USER MOD reduce.3.24.130724 H: found=0, std=0, add=1150, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1150 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 29 ASN : amide:sc= -0.884 K(o=-0.88,f=-0.00068) USER MOD Set 1.2: B 47 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 31 GLN : amide:sc= 0 X(o=-0.043,f=-0.043) USER MOD Set 2.2: B 31 GLN : amide:sc= -0.0425 X(o=-0.043,f=-0.16) USER MOD Single : A 17 GLN : amide:sc= -0.539 K(o=-0.54,f=-4.3!) USER MOD Single : A 18 THR OG1 : rot -134:sc= -2.86! USER MOD Single : A 19 THR OG1 : rot 92:sc= 0.296 USER MOD Single : A 20 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.8!) USER MOD Single : A 23 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -127:sc= -0.156 (180deg=-1.21) USER MOD Single : A 28 SER OG : rot -90:sc= -0.244 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=0.59) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -36:sc= 0.309 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= -0.0248 (180deg=-0.192) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= -0.0122 (180deg=-0.159) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.1!) USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= -0.0381 (180deg=-0.337) USER MOD Single : A 78 ASN : amide:sc= -0.98 K(o=-0.98,f=-0.0064) USER MOD Single : B 17 GLN : amide:sc= -0.545 K(o=-0.54,f=-4.2!) USER MOD Single : B 18 THR OG1 : rot 59:sc= -2.91! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.311 USER MOD Single : B 20 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : B 23 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl -144:sc=-0.00331 (180deg=-0.378) USER MOD Single : B 28 SER OG : rot -130:sc= 0 USER MOD Single : B 38 GLN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : B 40 SER OG : rot -49:sc= 0.252 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 168:sc= -0.0307 (180deg=-0.213) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 169:sc=-0.00832 (180deg=-0.13) USER MOD Single : B 68 GLN : amide:sc=-0.00889 X(o=-0.0089,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 ASN : amide:sc= -0.0336 K(o=-0.034,f=-1.1) USER MOD Single : B 76 LYS NZ :NH3+ 164:sc= -0.0169 (180deg=-0.248) USER MOD Single : B 78 ASN : amide:sc= -0.89 K(o=-0.89,f=-0.0093) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.711 -19.127 15.233 1.00 0.81 N ATOM 2 CA LEU A 8 -8.304 -19.585 13.957 1.00 0.78 C ATOM 3 C LEU A 8 -9.773 -20.008 14.178 1.00 0.78 C ATOM 4 O LEU A 8 -10.096 -21.155 14.485 1.00 0.80 O ATOM 5 CB LEU A 8 -7.446 -20.726 13.378 1.00 0.80 C ATOM 6 CG LEU A 8 -7.836 -21.207 11.968 1.00 0.78 C ATOM 7 CD1 LEU A 8 -6.621 -21.868 11.318 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.951 -22.259 11.967 1.00 0.78 C ATOM 0 HA LEU A 8 -8.312 -18.772 13.231 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -6.407 -20.398 13.355 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -7.498 -21.576 14.059 1.00 0.80 H new ATOM 0 HG LEU A 8 -8.187 -20.325 11.432 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.886 -22.213 10.318 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.807 -21.146 11.249 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -6.302 -22.717 11.922 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -9.174 -22.552 10.941 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -8.627 -23.133 12.531 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.846 -21.841 12.428 1.00 0.78 H new ATOM 20 N ARG A 9 -10.610 -18.986 14.242 1.00 0.76 N ATOM 21 CA ARG A 9 -12.056 -19.186 14.452 1.00 0.76 C ATOM 22 C ARG A 9 -12.881 -18.377 13.452 1.00 0.72 C ATOM 23 O ARG A 9 -13.555 -18.938 12.593 1.00 0.71 O ATOM 24 CB ARG A 9 -12.462 -18.935 15.917 1.00 0.79 C ATOM 25 CG ARG A 9 -12.116 -17.536 16.435 1.00 0.78 C ATOM 26 CD ARG A 9 -12.725 -17.274 17.809 1.00 0.82 C ATOM 27 NE ARG A 9 -12.437 -15.885 18.214 1.00 0.81 N ATOM 28 CZ ARG A 9 -11.272 -15.405 18.655 1.00 0.83 C ATOM 29 NH1 ARG A 9 -10.196 -16.176 18.768 1.00 0.84 N ATOM 30 NH2 ARG A 9 -11.182 -14.137 19.033 1.00 0.83 N ATOM 0 H ARG A 9 -10.327 -18.010 14.153 1.00 0.76 H new ATOM 0 HA ARG A 9 -12.280 -20.235 14.257 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -13.536 -19.091 16.016 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.973 -19.675 16.550 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -11.033 -17.427 16.491 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -12.476 -16.788 15.729 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.802 -17.440 17.780 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -12.315 -17.971 18.540 1.00 0.82 H new ATOM 0 HE ARG A 9 -13.209 -15.222 18.150 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -10.247 -17.163 18.515 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -9.319 -15.781 19.108 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -12.002 -13.532 18.986 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -10.293 -13.767 19.370 1.00 0.83 H new ATOM 44 N GLU A 10 -12.776 -17.049 13.557 1.00 0.70 N ATOM 45 CA GLU A 10 -13.584 -16.097 12.786 1.00 0.67 C ATOM 46 C GLU A 10 -12.828 -14.782 12.600 1.00 0.65 C ATOM 47 O GLU A 10 -12.428 -14.137 13.570 1.00 0.67 O ATOM 48 CB GLU A 10 -14.897 -15.807 13.522 1.00 0.69 C ATOM 49 CG GLU A 10 -15.804 -17.038 13.626 1.00 0.71 C ATOM 50 CD GLU A 10 -17.146 -16.753 14.302 1.00 0.73 C ATOM 51 OE1 GLU A 10 -17.606 -15.592 14.214 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.696 -17.714 14.877 1.00 0.76 O ATOM 0 H GLU A 10 -12.117 -16.597 14.190 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.792 -16.539 11.812 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.673 -15.441 14.524 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -15.431 -15.011 13.003 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.986 -17.430 12.626 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -15.284 -17.817 14.184 1.00 0.71 H new ATOM 59 N LEU A 11 -12.522 -14.516 11.343 1.00 0.62 N ATOM 60 CA LEU A 11 -11.815 -13.290 10.938 1.00 0.60 C ATOM 61 C LEU A 11 -12.606 -12.556 9.854 1.00 0.57 C ATOM 62 O LEU A 11 -13.164 -13.175 8.946 1.00 0.56 O ATOM 63 CB LEU A 11 -10.424 -13.652 10.423 1.00 0.60 C ATOM 64 CG LEU A 11 -9.565 -14.278 11.523 1.00 0.63 C ATOM 65 CD1 LEU A 11 -9.033 -15.634 11.059 1.00 0.65 C ATOM 66 CD2 LEU A 11 -8.426 -13.336 11.909 1.00 0.64 C ATOM 0 H LEU A 11 -12.751 -15.136 10.566 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.718 -12.630 11.800 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -10.513 -14.348 9.589 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.932 -12.758 10.040 1.00 0.60 H new ATOM 0 HG LEU A 11 -10.178 -14.438 12.410 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -8.422 -16.074 11.847 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.870 -16.296 10.836 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -8.427 -15.500 10.163 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.824 -13.795 12.693 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.801 -13.144 11.037 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.839 -12.396 12.273 1.00 0.64 H new ATOM 78 N ARG A 12 -12.612 -11.243 9.987 1.00 0.56 N ATOM 79 CA ARG A 12 -13.384 -10.357 9.096 1.00 0.54 C ATOM 80 C ARG A 12 -12.411 -9.656 8.155 1.00 0.51 C ATOM 81 O ARG A 12 -11.282 -9.341 8.538 1.00 0.51 O ATOM 82 CB ARG A 12 -14.132 -9.305 9.933 1.00 0.55 C ATOM 83 CG ARG A 12 -14.838 -9.850 11.184 1.00 0.59 C ATOM 84 CD ARG A 12 -15.718 -11.054 10.844 1.00 0.59 C ATOM 85 NE ARG A 12 -16.499 -11.493 12.000 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.809 -11.290 12.057 1.00 0.65 C ATOM 87 NH1 ARG A 12 -18.293 -10.117 12.439 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.632 -12.298 11.826 1.00 0.66 N ATOM 0 H ARG A 12 -12.088 -10.749 10.709 1.00 0.56 H new ATOM 0 HA ARG A 12 -14.109 -10.939 8.527 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -13.423 -8.537 10.241 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.873 -8.819 9.299 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -14.095 -10.138 11.927 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -15.448 -9.065 11.631 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -16.391 -10.794 10.027 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -15.093 -11.875 10.493 1.00 0.59 H new ATOM 0 HE ARG A 12 -16.029 -11.962 12.774 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.657 -9.361 12.692 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -19.302 -9.970 12.480 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -18.258 -13.221 11.606 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.641 -12.153 11.867 1.00 0.66 H new ATOM 102 N CYS A 13 -12.864 -9.403 6.930 1.00 0.49 N ATOM 103 CA CYS A 13 -12.090 -8.598 5.970 1.00 0.47 C ATOM 104 C CYS A 13 -11.739 -7.235 6.592 1.00 0.47 C ATOM 105 O CYS A 13 -12.465 -6.728 7.446 1.00 0.48 O ATOM 106 CB CYS A 13 -12.918 -8.382 4.703 1.00 0.47 C ATOM 107 SG CYS A 13 -13.013 -9.844 3.603 1.00 0.48 S ATOM 0 H CYS A 13 -13.758 -9.739 6.573 1.00 0.49 H new ATOM 0 HA CYS A 13 -11.169 -9.125 5.720 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.929 -8.092 4.989 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.493 -7.549 4.144 1.00 0.47 H new ATOM 112 N VAL A 14 -10.614 -6.670 6.156 1.00 0.45 N ATOM 113 CA VAL A 14 -10.181 -5.333 6.636 1.00 0.45 C ATOM 114 C VAL A 14 -11.229 -4.245 6.306 1.00 0.44 C ATOM 115 O VAL A 14 -11.381 -3.261 7.022 1.00 0.45 O ATOM 116 CB VAL A 14 -8.755 -4.986 6.140 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.611 -4.817 4.625 1.00 0.43 C ATOM 118 CG2 VAL A 14 -8.200 -3.738 6.826 1.00 0.45 C ATOM 0 H VAL A 14 -9.984 -7.101 5.479 1.00 0.45 H new ATOM 0 HA VAL A 14 -10.119 -5.368 7.724 1.00 0.45 H new ATOM 0 HB VAL A 14 -8.175 -5.866 6.416 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.576 -4.576 4.383 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.894 -5.744 4.127 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -9.261 -4.010 4.286 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -7.199 -3.531 6.449 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.850 -2.888 6.617 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -8.155 -3.904 7.902 1.00 0.45 H new ATOM 128 N CYS A 15 -11.924 -4.466 5.196 1.00 0.44 N ATOM 129 CA CYS A 15 -12.989 -3.590 4.686 1.00 0.44 C ATOM 130 C CYS A 15 -14.324 -4.325 4.611 1.00 0.46 C ATOM 131 O CYS A 15 -14.513 -5.206 3.772 1.00 0.46 O ATOM 132 CB CYS A 15 -12.639 -3.116 3.279 1.00 0.43 C ATOM 133 SG CYS A 15 -11.320 -1.869 3.265 1.00 0.42 S ATOM 0 H CYS A 15 -11.763 -5.281 4.604 1.00 0.44 H new ATOM 0 HA CYS A 15 -13.076 -2.748 5.372 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.330 -3.972 2.679 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.530 -2.701 2.808 1.00 0.43 H new ATOM 138 N LEU A 16 -15.182 -4.008 5.569 1.00 0.48 N ATOM 139 CA LEU A 16 -16.557 -4.548 5.582 1.00 0.51 C ATOM 140 C LEU A 16 -17.532 -3.775 4.680 1.00 0.53 C ATOM 141 O LEU A 16 -18.435 -4.360 4.073 1.00 0.55 O ATOM 142 CB LEU A 16 -17.089 -4.627 7.018 1.00 0.54 C ATOM 143 CG LEU A 16 -16.315 -5.638 7.879 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.855 -5.607 9.310 1.00 0.57 C ATOM 145 CD2 LEU A 16 -16.408 -7.065 7.320 1.00 0.53 C ATOM 0 H LEU A 16 -14.965 -3.385 6.347 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.495 -5.552 5.163 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -17.029 -3.641 7.479 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -18.143 -4.905 6.997 1.00 0.54 H new ATOM 0 HG LEU A 16 -15.264 -5.350 7.866 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -16.307 -6.324 9.921 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.731 -4.607 9.724 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.913 -5.869 9.305 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.846 -7.744 7.961 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.452 -7.376 7.289 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.992 -7.089 6.313 1.00 0.53 H new ATOM 157 N GLN A 17 -17.313 -2.483 4.578 1.00 0.53 N ATOM 158 CA GLN A 17 -18.131 -1.552 3.789 1.00 0.55 C ATOM 159 C GLN A 17 -17.324 -1.030 2.587 1.00 0.53 C ATOM 160 O GLN A 17 -16.156 -1.365 2.393 1.00 0.50 O ATOM 161 CB GLN A 17 -18.639 -0.398 4.675 1.00 0.57 C ATOM 162 CG GLN A 17 -17.574 0.603 5.155 1.00 0.56 C ATOM 163 CD GLN A 17 -16.584 0.061 6.197 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.652 -1.029 6.741 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.608 0.867 6.527 1.00 0.53 N ATOM 0 H GLN A 17 -16.537 -2.023 5.054 1.00 0.53 H new ATOM 0 HA GLN A 17 -19.004 -2.080 3.405 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.401 0.150 4.121 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -19.127 -0.826 5.550 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -17.010 0.951 4.289 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -18.080 1.472 5.576 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.532 1.783 6.085 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.923 0.579 7.226 1.00 0.53 H new ATOM 174 N THR A 18 -17.983 -0.164 1.839 1.00 0.56 N ATOM 175 CA THR A 18 -17.401 0.488 0.653 1.00 0.55 C ATOM 176 C THR A 18 -17.577 2.014 0.711 1.00 0.57 C ATOM 177 O THR A 18 -18.086 2.569 1.688 1.00 0.58 O ATOM 178 CB THR A 18 -18.031 -0.154 -0.595 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.369 0.357 -1.749 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.546 0.065 -0.713 1.00 0.62 C ATOM 0 H THR A 18 -18.945 0.117 2.029 1.00 0.56 H new ATOM 0 HA THR A 18 -16.323 0.332 0.616 1.00 0.55 H new ATOM 0 HB THR A 18 -17.899 -1.232 -0.507 1.00 0.57 H new ATOM 0 HG1 THR A 18 -18.034 0.610 -2.423 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.914 -0.418 -1.618 1.00 0.62 H new ATOM 0 HG22 THR A 18 -20.045 -0.365 0.156 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.757 1.133 -0.760 1.00 0.62 H new ATOM 188 N THR A 19 -17.240 2.675 -0.391 1.00 0.57 N ATOM 189 CA THR A 19 -17.320 4.133 -0.579 1.00 0.59 C ATOM 190 C THR A 19 -17.387 4.472 -2.080 1.00 0.61 C ATOM 191 O THR A 19 -16.892 3.735 -2.939 1.00 0.60 O ATOM 192 CB THR A 19 -16.105 4.815 0.087 1.00 0.56 C ATOM 193 OG1 THR A 19 -16.072 4.489 1.481 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.108 6.342 -0.030 1.00 0.58 C ATOM 0 H THR A 19 -16.887 2.195 -1.219 1.00 0.57 H new ATOM 0 HA THR A 19 -18.228 4.507 -0.106 1.00 0.59 H new ATOM 0 HB THR A 19 -15.230 4.441 -0.445 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.527 3.686 1.616 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.223 6.746 0.462 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.100 6.626 -1.082 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.003 6.742 0.447 1.00 0.58 H new ATOM 202 N GLN A 20 -18.017 5.607 -2.341 1.00 0.65 N ATOM 203 CA GLN A 20 -18.180 6.204 -3.670 1.00 0.68 C ATOM 204 C GLN A 20 -17.734 7.669 -3.700 1.00 0.68 C ATOM 205 O GLN A 20 -18.516 8.620 -3.737 1.00 0.72 O ATOM 206 CB GLN A 20 -19.616 6.013 -4.196 1.00 0.72 C ATOM 207 CG GLN A 20 -20.750 6.715 -3.436 1.00 0.75 C ATOM 208 CD GLN A 20 -20.980 6.233 -2.002 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.544 5.200 -1.519 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.762 6.991 -1.278 1.00 0.76 N ATOM 0 H GLN A 20 -18.449 6.166 -1.605 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.518 5.672 -4.353 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.643 6.355 -5.231 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.830 4.944 -4.207 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.540 7.784 -3.412 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.675 6.584 -3.997 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.135 7.857 -1.666 