARG A 82 9.206 9.812 3.036 1.00 12.72 C ATOM 1277 C ARG A 82 8.553 10.919 3.861 1.00 13.33 C ATOM 1278 O ARG A 82 7.846 11.756 3.340 1.00 13.27 O ATOM 1279 CB ARG A 82 10.004 10.430 1.887 1.00 13.85 C ATOM 1280 CG ARG A 82 11.376 9.761 1.799 1.00 16.22 C ATOM 1281 CD ARG A 82 12.469 10.826 1.895 1.00 16.62 C ATOM 1282 NE ARG A 82 13.289 10.810 0.651 1.00 15.85 N ATOM 1283 CZ ARG A 82 14.078 11.814 0.374 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.149 12.837 1.183 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.796 11.794 -0.716 1.00 16.89 N ATOM 0 H ARG A 82 7.750 9.248 1.588 1.00 13.37 H new ATOM 0 HA ARG A 82 9.883 9.224 3.656 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.466 10.304 0.948 1.00 13.85 H new ATOM 0 HB3 ARG A 82 10.120 11.502 2.047 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.490 9.034 2.603 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.467 9.215 0.860 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.022 11.810 2.036 1.00 16.62 H new ATOM 0 HD3 ARG A 82 13.101 10.636 2.762 1.00 16.62 H new ATOM 0 HE ARG A 82 13.234 10.014 0.015 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.587 12.854 2.034 1.00 20.55 H new ATOM 0 HH12 ARG A 82 14.766 13.619 0.963 1.00 20.55 H new ATOM 0 HH21 ARG A 82 14.740 10.996 -1.349 1.00 16.89 H new ATOM 0 HH22 ARG A 82 15.413 12.576 -0.935 1.00 16.89 H new ATOM 1299 N LEU A 83 8.754 10.917 5.145 1.00 13.53 N ATOM 1300 CA LEU A 83 8.108 11.961 5.989 1.00 13.86 C ATOM 1301 C LEU A 83 8.918 13.254 5.973 1.00 13.02 C ATOM 1302 O LEU A 83 10.127 13.253 5.851 1.00 14.40 O ATOM 1303 CB LEU A 83 7.981 11.470 7.427 1.00 9.93 C ATOM 1304 CG LEU A 83 6.522 11.562 7.874 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.437 11.306 9.382 1.00 8.88 C ATOM 1306 CD2 LEU A 83 5.984 12.962 7.567 1.00 10.58 C ATOM 0 H LEU A 83 9.333 10.244 5.647 1.00 13.53 H new ATOM 0 HA LEU A 83 7.118 12.158 5.578 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.331 10.440 7.502 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.611 12.070 8.084 1.00 9.93 H new ATOM 0 HG LEU A 83 5.929 10.818 7.342 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.398 11.371 9.704 1.00 8.88 H new ATOM 0 HD12 LEU A 83 6.824 10.312 9.605 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.028 12.053 9.912 1.00 8.88 H new ATOM 0 HD21 LEU A 83 4.944 13.030 7.885 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.576 13.705 8.102 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.049 13.150 6.495 1.00 10.58 H new ATOM 1318 N VAL A 84 8.240 14.358 6.099 1.00 11.81 N ATOM 1319 CA VAL A 84 8.912 15.674 6.101 1.00 12.86 C ATOM 1320 C VAL A 84 8.073 16.632 6.955 1.00 14.98 C ATOM 1321 O VAL A 84 6.870 16.484 7.033 1.00 13.59 O ATOM 1322 CB VAL A 84 8.981 16.178 4.661 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.765 15.178 3.807 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.561 16.320 4.106 1.00 17.34 C ATOM 0 H VAL A 84 7.226 14.399 6.203 1.00 11.81 H new ATOM 0 HA VAL A 84 9.920 15.606 6.509 1.00 12.86 H new ATOM 0 HB VAL A 84 9.482 17.146 4.636 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.814 15.537 2.779 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.775 15.074 4.204 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.265 14.210 3.829 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.606 16.680 3.078 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.062 15.351 4.130 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.002 17.031 4.715 1.00 17.34 H new ATOM 1334 N PRO A 85 8.720 17.585 7.571 1.00 18.65 N ATOM 1335 CA PRO A 85 8.036 18.574 8.423 1.00 22.41 C ATOM 1336 C PRO A 85 7.025 19.386 7.602 1.00 25.70 C ATOM 1337 O PRO A 85 7.266 19.725 6.461 1.00 22.08 O ATOM 1338 CB PRO A 85 9.176 19.425 8.985 1.00 21.19 C ATOM 1339 CG PRO A 85 10.370 19.197 8.044 1.00 18.95 C ATOM 1340 CD PRO A 85 10.170 17.789 7.459 1.00 20.63 C ATOM 0 HA PRO A 85 7.445 18.129 9.223 1.00 22.41 H new ATOM 0 HB2 PRO A 85 8.899 20.479 9.017 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.420 19.128 10.005 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.397 19.949 7.256 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.314 19.267 8.584 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.507 17.731 6.424 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.727 17.037 8.018 1.00 20.63 H new ATOM 1348 N ALA A 86 5.884 19.679 8.172 1.00 31.74 N ATOM 1349 CA ALA A 86 4.840 20.443 7.428 1.00 39.94 C ATOM 1350 C ALA A 86 5.342 21.862 7.148 1.00 46.96 C ATOM 1351 O ALA A 86 5.595 22.631 8.054 1.00 49.29 O ATOM 1352 CB ALA A 86 3.562 20.505 8.271 1.00 39.70 C ATOM 0 H ALA A 86 5.630 19.420 9.125 1.00 31.74 H new ATOM 0 HA ALA A 86 4.629 19.945 6.482 1.00 39.94 H new ATOM 0 HB1 ALA A 86 2.797 21.062 7.731 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.205 19.494 8.466 1.00 39.70 H new ATOM 0 HB3 ALA A 86 3.774 21.003 9.217 1.00 39.70 H new ATOM 1358 N LYS A 87 5.488 22.213 5.899 1.00 51.78 N ATOM 1359 CA LYS A 87 5.973 23.581 5.561 1.00 55.12 C ATOM 1360 C LYS A 87 7.248 23.881 6.353 1.00 55.82 C ATOM 1361 O LYS A 87 7.392 25.006 6.802 1.00 58.05 O ATOM 1362 CB LYS A 87 4.897 24.608 5.920 1.00 52.96 C ATOM 1363 CG LYS A 87 3.706 24.451 4.973 1.00 55.49 C ATOM 1364 CD LYS A 87 4.122 24.852 3.556 1.00 56.64 C ATOM 1365 CE LYS A 87 3.824 23.702 2.592 1.00 58.91 C ATOM 1366 NZ LYS A 87 3.862 24.207 1.190 1.00 58.16 N ATOM 1367 OXT LYS A 87 8.058 22.981 6.496 1.00 57.66 O ATOM 0 H LYS A 87 5.292 21.612 5.099 1.00 51.78 H new ATOM 0 HA LYS A 87 6.186 23.636 4.494 1.00 55.12 H new ATOM 0 HB2 LYS A 87 4.576 24.468 6.952 1.00 52.96 H new ATOM 0 HB3 LYS A 87 5.303 25.617 5.847 1.00 52.96 H new ATOM 0 HG2 LYS A 87 3.355 23.419 4.982 1.00 55.49 H new ATOM 0 HG3 LYS A 87 2.876 25.073 5.309 1.00 55.49 H new ATOM 0 HD2 LYS A 87 3.584 25.748 3.247 1.00 56.64 H new ATOM 0 HD3 LYS A 87 5.184 25.094 3.532 1.00 56.64 H new ATOM 0 HE2 LYS A 87 4.556 22.905 2.723 1.00 58.91 H new ATOM 0 HE3 LYS A 87 2.845 23.275 2.810 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 3.660 23.426 0.534 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 3.148 24.953 1.070 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 4.805 24.595 0.986 1.00 58.16 H new ATOM 1382 N MET B 1 2.909 17.275 -3.544 1.00 42.32 N ATOM 1383 CA MET B 1 1.843 16.283 -3.224 1.00 40.89 C ATOM 1384 C MET B 1 1.754 15.251 -4.347 1.00 34.75 C ATOM 1385 O MET B 1 2.440 15.345 -5.345 1.00 33.97 O ATOM 1386 CB MET B 1 0.492 17.002 -3.094 1.00 48.45 C ATOM 1387 CG MET B 1 -0.001 17.452 -4.478 1.00 56.13 C ATOM 1388 SD MET B 1 0.835 18.987 -4.944 1.00 64.91 S ATOM 1389 CE MET B 1 -0.097 20.091 -3.855 1.00 63.43 C ATOM 0 H1 MET B 1 3.522 17.406 -2.714 1.00 42.32 H new ATOM 0 H2 MET B 1 3.477 16.928 -4.343 1.00 42.32 H new ATOM 0 H3 MET B 1 2.472 18.184 -3.799 1.00 42.32 H new ATOM 0 HA MET B 1 2.085 15.786 -2.285 1.00 40.89 H new ATOM 0 HB2 MET B 1 -0.240 16.337 -2.637 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.592 17.866 -2.436 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.200 16.677 -5.217 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.080 17.604 -4.460 1.00 56.13 H new ATOM 0 HE1 MET B 1 -0.582 20.865 -4.450 1.00 63.43 H new ATOM 0 HE2 MET B 1 -0.853 19.519 -3.318 1.00 63.43 H new ATOM 0 HE3 MET B 1 0.582 20.556 -3.140 1.00 63.43 H new ATOM 1401 N ILE B 2 0.896 14.281 -4.203 1.00 28.59 N ATOM 1402 CA ILE B 2 0.746 13.266 -5.277 1.00 24.58 C ATOM 1403 C ILE B 2 -0.012 13.910 -6.433 1.00 19.29 C ATOM 1404 O ILE B 2 -1.138 13.567 -6.731 1.00 19.53 O ATOM 1405 CB ILE B 2 -0.037 12.074 -4.750 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.502 11.679 -3.379 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.122 10.904 -5.713 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.662 11.535 -2.411 1.00 33.80 C ATOM 0 H ILE B 2 0.294 14.149 -3.390 1.00 28.59 H new ATOM 0 HA ILE B 2 1.724 12.921 -5.612 1.00 24.58 H new ATOM 0 HB ILE B 2 -1.091 12.337 -4.664 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.053 10.741 -3.447 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.201 12.434 -3.018 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.438 10.047 -5.339 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.259 11.186 -6.695 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.177 10.641 -5.795 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.285 11.253 -1.428 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.193 12.484 -2.337 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.343 10.765 -2.773 1.00 33.80 H new ATOM 1420 N LYS B 3 0.601 14.867 -7.061 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.060 15.587 -8.182 1.00 16.66 C ATOM 1422 C LYS B 3 -0.490 14.614 -9.280 1.00 14.94 C ATOM 1423 O LYS B 3 -0.272 13.422 -9.202 1.00 13.94 O ATOM 1424 CB LYS B 3 0.909 16.617 -8.766 1.00 16.94 C ATOM 1425 CG LYS B 3 0.527 18.014 -8.271 1.00 17.85 C ATOM 1426 CD LYS B 3 1.695 18.976 -8.496 1.00 19.63 C ATOM 1427 CE LYS B 3 1.562 19.630 -9.873 1.00 26.28 C ATOM 1428 NZ LYS B 3 2.617 19.097 -10.780 1.00 32.72 N ATOM 0 H LYS B 3 1.545 15.187 -6.844 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.949 16.086 -7.796 1.00 16.66 H new ATOM 0 HB2 LYS B 3 1.931 16.381 -8.468 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.879 16.584 -9.855 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.357 18.369 -8.801 1.00 17.85 H new ATOM 0 HG3 LYS B 3 0.271 17.978 -7.212 1.00 17.85 H new ATOM 0 HD2 LYS B 3 1.705 19.740 -7.719 1.00 19.63 H new ATOM 0 HD3 LYS B 3 2.641 18.438 -8.427 1.00 19.63 H new ATOM 0 HE2 LYS B 3 0.575 19.429 -10.289 1.00 26.28 H new ATOM 0 HE3 LYS B 3 1.657 20.712 -9.784 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 2.527 19.541 -11.716 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 3.555 19.310 -10.384 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 2.507 18.067 -10.874 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.105 15.137 -10.304 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.574 14.289 -11.433 1.00 12.99 C ATOM 1444 C VAL B 4 -2.377 15.162 -12.399 1.00 14.26 C ATOM 1445 O VAL B 4 -2.764 16.270 -12.084 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.455 13.142 -10.895 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.177 13.605 -9.635 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.496 12.715 -11.945 1.00 10.41 C ATOM 0 H VAL B 4 -1.305 16.132 -10.407 1.00 12.42 H new ATOM 0 HA VAL B 4 -0.720 13.855 -11.953 1.00 12.99 H new ATOM 0 HB VAL B 4 -1.814 12.290 -10.669 