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -21.999 6.716 -0.325 1.00 0.76 H new ATOM 219 N GLY A 21 -16.411 7.817 -3.631 1.00 0.65 N ATOM 220 CA GLY A 21 -15.821 9.146 -3.775 1.00 0.65 C ATOM 221 C GLY A 21 -15.640 9.511 -5.262 1.00 0.68 C ATOM 222 O GLY A 21 -15.871 8.662 -6.114 1.00 0.69 O ATOM 0 H GLY A 21 -15.746 7.059 -3.481 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.458 9.885 -3.290 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -14.856 9.176 -3.269 1.00 0.65 H new ATOM 226 N VAL A 22 -15.074 10.649 -5.646 1.00 0.69 N ATOM 227 CA VAL A 22 -14.351 11.774 -4.978 1.00 0.68 C ATOM 228 C VAL A 22 -13.156 12.126 -5.891 1.00 0.67 C ATOM 229 O VAL A 22 -13.008 11.563 -6.971 1.00 0.68 O ATOM 230 CB VAL A 22 -13.890 11.525 -3.512 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.729 10.526 -3.355 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.666 12.819 -2.720 1.00 0.65 C ATOM 0 H VAL A 22 -15.113 10.861 -6.643 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.056 12.597 -4.862 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.743 11.024 -3.055 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.481 10.420 -2.299 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.026 9.557 -3.757 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -11.858 10.893 -3.898 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.346 12.575 -1.707 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -12.897 13.417 -3.209 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.596 13.387 -2.680 1.00 0.65 H new ATOM 242 N HIS A 23 -12.272 13.001 -5.429 1.00 0.66 N ATOM 243 CA HIS A 23 -11.045 13.332 -6.156 1.00 0.66 C ATOM 244 C HIS A 23 -9.809 12.931 -5.322 1.00 0.62 C ATOM 245 O HIS A 23 -9.812 13.126 -4.101 1.00 0.60 O ATOM 246 CB HIS A 23 -11.055 14.829 -6.491 1.00 0.69 C ATOM 247 CG HIS A 23 -9.954 15.193 -7.493 1.00 0.70 C ATOM 248 ND1 HIS A 23 -8.669 15.349 -7.192 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.100 15.442 -8.790 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.018 15.712 -8.295 1.00 0.70 C ATOM 251 NE2 HIS A 23 -8.905 15.769 -9.282 1.00 0.73 N ATOM 0 H HIS A 23 -12.380 13.500 -4.546 1.00 0.66 H new ATOM 0 HA HIS A 23 -10.995 12.773 -7.090 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.026 15.103 -6.902 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -10.921 15.407 -5.577 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.024 15.389 -9.347 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -6.961 15.922 -8.373 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.706 16.020 -10.250 1.00 0.73 H new ATOM 259 N PRO A 24 -8.755 12.449 -6.001 1.00 0.61 N ATOM 260 CA PRO A 24 -7.442 12.129 -5.402 1.00 0.58 C ATOM 261 C PRO A 24 -6.874 13.275 -4.571 1.00 0.58 C ATOM 262 O PRO A 24 -6.037 13.035 -3.714 1.00 0.56 O ATOM 263 CB PRO A 24 -6.494 11.959 -6.581 1.00 0.60 C ATOM 264 CG PRO A 24 -7.395 11.452 -7.695 1.00 0.62 C ATOM 265 CD PRO A 24 -8.725 12.149 -7.448 1.00 0.64 C ATOM 0 HA PRO A 24 -7.551 11.258 -4.756 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.016 12.901 -6.850 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.697 11.250 -6.356 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -6.992 11.700 -8.677 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.501 10.368 -7.659 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -8.805 13.061 -8.039 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.561 11.510 -7.733 1.00 0.64 H new ATOM 273 N LYS A 25 -7.333 14.499 -4.832 1.00 0.61 N ATOM 274 CA LYS A 25 -6.907 15.718 -4.129 1.00 0.61 C ATOM 275 C LYS A 25 -7.006 15.586 -2.599 1.00 0.59 C ATOM 276 O LYS A 25 -6.211 16.166 -1.872 1.00 0.59 O ATOM 277 CB LYS A 25 -7.780 16.880 -4.599 1.00 0.65 C ATOM 278 CG LYS A 25 -6.941 18.151 -4.718 1.00 0.67 C ATOM 279 CD LYS A 25 -7.751 19.352 -5.211 1.00 0.70 C ATOM 280 CE LYS A 25 -8.744 19.845 -4.157 1.00 0.71 C ATOM 281 NZ LYS A 25 -8.607 21.296 -3.985 1.00 0.74 N ATOM 0 H LYS A 25 -8.029 14.679 -5.556 1.00 0.61 H new ATOM 0 HA LYS A 25 -5.857 15.893 -4.365 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.230 16.640 -5.562 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.597 17.039 -3.896 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.506 18.386 -3.747 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.113 17.971 -5.403 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.072 20.162 -5.477 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.291 19.078 -6.117 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -9.762 19.600 -4.460 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -8.563 19.339 -3.209 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.284 21.626 -3.268 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -7.639 21.519 -3.676 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -8.801 21.773 -4.889 1.00 0.74 H new ATOM 295 N MET A 26 -7.962 14.792 -2.126 1.00 0.58 N ATOM 296 CA MET A 26 -8.142 14.590 -0.692 1.00 0.58 C ATOM 297 C MET A 26 -7.277 13.437 -0.173 1.00 0.54 C ATOM 298 O MET A 26 -6.972 13.371 1.017 1.00 0.54 O ATOM 299 CB MET A 26 -9.614 14.321 -0.374 1.00 0.59 C ATOM 300 CG MET A 26 -10.470 15.579 -0.259 1.00 0.67 C ATOM 301 SD MET A 26 -10.221 16.458 1.298 1.00 0.79 S ATOM 302 CE MET A 26 -9.111 17.766 0.790 1.00 1.08 C ATOM 0 H MET A 26 -8.621 14.280 -2.712 1.00 0.58 H new ATOM 0 HA MET A 26 -7.825 15.503 -0.188 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.031 13.681 -1.152 1.00 0.59 H new ATOM 0 HB3 MET A 26 -9.676 13.766 0.562 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.238 16.247 -1.089 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.521 15.307 -0.353 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.232 17.768 1.434 1.00 1.08 H new ATOM 0 HE2 MET A 26 -8.804 17.602 -0.243 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.620 18.726 0.869 1.00 1.08 H new ATOM 312 N ILE A 27 -6.882 12.538 -1.072 1.00 0.52 N ATOM 313 CA ILE A 27 -6.057 11.381 -0.713 1.00 0.50 C ATOM 314 C ILE A 27 -4.577 11.761 -0.609 1.00 0.51 C ATOM 315 O ILE A 27 -4.110 12.675 -1.290 1.00 0.58 O ATOM 316 CB ILE A 27 -6.210 10.245 -1.756 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.683 10.014 -2.111 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.593 8.950 -1.243 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.535 9.568 -0.942 1.00 0.57 C ATOM 0 H ILE A 27 -7.121 12.588 -2.062 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.406 11.033 0.259 1.00 0.50 H new ATOM 0 HB ILE A 27 -5.681 10.555 -2.657 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.097 10.936 -2.518 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -7.743 9.263 -2.899 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.713 8.168 -1.993 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.532 9.105 -1.047 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.092 8.649 -0.322 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.563 9.426 -1.274 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.148 8.628 -0.547 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.508 10.328 -0.161 1.00 0.57 H new ATOM 331 N SER A 28 -3.843 11.047 0.247 1.00 0.49 N ATOM 332 CA SER A 28 -2.421 11.295 0.442 1.00 0.54 C ATOM 333 C SER A 28 -1.659 9.984 0.647 1.00 0.55 C ATOM 334 O SER A 28 -0.499 9.866 0.257 1.00 0.69 O ATOM 335 CB SER A 28 -2.205 12.219 1.641 1.00 0.61 C ATOM 336 OG SER A 28 -2.731 13.510 1.390 1.00 0.69 O ATOM 0 H SER A 28 -4.217 10.289 0.818 1.00 0.49 H new ATOM 0 HA SER A 28 -2.035 11.779 -0.455 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.683 11.793 2.523 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.140 12.293 1.860 1.00 0.61 H new ATOM 0 HG SER A 28 -2.039 14.072 0.984 1.00 0.69 H new ATOM 342 N ASN A 29 -2.318 9.000 1.256 1.00 0.51 N ATOM 343 CA ASN A 29 -1.695 7.700 1.506 1.00 0.51 C ATOM 344 C ASN A 29 -2.599 6.562 1.026 1.00 0.50 C ATOM 345 O ASN A 29 -3.758 6.470 1.425 1.00 0.51 O ATOM 346 CB ASN A 29 -1.383 7.549 3.001 1.00 0.54 C ATOM 347 CG ASN A 29 -0.774 6.204 3.359 1.00 0.57 C ATOM 348 OD1 ASN A 29 -0.063 5.592 2.562 1.00 0.64 O ATOM 349 ND2 ASN A 29 -1.046 5.740 4.573 1.00 0.78 N ATOM 0 H ASN A 29 -3.280 9.077 1.585 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.762 7.647 0.944 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -0.698 8.341 3.303 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.301 7.687 3.572 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -0.661 4.845 4.875 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -1.640 6.278 5.204 1.00 0.78 H new ATOM 356 N LEU A 30 -2.060 5.699 0.164 1.00 0.54 N ATOM 357 CA LEU A 30 -2.817 4.570 -0.373 1.00 0.56 C ATOM 358 C LEU A 30 -2.211 3.238 0.064 1.00 0.57 C ATOM 359 O LEU A 30 -1.060 2.942 -0.241 1.00 0.74 O ATOM 360 CB LEU A 30 -2.860 4.640 -1.904 1.00 0.60 C ATOM 361 CG LEU A 30 -3.491 3.428 -2.596 1.00 0.67 C ATOM 362 CD1 LEU A 30 -5.007 3.497 -2.532 1.00 0.69 C ATOM 363 CD2 LEU A 30 -3.024 3.333 -4.041 1.00 0.73 C ATOM 0 H LEU A 30 -1.101 5.761 -0.177 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.831 4.632 0.022 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -3.413 5.533 -2.195 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.842 4.760 -2.275 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.168 2.531 -2.068 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.432 2.626 -3.030 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.327 3.512 -1.490 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -5.351 4.403 -3.030 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.483 2.466 -4.515 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -3.314 4.236 -4.577 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.939 3.229 -4.067 1.00 0.73 H new ATOM 375 N GLN A 31 -2.997 2.439 0.777 1.00 0.50 N ATOM 376 CA GLN A 31 -2.541 1.134 1.246 1.00 0.51 C ATOM 377 C GLN A 31 -3.297 0.013 0.534 1.00 0.52 C ATOM 378 O GLN A 31 -4.521 -0.075 0.617 1.00 0.61 O ATOM 379 CB GLN A 31 -2.723 1.016 2.762 1.00 0.54 C ATOM 380 CG GLN A 31 -2.019 2.109 3.552 1.00 0.61 C ATOM 381 CD GLN A 31 -2.296 2.024 5.039 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.226 2.652 5.546 1.00 1.16 O ATOM 383 NE2 GLN A 31 -1.492 1.242 5.747 1.00 1.16 N ATOM 0 H GLN A 31 -3.954 2.672 1.043 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.480 1.039 1.014 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.788 1.042 2.994 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.349 0.046 3.089 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -0.945 2.040 3.382 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -2.339 3.083 3.182 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -0.733 0.740 5.286 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -1.632 1.143 6.752 1.00 1.16 H new ATOM 392 N VAL A 32 -2.558 -0.839 -0.174 1.00 0.49 N ATOM 393 CA VAL A 32 -3.150 -1.948 -0.914 1.00 0.51 C ATOM 394 C VAL A 32 -2.739 -3.292 -0.316 1.00 0.50 C ATOM 395 O VAL A 32 -1.554 -3.571 -0.151 1.00 0.61 O ATOM 396 CB VAL A 32 -2.743 -1.907 -2.406 1.00 0.56 C ATOM 397 CG1 VAL A 32 -3.480 -2.974 -3.202 1.00 0.62 C ATOM 398 CG2 VAL A 32 -3.002 -0.527 -2.993 1.00 0.59 C ATOM 0 H VAL A 32 -1.543 -0.780 -0.250 1.00 0.49 H new ATOM 0 HA VAL A 32 -4.232 -1.840 -0.838 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.675 -2.115 -2.471 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -3.176 -2.923 -4.247 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -3.239 -3.959 -2.801 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.554 -2.806 -3.128 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -2.710 -0.518 -4.043 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -4.062 -0.289 -2.909 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -2.420 0.216 -2.448 1.00 0.59 H new ATOM 408 N PHE A 33 -3.732 -4.119 0.001 1.00 0.48 N ATOM 409 CA PHE A 33 -3.485 -5.436 0.582 1.00 0.49 C ATOM 410 C PHE A 33 -3.974 -6.542 -0.348 1.00 0.52 C ATOM 411 O PHE A 33 -5.056 -6.443 -0.930 1.00 0.57 O ATOM 412 CB PHE A 33 -4.185 -5.558 1.938 1.00 0.52 C ATOM 413 CG PHE A 33 -3.394 -4.995 3.086 1.00 0.53 C ATOM 414 CD1 PHE A 33 -2.377 -5.734 3.667 1.00 0.63 C ATOM 415 CD2 PHE A 33 -3.670 -3.732 3.585 1.00 0.60 C ATOM 416 CE1 PHE A 33 -1.649 -5.226 4.725 1.00 0.73 C ATOM 417 CE2 PHE A 33 -2.946 -3.218 4.646 1.00 0.68 C ATOM 418 CZ PHE A 33 -1.934 -3.967 5.216 1.00 0.72 C ATOM 0 H PHE A 33 -4.719 -3.899 -0.135 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.409 -5.546 0.720 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.146 -5.047 1.887 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.394 -6.610 2.135 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -2.150 -6.720 3.288 1.00 0.63 H new ATOM 0 HD2 PHE A 33 -4.459 -3.143 3.141 1.00 0.60 H new ATOM 0 HE1 PHE A 33 -0.858 -5.813 5.168 1.00 0.73 H new ATOM 0 HE2 PHE A 33 -3.171 -2.233 5.028 1.00 0.68 H new ATOM 0 HZ PHE A 33 -1.367 -3.568 6.044 1.00 0.72 H new ATOM 428 N ALA A 34 -3.174 -7.600 -0.485 1.00 0.53 N ATOM 429 CA ALA A 34 -3.534 -8.728 -1.343 1.00 0.58 C ATOM 430 C ALA A 34 -4.411 -9.744 -0.602 1.00 0.58 C ATOM 431 O ALA A 34 -5.057 -9.415 0.395 1.00 0.62 O ATOM 432 CB ALA A 34 -2.277 -9.398 -1.878 1.00 0.66 C ATOM 0 H ALA A 34 -2.275 -7.699 -0.014 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.116 -8.342 -2.180 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.555 -10.237 -2.516 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.699 -8.678 -2.457 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.675 -9.760 -1.045 1.00 0.66 H new ATOM 438 N ILE A 35 -4.431 -10.977 -1.106 1.00 0.63 N ATOM 439 CA ILE A 35 -5.220 -12.052 -0.508 1.00 0.65 C ATOM 440 C ILE A 35 -4.603 -12.524 0.810 1.00 0.62 C ATOM 441 O ILE A 35 -3.418 -12.857 0.870 1.00 0.68 O ATOM 442 CB ILE A 35 -5.338 -13.249 -1.479 1.00 0.77 C ATOM 443 CG1 ILE A 35 -5.972 -12.797 -2.800 1.00 0.91 C ATOM 444 CG2 ILE A 35 -6.150 -14.377 -0.855 1.00 0.80 C ATOM 445 CD1 ILE A 35 -5.996 -13.874 -3.864 1.00 1.14 C ATOM 0 H ILE A 35 -3.905 -11.257 -1.934 1.00 0.63 H new ATOM 0 HA ILE A 35 -6.214 -11.654 -0.306 1.00 0.65 H new ATOM 0 HB ILE A 35 -4.336 -13.627 -1.682 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -6.992 -12.465 -2.608 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.423 -11.935 -3.180 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -6.219 -15.208 -1.558 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -5.661 -14.714 0.059 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -7.152 -14.017 -0.619 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -6.459 -13.481 -4.769 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -4.976 -14.190 -4.085 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -6.570 -14.728 -3.505 1.00 1.14 H new ATOM 457 N GLY A 36 -5.416 -12.547 1.865 1.00 0.61 N ATOM 458 CA GLY A 36 -4.940 -12.977 3.167 1.00 0.63 C ATOM 459 C GLY A 36 -5.768 -14.108 3.750 1.00 0.65 C ATOM 460 O GLY A 36 -6.666 -14.628 3.086 1.00 0.66 O ATOM 0 H GLY A 36 -6.399 -12.274 1.839 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.902 -13.299 3.082 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.956 -12.130 3.853 1.00 0.63 H new ATOM 464 N PRO A 37 -5.483 -14.514 5.004 1.00 0.69 N ATOM 465 CA PRO A 37 -6.204 -15.596 5.690 1.00 0.74 C ATOM 466 C PRO A 37 -7.579 -15.160 6.194 1.00 0.72 C ATOM 467 O PRO A 37 -8.386 -15.987 6.617 1.00 0.77 O ATOM 468 CB PRO A 37 -5.292 -15.941 6.880 1.00 0.81 C ATOM 469 CG PRO A 37 -4.040 -15.146 6.691 1.00 0.79 C ATOM 470 CD PRO A 37 -4.423 -13.961 5.856 1.00 0.71 C ATOM 0 HA PRO A 37 -6.397 -16.434 5.020 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.774 -15.690 7.825 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -5.075 -17.009 6.907 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.630 -14.831 7.650 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -3.272 -15.740 6.196 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.781 -13.132 6.466 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.583 -13.587 5.270 1.00 0.71 H new ATOM 478 N GLN A 38 -7.836 -13.858 6.145 1.00 0.66 N ATOM 479 CA GLN A 38 -9.116 -13.302 6.607 1.00 0.65 C ATOM 480 C GLN A 38 -10.008 -12.804 5.456 1.00 0.61 C ATOM 481 O GLN A 38 -11.208 -12.617 5.628 1.00 0.62 O ATOM 482 CB GLN A 38 -8.839 -12.174 7.609 1.00 0.65 C ATOM 483 CG GLN A 38 -8.078 -10.983 7.014 1.00 0.60 C ATOM 484 CD GLN A 38 -7.846 -9.916 8.079 1.00 0.63 C ATOM 485 OE1 GLN A 38 -7.181 -10.117 9.080 1.00 0.73 O ATOM 486 NE2 GLN A 38 -8.357 -8.736 7.825 1.00 0.61 N ATOM 0 H GLN A 38 -7.179 -13.162 5.791 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.673 -14.105 7.090 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.787 -11.820 8.013 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -8.267 -12.577 8.445 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -7.122 -11.318 6.611 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.643 -10.560 6.183 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.911 -8.591 6.981 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -8.201 -7.963 8.472 1.00 0.61 H new ATOM 495 N CYS A 39 -9.387 -12.527 4.312 1.00 0.57 N ATOM 496 CA CYS A 39 -10.107 -12.006 3.157 1.00 0.55 C ATOM 497 C CYS A 39 -9.494 -12.520 1.858 1.00 0.61 C ATOM 498 O CYS A 39 -8.306 -12.324 1.602 1.00 0.71 O ATOM 499 CB CYS A 39 -10.063 -10.472 3.189 1.00 0.49 C ATOM 500 SG CYS A 39 -11.441 -9.645 2.329 1.00 0.47 S ATOM 0 H CYS A 39 -8.386 -12.655 4.162 1.00 0.57 H new ATOM 0 HA CYS A 39 -11.141 -12.347 3.200 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -10.055 -10.145 4.229 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -9.125 -10.141 2.743 1.00 0.49 H new ATOM 505 N SER A 40 -10.311 -13.175 1.037 1.00 0.67 N ATOM 506 CA SER A 40 -9.845 -13.718 -0.237 1.00 0.78 C ATOM 507 C SER A 40 -10.010 -12.696 -1.363 1.00 0.74 C ATOM 508 O SER A 40 -9.609 -12.939 -2.502 1.00 0.97 O ATOM 509 CB SER A 40 -10.611 -15.000 -0.574 1.00 0.92 C ATOM 510 OG SER A 40 -10.053 -15.653 -1.703 1.00 1.07 O ATOM 0 H SER A 40 -11.298 -13.343 1.231 1.00 0.67 H new ATOM 0 HA SER A 40 -8.784 -13.950 -0.140 1.00 0.78 H new ATOM 0 HB2 SER A 40 -10.593 -15.673 0.283 1.00 0.92 H new ATOM 0 HB3 SER A 40 -11.656 -14.761 -0.770 1.00 0.92 H new ATOM 0 HG SER A 40 -9.739 -14.983 -2.346 1.00 1.07 H new ATOM 516 N LYS A 41 -10.595 -11.550 -1.033 1.00 0.72 N ATOM 517 CA LYS A 41 -10.825 -10.491 -2.008 1.00 0.69 C ATOM 518 C LYS A 41 -9.907 -9.300 -1.746 1.00 0.68 C ATOM 519 O LYS A 41 -9.709 -8.899 -0.599 1.00 0.70 O ATOM 520 CB LYS A 41 -12.290 -10.049 -1.953 1.00 0.68 C ATOM 521 CG LYS A 41 -12.655 -8.983 -2.975 1.00 0.77 C ATOM 522 CD LYS A 41 -14.076 -8.484 -2.769 1.00 0.88 C ATOM 523 CE LYS A 41 -14.413 -7.357 -3.731 1.00 1.07 C ATOM 524 NZ LYS A 41 -15.786 -6.825 -3.508 1.00 1.29 N ATOM 0 H LYS A 41 -10.920 -11.330 -0.092 1.00 0.72 H new ATOM 0 HA LYS A 41 -10.601 -10.879 -3.002 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.927 -10.920 -2.108 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -12.507 -9.669 -0.954 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -11.959 -8.148 -2.897 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -12.552 -9.390 -3.981 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -14.776 -9.307 -2.911 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -14.196 -8.137 -1.743 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -13.688 -6.551 -3.613 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -14.326 -7.717 -4.756 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.975 -6.058 -4.185 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -16.480 -7.587 -3.645 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -15.863 -6.457 -2.538 1.00 1.29 H new ATOM 538 N VAL A 42 -9.343 -8.743 -2.817 1.00 0.67 N ATOM 539 CA VAL A 42 -8.457 -7.589 -2.700 1.00 0.68 C ATOM 540 C VAL A 42 -9.259 -6.323 -2.412 1.00 0.67 C ATOM 541 O VAL A 42 -10.282 -6.062 -3.050 1.00 0.75 O ATOM 542 CB VAL A 42 -7.607 -7.382 -3.974 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.583 -8.497 -4.118 1.00 0.80 C ATOM 544 CG2 VAL A 42 -8.489 -7.301 -5.215 1.00 0.83 C ATOM 0 H VAL A 42 -9.484 -9.072 -3.772 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.781 -7.790 -1.869 1.00 0.68 H new ATOM 0 HB VAL A 42 -7.077 -6.434 -3.876 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.993 -8.335 -5.020 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.924 -8.500 -3.250 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -7.097 -9.456 -4.187 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.864 -7.155 -6.096 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -9.055 -8.227 -5.320 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -9.179 -6.463 -5.117 1.00 0.83 H new ATOM 554 N GLU A 43 -8.806 -5.549 -1.432 1.00 0.60 N ATOM 555 CA GLU A 43 -9.499 -4.321 -1.055 1.00 0.59 C ATOM 556 C GLU A 43 -8.519 -3.154 -1.013 1.00 0.58 C ATOM 557 O GLU A 43 -7.455 -3.250 -0.399 1.00 0.63 O ATOM 558 CB GLU A 43 -10.181 -4.496 0.306 1.00 0.60 C ATOM 559 CG GLU A 43 -10.921 -5.818 0.442 1.00 0.66 C ATOM 560 CD GLU A 43 -11.686 -5.941 1.736 1.00 0.70 C ATOM 561 OE1 GLU A 43 -11.055 -5.876 2.811 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.917 -6.114 1.677 1.00 0.79 O ATOM 0 H GLU A 43 -7.967 -5.748 -0.887 1.00 0.60 H new ATOM 0 HA GLU A 43 -10.263 -4.105 -1.802 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.430 -4.425 1.093 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.883 -3.677 0.461 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.613 -5.927 -0.393 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -10.205 -6.637 0.372 1.00 0.66 H new ATOM 569 N VAL A 44 -8.877 -2.053 -1.670 1.00 0.55 N ATOM 570 CA VAL A 44 -8.006 -0.884 -1.717 1.00 0.56 C ATOM 571 C VAL A 44 -8.434 0.197 -0.730 1.00 0.54 C ATOM 572 O VAL A 44 -9.437 0.885 -0.919 1.00 0.57 O ATOM 573 CB VAL A 44 -7.920 -0.277 -3.134 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.926 -1.045 -3.986 1.00 0.66 C ATOM 575 CG2 VAL A 44 -9.284 -0.256 -3.804 1.00 0.64 C ATOM 0 H VAL A 44 -9.758 -1.947 -2.173 1.00 0.55 H new ATOM 0 HA VAL A 44 -7.018 -1.245 -1.431 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.573 0.752 -3.036 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.880 -0.601 -4.981 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.940 -1.001 -3.523 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -7.243 -2.085 -4.067 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -9.193 0.177 -4.800 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.666 -1.274 -3.884 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.972 0.344 -3.209 1.00 0.64 H new ATOM 585 N VAL A 45 -7.661 0.320 0.336 1.00 0.51 N ATOM 586 CA VAL A 45 -7.900 1.335 1.382 1.00 0.50 C ATOM 587 C VAL A 45 -7.075 2.613 1.106 1.00 0.51 C ATOM 588 O VAL A 45 -6.075 2.613 0.383 1.00 0.54 O ATOM 589 CB VAL A 45 -7.686 0.780 2.810 1.00 0.51 C ATOM 590 CG1 VAL A 45 -8.021 -0.692 2.914 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.257 0.744 3.299 1.00 0.67 C ATOM 0 H VAL A 45 -6.850 -0.272 0.513 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.953 1.612 1.336 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.315 1.464 3.379 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.854 -1.032 3.936 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -9.066 -0.847 2.646 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.385 -1.259 2.234 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.228 0.337 4.310 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.662 0.114 2.638 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.848 1.754 3.303 1.00 0.67 H new ATOM 601 N ALA A 46 -7.612 3.735 1.549 1.00 0.52 N ATOM 602 CA ALA A 46 -6.960 5.049 1.371 1.00 0.54 C ATOM 603 C ALA A 46 -7.121 5.918 2.622 1.00 0.55 C ATOM 604 O ALA A 46 -8.055 5.730 3.409 1.00 0.55 O ATOM 605 CB ALA A 46 -7.551 5.763 0.150 1.00 0.58 C ATOM 0 H ALA A 46 -8.505 3.777 2.040 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.895 4.885 1.210 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -7.066 6.731 0.025 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -7.387 5.157 -0.741 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.621 5.910 0.297 1.00 0.58 H new ATOM 611 N SER A 47 -6.171 6.823 2.803 1.00 0.57 N ATOM 612 CA SER A 47 -6.194 7.793 3.913 1.00 0.60 C ATOM 613 C SER A 47 -6.119 9.223 3.375 1.00 0.64 C ATOM 614 O SER A 47 -5.288 9.558 2.520 1.00 0.65 O ATOM 615 CB SER A 47 -5.030 7.569 4.876 1.00 0.63 C ATOM 616 OG SER A 47 -5.031 6.216 5.336 1.00 0.62 O ATOM 0 H SER A 47 -5.360 6.914 2.192 1.00 0.57 H new ATOM 0 HA SER A 47 -7.131 7.645 4.450 1.00 0.60 H new ATOM 0 HB2 SER A 47 -4.087 7.792 4.378 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.112 8.250 5.723 1.00 0.63 H new ATOM 0 HG SER A 47 -4.281 6.079 5.952 1.00 0.62 H new ATOM 622 N LEU A 48 -6.983 10.078 3.914 1.00 0.66 N ATOM 623 CA LEU A 48 -7.039 11.481 3.516 1.00 0.71 C ATOM 624 C LEU A 48 -5.924 12.285 4.187 1.00 0.74 C ATOM 625 O LEU A 48 -5.213 11.777 5.054 1.00 0.74 O ATOM 626 CB LEU A 48 -8.401 12.085 3.882 1.00 0.72 C ATOM 627 CG LEU A 48 -9.566 11.702 2.962 1.00 0.74 C ATOM 628 CD1 LEU A 48 -10.083 10.308 3.289 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.688 12.724 3.073 1.00 0.79 C ATOM 0 H LEU A 48 -7.659 9.821 4.633 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.902 11.529 2.436 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.651 11.783 4.899 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.307 13.171 3.886 1.00 0.72 H new ATOM 0 HG LEU A 48 -9.199 11.695 1.935 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.909 10.061 2.622 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.281 9.582 3.157 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.430 10.282 4.322 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.507 12.438 2.414 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -11.046 12.761 4.102 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.315 13.706 2.783 1.00 0.79 H new ATOM 641 N LYS A 49 -5.786 13.546 3.779 1.00 0.80 N ATOM 642 CA LYS A 49 -4.765 14.430 4.336 1.00 0.86 C ATOM 643 C LYS A 49 -5.175 14.918 5.728 1.00 0.87 C ATOM 644 O LYS A 49 -4.334 15.341 6.524 1.00 0.93 O ATOM 645 CB LYS A 49 -4.536 15.625 3.401 1.00 0.94 C ATOM 646 CG LYS A 49 -3.365 16.513 3.799 1.00 1.01 C ATOM 647 CD LYS A 49 -2.041 15.762 3.744 1.00 1.07 C ATOM 648 CE LYS A 49 -0.865 16.679 4.036 1.00 1.20 C ATOM 649 NZ LYS A 49 -0.984 17.332 5.370 1.00 1.23 N ATOM 0 H LYS A 49 -6.370 13.978 3.063 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.835 13.870 4.429 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.369 15.254 2.390 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.443 16.229 3.373 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -3.321 17.376 3.135 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -3.525 16.895 4.807 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -2.055 14.946 4.466 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.917 15.313 2.758 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.061 16.105 3.994 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.801 17.444 3.262 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -0.091 17.811 5.603 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.756 18.029 5.348 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -1.189 16.612 6.092 1.00 1.23 H new ATOM 663 N ASN A 50 -6.474 14.842 6.013 1.00 0.84 N ATOM 664 CA ASN A 50 -7.008 15.267 7.302 1.00 0.88 C ATOM 665 C ASN A 50 -6.680 14.250 8.394 1.00 0.84 C ATOM 666 O ASN A 50 -6.466 14.614 9.550 1.00 1.01 O ATOM 667 CB ASN A 50 -8.525 15.457 7.211 1.00 0.90 C ATOM 668 CG ASN A 50 -8.928 16.442 6.129 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.208 17.397 5.841 1.00 1.05 O ATOM 670 ND2 ASN A 50 -10.085 16.210 5.521 1.00 1.01 N ATOM 0 H ASN A 50 -7.177 14.488 5.364 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.541 16.217 7.562 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -8.996 14.494 7.014 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -8.902 15.806 8.173 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.408 16.836 4.783 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.651 15.406 5.791 1.00 1.01 H new ATOM 677 N GLY A 51 -6.642 12.974 8.016 1.00 0.70 N ATOM 678 CA GLY A 51 -6.340 11.922 8.970 1.00 0.69 C ATOM 679 C GLY A 51 -7.473 10.924 9.113 1.00 0.64 C ATOM 680 O GLY A 51 -7.837 10.544 10.226 1.00 0.69 O ATOM 0 H GLY A 51 -6.815 12.651 7.064 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.437 11.399 8.655 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.128 12.367 9.942 1.00 0.69 H new ATOM 684 N LYS A 52 -8.034 10.502 7.982 1.00 0.60 N ATOM 685 CA LYS A 52 -9.134 9.541 7.978 1.00 0.57 C ATOM 686 C LYS A 52 -8.822 8.361 7.061 1.00 0.53 C ATOM 687 O LYS A 52 -7.993 8.469 6.165 1.00 0.62 O ATOM 688 CB LYS A 52 -10.432 10.216 7.527 1.00 0.62 C ATOM 689 CG LYS A 52 -10.957 11.253 8.509 1.00 0.70 C ATOM 690 CD LYS A 52 -12.260 11.872 8.025 1.00 0.86 C ATOM 691 CE LYS A 52 -13.404 10.869 8.052 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.672 11.460 7.543 1.00 1.19 N ATOM 0 H LYS A 52 -7.744 10.812 7.054 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.259 9.170 8.995 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.266 10.694 6.562 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.195 9.452 7.377 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.114 10.787 9.482 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.211 12.035 8.647 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.511 12.728 8.652 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -12.129 12.248 7.010 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.140 10.001 7.448 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.552 10.515 9.072 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.427 10.745 7.578 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -14.938 12.273 8.134 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.538 11.775 6.561 1.00 1.19 H new ATOM 706 N GLU A 53 -9.498 7.241 7.294 1.00 0.52 N ATOM 707 CA GLU A 53 -9.298 6.028 6.485 1.00 0.49 C ATOM 708 C GLU A 53 -10.654 5.467 6.036 1.00 0.49 C ATOM 709 O GLU A 53 -11.587 5.331 6.833 1.00 0.51 O ATOM 710 CB GLU A 53 -8.517 4.985 7.295 1.00 0.49 C ATOM 711 CG GLU A 53 -9.316 4.479 8.504 1.00 0.63 C ATOM 712 CD GLU A 53 -8.495 3.622 9.454 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.504 4.172 9.979 1.00 0.64 O ATOM 714 OE2 GLU A 53 -8.929 2.475 9.688 1.00 0.69 O ATOM 0 H GLU A 53 -10.191 7.141 8.035 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.720 6.279 5.596 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.262 4.143 6.651 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.578 5.421 7.637 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.715 5.334 9.050 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.169 3.901 8.150 1.00 0.63 H new ATOM 721 N ILE A 54 -10.746 5.216 4.753 1.00 0.47 N ATOM 722 CA ILE A 54 -11.973 4.634 4.169 1.00 0.47 C ATOM 723 C ILE A 54 -11.615 3.395 3.337 1.00 0.45 C ATOM 724 O ILE A 54 -10.441 3.063 3.149 1.00 0.43 O ATOM 725 CB ILE A 54 -12.753 5.693 3.369 1.00 0.49 C ATOM 726 CG1 ILE A 54 -11.929 6.207 2.173 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.243 6.818 4.301 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.689 7.131 1.219 1.00 0.51 C ATOM 0 H ILE A 54 -10.001 5.397 4.080 