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.800 12.795 -9.254 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.444 13.886 -8.878 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.804 14.465 -9.870 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.106 11.905 -11.544 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.135 13.564 -12.190 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -2.986 12.373 -12.845 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.630 14.661 -13.569 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.410 15.437 -14.567 1.00 10.51 C ATOM 1460 C GLU B 5 -4.405 14.509 -15.240 1.00 10.00 C ATOM 1461 O GLU B 5 -4.037 13.595 -15.953 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.466 16.021 -15.615 1.00 10.42 C ATOM 1463 CG GLU B 5 -1.776 17.252 -15.034 1.00 18.68 C ATOM 1464 CD GLU B 5 -0.572 17.622 -15.901 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -0.782 17.986 -17.046 1.00 22.12 O ATOM 1466 OE2 GLU B 5 0.539 17.536 -15.406 1.00 19.38 O ATOM 0 H GLU B 5 -2.328 13.738 -13.881 1.00 9.27 H new ATOM 0 HA GLU B 5 -3.939 16.251 -14.071 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -1.725 15.278 -15.909 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.022 16.290 -16.513 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -2.476 18.087 -14.990 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.453 17.052 -14.012 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.662 14.736 -15.025 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.678 13.862 -15.671 1.00 10.60 C ATOM 1475 C ILE B 6 -6.711 14.218 -17.169 1.00 10.16 C ATOM 1476 O ILE B 6 -7.238 15.240 -17.564 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.056 14.057 -14.985 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.517 12.719 -14.399 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.108 14.554 -15.977 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.230 12.687 -12.895 1.00 13.81 C ATOM 0 H ILE B 6 -6.033 15.481 -14.436 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.425 12.807 -15.563 1.00 10.60 H new ATOM 0 HB ILE B 6 -7.944 14.804 -14.200 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.583 12.581 -14.578 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -8.001 11.897 -14.895 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.061 14.680 -15.464 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -8.792 15.510 -16.394 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.222 13.827 -16.781 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.559 11.734 -12.482 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.160 12.805 -12.726 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.766 13.499 -12.405 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.126 13.395 -18.003 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.102 13.700 -19.460 1.00 11.59 C ATOM 1494 C LYS B 7 -7.500 14.125 -19.918 1.00 12.98 C ATOM 1495 O LYS B 7 -8.451 14.024 -19.169 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.658 12.448 -20.223 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.201 12.603 -20.683 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.353 13.233 -19.574 1.00 15.70 C ATOM 1499 CE LYS B 7 -2.890 14.621 -20.012 1.00 19.19 C ATOM 1500 NZ LYS B 7 -3.581 15.661 -19.199 1.00 25.43 N ATOM 0 H LYS B 7 -5.665 12.526 -17.735 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.404 14.513 -19.658 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.755 11.570 -19.585 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.305 12.289 -21.085 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -3.793 11.629 -20.952 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.160 13.224 -21.578 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -3.934 13.305 -18.654 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.491 12.602 -19.358 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -1.810 14.710 -19.892 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.106 14.770 -21.070 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -4.295 16.141 -19.783 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -4.045 15.212 -18.384 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -2.886 16.357 -18.862 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.582 14.592 -21.138 1.00 13.56 N ATOM 1515 CA PRO B 8 -8.854 15.045 -21.727 1.00 11.93 C ATOM 1516 C PRO B 8 -9.719 13.843 -22.094 1.00 10.20 C ATOM 1517 O PRO B 8 -10.932 13.908 -22.091 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.420 15.827 -22.971 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.005 15.319 -23.331 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.421 14.703 -22.045 1.00 13.61 C ATOM 0 HA PRO B 8 -9.455 15.652 -21.050 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.114 15.662 -23.795 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -8.410 16.899 -22.773 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.050 14.579 -24.130 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.379 16.136 -23.689 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -5.972 13.729 -22.238 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -5.641 15.335 -21.619 1.00 13.61 H new ATOM 1528 N SER B 9 -9.098 12.740 -22.391 1.00 10.65 N ATOM 1529 CA SER B 9 -9.873 11.519 -22.738 1.00 10.83 C ATOM 1530 C SER B 9 -10.202 10.755 -21.453 1.00 10.94 C ATOM 1531 O SER B 9 -10.847 9.726 -21.477 1.00 13.16 O ATOM 1532 CB SER B 9 -9.043 10.630 -23.666 1.00 13.01 C ATOM 1533 OG SER B 9 -8.449 11.433 -24.678 1.00 15.52 O ATOM 0 H SER B 9 -8.084 12.630 -22.409 1.00 10.65 H new ATOM 0 HA SER B 9 -10.796 11.801 -23.245 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.271 10.111 -23.097 1.00 13.01 H new ATOM 0 HB3 SER B 9 -9.675 9.865 -24.117 1.00 13.01 H new ATOM 0 HG SER B 9 -7.915 10.867 -25.273 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.764 11.257 -20.328 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.051 10.570 -19.041 1.00 11.55 C ATOM 1541 C GLN B 10 -10.930 11.471 -18.172 1.00 13.72 C ATOM 1542 O GLN B 10 -10.775 11.531 -16.969 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.741 10.289 -18.312 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.696 9.826 -19.321 1.00 7.20 C ATOM 1545 CD GLN B 10 -8.008 8.394 -19.761 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -9.069 7.876 -19.474 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -7.122 7.728 -20.450 1.00 4.80 N ATOM 0 H GLN B 10 -9.219 12.115 -20.248 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.568 9.631 -19.237 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.396 11.187 -17.799 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.892 9.525 -17.550 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.691 10.490 -20.185 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.701 9.873 -18.877 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.231 8.163 -20.691 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.320 6.773 -20.748 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.845 12.183 -18.769 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.720 13.085 -17.967 1.00 18.95 C ATOM 1558 C ALA B 11 -14.073 12.416 -17.718 1.00 20.75 C ATOM 1559 O ALA B 11 -15.008 13.038 -17.254 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.930 14.396 -18.725 1.00 17.72 C ATOM 0 H ALA B 11 -12.025 12.180 -19.773 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.242 13.288 -17.009 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.570 15.056 -18.140 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -11.967 14.878 -18.892 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.403 14.190 -19.685 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.187 11.154 -18.020 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.478 10.448 -17.798 1.00 25.43 C ATOM 1568 C GLN B 12 -15.216 9.067 -17.203 1.00 22.80 C ATOM 1569 O GLN B 12 -14.333 8.353 -17.634 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.210 10.298 -19.128 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.098 11.517 -19.340 1.00 42.11 C ATOM 1572 CD GLN B 12 -17.889 11.359 -20.640 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -19.096 11.229 -20.618 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -17.254 11.364 -21.780 1.00 47.90 N ATOM 0 H GLN B 12 -13.440 10.580 -18.412 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.091 11.027 -17.107 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.494 10.206 -19.945 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.811 9.389 -19.127 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.782 11.632 -18.499 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.489 12.420 -19.381 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -16.240 11.473 -21.799 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -17.772 11.259 -22.653 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.976 8.682 -16.214 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.766 7.351 -15.599 1.00 20.51 C ATOM 1585 C PHE B 13 -16.543 6.299 -16.381 1.00 18.83 C ATOM 1586 O PHE B 13 -17.407 6.612 -17.177 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.277 7.378 -14.165 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.693 7.906 -14.171 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.760 7.046 -14.453 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -17.936 9.260 -13.905 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -20.070 7.540 -14.465 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.243 9.752 -13.919 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.310 8.893 -14.198 1.00 18.48 C ATOM 0 H PHE B 13 -16.731 9.235 -15.809 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.704 7.108 -15.613 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.248 6.378 -13.733 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.639 8.011 -13.547 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.573 6.003 -14.661 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.112 9.924 -13.689 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.895 6.877 -14.680 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.429 10.796 -13.714 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.321 9.274 -14.208 1.00 18.48 H new ATOM 1603 N THR B 14 -16.252 5.053 -16.153 1.00 14.89 N ATOM 1604 CA THR B 14 -16.984 3.981 -16.872 1.00 13.37 C ATOM 1605 C THR B 14 -17.410 2.906 -15.874 1.00 11.97 C ATOM 1606 O THR B 14 -16.755 2.675 -14.876 1.00 10.76 O ATOM 1607 CB THR B 14 -16.076 3.359 -17.933 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.628 4.370 -18.825 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.852 2.296 -18.709 1.00 9.24 C ATOM 0 H THR B 14 -15.538 4.731 -15.499 1.00 14.89 H new ATOM 0 HA THR B 14 -17.865 4.404 -17.356 1.00 13.37 H new ATOM 0 HB THR B 14 -15.215 2.896 -17.450 1.00 13.68 H new ATOM 0 HG1 THR B 14 -15.045 3.972 -19.504 1.00 13.48 H new ATOM 0 HG21 THR B 14 -16.205 1.853 -19.465 1.00 9.24 H new ATOM 0 HG22 THR B 14 -17.192 1.520 -18.023 1.00 9.24 H new ATOM 0 HG23 THR B 14 -17.714 2.756 -19.193 1.00 9.24 H new ATOM 1617 N THR B 15 -18.502 2.246 -16.133 1.00 13.20 N ATOM 1618 CA THR B 15 -18.968 1.186 -15.198 1.00 12.54 C ATOM 1619 C THR B 15 -18.082 -0.051 -15.357 1.00 14.34 C ATOM 1620 O THR B 15 -18.076 -0.693 -16.389 1.00 17.35 O ATOM 1621 CB THR B 15 -20.419 0.824 -15.522 1.00 11.88 C ATOM 1622 OG1 THR B 15 -21.051 1.930 -16.151 1.00 17.15 O ATOM 1623 CG2 THR B 15 -21.160 0.477 -14.231 1.00 8.30 C ATOM 0 H THR B 15 -19.092 2.394 -16.951 1.00 13.20 H new ATOM 0 HA THR B 15 -18.907 1.548 -14.172 1.00 12.54 H new ATOM 0 HB THR B 15 -20.439 -0.036 -16.192 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.980 1.700 -16.361 1.00 17.15 H new ATOM 0 HG21 THR B 15 -22.193 0.219 -14.463 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.674 -0.371 -13.749 1.00 8.30 H new ATOM 0 HG23 THR B 15 -21.142 1.335 -13.559 1.00 8.30 H new ATOM 1816 N LEU B 28 -19.327 -0.176 -9.974 1.00 18.57 N ATOM 1817 CA LEU B 28 -19.109 1.262 -9.654 1.00 16.31 C ATOM 1818 C LEU B 28 -18.487 1.979 -10.854 1.00 14.21 C ATOM 1819 O LEU B 28 -18.100 1.368 -11.829 1.00 16.97 O ATOM 1820 CB LEU B 28 -18.180 1.374 -8.447 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.759 2.377 -7.450 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -19.363 1.626 -6.261 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.647 3.308 -6.957 1.00 22.01 C ATOM 0 HA LEU B 28 -20.067 1.729 -9.424 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -18.063 0.400 -7.973 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -17.188 1.694 -8.766 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.535 2.966 -7.938 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -19.776 2.342 -5.550 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -20.156 0.965 -6.613 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -18.588 1.035 -5.772 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -18.060 4.023 -6.246 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.869 2.720 -6.470 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -17.219 3.844 -7.804 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.396 3.278 -10.781 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.805 4.060 -11.909 1.00 9.77 C ATOM 1837 C ASN B 29 -16.288 4.174 -11.723 1.00 7.94 C ATOM 1838 O ASN B 29 -15.808 4.554 -10.674 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.412 5.477 -11.977 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.091 5.871 -10.656 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -18.874 5.261 -9.630 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.905 6.892 -10.643 1.00 12.89 N ATOM 0 H ASN B 29 -18.706 3.836 -9.986 1.00 11.64 H new ATOM 0 HA ASN B 29 -18.029 3.536 -12.838 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.628 6.197 -12.212 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -19.140 5.522 -12.787 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.356 7.174 -9.772 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -20.090 7.408 -11.503 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.530 3.848 -12.738 1.00 8.58 N ATOM 1850 CA GLU B 30 -14.044 3.940 -12.627 1.00 13.16 C ATOM 1851 C GLU B 30 -13.527 5.012 -13.593 1.00 12.26 C ATOM 1852 O GLU B 30 -14.215 5.413 -14.509 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.421 2.589 -12.987 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.309 1.727 -11.728 1.00 27.13 C ATOM 1855 CD GLU B 30 -12.355 0.560 -11.991 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -11.243 0.816 -12.423 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -12.752 -0.569 -11.757 1.00 40.03 O ATOM 0 H GLU B 30 -15.877 3.522 -13.640 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.771 4.206 -11.606 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -14.032 2.082 -13.734 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.435 2.737 -13.428 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.945 2.328 -10.895 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -14.292 1.350 -11.444 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.323 5.484 -13.395 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.773 6.533 -14.305 1.00 9.46 C ATOM 1866 C GLN B 31 -10.254 6.381 -14.417 1.00 10.09 C ATOM 1867 O GLN B 31 -9.673 5.443 -13.908 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.096 7.921 -13.738 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.775 8.776 -14.809 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.858 9.943 -15.176 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.704 9.742 -15.499 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.321 11.163 -15.133 1.00 12.39 N ATOM 0 H GLN B 31 -11.698 5.189 -12.644 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.223 6.420 -15.291 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.747 7.826 -12.869 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.181 8.407 -13.399 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.988 8.173 -15.692 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.730 9.150 -14.441 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.290 11.332 -14.862 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.714 11.948 -15.371 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.607 7.306 -15.075 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.126 7.229 -15.218 1.00 10.34 C ATOM 1883 C LEU B 32 -7.517 8.601 -14.914 1.00 9.02 C ATOM 1884 O LEU B 32 -8.184 9.615 -14.978 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.767 6.819 -16.649 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.621 5.622 -17.072 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -8.242 5.206 -18.495 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -8.373 4.454 -16.114 1.00 15.89 C ATOM 0 H LEU B 32 -10.043 8.113 -15.520 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.732 6.489 -14.521 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -7.932 7.654 -17.329 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.709 6.563 -16.710 1.00 10.20 H new ATOM 0 HG LEU B 32 -9.675 5.897 -17.042 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -8.849 4.353 -18.799 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -8.418 6.038 -19.177 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -7.188 4.930 -18.525 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -8.981 3.601 -16.415 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -7.319 4.177 -16.143 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -8.642 4.751 -15.100 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.252 8.644 -14.586 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.591 9.945 -14.282 1.00 8.10 C ATOM 1902 C CYS B 33 -4.100 9.794 -14.570 1.00 6.34 C ATOM 1903 O CYS B 33 -3.614 8.702 -14.773 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.787 10.320 -12.805 1.00 8.88 C ATOM 1905 SG CYS B 33 -7.448 9.855 -12.253 1.00 13.84 S ATOM 0 H CYS B 33 -5.645 7.827 -14.516 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.030 10.731 -14.896 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.039 9.817 -12.193 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -5.639 11.392 -12.672 1.00 8.88 H new ATOM 0 HG CYS B 33 -8.284 9.981 -13.240 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.367 10.868 -14.597 1.00 7.35 N ATOM 1912 CA TYR B 34 -1.912 10.755 -14.885 1.00 7.08 C ATOM 1913 C TYR B 34 -1.108 11.313 -13.705 1.00 7.71 C ATOM 1914 O TYR B 34 -1.046 12.509 -13.499 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.595 11.562 -16.137 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.898 10.743 -17.372 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -0.943 9.849 -17.876 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -3.122 10.902 -18.028 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -1.213 9.119 -19.033 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -3.390 10.172 -19.189 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.433 9.283 -19.691 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.699 8.561 -20.837 1.00 21.14 O ATOM 0 H TYR B 34 -3.709 11.815 -14.433 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.647 9.709 -15.037 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.183 12.480 -16.146 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.545 11.856 -16.134 1.00 8.67 H new ATOM 0 HD1 TYR B 34 0.002 9.726 -17.368 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -3.859 11.588 -17.638 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -0.479 8.427 -19.420 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -4.335 10.294 -19.698 1.00 16.38 H new ATOM 0 HH TYR B 34 -3.592 8.792 -21.169 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.505 10.463 -12.922 1.00 9.44 N ATOM 1933 CA VAL B 35 0.273 10.958 -11.748 1.00 10.66 C ATOM 1934 C VAL B 35 1.768 11.037 -12.074 1.00 10.57 C ATOM 1935 O VAL B 35 2.329 10.168 -12.710 1.00 8.31 O ATOM 1936 CB VAL B 35 0.065 10.009 -10.569 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.760 10.577 -9.330 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.434 9.865 -10.295 1.00 9.86 C ATOM 0 H VAL B 35 -0.516 9.450 -13.042 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.080 11.958 -11.496 1.00 10.66 H new ATOM 0 HB VAL B 35 0.488 9.032 -10.805 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.612 9.901 -8.488 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.827 10.683 -9.528 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.337 11.553 -9.091 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.587 9.188 -9.454 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -1.856 10.841 -10.056 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -1.928 9.462 -11.179 1.00 9.86 H new ATOM 1948 N ASP B 36 2.417 12.076 -11.618 1.00 8.58 N ATOM 1949 CA ASP B 36 3.870 12.231 -11.862 1.00 11.48 C ATOM 1950 C ASP B 36 4.593 12.168 -10.514 1.00 12.38 C ATOM 1951 O ASP B 36 4.232 11.391 -9.656 