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.639 4.306 4.967 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.643 5.231 2.941 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.056 6.739 2.553 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.560 5.350 1.609 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.793 7.558 3.720 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.897 6.398 5.065 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.386 7.294 4.778 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.028 7.441 0.410 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.546 6.600 0.804 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.035 8.010 1.763 1.00 0.51 H new ATOM 740 N CYS A 55 -12.653 2.795 2.776 1.00 0.46 N ATOM 741 CA CYS A 55 -12.511 1.627 1.899 1.00 0.44 C ATOM 742 C CYS A 55 -13.238 1.890 0.590 1.00 0.46 C ATOM 743 O CYS A 55 -14.374 2.355 0.561 1.00 0.49 O ATOM 744 CB CYS A 55 -13.126 0.399 2.558 1.00 0.45 C ATOM 745 SG CYS A 55 -12.199 -0.193 4.018 1.00 0.43 S ATOM 0 H CYS A 55 -13.618 3.097 2.911 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.451 1.451 1.716 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -14.148 0.632 2.857 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.184 -0.405 1.825 1.00 0.45 H new ATOM 750 N LEU A 56 -12.583 1.490 -0.477 1.00 0.46 N ATOM 751 CA LEU A 56 -13.115 1.690 -1.822 1.00 0.49 C ATOM 752 C LEU A 56 -13.426 0.319 -2.434 1.00 0.50 C ATOM 753 O LEU A 56 -12.792 -0.690 -2.108 1.00 0.48 O ATOM 754 CB LEU A 56 -12.023 2.485 -2.550 1.00 0.49 C ATOM 755 CG LEU A 56 -11.635 3.855 -1.984 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.707 4.555 -2.978 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.847 4.742 -1.683 1.00 0.51 C ATOM 0 H LEU A 56 -11.677 1.022 -0.447 1.00 0.46 H new ATOM 0 HA LEU A 56 -14.054 2.242 -1.873 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.124 1.869 -2.580 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.345 2.628 -3.581 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.129 3.690 -1.033 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.424 5.532 -2.586 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.812 3.951 -3.128 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.223 4.682 -3.930 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.508 5.698 -1.285 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.411 4.910 -2.600 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.485 4.249 -0.949 1.00 0.51 H new ATOM 769 N ASP A 57 -14.379 0.258 -3.357 1.00 0.53 N ATOM 770 CA ASP A 57 -14.709 -1.014 -4.009 1.00 0.54 C ATOM 771 C ASP A 57 -14.128 -1.062 -5.425 1.00 0.57 C ATOM 772 O ASP A 57 -14.552 -0.296 -6.290 1.00 0.62 O ATOM 773 CB ASP A 57 -16.224 -1.214 -4.070 1.00 0.59 C ATOM 774 CG ASP A 57 -16.625 -2.664 -3.869 1.00 0.60 C ATOM 775 OD1 ASP A 57 -16.184 -3.522 -4.662 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.382 -2.942 -2.915 1.00 0.67 O ATOM 0 H ASP A 57 -14.931 1.057 -3.670 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.269 -1.817 -3.417 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.700 -0.599 -3.306 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.595 -0.868 -5.035 1.00 0.59 H new ATOM 781 N PRO A 58 -13.150 -1.971 -5.682 1.00 0.58 N ATOM 782 CA PRO A 58 -12.504 -2.117 -7.009 1.00 0.64 C ATOM 783 C PRO A 58 -13.512 -2.359 -8.129 1.00 0.73 C ATOM 784 O PRO A 58 -13.205 -2.203 -9.312 1.00 0.86 O ATOM 785 CB PRO A 58 -11.602 -3.342 -6.834 1.00 0.68 C ATOM 786 CG PRO A 58 -11.359 -3.447 -5.370 1.00 0.63 C ATOM 787 CD PRO A 58 -12.601 -2.926 -4.699 1.00 0.59 C ATOM 0 HA PRO A 58 -11.970 -1.212 -7.299 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -12.082 -4.242 -7.218 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.666 -3.222 -7.380 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -11.165 -4.480 -5.081 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.485 -2.864 -5.078 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -13.306 -3.728 -4.482 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.371 -2.439 -3.752 1.00 0.59 H new ATOM 795 N GLU A 59 -14.713 -2.742 -7.725 1.00 0.69 N ATOM 796 CA GLU A 59 -15.836 -3.001 -8.637 1.00 0.81 C ATOM 797 C GLU A 59 -16.317 -1.746 -9.400 1.00 0.87 C ATOM 798 O GLU A 59 -17.044 -1.848 -10.387 1.00 0.96 O ATOM 799 CB GLU A 59 -16.983 -3.620 -7.828 1.00 0.84 C ATOM 800 CG GLU A 59 -18.097 -4.128 -8.741 1.00 1.11 C ATOM 801 CD GLU A 59 -19.231 -4.794 -7.968 1.00 1.18 C ATOM 802 OE1 GLU A 59 -19.834 -4.098 -7.119 1.00 1.35 O ATOM 803 OE2 GLU A 59 -19.456 -5.987 -8.248 1.00 1.29 O ATOM 0 H GLU A 59 -14.947 -2.886 -6.743 1.00 0.69 H new ATOM 0 HA GLU A 59 -15.489 -3.690 -9.407 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -16.602 -4.443 -7.224 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -17.386 -2.878 -7.138 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -18.497 -3.295 -9.319 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -17.681 -4.840 -9.454 1.00 1.11 H new ATOM 810 N ALA A 60 -15.928 -0.570 -8.924 1.00 0.84 N ATOM 811 CA ALA A 60 -16.335 0.693 -9.545 1.00 0.92 C ATOM 812 C ALA A 60 -15.203 1.254 -10.430 1.00 0.95 C ATOM 813 O ALA A 60 -14.060 1.362 -9.979 1.00 0.92 O ATOM 814 CB ALA A 60 -16.720 1.661 -8.430 1.00 0.91 C ATOM 0 H ALA A 60 -15.328 -0.460 -8.106 1.00 0.84 H new ATOM 0 HA ALA A 60 -17.192 0.540 -10.201 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.028 2.612 -8.864 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.544 1.242 -7.853 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.863 1.821 -7.776 1.00 0.91 H new ATOM 820 N PRO A 61 -15.552 1.713 -11.638 1.00 1.04 N ATOM 821 CA PRO A 61 -14.586 2.259 -12.615 1.00 1.08 C ATOM 822 C PRO A 61 -13.912 3.555 -12.146 1.00 1.06 C ATOM 823 O PRO A 61 -12.687 3.654 -12.163 1.00 1.05 O ATOM 824 CB PRO A 61 -15.402 2.472 -13.889 1.00 1.20 C ATOM 825 CG PRO A 61 -16.812 2.752 -13.367 1.00 1.24 C ATOM 826 CD PRO A 61 -16.929 1.817 -12.165 1.00 1.13 C ATOM 0 HA PRO A 61 -13.752 1.573 -12.763 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -15.018 3.306 -14.477 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.379 1.592 -14.532 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -16.935 3.796 -13.079 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.570 2.537 -14.120 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.611 2.218 -11.415 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.316 0.841 -12.458 1.00 1.13 H new ATOM 834 N PHE A 62 -14.703 4.449 -11.546 1.00 1.08 N ATOM 835 CA PHE A 62 -14.193 5.717 -10.979 1.00 1.08 C ATOM 836 C PHE A 62 -13.164 5.472 -9.873 1.00 0.97 C ATOM 837 O PHE A 62 -12.244 6.261 -9.670 1.00 0.97 O ATOM 838 CB PHE A 62 -15.333 6.587 -10.436 1.00 1.15 C ATOM 839 CG PHE A 62 -16.072 5.949 -9.256 1.00 1.13 C ATOM 840 CD1 PHE A 62 -15.621 6.157 -7.959 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.210 5.190 -9.489 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.310 5.607 -6.891 1.00 1.10 C ATOM 843 CE2 PHE A 62 -17.909 4.653 -8.418 1.00 1.19 C ATOM 844 CZ PHE A 62 -17.455 4.853 -7.123 1.00 1.15 C ATOM 0 H PHE A 62 -15.709 4.323 -11.436 1.00 1.08 H new ATOM 0 HA PHE A 62 -13.703 6.247 -11.796 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -14.929 7.550 -10.125 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -16.044 6.784 -11.238 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -14.734 6.747 -7.783 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -17.550 5.018 -10.500 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -15.959 5.763 -5.882 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -18.807 4.079 -8.593 1.00 1.19 H new ATOM 0 HZ PHE A 62 -17.993 4.422 -6.292 1.00 1.15 H new ATOM 854 N LEU A 63 -13.292 4.327 -9.222 1.00 0.89 N ATOM 855 CA LEU A 63 -12.379 3.931 -8.170 1.00 0.79 C ATOM 856 C LEU A 63 -10.988 3.688 -8.740 1.00 0.80 C ATOM 857 O LEU A 63 -9.988 4.101 -8.160 1.00 0.80 O ATOM 858 CB LEU A 63 -12.891 2.659 -7.520 1.00 0.72 C ATOM 859 CG LEU A 63 -12.730 2.591 -6.018 1.00 0.64 C ATOM 860 CD1 LEU A 63 -14.100 2.664 -5.357 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.982 1.321 -5.639 1.00 0.63 C ATOM 0 H LEU A 63 -14.031 3.650 -9.410 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.319 4.729 -7.430 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -13.948 2.547 -7.761 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -12.372 1.809 -7.963 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.142 3.438 -5.664 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.985 2.615 -4.274 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.585 3.602 -5.628 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.712 1.828 -5.695 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.868 1.275 -4.556 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.544 0.452 -5.982 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.998 1.325 -6.108 1.00 0.63 H new ATOM 873 N LYS A 64 -10.945 3.025 -9.894 1.00 0.85 N ATOM 874 CA LYS A 64 -9.692 2.711 -10.577 1.00 0.90 C ATOM 875 C LYS A 64 -9.006 3.985 -11.085 1.00 0.94 C ATOM 876 O LYS A 64 -7.795 4.018 -11.262 1.00 0.99 O ATOM 877 CB LYS A 64 -9.968 1.760 -11.745 1.00 1.00 C ATOM 878 CG LYS A 64 -8.712 1.212 -12.403 1.00 1.10 C ATOM 879 CD LYS A 64 -9.016 0.587 -13.756 1.00 1.26 C ATOM 880 CE LYS A 64 -9.339 1.647 -14.799 1.00 1.46 C ATOM 881 NZ LYS A 64 -9.531 1.058 -16.152 1.00 1.71 N ATOM 0 H LYS A 64 -11.777 2.691 -10.381 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.022 2.229 -9.866 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -10.572 0.926 -11.387 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -10.560 2.284 -12.495 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -7.986 2.015 -12.528 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.255 0.467 -11.752 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -8.160 -0.002 -14.087 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -9.857 -0.099 -13.660 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -10.242 2.182 -14.505 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -8.532 2.379 -14.834 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -9.749 1.814 -16.832 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -8.661 0.570 -16.445 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -10.318 0.378 -16.126 1.00 1.71 H new ATOM 895 N LYS A 65 -9.804 5.021 -11.308 1.00 0.94 N ATOM 896 CA LYS A 65 -9.325 6.328 -11.794 1.00 0.99 C ATOM 897 C LYS A 65 -8.604 7.140 -10.715 1.00 0.96 C ATOM 898 O LYS A 65 -7.412 7.422 -10.841 1.00 1.01 O ATOM 899 CB LYS A 65 -10.502 7.133 -12.329 1.00 1.02 C ATOM 900 CG LYS A 65 -11.123 6.471 -13.559 1.00 1.09 C ATOM 901 CD LYS A 65 -12.227 7.348 -14.155 1.00 1.15 C ATOM 902 CE LYS A 65 -11.695 8.676 -14.713 1.00 1.21 C ATOM 903 NZ LYS A 65 -10.757 8.457 -15.824 1.00 1.29 N ATOM 0 H LYS A 65 -10.812 4.987 -11.158 1.00 0.94 H new ATOM 0 HA LYS A 65 -8.601 6.129 -12.584 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.257 7.236 -11.550 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.169 8.139 -12.585 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -10.352 6.292 -14.308 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -11.534 5.499 -13.285 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -12.730 6.800 -14.952 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -12.974 7.554 -13.389 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -12.529 9.288 -15.055 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.197 9.232 -13.919 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -10.561 9.362 -16.297 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -9.869 8.060 -15.456 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -11.176 7.793 -16.506 1.00 1.29 H new ATOM 917 N VAL A 66 -9.286 7.362 -9.594 1.00 0.90 N ATOM 918 CA VAL A 66 -8.697 8.089 -8.474 1.00 0.88 C ATOM 919 C VAL A 66 -7.475 7.343 -7.910 1.00 0.88 C ATOM 920 O VAL A 66 -6.554 7.972 -7.395 1.00 0.91 O ATOM 921 CB VAL A 66 -9.722 8.348 -7.348 1.00 0.85 C ATOM 922 CG1 VAL A 66 -10.928 9.089 -7.897 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.152 7.053 -6.671 1.00 0.85 C ATOM 0 H VAL A 66 -10.244 7.050 -9.438 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.374 9.055 -8.863 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.239 8.968 -6.592 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -11.643 9.266 -7.094 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -10.609 10.044 -8.315 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.399 8.490 -8.677 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -10.873 7.276 -5.885 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -10.610 6.392 -7.407 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.281 6.563 -6.236 1.00 0.85 H new ATOM 933 N ILE A 67 -7.461 6.002 -8.012 1.00 0.88 N ATOM 934 CA ILE A 67 -6.319 5.222 -7.523 1.00 0.91 C ATOM 935 C ILE A 67 -5.234 5.149 -8.593 1.00 0.98 C ATOM 936 O ILE A 67 -4.078 4.852 -8.297 1.00 1.05 O ATOM 937 CB ILE A 67 -6.681 3.791 -7.052 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.097 2.900 -8.228 1.00 0.93 C ATOM 939 CG2 ILE A 67 -7.773 3.837 -5.990 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.275 1.444 -7.853 1.00 1.00 C ATOM 0 H ILE A 67 -8.214 5.448 -8.421 1.00 0.88 H new ATOM 0 HA ILE A 67 -5.956 5.752 -6.642 1.00 0.91 H new ATOM 0 HB ILE A 67 -5.788 3.350 -6.609 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.031 3.276 -8.645 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.345 2.975 -9.013 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.014 2.823 -5.672 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.423 4.413 -5.133 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -8.664 4.308 -6.405 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -7.569 0.875 -8.735 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.336 1.051 -7.464 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -8.048 1.357 -7.090 1.00 1.00 H new ATOM 952 N GLN A 68 -5.615 5.382 -9.846 1.00 0.99 N ATOM 953 CA GLN A 68 -4.632 5.413 -10.942 1.00 1.08 C ATOM 954 C GLN A 68 -3.835 6.727 -10.915 1.00 1.06 C ATOM 955 O GLN A 68 -2.608 6.718 -11.015 1.00 1.09 O ATOM 956 CB GLN A 68 -5.347 5.267 -12.278 1.00 1.16 C ATOM 957 CG GLN A 68 -4.344 5.125 -13.415 1.00 1.27 C ATOM 958 CD GLN A 68 -5.065 5.084 -14.756 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.078 5.725 -14.998 1.00 1.41 O ATOM 960 NE2 GLN A 68 -4.489 4.328 -15.661 1.00 1.52 N ATOM 0 H GLN A 68 -6.579 5.550 -10.132 1.00 0.99 H new ATOM 0 HA GLN A 68 -3.937 4.584 -10.812 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.001 4.395 -12.252 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -5.981 6.136 -12.453 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -3.643 5.960 -13.397 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -3.759 4.215 -13.281 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -3.645 3.806 -15.427 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -4.886 4.263 -16.598 1.00 1.52 H new ATOM 969 N LYS A 69 -4.537 7.845 -10.719 1.00 1.05 N ATOM 970 CA LYS A 69 -3.907 9.170 -10.681 1.00 1.06 C ATOM 971 C LYS A 69 -2.866 9.300 -9.564 1.00 1.08 C ATOM 972 O LYS A 69 -1.884 10.027 -9.716 1.00 1.15 O ATOM 973 CB LYS A 69 -4.968 10.258 -10.505 1.00 1.03 C ATOM 974 CG LYS A 69 -5.628 10.690 -11.804 1.00 1.10 C ATOM 975 CD LYS A 69 -6.651 11.788 -11.557 1.00 1.19 C ATOM 976 CE LYS A 69 -7.091 12.449 -12.852 1.00 1.38 C ATOM 977 NZ LYS A 69 -8.074 13.540 -12.609 1.00 1.58 N ATOM 0 H LYS A 69 -5.548 7.860 -10.583 1.00 1.05 H new ATOM 0 HA LYS A 69 -3.391 9.294 -11.633 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -5.736 9.896 -9.822 