1.00 11.89 O ATOM 1952 CB ASP B 36 4.138 13.580 -12.530 1.00 16.17 C ATOM 1953 CG ASP B 36 3.346 13.671 -13.835 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.148 13.892 -13.764 1.00 15.67 O ATOM 1955 OD2 ASP B 36 3.951 13.518 -14.883 1.00 25.89 O ATOM 0 H ASP B 36 1.991 12.831 -11.080 1.00 8.58 H new ATOM 0 HA ASP B 36 4.229 11.437 -12.517 1.00 11.48 H new ATOM 0 HB2 ASP B 36 3.852 14.392 -11.861 1.00 16.17 H new ATOM 0 HB3 ASP B 36 5.203 13.693 -12.730 1.00 16.17 H new ATOM 1960 N LEU B 37 5.601 12.979 -10.307 1.00 13.17 N ATOM 1961 CA LEU B 37 6.314 12.945 -8.998 1.00 18.47 C ATOM 1962 C LEU B 37 7.038 11.616 -8.881 1.00 21.14 C ATOM 1963 O LEU B 37 8.250 11.541 -8.932 1.00 24.24 O ATOM 1964 CB LEU B 37 5.299 13.068 -7.866 1.00 15.81 C ATOM 1965 CG LEU B 37 4.179 14.015 -8.288 1.00 20.59 C ATOM 1966 CD1 LEU B 37 2.834 13.289 -8.178 1.00 14.72 C ATOM 1967 CD2 LEU B 37 4.180 15.236 -7.365 1.00 20.01 C ATOM 0 H LEU B 37 5.956 13.656 -10.982 1.00 13.17 H new ATOM 0 HA LEU B 37 7.025 13.769 -8.935 1.00 18.47 H new ATOM 0 HB2 LEU B 37 4.889 12.088 -7.623 1.00 15.81 H new ATOM 0 HB3 LEU B 37 5.786 13.442 -6.965 1.00 15.81 H new ATOM 0 HG LEU B 37 4.334 14.336 -9.318 1.00 20.59 H new ATOM 0 HD11 LEU B 37 2.031 13.962 -8.479 1.00 14.72 H new ATOM 0 HD12 LEU B 37 2.838 12.415 -8.830 1.00 14.72 H new ATOM 0 HD13 LEU B 37 2.675 12.972 -7.147 1.00 14.72 H new ATOM 0 HD21 LEU B 37 3.382 15.917 -7.661 1.00 20.01 H new ATOM 0 HD22 LEU B 37 4.019 14.914 -6.336 1.00 20.01 H new ATOM 0 HD23 LEU B 37 5.140 15.748 -7.440 1.00 20.01 H new ATOM 1979 N GLY B 38 6.294 10.560 -8.760 1.00 20.70 N ATOM 1980 CA GLY B 38 6.915 9.221 -8.680 1.00 23.91 C ATOM 1981 C GLY B 38 7.306 8.800 -10.096 1.00 26.50 C ATOM 1982 O GLY B 38 7.866 7.744 -10.311 1.00 31.02 O ATOM 0 H GLY B 38 5.275 10.569 -8.713 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.792 9.245 -8.033 1.00 23.91 H new ATOM 0 HA3 GLY B 38 6.219 8.503 -8.247 1.00 23.91 H new ATOM 1986 N ASN B 39 7.011 9.631 -11.069 1.00 27.64 N ATOM 1987 CA ASN B 39 7.360 9.296 -12.475 1.00 30.27 C ATOM 1988 C ASN B 39 7.365 10.583 -13.304 1.00 26.79 C ATOM 1989 O ASN B 39 6.334 11.175 -13.549 1.00 26.87 O ATOM 1990 CB ASN B 39 6.334 8.316 -13.064 1.00 35.62 C ATOM 1991 CG ASN B 39 5.630 7.546 -11.942 1.00 41.31 C ATOM 1992 OD1 ASN B 39 6.027 6.450 -11.601 1.00 43.23 O ATOM 1993 ND2 ASN B 39 4.596 8.079 -11.351 1.00 39.63 N ATOM 0 H ASN B 39 6.542 10.528 -10.943 1.00 27.64 H new ATOM 0 HA ASN B 39 8.344 8.828 -12.498 1.00 30.27 H new ATOM 0 HB2 ASN B 39 5.599 8.861 -13.657 1.00 35.62 H new ATOM 0 HB3 ASN B 39 6.832 7.618 -13.737 1.00 35.62 H new ATOM 0 HD21 ASN B 39 4.121 7.575 -10.602 1.00 39.63 H new ATOM 0 HD22 ASN B 39 4.263 8.999 -11.638 1.00 39.63 H new ATOM 2000 N GLU B 40 8.525 11.017 -13.724 1.00 25.15 N ATOM 2001 CA GLU B 40 8.628 12.267 -14.533 1.00 23.81 C ATOM 2002 C GLU B 40 7.443 12.365 -15.486 1.00 21.12 C ATOM 2003 O GLU B 40 6.621 13.254 -15.391 1.00 19.86 O ATOM 2004 CB GLU B 40 9.931 12.250 -15.337 1.00 27.22 C ATOM 2005 CG GLU B 40 11.098 12.646 -14.430 1.00 34.87 C ATOM 2006 CD GLU B 40 11.733 13.937 -14.949 1.00 38.97 C ATOM 2007 OE1 GLU B 40 10.991 14.834 -15.313 1.00 42.34 O ATOM 2008 OE2 GLU B 40 12.951 14.007 -14.973 1.00 39.54 O ATOM 0 H GLU B 40 9.414 10.553 -13.539 1.00 25.15 H new ATOM 0 HA GLU B 40 8.623 13.128 -13.865 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.101 11.257 -15.753 1.00 27.22 H new ATOM 0 HB3 GLU B 40 9.860 12.940 -16.178 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.746 12.787 -13.408 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.840 11.848 -14.405 1.00 34.87 H new ATOM 2015 N HIS B 41 7.346 11.445 -16.390 1.00 5.26 N ATOM 2016 CA HIS B 41 6.205 11.456 -17.348 1.00 4.85 C ATOM 2017 C HIS B 41 4.931 11.129 -16.570 1.00 4.05 C ATOM 2018 O HIS B 41 5.003 10.644 -15.458 1.00 3.26 O ATOM 2019 CB HIS B 41 6.436 10.402 -18.433 1.00 5.17 C ATOM 2020 CG HIS B 41 7.347 10.960 -19.491 1.00 5.44 C ATOM 2021 ND1 HIS B 41 8.727 10.946 -19.360 1.00 5.82 N ATOM 2022 CD2 HIS B 41 7.093 11.549 -20.705 1.00 6.53 C ATOM 2023 CE1 HIS B 41 9.245 11.511 -20.466 1.00 7.31 C ATOM 2024 NE2 HIS B 41 8.292 11.896 -21.319 1.00 8.04 N ATOM 0 H HIS B 41 8.008 10.679 -16.513 1.00 5.26 H new ATOM 0 HA HIS B 41 6.116 12.433 -17.823 1.00 4.85 H new ATOM 0 HB2 HIS B 41 6.876 9.506 -17.996 1.00 5.17 H new ATOM 0 HB3 HIS B 41 5.485 10.107 -18.876 1.00 5.17 H new ATOM 0 HD2 HIS B 41 6.110 11.717 -21.121 1.00 6.53 H new ATOM 0 HE1 HIS B 41 10.303 11.638 -20.643 1.00 7.31 H new ATOM 0 HE2 HIS B 41 8.417 12.347 -22.225 1.00 8.04 H new ATOM 2032 N PRO B 42 3.801 11.403 -17.162 1.00 15.11 N ATOM 2033 CA PRO B 42 2.508 11.141 -16.517 1.00 16.08 C ATOM 2034 C PRO B 42 2.192 9.648 -16.577 1.00 17.92 C ATOM 2035 O PRO B 42 2.464 8.985 -17.558 1.00 17.13 O ATOM 2036 CB PRO B 42 1.517 11.947 -17.355 1.00 16.41 C ATOM 2037 CG PRO B 42 2.175 12.143 -18.734 1.00 13.79 C ATOM 2038 CD PRO B 42 3.697 11.988 -18.516 1.00 16.28 C ATOM 0 HA PRO B 42 2.482 11.420 -15.464 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.568 11.419 -17.449 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.303 12.908 -16.886 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.808 11.406 -19.448 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.939 13.126 -19.141 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.145 11.338 -19.268 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.210 12.948 -18.578 1.00 16.28 H new ATOM 2046 N VAL B 43 1.623 9.113 -15.538 1.00 16.29 N ATOM 2047 CA VAL B 43 1.295 7.664 -15.539 1.00 14.28 C ATOM 2048 C VAL B 43 -0.219 7.485 -15.516 1.00 9.00 C ATOM 2049 O VAL B 43 -0.885 7.854 -14.570 1.00 7.99 O ATOM 2050 CB VAL B 43 1.906 6.999 -14.308 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.420 7.216 -14.303 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.297 7.611 -13.045 1.00 20.57 C ATOM 0 H VAL B 43 1.370 9.616 -14.687 1.00 16.29 H new ATOM 0 HA VAL B 43 1.702 7.202 -16.438 1.00 14.28 H new ATOM 0 HB VAL B 43 1.696 5.930 -14.333 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.853 6.740 -13.423 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.853 6.778 -15.202 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.634 8.284 -14.280 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.732 7.137 -12.165 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.506 8.681 -13.022 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.219 7.452 -13.047 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.767 6.920 -16.552 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.235 6.720 -16.595 1.00 11.55 C ATOM 2064 C LEU B 44 -2.627 5.577 -15.663 1.00 10.61 C ATOM 2065 O LEU B 44 -2.454 4.415 -15.976 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.661 6.382 -18.017 1.00 10.60 C ATOM 2067 CG LEU B 44 -4.177 6.246 -18.068 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.820 7.564 -17.628 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.609 5.918 -19.499 1.00 20.21 C ATOM 0 H LEU B 44 -0.259 6.588 -17.372 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.732 7.635 -16.273 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.331 7.162 -18.703 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -2.190 5.453 -18.339 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.496 5.446 -17.400 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.905 7.469 -17.664 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.510 7.798 -16.610 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.504 8.364 -18.297 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.694 5.820 -19.538 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.293 6.719 -20.167 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -4.149 4.981 -19.812 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.156 5.901 -14.522 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.570 4.847 -13.560 1.00 9.29 C ATOM 2083 C VAL B 45 -5.091 4.760 -13.538 1.00 9.95 C ATOM 2084 O VAL B 45 -5.778 5.533 -14.178 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.046 5.201 -12.165 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -1.664 5.845 -12.292 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -4.001 6.186 -11.470 1.00 10.20 C ATOM 0 H VAL B 45 -3.321 6.858 -14.211 1.00 10.81 H new ATOM 0 HA VAL B 45 -3.159 3.884 -13.863 1.00 9.29 H new ATOM 0 HB VAL B 45 -2.980 4.290 -11.570 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -1.288 6.098 -11.301 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -0.979 5.146 -12.772 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -1.739 6.751 -12.894 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -3.616 6.429 -10.480 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -4.078 7.098 -12.063 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -4.987 5.731 -11.374 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.625 3.833 -12.803 1.00 10.76 N ATOM 2098 CA LYS B 46 -7.102 3.713 -12.742 1.00 12.81 C ATOM 2099 C LYS B 46 -7.615 4.365 -11.458 1.00 13.35 C ATOM 2100 O LYS B 46 -7.021 4.244 -10.406 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.508 2.238 -12.773 1.00 17.04 C ATOM 2102 CG LYS B 46 -6.915 1.568 -14.014 1.00 26.60 C ATOM 2103 CD LYS B 46 -8.003 1.406 -15.078 1.00 33.77 C ATOM 2104 CE LYS B 46 -8.481 -0.047 -15.106 1.00 34.48 C ATOM 2105 NZ LYS B 46 -7.399 -0.917 -15.646 1.00 36.74 N ATOM 0 H LYS B 46 -5.106 3.156 -12.244 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.539 4.218 -13.603 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -7.156 1.735 -11.872 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.594 2.150 -12.784 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -6.094 2.168 -14.407 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -6.501 0.595 -13.751 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -8.839 2.070 -14.861 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -7.615 1.691 -16.056 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -8.755 -0.370 -14.102 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -9.375 -0.135 -15.724 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -7.820 -1.742 -16.118 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -6.830 -0.379 -16.331 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -6.790 -1.238 -14.866 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.715 5.062 -11.541 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.270 5.729 -10.335 1.00 16.93 C ATOM 2121 C ILE B 47 -10.715 5.264 -10.120 1.00 16.52 C ATOM 2122 O ILE B 47 -11.296 4.607 -10.960 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.224 7.251 -10.542 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.207 7.958 -9.190 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.446 7.713 -11.333 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.971 8.848 -9.105 1.00 18.26 C ATOM 0 H ILE B 47 -9.253 5.197 -12.397 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.682 5.469 -9.455 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.320 7.499 -11.097 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -10.110 8.556 -9.068 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.198 7.225 -8.383 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.402 8.793 -11.473 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.457 7.221 -12.306 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.353 7.455 -10.786 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.954 9.356 -8.141 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -7.075 8.237 -9.209 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -8.000 9.588 -9.904 1.00 18.26 H new ATOM 2138 N THR B 48 -11.298 5.601 -9.004 1.00 16.86 N ATOM 2139 CA THR B 48 -12.701 5.179 -8.744 1.00 16.59 C ATOM 2140 C THR B 48 -13.615 6.405 -8.754 1.00 19.04 C ATOM 2141 O THR B 48 -13.253 7.466 -8.284 1.00 22.56 O ATOM 2142 CB THR B 48 -12.782 4.495 -7.379 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.503 3.986 -7.029 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.789 3.348 -7.443 1.00 16.02 C ATOM 0 H THR B 48 -10.864 6.150 -8.262 1.00 16.86 H new ATOM 0 HA THR B 48 -13.020 4.483 -9.520 1.00 16.59 H new ATOM 0 HB THR B 48 -13.103 5.217 -6.628 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.605 3.109 -6.604 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.847 2.860 -6.470 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.770 3.740 -7.712 1.00 16.02 H new ATOM 0 HG23 THR B 48 -13.469 2.625 -8.193 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.800 6.267 -9.282 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.741 7.419 -9.317 1.00 18.82 C ATOM 2154 C LEU B 49 -16.891 7.145 -8.345 1.00 20.06 C ATOM 2155 O LEU B 49 -17.278 6.014 -8.133 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.285 7.592 -10.743 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.103 9.038 -11.195 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.061 9.943 -10.414 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.659 9.480 -10.938 1.00 14.50 C ATOM 0 H LEU B 49 -15.157 5.404 -9.691 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.226 8.334 -9.023 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.764 6.920 -11.425 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.341 7.322 -10.774 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.320 9.113 -12.261 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -16.931 10.976 -10.737 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.089 9.632 -10.600 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -16.846 9.867 -9.348 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.532 10.513 -11.262 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.439 9.404 -9.873 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.977 8.838 -11.496 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.430 8.167 -7.739 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.544 7.955 -6.771 1.00 27.04 C ATOM 2173 C ASP B 50 -19.879 7.897 -7.519 1.00 27.73 C ATOM 2174 O ASP B 50 -20.081 8.577 -8.505 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.572 9.111 -5.766 1.00 29.11 C ATOM 2176 CG ASP B 50 -17.850 8.691 -4.485 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -18.328 7.779 -3.830 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -16.831 9.288 -4.180 1.00 33.99 O ATOM 0 H ASP B 50 -17.148 9.138 -7.872 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.387 7.014 -6.243 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -18.092 9.991 -6.194 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.602 9.387 -5.542 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.792 7.086 -7.054 1.00 31.16 N ATOM 2184 CA GLU B 51 -22.115 6.980 -7.733 1.00 34.22 C ATOM 2185 C GLU B 51 -22.736 8.372 -7.867 1.00 34.98 C ATOM 2186 O GLU B 51 -22.983 9.048 -6.888 1.00 34.19 O ATOM 2187 CB GLU B 51 -23.043 6.088 -6.905 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.724 5.069 -7.820 1.00 46.84 C ATOM 2189 CD GLU B 51 -24.002 3.785 -7.036 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -23.840 3.805 -5.827 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -24.373 2.803 -7.659 1.00 53.83 O ATOM 0 H GLU B 51 -20.678 6.492 -6.233 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.979 6.546 -8.724 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -22.474 5.574 -6.130 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -23.793 6.696 -6.399 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -24.656 5.479 -8.209 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.088 4.853 -8.678 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.992 8.805 -9.071 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.600 10.152 -9.266 1.00 34.93 C ATOM 2200 C GLY B 52 -22.500 11.215 -9.297 1.00 36.10 C ATOM 2201 O GLY B 52 -22.717 12.334 -9.718 1.00 35.97 O ATOM 0 H GLY B 52 -22.806 8.284 -9.928 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.167 10.174 -10.197 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.302 10.365 -8.460 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.320 10.876 -8.855 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.210 11.869 -8.861 1.00 35.40 C ATOM 2207 C GLN B 53 -19.700 12.050 -10.294 1.00 31.02 C ATOM 2208 O GLN B 53 -19.679 11.111 -11.064 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.071 11.363 -7.974 1.00 41.20 C ATOM 2210 CG GLN B 53 -18.863 12.328 -6.804 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.385 12.716 -6.718 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -16.687 12.720 -7.713 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -16.876 13.045 -5.562 1.00 54.76 N ATOM 0 H GLN B 53 -21.077 9.955 -8.490 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.571 12.824 -8.479 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.304 10.366 -7.599 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.153 11.278 -8.556 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.476 13.219 -6.940 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.182 11.861 -5.872 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -17.462 13.042 -4.727 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -15.892 13.306 -5.493 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.305 13.257 -10.609 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.789 13.600 -11.945 1.00 23.44 C ATOM 2224 C PRO B 54 -17.341 13.124 -12.106 1.00 20.14 C ATOM 2225 O PRO B 54 -16.469 13.501 -11.349 1.00 21.64 O ATOM 2226 CB PRO B 54 -18.871 15.126 -11.983 1.00 24.39 C ATOM 2227 CG PRO B 54 -18.887 15.595 -10.514 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.334 14.391 -9.666 1.00 28.37 C ATOM 0 HA PRO B 54 -19.350 13.128 -12.752 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.019 15.548 -12.517 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -19.769 15.454 -12.506 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -17.899 15.938 -10.207 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.570 16.434 -10.384 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.663 14.226 -8.823 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.332 14.542 -9.254 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.086 12.295 -13.085 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.704 11.785 -13.308 1.00 15.58 C ATOM 2238 C ALA B 55 -14.679 12.893 -13.056 1.00 16.41 C ATOM 2239 O ALA B 55 -14.947 14.060 -13.261 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.582 11.311 -14.753 1.00 13.98 C ATOM 0 H ALA B 55 -17.783 11.948 -13.744 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.510 10.963 -12.619 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.574 10.935 -14.929 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.303 10.515 -14.937 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.781 12.144 -15.427 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.501 12.533 -12.622 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.455 13.561 -12.367 1.00 14.61 C ATOM 2248 C TYR B 56 -12.403 14.516 -13.562 1.00 15.51 C ATOM 2249 O TYR B 56 -11.918 14.176 -14.622 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.099 12.869 -12.171 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.164 12.018 -10.918 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.702 10.727 -10.981 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.714 12.529 -9.696 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.786 9.948 -9.822 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -10.801 11.750 -8.537 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.336 10.460 -8.600 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.422 9.693 -7.456 1.00 12.03 O ATOM 0 H TYR B 56 -13.219 11.571 -12.433 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.690 14.127 -11.466 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.862 12.250 -13.036 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.305 13.611 -12.083 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.052 10.333 -11.924 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.299 13.525 -9.647 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.198 8.951 -9.870 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.455 12.145 -7.594 1.00 7.90 H new ATOM 0 HH TYR B 56 -12.008 8.925 -7.620 1.00 12.03 H new ATOM 2267 N ALA B 57 -12.921 15.704 -13.401 1.00 13.38 N ATOM 2268 CA ALA B 57 -12.926 16.684 -14.527 1.00 14.95 C ATOM 2269 C ALA B 57 -11.492 16.959 -14.993 1.00 15.46 C ATOM 2270 O ALA B 57 -10.548 16.451 -14.422 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.567 17.990 -14.053 1.00 14.98 C ATOM 0 H ALA B 57 -13.343 16.040 -12.535 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.496 16.272 -15.360 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.574 18.710 -14.871 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.590 17.797 -13.731 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -12.994 18.394 -13.218 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.378 17.761 -16.025 