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -4.508 11.128 -10.036 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -4.869 11.045 -12.501 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -6.114 9.834 -12.271 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -7.520 11.368 -11.049 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -6.225 12.539 -10.892 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -6.220 12.853 -13.368 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -7.533 11.701 -13.510 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -8.350 13.967 -13.516 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -8.916 13.150 -12.139 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -7.643 14.266 -12.002 1.00 1.58 H new ATOM 991 N ILE A 70 -3.076 8.603 -8.448 1.00 1.07 N ATOM 992 CA ILE A 70 -2.142 8.676 -7.322 1.00 1.12 C ATOM 993 C ILE A 70 -0.979 7.695 -7.476 1.00 1.25 C ATOM 994 O ILE A 70 -0.045 7.701 -6.673 1.00 1.37 O ATOM 995 CB ILE A 70 -2.846 8.427 -5.970 1.00 1.09 C ATOM 996 CG1 ILE A 70 -3.643 7.119 -6.001 1.00 1.09 C ATOM 997 CG2 ILE A 70 -3.749 9.602 -5.624 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.401 6.837 -4.720 1.00 1.19 C ATOM 0 H ILE A 70 -3.875 7.987 -8.298 1.00 1.07 H new ATOM 0 HA ILE A 70 -1.745 9.691 -7.329 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.084 8.335 -5.196 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.349 7.154 -6.830 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -2.960 6.292 -6.198 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.240 9.415 -4.669 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.152 10.511 -5.553 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -4.503 9.723 -6.402 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -4.941 5.895 -4.817 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -3.699 6.769 -3.889 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.109 7.644 -4.531 1.00 1.19 H new ATOM 1010 N LEU A 71 -1.036 6.859 -8.508 1.00 1.26 N ATOM 1011 CA LEU A 71 0.024 5.886 -8.763 1.00 1.41 C ATOM 1012 C LEU A 71 0.983 6.393 -9.837 1.00 1.52 C ATOM 1013 O LEU A 71 2.192 6.188 -9.743 1.00 1.64 O ATOM 1014 CB LEU A 71 -0.570 4.538 -9.180 1.00 1.45 C ATOM 1015 CG LEU A 71 -1.178 3.714 -8.042 1.00 1.55 C ATOM 1016 CD1 LEU A 71 -1.934 2.516 -8.596 1.00 1.67 C ATOM 1017 CD2 LEU A 71 -0.097 3.256 -7.072 1.00 1.60 C ATOM 0 H LEU A 71 -1.802 6.835 -9.181 1.00 1.26 H new ATOM 0 HA LEU A 71 0.584 5.750 -7.838 1.00 1.41 H new ATOM 0 HB2 LEU A 71 -1.340 4.715 -9.931 1.00 1.45 H new ATOM 0 HB3 LEU A 71 0.211 3.947 -9.658 1.00 1.45 H new ATOM 0 HG LEU A 71 -1.880 4.347 -7.500 1.00 1.55 H new ATOM 0 HD11 LEU A 71 -2.359 1.942 -7.773 1.00 1.67 H new ATOM 0 HD12 LEU A 71 -2.735 2.862 -9.249 1.00 1.67 H new ATOM 0 HD13 LEU A 71 -1.250 1.885 -9.163 1.00 1.67 H new ATOM 0 HD21 LEU A 71 -0.551 2.672 -6.271 1.00 1.60 H new ATOM 0 HD22 LEU A 71 0.631 2.641 -7.602 1.00 1.60 H new ATOM 0 HD23 LEU A 71 0.404 4.126 -6.648 1.00 1.60 H new ATOM 1029 N ASP A 72 0.435 7.056 -10.853 1.00 1.53 N ATOM 1030 CA ASP A 72 1.245 7.596 -11.942 1.00 1.68 C ATOM 1031 C ASP A 72 1.812 8.964 -11.567 1.00 1.68 C ATOM 1032 O ASP A 72 2.902 9.338 -12.005 1.00 1.76 O ATOM 1033 CB ASP A 72 0.415 7.703 -13.224 1.00 1.76 C ATOM 1034 CG ASP A 72 1.253 8.099 -14.427 1.00 2.00 C ATOM 1035 OD1 ASP A 72 1.945 7.219 -14.982 1.00 2.21 O ATOM 1036 OD2 ASP A 72 1.221 9.287 -14.810 1.00 2.06 O ATOM 0 H ASP A 72 -0.566 7.232 -10.945 1.00 1.53 H new ATOM 0 HA ASP A 72 2.076 6.913 -12.118 1.00 1.68 H new ATOM 0 HB2 ASP A 72 -0.069 6.746 -13.421 1.00 1.76 H new ATOM 0 HB3 ASP A 72 -0.378 8.437 -13.080 1.00 1.76 H new ATOM 1041 N GLY A 73 1.065 9.703 -10.748 1.00 1.62 N ATOM 1042 CA GLY A 73 1.506 11.019 -10.318 1.00 1.66 C ATOM 1043 C GLY A 73 2.604 10.947 -9.273 1.00 1.69 C ATOM 1044 O GLY A 73 3.289 11.937 -9.014 1.00 1.77 O ATOM 0 H GLY A 73 0.161 9.412 -10.375 1.00 1.62 H new ATOM 0 HA2 GLY A 73 1.866 11.579 -11.181 1.00 1.66 H new ATOM 0 HA3 GLY A 73 0.657 11.569 -9.912 1.00 1.66 H new ATOM 1048 N GLY A 74 2.773 9.767 -8.676 1.00 1.67 N ATOM 1049 CA GLY A 74 3.798 9.578 -7.666 1.00 1.75 C ATOM 1050 C GLY A 74 5.123 9.131 -8.261 1.00 1.85 C ATOM 1051 O GLY A 74 5.877 8.390 -7.630 1.00 2.09 O ATOM 0 H GLY A 74 2.215 8.937 -8.877 1.00 1.67 H new ATOM 0 HA2 GLY A 74 3.944 10.511 -7.121 1.00 1.75 H new ATOM 0 HA3 GLY A 74 3.459 8.836 -6.943 1.00 1.75 H new ATOM 1055 N ASN A 75 5.402 9.588 -9.478 1.00 1.80 N ATOM 1056 CA ASN A 75 6.635 9.238 -10.169 1.00 1.90 C ATOM 1057 C ASN A 75 7.175 10.436 -10.947 1.00 1.93 C ATOM 1058 O ASN A 75 8.358 10.492 -11.284 1.00 2.01 O ATOM 1059 CB ASN A 75 6.391 8.063 -11.118 1.00 1.95 C ATOM 1060 CG ASN A 75 7.674 7.378 -11.546 1.00 2.13 C ATOM 1061 OD1 ASN A 75 8.653 7.344 -10.801 1.00 2.29 O ATOM 1062 ND2 ASN A 75 7.674 6.826 -12.753 1.00 2.25 N ATOM 0 H ASN A 75 4.786 10.205 -10.007 1.00 1.80 H new ATOM 0 HA ASN A 75 7.376 8.946 -9.425 1.00 1.90 H new ATOM 0 HB2 ASN A 75 5.742 7.336 -10.630 1.00 1.95 H new ATOM 0 HB3 ASN A 75 5.862 8.419 -12.002 1.00 1.95 H new ATOM 0 HD21 ASN A 75 8.508 6.350 -13.096 1.00 2.25 H new ATOM 0 HD22 ASN A 75 6.840 6.878 -13.338 1.00 2.25 H new ATOM 1069 N LYS A 76 6.295 11.397 -11.230 1.00 1.89 N ATOM 1070 CA LYS A 76 6.673 12.598 -11.968 1.00 1.95 C ATOM 1071 C LYS A 76 7.408 13.582 -11.060 1.00 1.94 C ATOM 1072 O LYS A 76 8.362 14.237 -11.483 1.00 2.06 O ATOM 1073 CB LYS A 76 5.426 13.255 -12.569 1.00 1.98 C ATOM 1074 CG LYS A 76 5.707 14.532 -13.352 1.00 2.12 C ATOM 1075 CD LYS A 76 6.509 14.257 -14.617 1.00 2.23 C ATOM 1076 CE LYS A 76 6.989 15.547 -15.262 1.00 2.43 C ATOM 1077 NZ LYS A 76 7.972 16.266 -14.403 1.00 2.44 N ATOM 0 H LYS A 76 5.313 11.365 -10.957 1.00 1.89 H new ATOM 0 HA LYS A 76 7.348 12.313 -12.775 1.00 1.95 H new ATOM 0 HB2 LYS A 76 4.934 12.539 -13.228 1.00 1.98 H new ATOM 0 HB3 LYS A 76 4.726 13.482 -11.765 1.00 1.98 H new ATOM 0 HG2 LYS A 76 4.764 15.011 -13.617 1.00 2.12 H new ATOM 0 HG3 LYS A 76 6.254 15.232 -12.720 1.00 2.12 H new ATOM 0 HD2 LYS A 76 7.366 13.628 -14.376 1.00 2.23 H new ATOM 0 HD3 LYS A 76 5.895 13.701 -15.325 1.00 2.23 H new ATOM 0 HE2 LYS A 76 7.445 15.323 -16.226 1.00 2.43 H new ATOM 0 HE3 LYS A 76 6.135 16.195 -15.457 1.00 2.43 H new ATOM 0 HZ1 LYS A 76 8.498 16.955 -14.978 1.00 2.44 H new ATOM 0 HZ2 LYS A 76 7.469 16.764 -13.641 1.00 2.44 H new ATOM 0 HZ3 LYS A 76 8.637 15.582 -13.989 1.00 2.44 H new ATOM 1091 N GLU A 77 6.959 13.679 -9.811 1.00 1.87 N ATOM 1092 CA GLU A 77 7.573 14.578 -8.839 1.00 1.89 C ATOM 1093 C GLU A 77 8.838 13.942 -8.264 1.00 1.98 C ATOM 1094 O GLU A 77 8.767 13.007 -7.465 1.00 2.00 O ATOM 1095 CB GLU A 77 6.570 14.899 -7.725 1.00 1.87 C ATOM 1096 CG GLU A 77 6.924 16.124 -6.889 1.00 1.96 C ATOM 1097 CD GLU A 77 7.809 15.794 -5.702 1.00 2.31 C ATOM 1098 OE1 GLU A 77 7.339 15.079 -4.792 1.00 2.58 O ATOM 1099 OE2 GLU A 77 8.971 16.253 -5.680 1.00 2.70 O ATOM 0 H GLU A 77 6.170 13.144 -9.448 1.00 1.87 H new ATOM 0 HA GLU A 77 7.853 15.508 -9.333 1.00 1.89 H new ATOM 0 HB2 GLU A 77 5.587 15.051 -8.171 1.00 1.87 H new ATOM 0 HB3 GLU A 77 6.490 14.035 -7.065 1.00 1.87 H new ATOM 0 HG2 GLU A 77 7.430 16.855 -7.520 1.00 1.96 H new ATOM 0 HG3 GLU A 77 6.006 16.592 -6.532 1.00 1.96 H new ATOM 1106 N ASN A 78 9.995 14.448 -8.685 1.00 2.12 N ATOM 1107 CA ASN A 78 11.275 13.922 -8.221 1.00 2.28 C ATOM 1108 C ASN A 78 12.038 14.968 -7.413 1.00 2.39 C ATOM 1109 O ASN A 78 12.496 15.963 -8.014 1.00 2.53 O ATOM 1110 CB ASN A 78 12.125 13.457 -9.410 1.00 2.46 C ATOM 1111 CG ASN A 78 11.502 12.294 -10.164 1.00 2.45 C ATOM 1112 OD1 ASN A 78 11.642 12.186 -11.382 1.00 2.56 O ATOM 1113 ND2 ASN A 78 10.813 11.415 -9.445 1.00 2.39 N ATOM 1114 OXT ASN A 78 12.181 14.778 -6.188 1.00 2.41 O ATOM 0 H ASN A 78 10.072 15.221 -9.346 1.00 2.12 H new ATOM 0 HA ASN A 78 11.071 13.069 -7.574 1.00 2.28 H new ATOM 0 HB2 ASN A 78 12.269 14.292 -10.095 1.00 2.46 H new ATOM 0 HB3 ASN A 78 13.112 13.164 -9.052 1.00 2.46 H new ATOM 0 HD21 ASN A 78 10.376 10.614 -9.901 1.00 2.39 H new ATOM 0 HD22 ASN A 78 10.721 11.541 -8.437 1.00 2.39 H new TER 1121 ASN A 78 ATOM 1122 N LEU B 8 7.521 20.989 15.506 1.00 0.80 N ATOM 1123 CA LEU B 8 8.011 21.542 14.224 1.00 0.77 C ATOM 1124 C LEU B 8 9.481 21.998 14.368 1.00 0.77 C ATOM 1125 O LEU B 8 9.795 23.131 14.725 1.00 0.79 O ATOM 1126 CB LEU B 8 7.086 22.689 13.780 1.00 0.78 C ATOM 1127 CG LEU B 8 7.359 23.270 12.380 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.087 23.931 11.858 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.443 24.352 12.368 1.00 0.77 C ATOM 0 HA LEU B 8 7.989 20.774 13.451 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.057 22.332 13.809 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.164 23.496 14.509 1.00 0.78 H new ATOM 0 HG LEU B 8 7.692 22.433 11.766 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.272 24.345 10.867 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.290 23.190 11.798 1.00 0.77 H new ATOM 0 HD13 LEU B 8 5.789 24.731 12.535 1.00 0.77 H new ATOM 0 HD21 LEU B 8 8.583 24.716 11.350 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.139 25.179 13.010 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.380 23.933 12.735 1.00 0.77 H new ATOM 1141 N ARG B 9 10.348 21.000 14.311 1.00 0.75 N ATOM 1142 CA ARG B 9 11.800 21.232 14.431 1.00 0.75 C ATOM 1143 C ARG B 9 12.571 20.510 13.327 1.00 0.72 C ATOM 1144 O ARG B 9 13.168 21.143 12.461 1.00 0.71 O ATOM 1145 CB ARG B 9 12.315 20.902 15.845 1.00 0.79 C ATOM 1146 CG ARG B 9 12.044 19.463 16.297 1.00 0.79 C ATOM 1147 CD ARG B 9 12.756 19.136 17.606 1.00 0.82 C ATOM 1148 NE ARG B 9 12.534 17.718 17.940 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.417 17.175 18.430 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.330 17.905 18.665 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.388 15.885 18.732 1.00 0.84 N ATOM 0 H ARG B 9 10.085 20.023 14.183 1.00 0.75 H new ATOM 0 HA ARG B 9 11.983 22.297 14.287 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.389 21.085 15.879 1.00 0.79 H new ATOM 0 HB3 ARG B 9 11.852 21.587 16.556 1.00 0.79 H new ATOM 0 HG2 ARG B 9 10.971 19.317 16.421 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.373 18.771 15.522 1.00 0.79 H new ATOM 0 HD2 ARG B 9 13.823 19.337 17.513 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.380 19.773 18.407 1.00 0.82 H new ATOM 0 HE ARG B 9 13.317 17.084 17.780 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.336 18.906 18.470 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.490 17.463 19.040 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.218 15.309 18.590 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.536 15.468 19.106 1.00 0.84 H new ATOM 1165 N GLU B 10 12.509 19.176 13.357 1.00 0.71 N ATOM 1166 CA GLU B 10 13.285 18.300 12.471 1.00 0.68 C ATOM 1167 C GLU B 10 12.555 16.974 12.255 1.00 0.66 C ATOM 1168 O GLU B 10 12.241 16.257 13.207 1.00 0.68 O ATOM 1169 CB GLU B 10 14.655 18.003 13.092 1.00 0.70 C ATOM 1170 CG GLU B 10 15.534 19.252 13.212 1.00 0.72 C ATOM 1171 CD GLU B 10 16.928 18.968 13.773 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.410 17.829 13.581 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.492 19.910 14.368 1.00 0.77 O ATOM 0 H GLU B 10 11.910 18.666 14.006 1.00 0.71 H new ATOM 0 HA GLU B 10 13.409 18.811 11.516 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.514 17.567 14.081 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.170 17.258 12.486 1.00 0.70 H new ATOM 0 HG2 GLU B 10 15.634 19.712 12.229 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.034 19.978 13.854 1.00 0.72 H new ATOM 1180 N LEU B 11 12.166 16.777 11.006 1.00 0.63 N ATOM 1181 CA LEU B 11 11.464 15.555 10.576 1.00 0.61 C ATOM 1182 C LEU B 11 12.196 14.917 9.395 1.00 0.58 C ATOM 1183 O LEU B 11 12.671 15.606 8.491 1.00 0.57 O ATOM 1184 CB LEU B 11 10.030 15.906 10.182 1.00 0.60 C ATOM 1185 CG LEU B 11 9.238 16.437 11.376 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.636 17.801 11.039 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.153 15.440 11.780 1.00 0.64 C ATOM 0 H LEU B 11 12.322 17.450 10.256 1.00 0.63 H new ATOM 0 HA LEU B 11 11.445 14.840 11.399 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.042 16.654 9.389 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.535 15.022 9.779 1.00 0.60 H new ATOM 0 HG LEU B 11 9.911 16.561 12.224 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.073 18.172 11.896 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.435 18.502 10.799 1.00 0.65 H new ATOM 0 HD13 LEU B 11 7.970 17.703 10.182 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.597 15.832 12.632 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.472 15.284 10.943 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.614 14.491 12.054 1.00 0.64 H new ATOM 1199 N ARG B 12 12.245 13.599 9.444 1.00 0.57 N ATOM 1200 CA ARG B 12 12.975 12.792 8.446 1.00 0.55 C ATOM 1201 C ARG B 12 11.957 12.119 7.531 1.00 0.52 C ATOM 1202 O ARG B 12 10.867 11.748 7.973 1.00 0.52 O ATOM 1203 CB ARG B 12 13.809 11.713 9.160 1.00 0.57 C ATOM 1204 CG ARG B 12 14.587 12.203 10.391 1.00 0.60 C ATOM 1205 CD ARG B 12 15.409 13.451 10.068 1.00 0.61 C ATOM 1206 NE ARG B 12 16.260 13.842 11.192 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.573 13.677 11.147 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.114 12.497 11.419 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.350 14.722 10.922 1.00 0.68 N ATOM 0 H ARG B 12 11.786 13.046 10.168 1.00 0.57 H new ATOM 0 HA ARG B 12 13.641 13.432 7.866 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.144 10.905 9.467 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.516 11.290 8.446 1.00 0.57 H new ATOM 0 HG2 ARG B 12 13.891 12.423 11.200 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.247 11.412 10.745 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.028 13.263 9.191 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.739 14.273 9.815 1.00 0.61 H new ATOM 0 HE ARG B 12 15.834 14.249 12.025 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.518 11.707 11.665 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.127 12.379 11.382 1.00 0.68 H new ATOM 0 HH21 ARG B 12 17.937 15.645 10.785 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.363 14.606 10.885 1.00 0.68 H new ATOM 1223 N CYS B 13 12.327 11.957 6.265 1.00 0.50 N ATOM 1224 CA CYS B 13 11.509 11.188 5.311 1.00 0.48 C ATOM 1225 C CYS B 13 11.240 9.780 5.869 1.00 0.48 C ATOM 1226 O CYS B 13 12.038 9.243 6.636 1.00 0.49 O ATOM 1227 CB CYS B 13 12.250 11.078 3.980 1.00 0.47 C ATOM 1228 SG CYS B 13 12.227 12.605 2.971 1.00 0.48 S ATOM 0 H CYS B 13 13.184 12.343 5.869 1.00 0.50 H new ATOM 0 HA CYS B 13 10.558 11.699 5.159 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.286 10.803 4.177 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.810 10.267 3.399 1.00 0.47 H new ATOM 1233 N VAL B 14 10.101 9.208 5.479 1.00 0.46 N ATOM 1234 CA VAL B 14 9.738 7.832 5.901 1.00 0.46 C ATOM 1235 C VAL B 14 10.789 6.799 5.431 1.00 0.46 C ATOM 1236 O VAL B 14 11.019 5.778 6.072 1.00 0.47 O ATOM 1237 CB VAL B 14 8.292 7.473 5.484 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.045 7.393 3.975 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.821 6.168 6.127 1.00 0.46 C ATOM 0 H VAL B 14 9.412 9.661 4.878 1.00 0.46 H new ATOM 0 HA VAL B 14 9.751 7.798 6.990 1.00 0.46 H new ATOM 0 HB VAL B 14 7.709 8.317 5.854 1.00 0.45 H new ATOM 0 HG11 VAL B 14 7.002 7.136 3.790 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.267 8.357 3.518 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.690 6.629 3.541 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.801 5.953 5.808 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.477 5.354 5.820 