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.075 18.133 -16.603 1.00 16.55 C ATOM 2279 C PRO B 58 -9.397 19.197 -15.740 1.00 16.75 C ATOM 2280 O PRO B 58 -9.831 20.331 -15.678 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.440 18.693 -17.981 1.00 15.65 C ATOM 2282 CG PRO B 58 -11.921 19.132 -17.897 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.538 18.371 -16.708 1.00 13.96 C ATOM 0 HA PRO B 58 -9.375 17.299 -16.662 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -9.799 19.536 -18.239 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.302 17.939 -18.756 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -11.998 20.209 -17.750 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.448 18.898 -18.822 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.082 19.043 -16.045 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.246 17.613 -17.044 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.337 18.840 -15.069 1.00 17.22 N ATOM 2292 CA GLY B 59 -7.635 19.831 -14.207 1.00 15.08 C ATOM 2293 C GLY B 59 -6.531 19.130 -13.415 1.00 14.96 C ATOM 2294 O GLY B 59 -6.622 17.960 -13.122 1.00 13.79 O ATOM 0 H GLY B 59 -7.927 17.906 -15.080 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.209 20.624 -14.821 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.343 20.301 -13.525 1.00 15.08 H new ATOM 2298 N LEU B 60 -5.489 19.833 -13.060 1.00 15.83 N ATOM 2299 CA LEU B 60 -4.396 19.189 -12.276 1.00 14.53 C ATOM 2300 C LEU B 60 -5.014 18.438 -11.099 1.00 14.15 C ATOM 2301 O LEU B 60 -6.055 18.815 -10.598 1.00 13.27 O ATOM 2302 CB LEU B 60 -3.441 20.263 -11.755 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.234 20.360 -12.686 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.650 21.042 -13.992 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -1.132 21.178 -12.009 1.00 15.01 C ATOM 0 H LEU B 60 -5.348 20.819 -13.277 1.00 15.83 H new ATOM 0 HA LEU B 60 -3.842 18.495 -12.909 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -3.951 21.225 -11.701 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.116 20.018 -10.744 1.00 15.84 H new ATOM 0 HG LEU B 60 -1.861 19.359 -12.903 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -1.789 21.111 -14.657 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -3.434 20.458 -14.474 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -3.024 22.043 -13.777 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -0.270 21.247 -12.673 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -1.504 22.179 -11.791 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -0.836 20.691 -11.080 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.403 17.375 -10.652 1.00 11.12 N ATOM 2318 CA TYR B 61 -4.999 16.626 -9.517 1.00 9.57 C ATOM 2319 C TYR B 61 -3.992 16.397 -8.411 1.00 11.76 C ATOM 2320 O TYR B 61 -2.796 16.502 -8.591 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.526 15.279 -10.001 1.00 9.42 C ATOM 2322 CG TYR B 61 -6.932 15.489 -10.485 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.162 15.867 -11.809 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.002 15.343 -9.598 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -8.466 16.097 -12.250 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.306 15.577 -10.036 1.00 13.99 C ATOM 2327 CZ TYR B 61 -9.536 15.954 -11.362 1.00 11.06 C ATOM 2328 OH TYR B 61 -10.826 16.183 -11.799 1.00 14.61 O ATOM 0 H TYR B 61 -3.529 16.999 -11.019 1.00 11.12 H new ATOM 0 HA TYR B 61 -5.817 17.227 -9.119 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -4.899 14.888 -10.803 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.504 14.547 -9.194 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.332 15.981 -12.491 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -7.820 15.049 -8.575 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -8.648 16.385 -13.275 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.135 15.467 -9.352 1.00 13.99 H new ATOM 0 HH TYR B 61 -10.802 16.658 -12.656 1.00 14.61 H new ATOM 2338 N THR B 62 -4.497 16.052 -7.272 1.00 12.22 N ATOM 2339 CA THR B 62 -3.641 15.761 -6.110 1.00 14.26 C ATOM 2340 C THR B 62 -4.354 14.693 -5.308 1.00 15.40 C ATOM 2341 O THR B 62 -5.465 14.882 -4.854 1.00 16.24 O ATOM 2342 CB THR B 62 -3.455 17.010 -5.264 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.704 17.391 -4.701 1.00 18.36 O ATOM 2344 CG2 THR B 62 -2.922 18.135 -6.146 1.00 11.61 C ATOM 0 H THR B 62 -5.497 15.958 -7.095 1.00 12.22 H new ATOM 0 HA THR B 62 -2.653 15.427 -6.426 1.00 14.26 H new ATOM 0 HB THR B 62 -2.746 16.810 -4.460 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.190 16.591 -4.411 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.786 19.035 -5.546 1.00 11.61 H new ATOM 0 HG22 THR B 62 -1.966 17.838 -6.576 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.633 18.337 -6.947 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.751 13.565 -5.154 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.436 12.486 -4.407 1.00 15.17 C ATOM 2354 C VAL B 63 -4.875 13.026 -3.054 1.00 14.24 C ATOM 2355 O VAL B 63 -4.509 14.115 -2.658 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.517 11.283 -4.227 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.344 10.091 -3.747 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.861 10.931 -5.568 1.00 18.64 C ATOM 0 H VAL B 63 -2.821 13.339 -5.507 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.308 12.155 -4.971 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.745 11.521 -3.496 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.694 9.226 -3.616 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.818 10.336 -2.797 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.111 9.859 -4.486 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.204 10.071 -5.437 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.633 10.690 -6.299 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.279 11.781 -5.922 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.665 12.281 -2.350 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.143 12.753 -1.027 1.00 10.78 C ATOM 2370 C HIS B 64 -5.868 11.670 0.019 1.00 14.19 C ATOM 2371 O HIS B 64 -6.342 10.551 -0.091 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.643 13.041 -1.107 1.00 11.86 C ATOM 2373 CG HIS B 64 -8.015 14.071 -0.078 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.378 14.150 1.150 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.975 15.052 -0.068 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.963 15.137 1.848 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.942 15.724 1.152 1.00 20.65 N ATOM 0 H HIS B 64 -6.004 11.361 -2.632 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.621 13.666 -0.743 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.902 13.398 -2.104 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.209 12.124 -0.940 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.652 15.270 -0.881 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.677 15.422 2.850 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.537 16.497 1.450 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.091 11.993 1.023 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.755 10.995 2.077 1.00 14.44 C ATOM 2387 C LEU B 65 -6.018 10.602 2.844 1.00 12.66 C ATOM 2388 O LEU B 65 -6.007 9.682 3.638 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.673 11.605 2.999 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.130 11.740 4.464 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -3.153 10.998 5.372 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -4.162 13.222 4.848 1.00 19.03 C ATOM 0 H LEU B 65 -4.673 12.914 1.156 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.357 10.082 1.635 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -2.779 10.983 2.960 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.394 12.588 2.620 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.126 11.312 4.578 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -3.476 11.093 6.409 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -3.128 9.944 5.095 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -2.157 11.426 5.261 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.485 13.322 5.884 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -3.165 13.649 4.736 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -4.859 13.751 4.198 1.00 19.03 H new ATOM 2404 N SER B 66 -7.110 11.274 2.612 1.00 13.51 N ATOM 2405 CA SER B 66 -8.358 10.911 3.328 1.00 10.39 C ATOM 2406 C SER B 66 -8.599 9.412 3.147 1.00 8.56 C ATOM 2407 O SER B 66 -9.360 8.798 3.869 1.00 11.70 O ATOM 2408 CB SER B 66 -9.532 11.694 2.740 1.00 12.88 C ATOM 2409 OG SER B 66 -9.764 11.262 1.406 1.00 14.72 O ATOM 0 H SER B 66 -7.190 12.055 1.960 1.00 13.51 H new ATOM 0 HA SER B 66 -8.267 11.151 4.387 1.00 10.39 H new ATOM 0 HB2 SER B 66 -10.426 11.540 3.345 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.316 12.762 2.756 1.00 12.88 H new ATOM 0 HG SER B 66 -10.517 11.761 1.027 1.00 14.72 H new ATOM 2415 N SER B 67 -7.957 8.822 2.170 1.00 7.98 N ATOM 2416 CA SER B 67 -8.145 7.368 1.913 1.00 8.20 C ATOM 2417 C SER B 67 -7.039 6.547 2.593 1.00 11.02 C ATOM 2418 O SER B 67 -7.077 5.332 2.587 1.00 11.45 O ATOM 2419 CB SER B 67 -8.103 7.114 0.406 1.00 8.01 C ATOM 2420 OG SER B 67 -8.815 8.146 -0.263 1.00 11.22 O ATOM 0 H SER B 67 -7.308 9.291 1.538 1.00 7.98 H new ATOM 0 HA SER B 67 -9.109 7.063 2.321 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.070 7.085 0.059 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.544 6.144 0.176 1.00 8.01 H new ATOM 0 HG SER B 67 -9.373 7.755 -0.968 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.048 7.182 3.164 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.951 6.403 3.816 1.00 11.79 C ATOM 2428 C PHE B 68 -5.334 6.064 5.258 1.00 12.69 C ATOM 2429 O PHE B 68 -6.241 6.637 5.827 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.651 7.218 3.823 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.388 7.818 2.457 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.135 7.412 1.340 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.405 8.801 2.318 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.894 7.992 0.092 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.167 9.382 1.070 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.912 8.978 -0.042 1.00 11.87 C ATOM 0 H PHE B 68 -5.950 8.196 3.208 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.800 5.484 3.250 