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.849 6.266 7.212 1.00 0.46 H new ATOM 1249 N CYS B 15 11.397 7.110 4.291 1.00 0.45 N ATOM 1250 CA CYS B 15 12.444 6.300 3.652 1.00 0.45 C ATOM 1251 C CYS B 15 13.752 7.078 3.533 1.00 0.47 C ATOM 1252 O CYS B 15 13.857 8.015 2.741 1.00 0.47 O ATOM 1253 CB CYS B 15 12.011 5.902 2.247 1.00 0.43 C ATOM 1254 SG CYS B 15 10.727 4.616 2.246 1.00 0.42 S ATOM 0 H CYS B 15 11.173 7.955 3.766 1.00 0.45 H new ATOM 0 HA CYS B 15 12.598 5.419 4.275 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.638 6.782 1.723 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.878 5.544 1.692 1.00 0.43 H new ATOM 1259 N LEU B 16 14.685 6.730 4.408 1.00 0.49 N ATOM 1260 CA LEU B 16 16.043 7.308 4.359 1.00 0.52 C ATOM 1261 C LEU B 16 16.972 6.623 3.344 1.00 0.54 C ATOM 1262 O LEU B 16 17.813 7.272 2.715 1.00 0.55 O ATOM 1263 CB LEU B 16 16.673 7.317 5.756 1.00 0.55 C ATOM 1264 CG LEU B 16 15.937 8.248 6.732 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.577 8.148 8.116 1.00 0.58 C ATOM 1266 CD2 LEU B 16 15.952 9.709 6.258 1.00 0.54 C ATOM 0 H LEU B 16 14.539 6.056 5.160 1.00 0.49 H new ATOM 0 HA LEU B 16 15.925 8.333 4.008 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.673 6.303 6.157 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.715 7.629 5.678 1.00 0.55 H new ATOM 0 HG LEU B 16 14.896 7.927 6.776 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.054 8.809 8.807 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.510 7.121 8.475 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.625 8.443 8.055 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.420 10.331 6.978 1.00 0.54 H new ATOM 0 HD22 LEU B 16 16.983 10.053 6.172 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.464 9.781 5.286 1.00 0.54 H new ATOM 1278 N GLN B 17 16.780 5.333 3.175 1.00 0.53 N ATOM 1279 CA GLN B 17 17.563 4.480 2.276 1.00 0.55 C ATOM 1280 C GLN B 17 16.688 4.008 1.101 1.00 0.53 C ATOM 1281 O GLN B 17 15.500 4.318 1.011 1.00 0.50 O ATOM 1282 CB GLN B 17 18.164 3.290 3.050 1.00 0.58 C ATOM 1283 CG GLN B 17 17.162 2.228 3.537 1.00 0.56 C ATOM 1284 CD GLN B 17 16.235 2.676 4.678 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.312 3.731 5.282 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.307 1.820 5.023 1.00 0.54 N ATOM 0 H GLN B 17 16.051 4.821 3.672 1.00 0.53 H new ATOM 0 HA GLN B 17 18.392 5.058 1.867 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.900 2.801 2.412 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.701 3.679 3.915 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.547 1.917 2.692 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.719 1.351 3.866 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.225 0.931 4.530 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.666 2.042 5.784 1.00 0.54 H new ATOM 1295 N THR B 18 17.314 3.212 0.255 1.00 0.55 N ATOM 1296 CA THR B 18 16.667 2.616 -0.925 1.00 0.54 C ATOM 1297 C THR B 18 16.887 1.094 -0.978 1.00 0.55 C ATOM 1298 O THR B 18 17.479 0.497 -0.076 1.00 0.57 O ATOM 1299 CB THR B 18 17.189 3.350 -2.172 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.461 2.892 -3.307 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.698 3.187 -2.406 1.00 0.60 C ATOM 0 H THR B 18 18.295 2.951 0.358 1.00 0.55 H new ATOM 0 HA THR B 18 15.585 2.742 -0.874 1.00 0.54 H new ATOM 0 HB THR B 18 17.033 4.416 -2.009 1.00 0.56 H new ATOM 0 HG1 THR B 18 15.506 3.066 -3.175 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.988 3.733 -3.303 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.244 3.581 -1.549 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.935 2.130 -2.532 1.00 0.60 H new ATOM 1309 N THR B 19 16.489 0.491 -2.094 1.00 0.55 N ATOM 1310 CA THR B 19 16.594 -0.949 -2.379 1.00 0.57 C ATOM 1311 C THR B 19 16.564 -1.193 -3.897 1.00 0.58 C ATOM 1312 O THR B 19 15.989 -0.419 -4.673 1.00 0.57 O ATOM 1313 CB THR B 19 15.448 -1.707 -1.675 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.505 -1.468 -0.264 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.483 -3.221 -1.889 1.00 0.56 C ATOM 0 H THR B 19 16.065 1.010 -2.863 1.00 0.55 H new ATOM 0 HA THR B 19 17.543 -1.323 -1.995 1.00 0.57 H new ATOM 0 HB THR B 19 14.528 -1.328 -2.120 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.950 -0.692 -0.041 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.647 -3.682 -1.364 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.407 -3.440 -2.954 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.420 -3.622 -1.502 1.00 0.56 H new ATOM 1323 N GLN B 20 17.204 -2.289 -4.275 1.00 0.61 N ATOM 1324 CA GLN B 20 17.287 -2.799 -5.646 1.00 0.64 C ATOM 1325 C GLN B 20 16.878 -4.271 -5.739 1.00 0.64 C ATOM 1326 O GLN B 20 17.680 -5.193 -5.889 1.00 0.68 O ATOM 1327 CB GLN B 20 18.677 -2.532 -6.259 1.00 0.68 C ATOM 1328 CG GLN B 20 19.879 -3.244 -5.624 1.00 0.72 C ATOM 1329 CD GLN B 20 20.199 -2.843 -4.182 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.770 -1.856 -3.605 1.00 0.68 O ATOM 1331 NE2 GLN B 20 21.050 -3.620 -3.563 1.00 0.73 N ATOM 0 H GLN B 20 17.704 -2.878 -3.609 1.00 0.61 H new ATOM 0 HA GLN B 20 16.563 -2.247 -6.245 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.639 -2.810 -7.312 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.862 -1.459 -6.219 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.698 -4.319 -5.652 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.758 -3.053 -6.239 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.418 -4.448 -4.031 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.346 -3.398 -2.612 1.00 0.73 H new ATOM 1340 N GLY B 21 15.567 -4.464 -5.589 1.00 0.61 N ATOM 1341 CA GLY B 21 15.005 -5.799 -5.773 1.00 0.61 C ATOM 1342 C GLY B 21 14.729 -6.080 -7.266 1.00 0.63 C ATOM 1343 O GLY B 21 14.875 -5.171 -8.076 1.00 0.64 O ATOM 0 H GLY B 21 14.894 -3.737 -5.348 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.695 -6.546 -5.380 1.00 0.61 H new ATOM 0 HA3 GLY B 21 14.079 -5.890 -5.205 1.00 0.61 H new ATOM 1347 N VAL B 22 14.166 -7.208 -7.681 1.00 0.64 N ATOM 1348 CA VAL B 22 13.522 -8.392 -7.037 1.00 0.63 C ATOM 1349 C VAL B 22 12.276 -8.726 -7.886 1.00 0.62 C ATOM 1350 O VAL B 22 12.037 -8.101 -8.915 1.00 0.63 O ATOM 1351 CB VAL B 22 13.159 -8.248 -5.530 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.988 -7.297 -5.230 1.00 0.56 C ATOM 1353 CG2 VAL B 22 13.029 -9.595 -4.809 1.00 0.61 C ATOM 0 H VAL B 22 14.139 -7.357 -8.690 1.00 0.64 H new ATOM 0 HA VAL B 22 14.256 -9.198 -7.022 1.00 0.63 H new ATOM 0 HB VAL B 22 14.028 -7.748 -5.101 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.812 -7.264 -4.155 1.00 0.56 H new ATOM 0 HG12 VAL B 22 12.231 -6.297 -5.589 1.00 0.56 H new ATOM 0 HG13 VAL B 22 11.090 -7.655 -5.734 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.775 -9.425 -3.763 1.00 0.61 H new ATOM 0 HG22 VAL B 22 12.245 -10.186 -5.281 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.975 -10.133 -4.870 1.00 0.61 H new ATOM 1363 N HIS B 23 11.450 -9.653 -7.419 1.00 0.61 N ATOM 1364 CA HIS B 23 10.183 -9.977 -8.079 1.00 0.61 C ATOM 1365 C HIS B 23 9.002 -9.667 -7.137 1.00 0.57 C ATOM 1366 O HIS B 23 9.095 -9.936 -5.933 1.00 0.56 O ATOM 1367 CB HIS B 23 10.208 -11.448 -8.509 1.00 0.64 C ATOM 1368 CG HIS B 23 9.051 -11.785 -9.453 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.795 -11.999 -9.074 1.00 0.63 N ATOM 1370 CD2 HIS B 23 9.108 -11.950 -10.770 1.00 0.67 C ATOM 1371 CE1 HIS B 23 7.076 -12.313 -10.149 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.892 -12.283 -11.199 1.00 0.68 N ATOM 0 H HIS B 23 11.633 -10.201 -6.578 1.00 0.61 H new ATOM 0 HA HIS B 23 10.051 -9.363 -8.970 1.00 0.61 H new ATOM 0 HB2 HIS B 23 11.155 -11.666 -9.003 1.00 0.64 H new ATOM 0 HB3 HIS B 23 10.154 -12.085 -7.626 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.988 -11.834 -11.386 1.00 0.67 H new ATOM 0 HE1 HIS B 23 6.022 -12.549 -10.166 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.632 -12.481 -12.165 1.00 0.68 H new ATOM 1380 N PRO B 24 7.888 -9.176 -7.709 1.00 0.57 N ATOM 1381 CA PRO B 24 6.613 -8.933 -7.003 1.00 0.55 C ATOM 1382 C PRO B 24 6.136 -10.147 -6.208 1.00 0.55 C ATOM 1383 O PRO B 24 5.356 -9.984 -5.281 1.00 0.53 O ATOM 1384 CB PRO B 24 5.581 -8.722 -8.100 1.00 0.56 C ATOM 1385 CG PRO B 24 6.384 -8.120 -9.238 1.00 0.58 C ATOM 1386 CD PRO B 24 7.746 -8.791 -9.130 1.00 0.59 C ATOM 0 HA PRO B 24 6.743 -8.099 -6.313 1.00 0.55 H new ATOM 0 HB2 PRO B 24 5.111 -9.661 -8.394 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.783 -8.054 -7.776 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.918 -8.319 -10.203 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.464 -7.037 -9.140 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.806 -9.664 -9.780 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.543 -8.112 -9.434 1.00 0.59 H new ATOM 1394 N LYS B 25 6.607 -11.336 -6.577 1.00 0.57 N ATOM 1395 CA LYS B 25 6.266 -12.609 -5.926 1.00 0.58 C ATOM 1396 C LYS B 25 6.469 -12.567 -4.401 1.00 0.56 C ATOM 1397 O LYS B 25 5.745 -13.216 -3.657 1.00 0.57 O ATOM 1398 CB LYS B 25 7.132 -13.713 -6.527 1.00 0.61 C ATOM 1399 CG LYS B 25 6.321 -14.999 -6.669 1.00 0.62 C ATOM 1400 CD LYS B 25 7.126 -16.142 -7.291 1.00 0.66 C ATOM 1401 CE LYS B 25 8.204 -16.669 -6.342 1.00 0.67 C ATOM 1402 NZ LYS B 25 8.117 -18.131 -6.254 1.00 0.69 N ATOM 0 H LYS B 25 7.254 -11.449 -7.357 1.00 0.57 H new ATOM 0 HA LYS B 25 5.208 -12.802 -6.101 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.507 -13.401 -7.502 1.00 0.61 H new ATOM 0 HB3 LYS B 25 8.001 -13.890 -5.893 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.961 -15.306 -5.687 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.442 -14.803 -7.284 1.00 0.62 H new ATOM 0 HD2 LYS B 25 6.452 -16.955 -7.560 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.593 -15.796 -8.213 1.00 0.66 H new ATOM 0 HE2 LYS B 25 9.191 -16.375 -6.699 1.00 0.67 H new ATOM 0 HE3 LYS B 25 8.078 -16.228 -5.353 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.852 -18.484 -5.608 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 7.180 -18.402 -5.894 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 8.258 -18.545 -7.198 1.00 0.69 H new ATOM 1416 N MET B 26 7.418 -11.732 -3.970 1.00 0.55 N ATOM 1417 CA MET B 26 7.694 -11.490 -2.541 1.00 0.55 C ATOM 1418 C MET B 26 6.842 -10.363 -1.933 1.00 0.52 C ATOM 1419 O MET B 26 6.707 -10.252 -0.711 1.00 0.52 O ATOM 1420 CB MET B 26 9.187 -11.214 -2.343 1.00 0.57 C ATOM 1421 CG MET B 26 10.052 -12.454 -2.604 1.00 0.64 C ATOM 1422 SD MET B 26 9.822 -13.806 -1.387 1.00 0.75 S ATOM 1423 CE MET B 26 8.754 -14.922 -2.274 1.00 0.95 C ATOM 0 H MET B 26 8.021 -11.201 -4.599 1.00 0.55 H new ATOM 0 HA MET B 26 7.411 -12.396 -2.004 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.497 -10.411 -3.012 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.357 -10.864 -1.325 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.828 -12.836 -3.600 1.00 0.64 H new ATOM 0 HG3 MET B 26 11.101 -12.157 -2.605 1.00 0.64 H new ATOM 0 HE1 MET B 26 8.051 -15.382 -1.579 1.00 0.95 H new ATOM 0 HE2 MET B 26 8.203 -14.370 -3.036 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.353 -15.698 -2.751 1.00 0.95 H new ATOM 1433 N ILE B 27 6.292 -9.506 -2.784 1.00 0.50 N ATOM 1434 CA ILE B 27 5.479 -8.379 -2.325 1.00 0.48 C ATOM 1435 C ILE B 27 3.995 -8.746 -2.258 1.00 0.49 C ATOM 1436 O ILE B 27 3.478 -9.435 -3.138 1.00 0.56 O ATOM 1437 CB ILE B 27 5.659 -7.156 -3.256 1.00 0.52 C ATOM 1438 CG1 ILE B 27 7.148 -6.884 -3.513 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.987 -5.923 -2.663 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.939 -6.544 -2.265 1.00 0.58 C ATOM 0 H ILE B 27 6.392 -9.567 -3.797 1.00 0.50 H new ATOM 0 HA ILE B 27 5.822 -8.126 -1.322 1.00 0.48 H new ATOM 0 HB ILE B 27 5.181 -7.383 -4.209 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.591 -7.762 -3.983 1.00 0.56 H new ATOM 0 HG13 ILE B 27 7.239 -6.062 -4.223 1.00 0.56 H new ATOM 0 HG21 ILE B 27 5.126 -5.075 -3.334 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.922 -6.115 -2.536 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.432 -5.696 -1.694 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.981 -6.366 -2.532 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.524 -5.648 -1.804 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.882 -7.374 -1.561 1.00 0.58 H new ATOM 1452 N SER B 28 3.314 -8.281 -1.208 1.00 0.47 N ATOM 1453 CA SER B 28 1.892 -8.561 -1.030 1.00 0.54 C ATOM 1454 C SER B 28 1.144 -7.335 -0.495 1.00 0.55 C ATOM 1455 O SER B 28 -0.060 -7.395 -0.241 1.00 0.70 O ATOM 1456 CB SER B 28 1.702 -9.751 -0.085 1.00 0.61 C ATOM 1457 OG SER B 28 2.213 -10.943 -0.660 1.00 0.68 O ATOM 0 H SER B 28 3.726 -7.710 -0.470 1.00 0.47 H new ATOM 0 HA SER B 28 1.474 -8.809 -2.006 1.00 0.54 H new ATOM 0 HB2 SER B 28 2.207 -9.553 0.860 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.643 -9.876 0.140 1.00 0.61 H new ATOM 0 HG SER B 28 1.539 -11.651 -0.597 1.00 0.68 H new ATOM 1463 N ASN B 29 1.864 -6.227 -0.331 1.00 0.49 N ATOM 1464 CA ASN B 29 1.273 -4.984 0.166 1.00 0.50 C ATOM 1465 C ASN B 29 1.997 -3.771 -0.416 1.00 0.49 C ATOM 1466 O ASN B 29 3.227 -3.748 -0.490 1.00 0.49 O ATOM 1467 CB ASN B 29 1.315 -4.950 1.703 1.00 0.54 C ATOM 1468 CG ASN B 29 0.966 -3.589 2.281 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.207 -3.225 2.381 1.00 0.67 O ATOM 1470 ND2 ASN B 29 1.982 -2.834 2.678 1.00 0.83 N ATOM 0 H ASN B 29 2.861 -6.164 -0.536 1.00 0.49 H new ATOM 0 HA ASN B 29 0.232 -4.946 -0.155 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.621 -5.693 2.096 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.312 -5.236 2.039 1.00 0.54 H new ATOM 0 HD21 ASN B 29 1.806 -1.915 3.084 1.00 0.83 H new ATOM 0 HD22 ASN B 29 2.939 -3.173 2.578 1.00 0.83 H new ATOM 1477 N LEU B 30 1.230 -2.764 -0.830 1.00 0.53 N ATOM 1478 CA LEU B 30 1.802 -1.550 -1.407 1.00 0.55 C ATOM 1479 C LEU B 30 1.267 -0.301 -0.713 1.00 0.56 C ATOM 1480 O LEU B 30 0.059 -0.099 -0.626 1.00 0.75 O ATOM 1481 CB LEU B 30 1.501 -1.477 -2.905 1.00 0.60 C ATOM 1482 CG LEU B 30 1.946 -0.185 -3.595 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.463 -0.096 -3.637 1.00 0.74 C ATOM 1484 CD2 LEU B 30 1.366 -0.098 -4.997 1.00 0.75 C ATOM 0 H LEU B 30 0.211 -2.765 -0.776 1.00 0.53 H new ATOM 0 HA LEU B 30 2.881 -1.591 -1.258 1.00 0.55 H new ATOM 0 HB2 LEU B 30 1.985 -2.319 -3.399 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.427 -1.597 -3.050 1.00 0.60 H new ATOM 0 HG LEU B 30 1.569 0.658 -3.017 1.00 0.69 H new ATOM 0 HD11 LEU B 30 3.760 0.829 -4.131 1.00 0.74 H new ATOM 0 HD12 LEU B 30 3.856 -0.107 -2.621 1.00 0.74 H new ATOM 0 HD13 LEU B 30 3.862 -0.947 -4.189 1.00 0.74 H new ATOM 0 HD21 LEU B 30 1.694 0.828 -5.470 1.00 0.75 H new ATOM 0 HD22 LEU B 30 1.709 -0.948 -5.586 1.00 0.75 H new ATOM 0 HD23 LEU B 30 0.277 -0.111 -4.942 1.00 0.75 H new ATOM 1496 N GLN B 31 2.177 0.536 -0.227 1.00 0.50 N ATOM 1497 CA GLN B 31 1.801 1.772 0.454 1.00 0.50 C ATOM 1498 C GLN B 31 2.397 2.985 -0.256 1.00 0.51 C ATOM 1499 O GLN B 31 3.615 3.101 -0.402 1.00 0.60 O ATOM 1500 CB GLN B 31 2.260 1.738 1.913 1.00 0.53 C ATOM 1501 CG GLN B 31 1.620 0.630 2.733 1.00 0.57 C ATOM 1502 CD GLN B 31 2.260 0.468 4.096 1.00 0.75 C ATOM 1503 OE1 GLN B 31 3.195 -0.314 4.267 1.00 1.08 O ATOM 1504 NE2 GLN B 31 1.760 1.210 5.077 1.00 1.01 N ATOM 0 H GLN B 31 3.183 0.381 -0.292 1.00 0.50 H new ATOM 0 HA GLN B 31 0.715 1.857 0.428 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.343 1.618 1.940 1.00 0.53 H new ATOM 0 HB3 GLN B 31 2.034 2.698 2.378 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.558 0.843 2.858 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.695 -0.310 2.187 1.00 0.57 H new ATOM 0 HE21 GLN B 31 0.984 1.846 4.891 1.00 1.01 H new ATOM 0 HE22 GLN B 31 2.152 1.144 6.016 1.00 1.01 H new ATOM 1513 N VAL B 32 1.525 3.886 -0.701 1.00 0.49 N ATOM 1514 CA VAL B 32 1.953 5.092 -1.401 1.00 0.51 C ATOM 1515 C VAL B 32 1.878 6.310 -0.487 1.00 0.49 C ATOM 1516 O VAL B 32 0.816 6.629 0.047 1.00 0.61 O ATOM 1517 CB VAL B 32 1.092 5.345 -2.660 1.00 0.56 C ATOM 1518 CG1 VAL B 32 1.645 6.507 -3.474 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.011 4.086 -3.511 1.00 0.59 C ATOM 0 H VAL B 32 0.515 3.802 -0.588 1.00 0.49 H new ATOM 0 HA VAL B 32 2.988 4.936 -1.706 1.00 0.51 H new ATOM 0 HB VAL B 32 0.086 5.610 -2.336 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.021 6.664 -4.354 1.00 0.61 H new ATOM 0 HG12 VAL B 32 1.646 7.410 -2.864 1.00 0.61 H new ATOM 0 HG13 VAL B 32 2.664 6.279 -3.787 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.401 4.282 -4.393 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.014 3.791 -3.821 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.560 3.282 -2.929 1.00 0.59 H new ATOM 1529 N PHE B 33 3.007 6.987 -0.313 1.00 0.48 N ATOM 1530 CA PHE B 33 3.070 8.169 0.541 1.00 0.48 C ATOM 1531 C PHE B 33 3.334 9.424 -0.286 1.00 0.50 C ATOM 1532 O PHE B 33 4.266 9.465 -1.089 1.00 0.56 O ATOM 1533 CB PHE B 33 4.164 7.999 1.596 1.00 0.53 C ATOM 1534 CG PHE B 33 3.697 7.301 2.843 1.00 0.57 C ATOM 1535 CD1 PHE B 33 3.147 8.025 3.887 1.00 0.70 C ATOM 1536 CD2 PHE B 33 3.811 5.925 2.974 1.00 0.65 C ATOM 1537 CE1 PHE B 33 2.715 7.395 5.037 1.00 0.85 C ATOM 1538 CE2 PHE B 33 3.382 5.287 4.124 1.00 0.78 C ATOM 1539 CZ PHE B 33 2.835 6.024 5.156 1.00 0.86 C ATOM 0 H PHE B 33 3.893 6.738 -0.752 1.00 0.48 H new ATOM 0 HA PHE B 33 2.107 8.281 1.039 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.990 7.436 1.162 1.00 0.53 H new ATOM 0 HB3 PHE B 33 4.554 8.981 1.864 1.00 0.53 H new ATOM 0 HD1 PHE B 33 3.055 9.098 3.801 1.00 0.70 H new ATOM 0 HD2 PHE B 33 4.239 5.345 2.170 1.00 0.65 H new ATOM 0 HE1 PHE B 33 2.284 7.973 5.842 1.00 0.85 H new ATOM 0 HE2 PHE B 33 3.475 4.215 4.215 1.00 0.78 H new ATOM 0 HZ PHE B 33 2.501 5.529 6.056 1.00 0.86 H new ATOM 1549 N ALA B 34 2.506 10.450 -0.085 1.00 0.50 N ATOM 1550 CA ALA B 34 2.658 11.706 -0.815 1.00 0.55 C ATOM 1551 C ALA B 34 3.559 12.691 -0.068 1.00 0.54 C ATOM 1552 O ALA B 34 4.363 12.300 0.780 1.00 0.58 O ATOM 1553 CB ALA B 34 1.293 12.325 -1.078 1.00 0.61 C ATOM 0 H ALA B 34 1.728 10.435 0.574 1.00 0.50 H new ATOM 0 HA ALA B 34 3.139 11.483 -1.767 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.417 13.261 -1.623 1.00 0.61 H new ATOM 0 HB2 ALA B 34 0.690 11.637 -1.671 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.793 12.521 -0.129 1.00 0.61 H new ATOM 1559 N ILE B 35 3.419 13.973 -0.400 1.00 0.60 N ATOM 1560 CA ILE B 35 4.212 15.031 0.217 1.00 0.63 C ATOM 1561 C ILE B 35 3.682 15.388 1.609 1.00 0.59 C ATOM 1562 O ILE B 35 2.490 15.651 1.783 1.00 0.63 O ATOM 1563 CB ILE B 35 4.225 16.292 -0.679 1.00 0.75 C ATOM 1564 CG1 ILE B 35 4.964 16.001 -1.990 1.00 0.90 C ATOM 1565 CG2 ILE B 35 4.861 17.473 0.046 1.00 0.77 C ATOM 1566 CD1 ILE B 35 4.898 17.134 -2.992 1.00 1.10 C ATOM 0 H ILE B 35 2.756 14.305 -1.101 1.00 0.60 H new ATOM 0 HA ILE B 35 5.230 14.658 0.325 1.00 0.63 H new ATOM 0 HB ILE B 35 3.194 16.559 -0.910 1.00 0.75 H new ATOM 0 HG12 ILE B 35 6.009 15.786 -1.767 1.00 0.90 H new ATOM 0 HG13 ILE B 35 4.543 15.103 -2.442 1.00 0.90 H new ATOM 0 HG21 ILE B 35 4.857 18.346 -0.607 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.293 17.693 0.950 1.00 0.77 H new ATOM 0 HG23 ILE B 35 5.888 17.225 0.314 1.00 0.77 H new ATOM 0 HD11 ILE B 35 5.443 16.855 -3.894 1.00 1.10 H new ATOM 0 HD12 ILE B 35 3.857 17.336 -3.245 1.00 1.10 H new ATOM 0 HD13 ILE B 35 5.346 18.029 -2.560 1.00 1.10 H new ATOM 1578 N GLY B 36 4.579 15.387 2.593 1.00 0.58 N ATOM 1579 CA GLY B 36 4.201 15.711 3.957 1.00 0.59 C ATOM 1580 C GLY B 36 5.158 16.699 4.605 1.00 0.63 C ATOM 1581 O GLY B 36 5.981 17.305 3.917 1.00 0.63 O ATOM 0 H GLY B 36 5.567 15.166 2.467 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.194 16.128 3.963 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.171 14.797 4.550 1.00 0.59 H new ATOM 1585 N PRO B 37 5.071 16.881 5.938 1.00 0.67 N ATOM 1586 CA PRO B 37 5.937 17.804 6.685 1.00 0.73 C ATOM 1587 C PRO B 37 7.340 17.243 6.917 1.00 0.71 C ATOM 1588 O PRO B 37 8.237 17.951 7.378 1.00 0.77 O ATOM 1589 CB PRO B 37 5.209 17.973 8.032 1.00 0.79 C ATOM 1590 CG PRO B 37 3.909 17.249 7.898 1.00 0.77 C ATOM 1591 CD PRO B 37 4.113 16.217 6.827 1.00 0.69 C ATOM 0 HA PRO B 37 6.089 18.736 6.140 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.801 17.561 8.849 1.00 0.79 H new ATOM 0 HB3 PRO B 37 5.046 19.027 8.257 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.625 16.781 8.841 1.00 0.77 H new ATOM 0 HG3 PRO B 37 3.107 17.936 7.629 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.509 15.285 7.230 1.00 0.69 H new ATOM 0 HD3 PRO B 37 3.183 15.973 6.314 1.00 0.69 H new ATOM 1599 N GLN B 38 7.521 15.966 6.596 1.00 0.65 N ATOM 1600 CA GLN B 38 8.815 15.291 6.774 1.00 0.65 C ATOM 1601 C GLN B 38 9.527 14.992 5.445 1.00 0.61 C ATOM 1602 O GLN B 38 10.729 14.737 5.418 1.00 0.63 O ATOM 1603 CB GLN B 38 8.599 14.002 7.578 1.00 0.65 C ATOM 1604 CG GLN B 38 7.705 12.971 6.881 1.00 0.59 C ATOM 1605 CD GLN B 38 7.546 11.729 7.752 1.00 0.63 C ATOM 1606 OE1 GLN B 38 7.021 11.759 8.851 1.00 0.71 O ATOM 1607 NE2 GLN B 38 7.954 10.604 7.219 1.00 0.61 N ATOM 0 H GLN B 38 6.789 15.370 6.209 1.00 0.65 H new ATOM 0 HA GLN B 38 9.472 15.969 7.318 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.568 13.547 7.782 1.00 0.65 H new ATOM 0 HB3 GLN B 38 8.158 14.257 8.541 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.727 13.407 6.677 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.138 12.696 5.919 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.391 10.605 6.297 1.00 0.61 H new ATOM 0 HE22 GLN B 38 7.835 9.727 7.726 1.00 0.61 H new ATOM 1616 N CYS B 39 8.762 14.965 4.359 1.00 0.56 N ATOM 1617 CA CYS B 39 9.314 14.647 3.046 1.00 0.54 C ATOM 1618 C CYS B 39 8.560 15.379 1.943 1.00 0.59 C ATOM 1619 O CYS B 39 7.341 15.254 1.824 1.00 0.67 O ATOM 1620 CB CYS B 39 9.236 13.131 2.816 1.00 0.48 C ATOM 1621 SG CYS B 39 10.579 12.441 1.795 1.00 0.47 S ATOM 0 H CYS B 39 7.761 15.159 4.361 1.00 0.56 H new ATOM 0 HA CYS B 39 10.354 14.972 3.017 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.241 12.630 3.784 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.282 12.898 2.342 1.00 0.48 H new ATOM 1626 N SER B 40 9.290 16.138 1.130 1.00 0.64 N ATOM 1627 CA SER B 40 8.686 16.886 0.031 1.00 0.73 C ATOM 1628 C SER B 40 8.777 16.096 -1.274 1.00 0.72 C ATOM 1629 O SER B 40 8.687 16.659 -2.366 1.00 1.00 O ATOM 1630 CB SER B 40 9.375 18.247 -0.120 1.00 0.87 C ATOM 1631 OG SER B 40 8.606 19.123 -0.928 1.00 1.01 O ATOM 0 H SER B 40 10.300 16.251 1.211 1.00 0.64 H new ATOM 0 HA SER B 40 7.632 17.047 0.259 1.00 0.73 H new ATOM 0 HB2 SER B 40 9.526 18.693 0.863 1.00 0.87 H new ATOM 0 HB3 SER B 40 10.362 18.111 -0.563 1.00 0.87 H new ATOM 0 HG SER B 40 8.348 18.664 -1.755 1.00 1.01 H new ATOM 1637 N LYS B 41 8.947 14.784 -1.147 1.00 0.66 N ATOM 1638 CA LYS B 41 9.054 13.903 -2.301 1.00 0.64 C ATOM 1639 C LYS B 41 8.187 12.660 -2.111 1.00 0.61 C ATOM 1640 O LYS B 41 7.932 12.239 -0.982 1.00 0.61 O ATOM 1641 CB LYS B 41 10.516 13.500 -2.512 1.00 0.64 C ATOM 1642 CG LYS B 41 10.762 12.702 -3.785 1.00 0.71 C ATOM 1643 CD LYS B 41 12.214 12.267 -3.896 1.00 0.81 C ATOM 1644 CE LYS B 41 12.438 11.381 -5.109 1.00 0.97 C ATOM 1645 NZ LYS B 41 13.846 10.908 -5.199 1.00 1.16 N ATOM 0 H LYS B 41 9.014 14.306 -0.248 1.00 0.66 H new ATOM 0 HA LYS B 41 8.699 14.437 -3.183 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.130 14.400 -2.536 1.00 0.64 H new ATOM 0 HB3 LYS B 41 10.847 12.911 -1.657 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.116 11.824 -3.796 1.00 0.71 H new ATOM 0 HG3 LYS B 41 10.494 13.306 -4.652 1.00 0.71 H new ATOM 0 HD2 LYS B 41 12.854 13.147 -3.963 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.504 11.730 -2.993 1.00 0.81 H new ATOM 0 HE2 LYS B 41 11.769 10.522 -5.059 1.00 0.97 H new ATOM 0 HE3 LYS B 41 12.182 11.933 -6.014 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 13.957 10.307 -6.040 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 14.483 11.727 -5.272 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.083 10.360 -4.348 1.00 1.16 H new ATOM 1659 N VAL B 42 7.735 12.082 -3.219 1.00 0.61 N ATOM 1660 CA VAL B 42 6.905 10.885 -3.174 1.00 0.62 C ATOM 1661 C VAL B 42 7.762 9.624 -3.072 1.00 0.60 C ATOM 1662 O VAL B 42 8.677 9.407 -3.871 1.00 0.68 O ATOM 1663 CB VAL B 42 5.983 10.782 -4.408 1.00 0.68 C ATOM 1664 CG1 VAL B 42 4.818 11.751 -4.281 1.00 0.72 C ATOM 1665 CG2 VAL B 42 6.759 11.045 -5.692 1.00 0.78 C ATOM 0 H VAL B 42 7.930 12.424 -4.160 1.00 0.61 H new ATOM 0 HA VAL B 42 6.283 10.967 -2.283 1.00 0.62 H new ATOM 0 HB VAL B 42 5.589 9.767 -4.454 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.177 11.666 -5.159 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.242 11.512 -3.387 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.199 12.770 -4.206 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.086 10.966 -6.546 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.188 12.046 -5.659 1.00 0.78 H new ATOM 0 HG23 VAL B 42 7.558 10.311 -5.791 1.00 0.78 H new ATOM 1675 N GLU B 43 7.463 8.796 -2.075 1.00 0.56 N ATOM 1676 CA GLU B 43 8.204 7.559 -1.855 1.00 0.54 C ATOM 1677 C GLU B 43 7.252 6.367 -1.808 1.00 0.53 C ATOM 1678 O GLU B 43 6.183 6.441 -1.204 1.00 0.57 O ATOM 1679 CB GLU B 43 9.007 7.647 -0.552 1.00 0.54 C ATOM 1680 CG GLU B 43 9.844 8.912 -0.441 1.00 0.61 C ATOM 1681 CD GLU B 43 10.672 8.960 0.827 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.087 9.159 1.914 1.00 0.80 O ATOM 1683 OE2 GLU B 43 11.905 8.798 0.732 1.00 0.77 O ATOM 0 H GLU B 43 6.711 8.960 -1.406 1.00 0.56 H new ATOM 0 HA GLU B 43 8.896 7.417 -2.685 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.320 7.600 0.293 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.663 6.779 -0.479 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.506 8.981 -1.304 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.187 9.781 -0.473 1.00 0.61 H new ATOM 1690 N VAL B 44 7.647 5.270 -2.450 1.00 0.51 N ATOM 1691 CA VAL B 44 6.814 4.070 -2.484 1.00 0.51 C ATOM 1692 C VAL B 44 7.385 2.955 -1.608 1.00 0.49 C ATOM 1693 O VAL B 44 8.438 2.384 -1.899 1.00 0.53 O ATOM 1694 CB VAL B 44 6.607 3.546 -3.926 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.524 4.350 -4.629 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.903 3.593 -4.721 1.00 0.59 C ATOM 0 H VAL B 44 8.532 5.187 -2.950 1.00 0.51 H new ATOM 0 HA VAL B 44 5.844 4.365 -2.083 1.00 0.51 H new ATOM 0 HB VAL B 44 6.290 2.505 -3.864 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.389 3.971 -5.642 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.587 4.258 -4.079 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.818 5.399 -4.670 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.725 3.219 -5.729 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.261 4.621 -4.773 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.653 2.973 -4.231 1.00 0.59 H new ATOM 1706 N VAL B 45 6.675 2.666 -0.524 1.00 0.47 N ATOM 1707 CA VAL B 45 7.071 1.608 0.428 1.00 0.46 C ATOM 1708 C VAL B 45 6.247 0.321 0.190 1.00 0.48 C ATOM 1709 O VAL B 45 5.163 0.328 -0.398 1.00 0.51 O ATOM 1710 CB VAL B 45 7.029 2.084 1.900 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.413 3.541 2.044 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.663 2.122 2.542 1.00 0.62 C ATOM 0 H VAL B 45 5.813 3.149 -0.272 1.00 0.47 H new ATOM 0 HA VAL B 45 8.116 1.366 0.235 1.00 0.46 H new ATOM 0 HB VAL B 45 7.697 1.356 2.361 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.368 3.827 3.095 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.426 3.689 1.671 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.721 4.158 1.470 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.754 2.470 3.571 1.00 0.62 H new ATOM 0 HG22 VAL B 45 5.018 2.802 1.985 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.229 1.122 2.534 1.00 0.62 H new ATOM 1722 N ALA B 46 6.861 -0.804 0.500 1.00 0.48 N ATOM 1723 CA ALA B 46 6.224 -2.127 0.339 1.00 0.51 C ATOM 1724 C ALA B 46 6.564 -3.053 1.510 1.00 0.51 C ATOM 1725 O ALA B 46 7.587 -2.877 2.179 1.00 0.50 O ATOM 1726 CB ALA B 46 6.668 -2.763 -0.983 1.00 0.55 C ATOM 0 H ALA B 46 7.811 -0.843 0.870 1.00 0.48 H new ATOM 0 HA ALA B 46 5.143 -1.985 0.326 1.00 0.51 H new ATOM 0 HB1 ALA B 46 6.194 -3.738 -1.095 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.375 -2.120 -1.813 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.751 -2.884 -0.983 1.00 0.55 H new ATOM 1732 N SER B 47 5.667 -3.994 1.760 1.00 0.54 N ATOM 1733 CA SER B 47 5.853 -5.017 2.805 1.00 0.57 C ATOM 1734 C SER B 47 5.742 -6.420 2.206 1.00 0.60 C ATOM 1735 O SER B 47 4.817 -6.736 1.447 1.00 0.63 O ATOM 1736 CB SER B 47 4.817 -4.875 3.920 1.00 0.60 C ATOM 1737 OG SER B 47 4.846 -3.546 4.448 1.00 0.58 O ATOM 0 H SER B 47 4.787 -4.079 1.251 1.00 0.54 H new ATOM 0 HA SER B 47 6.847 -4.869 3.226 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.823 -5.100 3.535 1.00 0.60 H new ATOM 0 HB3 SER B 47 5.022 -5.595 4.712 1.00 0.60 H new ATOM 0 HG SER B 47 4.178 -3.462 5.161 1.00 0.58 H new ATOM 1743 N LEU B 48 6.700 -7.267 2.570 1.00 0.62 N ATOM 1744 CA LEU B 48 6.742 -8.644 2.095 1.00 0.67 C ATOM 1745 C LEU B 48 5.727 -9.506 2.843 1.00 0.71 C ATOM 1746 O LEU B 48 5.155 -9.079 3.846 1.00 0.70 O ATOM 1747 CB LEU B 48 8.147 -9.229 2.277 1.00 0.68 C ATOM 1748 CG LEU B 48 9.184 -8.809 1.229 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.703 -7.405 1.507 1.00 0.70 C ATOM 1750 CD2 LEU B 48 10.331 -9.806 1.194 1.00 0.75 C ATOM 0 H LEU B 48 7.464 -7.019 3.199 1.00 0.62 H new ATOM 0 HA LEU B 48 6.489 -8.643 1.035 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.516 -8.941 3.262 1.00 0.68 H new ATOM 0 HB3 LEU B 48 8.071 -10.316 2.271 1.00 0.68 H new ATOM 0 HG LEU B 48 8.699 -8.800 0.253 1.00 0.70 H new ATOM 0 HD11 LEU B 48 10.437 -7.132 0.749 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.873 -6.698 1.480 1.00 0.70 H new ATOM 0 HD13 LEU B 48 10.171 -7.378 2.491 1.00 0.70 H new ATOM 0 HD21 LEU B 48 11.060 -9.496 0.446 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.809 -9.845 2.173 1.00 0.75 H new ATOM 0 HD23 LEU B 48 9.947 -10.794 0.939 1.00 0.75 H new ATOM 1762 N LYS B 49 5.518 -10.723 2.350 1.00 0.76 N ATOM 1763 CA LYS B 49 4.579 -11.653 2.971 1.00 0.82 C ATOM 1764 C LYS B 49 5.196 -12.293 4.219 1.00 0.84 C ATOM 1765 O LYS B 49 4.496 -12.895 5.033 1.00 0.89 O ATOM 1766 CB LYS B 49 4.168 -12.735 1.966 1.00 0.89 C ATOM 1767 CG LYS B 49 2.977 -13.572 2.413 1.00 0.98 C ATOM 1768 CD LYS B 49 1.713 -12.732 2.532 1.00 1.05 C ATOM 1769 CE LYS B 49 0.528 -13.569 2.988 1.00 1.23 C ATOM 1770 NZ LYS B 49 0.751 -14.167 4.333 1.00 1.27 N ATOM 0 H LYS B 49 5.987 -11.089 1.521 1.00 0.76 H new ATOM 0 HA LYS B 49 3.692 -11.098 3.275 1.00 0.82 H new ATOM 0 HB2 LYS B 49 3.930 -12.261 1.014 1.00 0.89 H new ATOM 0 HB3 LYS B 49 5.018 -13.395 1.790 1.00 0.89 H new ATOM 0 HG2 LYS B 49 2.812 -14.380 1.700 1.00 0.98 H new ATOM 0 HG3 LYS B 49 3.198 -14.036 3.374 1.00 0.98 H new ATOM 0 HD2 LYS B 49 1.880 -11.920 3.240 1.00 1.05 H new ATOM 0 HD3 LYS B 49 1.487 -12.274 1.569 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -0.367 -12.947 3.012 1.00 1.23 H new ATOM 0 HE3 LYS B 49 0.345 -14.363 2.264 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -0.144 -14.555 4.693 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 1.455 -14.929 4.262 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 1.098 -13.435 4.985 1.00 