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.717 8.011 4.568 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.817 6.579 4.112 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.895 6.652 1.445 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.828 9.112 3.176 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.466 7.679 -0.769 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.408 10.143 0.964 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.729 9.428 -1.006 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.635 5.136 5.850 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.930 4.745 7.256 1.00 15.38 C ATOM 2448 C LYS B 69 -3.696 4.066 7.848 1.00 15.02 C ATOM 2449 O LYS B 69 -2.690 3.901 7.186 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.109 3.770 7.288 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.411 4.544 7.504 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.417 4.169 6.414 1.00 21.35 C ATOM 2453 CE LYS B 69 -9.098 2.847 6.776 1.00 30.24 C ATOM 2454 NZ LYS B 69 -9.851 3.009 8.051 1.00 32.70 N ATOM 0 H LYS B 69 -3.865 4.627 5.415 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.185 5.632 7.836 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.157 3.211 6.353 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -5.970 3.042 8.087 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.823 4.316 8.487 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -7.217 5.616 7.481 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -9.163 4.957 6.307 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -7.910 4.077 5.453 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -9.775 2.544 5.977 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -8.353 2.058 6.879 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -10.654 2.348 8.066 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -9.221 2.808 8.854 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -10.204 3.984 8.124 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.762 3.670 9.085 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.587 3.000 9.713 1.00 13.49 C ATOM 2470 C VAL B 70 -2.976 1.583 10.137 1.00 11.85 C ATOM 2471 O VAL B 70 -3.808 1.388 11.000 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.122 3.785 10.940 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.597 3.715 11.038 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -2.560 5.248 10.824 1.00 15.63 C ATOM 0 H VAL B 70 -4.576 3.780 9.690 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.774 2.960 8.988 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.569 3.350 11.834 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.263 4.274 11.912 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.286 2.675 11.132 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.155 4.147 10.140 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.224 5.799 11.702 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.121 5.689 9.929 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -3.647 5.298 10.758 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.378 0.591 9.536 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.710 -0.814 9.904 1.00 11.07 C ATOM 2486 C GLY B 71 -2.077 -1.151 11.255 1.00 12.15 C ATOM 2487 O GLY B 71 -1.603 -0.283 11.961 1.00 12.70 O ATOM 0 H GLY B 71 -1.673 0.693 8.806 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.791 -0.942 9.955 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.344 -1.498 9.138 1.00 11.07 H new ATOM 2491 N GLN B 72 -2.062 -2.403 11.622 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.458 -2.788 12.925 1.00 19.42 C ATOM 2493 C GLN B 72 0.036 -3.048 12.737 1.00 16.97 C ATOM 2494 O GLN B 72 0.595 -3.965 13.306 1.00 20.46 O ATOM 2495 CB GLN B 72 -2.137 -4.055 13.451 1.00 22.64 C ATOM 2496 CG GLN B 72 -3.459 -3.683 14.123 1.00 25.29 C ATOM 2497 CD GLN B 72 -4.308 -2.856 13.156 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -5.219 -3.368 12.538 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -4.045 -1.587 12.999 1.00 25.15 N ATOM 0 H GLN B 72 -2.442 -3.175 11.074 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.598 -1.979 13.642 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -2.316 -4.751 12.632 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -1.485 -4.561 14.163 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -3.997 -4.585 14.416 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -3.269 -3.115 15.034 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -3.280 -1.157 13.518 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -4.605 -1.026 12.357 1.00 25.15 H new ATOM 2508 N PHE B 73 0.687 -2.247 11.941 1.00 14.56 N ATOM 2509 CA PHE B 73 2.145 -2.443 11.713 1.00 14.60 C ATOM 2510 C PHE B 73 2.861 -1.095 11.818 1.00 15.63 C ATOM 2511 O PHE B 73 3.891 -0.879 11.212 1.00 17.80 O ATOM 2512 CB PHE B 73 2.367 -3.035 10.319 1.00 12.63 C ATOM 2513 CG PHE B 73 1.532 -4.284 10.163 1.00 14.99 C ATOM 2514 CD1 PHE B 73 0.155 -4.180 9.929 1.00 16.27 C ATOM 2515 CD2 PHE B 73 2.133 -5.545 10.255 1.00 19.79 C ATOM 2516 CE1 PHE B 73 -0.619 -5.338 9.785 1.00 20.44 C ATOM 2517 CE2 PHE B 73 1.358 -6.702 10.111 1.00 18.68 C ATOM 2518 CZ PHE B 73 -0.018 -6.598 9.877 1.00 17.88 C ATOM 0 H PHE B 73 0.271 -1.463 11.438 1.00 14.56 H new ATOM 0 HA PHE B 73 2.544 -3.125 12.464 1.00 14.60 H new ATOM 0 HB2 PHE B 73 2.096 -2.306 9.555 1.00 12.63 H new ATOM 0 HB3 PHE B 73 3.422 -3.270 10.176 1.00 12.63 H new ATOM 0 HD1 PHE B 73 -0.309 -3.207 9.860 1.00 16.27 H new ATOM 0 HD2 PHE B 73 3.195 -5.625 10.437 1.00 19.79 H new ATOM 0 HE1 PHE B 73 -1.681 -5.258 9.603 1.00 20.44 H new ATOM 0 HE2 PHE B 73 1.822 -7.675 10.180 1.00 18.68 H new ATOM 0 HZ PHE B 73 -0.616 -7.491 9.767 1.00 17.88 H new ATOM 2528 N GLY B 74 2.321 -0.187 12.585 1.00 13.82 N ATOM 2529 CA GLY B 74 2.969 1.147 12.731 1.00 13.44 C ATOM 2530 C GLY B 74 3.410 1.657 11.358 1.00 10.42 C ATOM 2531 O GLY B 74 4.533 2.083 11.176 1.00 13.62 O ATOM 0 H GLY B 74 1.459 -0.312 13.117 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.274 1.852 13.186 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.829 1.074 13.396 1.00 13.44 H new ATOM 2535 N SER B 75 2.536 1.617 10.390 1.00 12.64 N ATOM 2536 CA SER B 75 2.910 2.100 9.031 1.00 12.47 C ATOM 2537 C SER B 75 1.674 2.660 8.325 1.00 12.47 C ATOM 2538 O SER B 75 0.573 2.176 8.499 1.00 11.32 O ATOM 2539 CB SER B 75 3.475 0.936 8.215 1.00 11.21 C ATOM 2540 OG SER B 75 3.449 -0.246 9.004 1.00 18.27 O ATOM 0 H SER B 75 1.581 1.271 10.481 1.00 12.64 H new ATOM 0 HA SER B 75 3.662 2.884 9.121 1.00 12.47 H new ATOM 0 HB2 SER B 75 2.888 0.794 7.307 1.00 11.21 H new ATOM 0 HB3 SER B 75 4.496 1.157 7.903 1.00 11.21 H new ATOM 0 HG SER B 75 4.105 -0.170 9.728 1.00 18.27 H new ATOM 2546 N LEU B 76 1.849 3.676 7.524 1.00 12.43 N ATOM 2547 CA LEU B 76 0.687 4.265 6.801 1.00 12.18 C ATOM 2548 C LEU B 76 0.501 3.531 5.472 1.00 12.07 C ATOM 2549 O LEU B 76 1.447 3.048 4.882 1.00 9.82 O ATOM 2550 CB LEU B 76 0.954 5.749 6.535 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.350 6.444 6.143 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.579 7.651 7.056 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.257 6.913 4.689 1.00 7.80 C ATOM 0 H LEU B 76 2.747 4.123 7.339 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.215 4.163 7.405 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.374 6.218 7.425 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.690 5.859 5.739 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.181 5.747 6.249 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.509 8.147 6.777 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.643 7.317 8.092 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.251 8.350 6.950 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.186 7.409 4.407 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.574 7.611 4.584 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.093 6.053 4.039 1.00 7.80 H new ATOM 2565 N MET B 77 -0.710 3.440 4.994 1.00 14.08 N ATOM 2566 CA MET B 77 -0.946 2.732 3.704 1.00 14.12 C ATOM 2567 C MET B 77 -2.258 3.218 3.087 1.00 11.37 C ATOM 2568 O MET B 77 -3.247 3.402 3.768 1.00 11.44 O ATOM 2569 CB MET B 77 -1.027 1.225 3.956 1.00 16.48 C ATOM 2570 CG MET B 77 0.199 0.773 4.751 1.00 24.75 C ATOM 2571 SD MET B 77 0.176 -1.029 4.924 1.00 35.11 S ATOM 2572 CE MET B 77 -0.931 -1.106 6.354 1.00 33.86 C ATOM 0 H MET B 77 -1.544 3.824 5.439 1.00 14.08 H new ATOM 0 HA MET B 77 -0.124 2.942 3.019 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.938 0.986 4.505 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.076 0.689 3.008 1.00 16.48 H new ATOM 0 HG2 MET B 77 1.111 1.089 4.244 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.202 1.243 5.734 1.00 24.75 H new ATOM 0 HE1 MET B 77 -1.031 -2.141 6.682 1.00 33.86 H new ATOM 0 HE2 MET B 77 -0.519 -0.506 7.166 1.00 33.86 H new ATOM 0 HE3 MET B 77 -1.911 -0.717 6.077 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.271 3.432 1.801 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.514 3.910 1.134 1.00 11.62 C ATOM 2584 C ILE B 78 -4.563 2.795 1.113 1.00 11.45 C ATOM 2585 O ILE B 78 -4.260 1.646 0.858 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.204 4.301 -0.306 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.194 5.451 -0.333 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.495 4.731 -1.004 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.933 5.001 -1.073 1.00 13.67 C ATOM 0 H ILE B 78 -1.472 3.296 1.182 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.896 4.768 1.687 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.776 3.444 -0.826 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.629 6.320 -0.827 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.944 5.754 0.684 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.276 5.011 -2.034 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.206 3.904 -0.996 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.925 5.584 -0.480 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.212 5.818 -1.094 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.496 4.145 -0.560 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.191 4.719 -2.094 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.798 3.135 1.352 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.884 2.112 1.318 1.00 14.79 C ATOM 2603 C ASP B 79 -7.707 2.333 0.047 1.00 15.20 C ATOM 2604 O ASP B 79 -8.321 1.431 -0.487 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.782 2.267 2.548 1.00 12.21 C ATOM 2606 CG ASP B 79 -7.761 0.974 3.365 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -6.693 0.605 3.825 1.00 21.87 O ATOM 2608 OD2 ASP B 79 -8.813 0.375 3.517 1.00 24.06 O ATOM 0 H ASP B 79 -6.105 4.083 1.571 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.457 1.109 1.323 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.438 3.101 3.159 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.802 2.498 2.240 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.696 3.540 -0.438 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.438 3.889 -1.679 1.00 17.14 C ATOM 2615 C ARG B 80 -8.196 5.369 -1.947 1.00 14.98 C ATOM 2616 O ARG B 80 -9.074 6.201 -1.825 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.934 3.613 -1.503 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.707 4.220 -2.675 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.651 3.170 -3.265 1.00 28.43 C ATOM 2620 NE ARG B 80 -13.064 3.602 -3.065 1.00 33.10 N ATOM 2621 CZ ARG B 80 -14.027 3.033 -3.741 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -13.756 2.084 -4.595 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -15.262 3.414 -3.560 1.00 35.04 N ATOM 0 H ARG B 80 -7.191 4.319 -0.016 1.00 17.08 H new ATOM 0 HA ARG B 80 -8.092 3.285 -2.518 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -10.113 2.539 -1.453 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.285 4.039 -0.563 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.276 5.087 -2.339 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -10.013 4.570 -3.439 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -11.447 3.038 -4.328 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.483 2.205 -2.786 1.00 28.43 H new ATOM 0 HE ARG B 80 -13.280 4.344 -2.399 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -12.791 1.785 -4.736 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -14.509 1.641 -5.121 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -15.474 4.155 -2.892 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -16.015 2.971 -4.087 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.982 5.681 -2.279 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.571 7.086 -2.535 1.00 11.27 C ATOM 2639 C LEU B 81 -7.711 7.904 -3.155 1.00 15.61 C ATOM 2640 O LEU B 81 -8.200 7.607 -4.226 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.338 7.070 -3.444 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.742 7.212 -4.909 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.479 7.299 -5.769 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.561 5.984 -5.327 1.00 18.72 C ATOM 0 H LEU B 81 -6.231 4.999 -2.388 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.325 7.570 -1.590 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.666 7.882 -3.167 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.788 6.139 -3.302 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.341 8.113 -5.044 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.759 7.401 -6.817 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.891 8.165 -5.465 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.886 6.394 -5.638 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.853 6.080 -6.373 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.959 5.084 -5.199 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.454 5.914 -4.706 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.117 8.952 -2.489 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.198 9.814 -3.035 1.00 12.72 C ATOM 2658 C ARG B 82 -8.547 10.921 -3.858 1.00 13.33 C ATOM 2659 O ARG B 82 -7.842 11.759 -3.336 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.995 10.431 -1.884 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.367 9.760 -1.794 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.463 10.822 -1.890 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.280 10.808 -0.644 1.00 15.85 N ATOM 2664 CZ ARG B 82 -14.066 11.813 -0.364 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.134 12.839 -1.169 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.782 11.794 0.727 1.00 16.89 N ATOM 0 H ARG B 82 -7.743 9.247 -1.587 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.875 9.227 -3.655 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.455 10.305 -0.946 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -10.113 11.503 -2.043 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.481 9.032 -2.597 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.456 9.215 -0.854 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.018 11.807 -2.035 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -13.097 10.628 -2.755 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.225 10.012 -0.008 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.572 12.858 -2.020 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -14.749 13.622 -0.947 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -14.727 10.995 1.359 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -15.396 12.578 0.948 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.747 10.919 -5.143 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.103 11.965 -5.986 1.00 13.86 C ATOM 2682 C LEU B 83 -8.914 13.257 -5.968 1.00 13.02 C ATOM 2683 O LEU B 83 -10.123 13.256 -5.845 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.978 11.475 -7.425 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.520 11.566 -7.875 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.440 11.309 -9.383 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -5.982 12.967 -7.570 1.00 10.58 C ATOM 0 H LEU B 83 -9.324 10.244 -5.646 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.113 12.163 -5.575 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.329 10.446 -7.501 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.609 12.076 -8.080 1.00 9.93 H new ATOM 0 HG LEU B 83 -5.925 10.823 -7.344 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.402 11.373 -9.708 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -6.829 10.315 -9.604 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.032 12.056 -9.911 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -4.942 13.035 -7.890 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.575 13.709 -8.104 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.045 13.156 -6.498 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.236 14.362 -6.095 1.00 11.81 N ATOM 2700 CA VAL B 84 -8.908 15.679 -6.096 1.00 12.86 C ATOM 2701 C VAL B 84 -8.071 16.637 -6.951 1.00 14.98 C ATOM 2702 O VAL B 84 -6.868 16.492 -7.027 1.00 13.59 O ATOM 2703 CB VAL B 84 -8.979 16.183 -4.656 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.763 15.184 -3.803 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.559 16.327 -4.098 1.00 17.34 C ATOM 0 H VAL B 84 -7.222 14.403 -6.200 1.00 11.81 H new ATOM 0 HA VAL B 84 -9.917 15.611 -6.504 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.480 17.151 -4.633 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.813 15.544 -2.775 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.772 15.079 -4.201 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.262 14.216 -3.824 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.607 16.687 -3.070 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.059 15.359 -4.121 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.000 17.038 -4.706 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.719 17.589 -7.567 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.037 18.578 -8.420 1.00 22.41 C ATOM 2717 C PRO B 85 -7.027 19.392 -7.601 1.00 25.70 C ATOM 2718 O PRO B 85 -7.269 19.738 -6.462 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.179 19.428 -8.981 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.372 19.199 -8.039 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.171 17.790 -7.456 1.00 20.63 C ATOM 0 HA PRO B 85 -7.446 18.133 -9.221 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -8.903 20.482 -9.013 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.423 19.131 -10.001 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.398 19.950 -7.250 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.317 19.270 -8.578 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.509 17.730 -6.421 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.726 17.038 -8.017 1.00 20.63 H new ATOM 2729 N ALA B 86 -5.883 19.678 -8.170 1.00 31.74 N ATOM 2730 CA ALA B 86 -4.839 20.442 -7.429 1.00 39.94 C ATOM 2731 C ALA B 86 -5.343 21.859 -7.146 1.00 46.96 C ATOM 2732 O ALA B 86 -5.606 22.627 -8.050 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.564 20.507 -8.277 1.00 39.70 C ATOM 0 H ALA B 86 -5.628 19.413 -9.121 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.623 19.944 -6.484 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -2.797 21.065 -7.739 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.206 19.496 -8.474 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -3.780 21.006 -9.222 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.480 22.211 -5.897 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.967 23.577 -5.558 1.00 55.12 C ATOM 2741 C LYS B 87 -7.244 23.874 -6.347 1.00 55.82 C ATOM 2742 O LYS B 87 -7.395 25.000 -6.790 1.00 58.05 O ATOM 2743 CB LYS B 87 -4.894 24.606 -5.920 1.00 52.96 C ATOM 2744 CG LYS B 87 -3.700 24.453 -4.975 1.00 55.49 C ATOM 2745 CD LYS B 87 -4.116 24.852 -3.558 1.00 56.64 C ATOM 2746 CE LYS B 87 -3.812 23.703 -2.594 1.00 58.91 C ATOM 2747 NZ LYS B 87 -3.849 24.207 -1.192 1.00 58.16 N ATOM 2748 OXT LYS B 87 -8.049 22.969 -6.495 1.00 57.66 O ATOM 0 H LYS B 87 -5.276 21.612 -5.097 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.178 23.632 -4.490 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -4.574 24.466 -6.953 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -5.302 25.614 -5.847 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -3.345 23.423 -4.985 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -2.873 25.078 -5.312 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -3.581 25.750 -3.250 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -5.179 25.090 -3.533 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -4.541 22.903 -2.723 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -2.832 23.280 -2.814 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -3.642 23.426 -0.537 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -3.137 24.956 -1.073 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -4.793 24.591 -0.986 1.00 58.16 H new