1.27 H new ATOM 1784 N ASN B 50 6.511 -12.140 4.363 1.00 0.81 N ATOM 1785 CA ASN B 50 7.232 -12.694 5.505 1.00 0.84 C ATOM 1786 C ASN B 50 7.103 -11.789 6.730 1.00 0.80 C ATOM 1787 O ASN B 50 7.372 -12.212 7.855 1.00 0.97 O ATOM 1788 CB ASN B 50 8.709 -12.885 5.154 1.00 0.86 C ATOM 1789 CG ASN B 50 8.912 -13.826 3.981 1.00 0.94 C ATOM 1790 OD1 ASN B 50 8.135 -14.758 3.774 1.00 0.99 O ATOM 1791 ND2 ASN B 50 9.963 -13.586 3.204 1.00 0.97 N ATOM 0 H ASN B 50 7.100 -11.635 3.700 1.00 0.81 H new ATOM 0 HA ASN B 50 6.790 -13.661 5.745 1.00 0.84 H new ATOM 0 HB2 ASN B 50 9.151 -11.917 4.919 1.00 0.86 H new ATOM 0 HB3 ASN B 50 9.238 -13.275 6.024 1.00 0.86 H new ATOM 0 HD21 ASN B 50 10.151 -14.185 2.400 1.00 0.97 H new ATOM 0 HD22 ASN B 50 10.582 -12.802 3.411 1.00 0.97 H new ATOM 1798 N GLY B 51 6.692 -10.543 6.503 1.00 0.67 N ATOM 1799 CA GLY B 51 6.536 -9.599 7.596 1.00 0.65 C ATOM 1800 C GLY B 51 7.669 -8.595 7.664 1.00 0.60 C ATOM 1801 O GLY B 51 8.180 -8.296 8.744 1.00 0.67 O ATOM 0 H GLY B 51 6.464 -10.171 5.581 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.591 -9.068 7.481 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.482 -10.145 8.538 1.00 0.65 H new ATOM 1805 N LYS B 52 8.065 -8.077 6.505 1.00 0.57 N ATOM 1806 CA LYS B 52 9.148 -7.099 6.426 1.00 0.55 C ATOM 1807 C LYS B 52 8.715 -5.872 5.628 1.00 0.51 C ATOM 1808 O LYS B 52 7.751 -5.925 4.874 1.00 0.60 O ATOM 1809 CB LYS B 52 10.385 -7.723 5.773 1.00 0.59 C ATOM 1810 CG LYS B 52 11.039 -8.814 6.608 1.00 0.66 C ATOM 1811 CD LYS B 52 12.228 -9.434 5.888 1.00 0.79 C ATOM 1812 CE LYS B 52 13.377 -8.448 5.745 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.547 -9.056 5.053 1.00 1.05 N ATOM 0 H LYS B 52 7.651 -8.318 5.604 1.00 0.57 H new ATOM 0 HA LYS B 52 9.394 -6.789 7.442 1.00 0.55 H new ATOM 0 HB2 LYS B 52 10.102 -8.139 4.806 1.00 0.59 H new ATOM 0 HB3 LYS B 52 11.117 -6.939 5.581 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.367 -8.397 7.560 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.306 -9.588 6.835 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.568 -10.312 6.437 1.00 0.79 H new ATOM 0 HD3 LYS B 52 11.917 -9.776 4.901 1.00 0.79 H new ATOM 0 HE2 LYS B 52 13.039 -7.575 5.187 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.680 -8.098 6.732 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 15.309 -8.352 4.975 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.886 -9.874 5.598 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.265 -9.367 4.102 1.00 1.05 H new ATOM 1827 N GLU B 53 9.437 -4.773 5.806 1.00 0.53 N ATOM 1828 CA GLU B 53 9.149 -3.519 5.092 1.00 0.50 C ATOM 1829 C GLU B 53 10.454 -2.892 4.588 1.00 0.50 C ATOM 1830 O GLU B 53 11.438 -2.776 5.323 1.00 0.52 O ATOM 1831 CB GLU B 53 8.400 -2.553 6.019 1.00 0.51 C ATOM 1832 CG GLU B 53 9.269 -2.098 7.200 1.00 0.66 C ATOM 1833 CD GLU B 53 8.496 -1.327 8.255 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.561 -1.938 8.812 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.916 -0.183 8.531 1.00 0.71 O ATOM 0 H GLU B 53 10.233 -4.717 6.441 1.00 0.53 H new ATOM 0 HA GLU B 53 8.516 -3.730 4.230 1.00 0.50 H new ATOM 0 HB2 GLU B 53 8.077 -1.681 5.450 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.500 -3.038 6.397 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.727 -2.972 7.662 1.00 0.66 H new ATOM 0 HG3 GLU B 53 10.080 -1.473 6.825 1.00 0.66 H new ATOM 1842 N ILE B 54 10.448 -2.559 3.317 1.00 0.47 N ATOM 1843 CA ILE B 54 11.614 -1.906 2.688 1.00 0.47 C ATOM 1844 C ILE B 54 11.165 -0.629 1.963 1.00 0.45 C ATOM 1845 O ILE B 54 9.972 -0.322 1.877 1.00 0.43 O ATOM 1846 CB ILE B 54 12.364 -2.888 1.768 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.470 -3.352 0.604 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.949 -4.053 2.592 1.00 0.52 C ATOM 1849 CD1 ILE B 54 12.185 -4.194 -0.457 1.00 0.49 C ATOM 0 H ILE B 54 9.662 -2.721 2.687 1.00 0.47 H new ATOM 0 HA ILE B 54 12.326 -1.609 3.458 1.00 0.47 H new ATOM 0 HB ILE B 54 13.208 -2.374 1.308 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.641 -3.931 1.010 1.00 0.47 H new ATOM 0 HG13 ILE B 54 11.040 -2.474 0.122 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.476 -4.739 1.929 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.644 -3.661 3.335 1.00 0.52 H new ATOM 0 HG23 ILE B 54 12.141 -4.584 3.096 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.477 -4.475 -1.237 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.997 -3.614 -0.896 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.591 -5.094 0.005 1.00 0.49 H new ATOM 1861 N CYS B 55 12.144 0.037 1.370 1.00 0.45 N ATOM 1862 CA CYS B 55 11.910 1.252 0.582 1.00 0.44 C ATOM 1863 C CYS B 55 12.549 1.092 -0.792 1.00 0.45 C ATOM 1864 O CYS B 55 13.692 0.665 -0.925 1.00 0.48 O ATOM 1865 CB CYS B 55 12.539 2.456 1.274 1.00 0.44 C ATOM 1866 SG CYS B 55 11.701 2.927 2.827 1.00 0.44 S ATOM 0 H CYS B 55 13.124 -0.243 1.417 1.00 0.45 H new ATOM 0 HA CYS B 55 10.836 1.408 0.485 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.585 2.236 1.488 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.525 3.305 0.591 1.00 0.44 H new ATOM 1871 N LEU B 56 11.809 1.537 -1.780 1.00 0.44 N ATOM 1872 CA LEU B 56 12.248 1.437 -3.168 1.00 0.47 C ATOM 1873 C LEU B 56 12.479 2.849 -3.714 1.00 0.48 C ATOM 1874 O LEU B 56 11.844 3.817 -3.281 1.00 0.46 O ATOM 1875 CB LEU B 56 11.129 0.654 -3.868 1.00 0.46 C ATOM 1876 CG LEU B 56 10.819 -0.763 -3.365 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.842 -1.427 -4.335 1.00 0.47 C ATOM 1878 CD2 LEU B 56 12.071 -1.626 -3.205 1.00 0.49 C ATOM 0 H LEU B 56 10.896 1.975 -1.656 1.00 0.44 H new ATOM 0 HA LEU B 56 13.196 0.919 -3.317 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.214 1.242 -3.796 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.381 0.585 -4.926 1.00 0.46 H new ATOM 0 HG LEU B 56 10.377 -0.675 -2.372 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.614 -2.435 -3.988 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.923 -0.843 -4.383 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.292 -1.477 -5.327 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.787 -2.616 -2.847 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.574 -1.719 -4.167 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.745 -1.160 -2.487 1.00 0.49 H new ATOM 1890 N ASP B 57 13.386 2.986 -4.679 1.00 0.50 N ATOM 1891 CA ASP B 57 13.664 4.295 -5.283 1.00 0.52 C ATOM 1892 C ASP B 57 12.915 4.439 -6.609 1.00 0.54 C ATOM 1893 O ASP B 57 13.240 3.761 -7.583 1.00 0.59 O ATOM 1894 CB ASP B 57 15.164 4.480 -5.518 1.00 0.57 C ATOM 1895 CG ASP B 57 15.599 5.926 -5.362 1.00 0.58 C ATOM 1896 OD1 ASP B 57 15.057 6.793 -6.081 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.481 6.192 -4.520 1.00 0.63 O ATOM 0 H ASP B 57 13.938 2.217 -5.059 1.00 0.50 H new ATOM 0 HA ASP B 57 13.321 5.064 -4.591 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.719 3.858 -4.815 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.418 4.133 -6.520 1.00 0.57 H new ATOM 1902 N PRO B 58 11.912 5.345 -6.668 1.00 0.55 N ATOM 1903 CA PRO B 58 11.101 5.564 -7.879 1.00 0.61 C ATOM 1904 C PRO B 58 11.910 6.115 -9.052 1.00 0.69 C ATOM 1905 O PRO B 58 11.403 6.221 -10.171 1.00 0.83 O ATOM 1906 CB PRO B 58 10.048 6.590 -7.443 1.00 0.64 C ATOM 1907 CG PRO B 58 10.107 6.637 -5.953 1.00 0.60 C ATOM 1908 CD PRO B 58 11.500 6.234 -5.568 1.00 0.57 C ATOM 0 HA PRO B 58 10.682 4.625 -8.240 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.258 7.570 -7.872 1.00 0.64 H new ATOM 0 HB3 PRO B 58 9.055 6.298 -7.785 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.878 7.638 -5.587 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.373 5.961 -5.514 1.00 0.60 H new ATOM 0 HD2 PRO B 58 12.159 7.098 -5.481 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.519 5.720 -4.607 1.00 0.57 H new ATOM 1916 N GLU B 59 13.165 6.459 -8.790 1.00 0.65 N ATOM 1917 CA GLU B 59 14.046 6.995 -9.815 1.00 0.77 C ATOM 1918 C GLU B 59 14.593 5.881 -10.707 1.00 0.82 C ATOM 1919 O GLU B 59 15.172 6.153 -11.759 1.00 0.91 O ATOM 1920 CB GLU B 59 15.193 7.769 -9.154 1.00 0.83 C ATOM 1921 CG GLU B 59 16.042 8.578 -10.123 1.00 1.10 C ATOM 1922 CD GLU B 59 17.165 9.323 -9.426 1.00 1.18 C ATOM 1923 OE1 GLU B 59 18.255 8.734 -9.268 1.00 1.40 O ATOM 1924 OE2 GLU B 59 16.956 10.495 -9.038 1.00 1.28 O ATOM 0 H GLU B 59 13.596 6.375 -7.869 1.00 0.65 H new ATOM 0 HA GLU B 59 13.474 7.674 -10.447 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.777 8.442 -8.404 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.836 7.064 -8.627 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.464 7.912 -10.875 1.00 1.10 H new ATOM 0 HG3 GLU B 59 15.408 9.292 -10.649 1.00 1.10 H new ATOM 1931 N ALA B 60 14.404 4.618 -10.301 1.00 0.80 N ATOM 1932 CA ALA B 60 14.907 3.506 -11.108 1.00 0.88 C ATOM 1933 C ALA B 60 13.779 2.897 -11.964 1.00 0.91 C ATOM 1934 O ALA B 60 12.709 2.580 -11.439 1.00 0.89 O ATOM 1935 CB ALA B 60 15.520 2.478 -10.159 1.00 0.88 C ATOM 0 H ALA B 60 13.921 4.348 -9.444 1.00 0.80 H new ATOM 0 HA ALA B 60 15.669 3.854 -11.806 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.904 1.636 -10.734 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.335 2.939 -9.601 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.758 2.125 -9.464 1.00 0.88 H new ATOM 1941 N PRO B 61 14.066 2.633 -13.245 1.00 0.99 N ATOM 1942 CA PRO B 61 13.089 2.076 -14.203 1.00 1.03 C ATOM 1943 C PRO B 61 12.637 0.653 -13.851 1.00 1.03 C ATOM 1944 O PRO B 61 11.439 0.386 -13.782 1.00 1.01 O ATOM 1945 CB PRO B 61 13.802 2.127 -15.554 1.00 1.15 C ATOM 1946 CG PRO B 61 15.278 1.985 -15.185 1.00 1.19 C ATOM 1947 CD PRO B 61 15.389 2.786 -13.888 1.00 1.07 C ATOM 0 HA PRO B 61 12.163 2.651 -14.196 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.474 1.322 -16.212 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.607 3.064 -16.075 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.559 0.942 -15.040 1.00 1.19 H new ATOM 0 HG3 PRO B 61 15.928 2.385 -15.963 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.187 2.403 -13.252 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.615 3.834 -14.086 1.00 1.07 H new ATOM 1955 N PHE B 62 13.588 -0.186 -13.432 1.00 1.06 N ATOM 1956 CA PHE B 62 13.304 -1.570 -12.994 1.00 1.08 C ATOM 1957 C PHE B 62 12.360 -1.599 -11.787 1.00 0.98 C ATOM 1958 O PHE B 62 11.574 -2.527 -11.614 1.00 0.98 O ATOM 1959 CB PHE B 62 14.592 -2.329 -12.658 1.00 1.15 C ATOM 1960 CG PHE B 62 15.353 -1.735 -11.469 1.00 1.11 C ATOM 1961 CD1 PHE B 62 15.058 -2.151 -10.177 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.357 -0.802 -11.693 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.770 -1.638 -9.105 1.00 1.07 C ATOM 1964 CE2 PHE B 62 17.079 -0.300 -10.621 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.779 -0.710 -9.330 1.00 1.10 C ATOM 0 H PHE B 62 14.575 0.066 -13.384 1.00 1.06 H new ATOM 0 HA PHE B 62 12.813 -2.066 -13.831 1.00 1.08 H new ATOM 0 HB2 PHE B 62 14.347 -3.369 -12.441 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.243 -2.331 -13.532 1.00 1.15 H new ATOM 0 HD1 PHE B 62 14.274 -2.874 -10.008 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.574 -0.469 -12.697 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.542 -1.958 -8.099 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.875 0.410 -10.791 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.333 -0.306 -8.496 1.00 1.10 H new ATOM 1975 N LEU B 63 12.412 -0.537 -11.001 1.00 0.90 N ATOM 1976 CA LEU B 63 11.570 -0.404 -9.831 1.00 0.80 C ATOM 1977 C LEU B 63 10.120 -0.163 -10.241 1.00 0.83 C ATOM 1978 O LEU B 63 9.195 -0.642 -9.590 1.00 0.83 O ATOM 1979 CB LEU B 63 12.073 0.751 -8.983 1.00 0.71 C ATOM 1980 CG LEU B 63 11.794 0.632 -7.499 1.00 0.64 C ATOM 1981 CD1 LEU B 63 13.117 0.630 -6.743 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.878 1.765 -7.048 1.00 0.62 C ATOM 0 H LEU B 63 13.038 0.253 -11.158 1.00 0.90 H new ATOM 0 HA LEU B 63 11.612 -1.327 -9.252 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.149 0.845 -9.128 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.621 1.673 -9.349 1.00 0.71 H new ATOM 0 HG LEU B 63 11.278 -0.304 -7.285 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.925 0.545 -5.673 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.722 -0.215 -7.071 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.651 1.559 -6.943 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.683 1.672 -5.980 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.359 2.723 -7.247 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.937 1.712 -7.595 1.00 0.62 H new ATOM 1994 N LYS B 64 9.940 0.575 -11.336 1.00 0.87 N ATOM 1995 CA LYS B 64 8.611 0.889 -11.865 1.00 0.93 C ATOM 1996 C LYS B 64 7.936 -0.364 -12.433 1.00 0.97 C ATOM 1997 O LYS B 64 6.716 -0.440 -12.514 1.00 1.03 O ATOM 1998 CB LYS B 64 8.727 1.965 -12.948 1.00 1.02 C ATOM 1999 CG LYS B 64 7.391 2.536 -13.399 1.00 1.12 C ATOM 2000 CD LYS B 64 7.560 3.511 -14.556 1.00 1.30 C ATOM 2001 CE LYS B 64 7.979 2.801 -15.834 1.00 1.47 C ATOM 2002 NZ LYS B 64 8.076 3.740 -16.985 1.00 1.71 N ATOM 0 H LYS B 64 10.707 0.971 -11.880 1.00 0.87 H new ATOM 0 HA LYS B 64 7.993 1.264 -11.049 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.350 2.777 -12.573 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.240 1.543 -13.812 1.00 1.02 H new ATOM 0 HG2 LYS B 64 6.731 1.723 -13.701 1.00 1.12 H new ATOM 0 HG3 LYS B 64 6.910 3.043 -12.562 1.00 1.12 H new ATOM 0 HD2 LYS B 64 6.623 4.041 -14.725 1.00 1.30 H new ATOM 0 HD3 LYS B 64 8.307 4.260 -14.294 1.00 1.30 H new ATOM 0 HE2 LYS B 64 8.942 2.315 -15.680 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.259 2.016 -16.066 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 8.364 3.217 -17.836 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 7.151 4.185 -17.149 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 8.781 4.475 -16.775 1.00 1.71 H new ATOM 2016 N LYS B 65 8.756 -1.332 -12.821 1.00 0.98 N ATOM 2017 CA LYS B 65 8.295 -2.615 -13.381 1.00 1.04 C ATOM 2018 C LYS B 65 7.690 -3.546 -12.327 1.00 1.02 C ATOM 2019 O LYS B 65 6.506 -3.873 -12.392 1.00 1.07 O ATOM 2020 CB LYS B 65 9.463 -3.318 -14.065 1.00 1.07 C ATOM 2021 CG LYS B 65 9.961 -2.527 -15.273 1.00 1.14 C ATOM 2022 CD LYS B 65 11.054 -3.298 -16.019 1.00 1.20 C ATOM 2023 CE LYS B 65 10.537 -4.597 -16.651 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.509 -4.335 -17.669 1.00 1.36 N ATOM 0 H LYS B 65 9.771 -1.257 -12.759 1.00 0.98 H new ATOM 0 HA LYS B 65 7.506 -2.386 -14.097 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.278 -3.449 -13.353 1.00 1.07 H new ATOM 0 HB3 LYS B 65 9.154 -4.314 -14.383 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.129 -2.324 -15.947 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.349 -1.562 -14.946 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.474 -2.662 -16.798 1.00 1.20 H new ATOM 0 HD3 LYS B 65 11.864 -3.532 -15.328 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.368 -5.137 -17.104 1.00 1.27 H new ATOM 0 HE3 LYS B 65 10.124 -5.240 -15.874 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.318 -5.207 -18.202 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.635 -4.014 -17.205 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 9.846 -3.598 -18.321 1.00 1.36 H new ATOM 2038 N VAL B 66 8.463 -3.830 -11.280 1.00 0.96 N ATOM 2039 CA VAL B 66 7.989 -4.673 -10.188 1.00 0.95 C ATOM 2040 C VAL B 66 6.783 -4.036 -9.476 1.00 0.95 C ATOM 2041 O VAL B 66 5.930 -4.748 -8.955 1.00 0.97 O ATOM 2042 CB VAL B 66 9.107 -4.974 -9.164 1.00 0.92 C ATOM 2043 CG1 VAL B 66 10.306 -5.587 -9.863 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.514 -3.726 -8.393 1.00 0.91 C ATOM 0 H VAL B 66 9.418 -3.489 -11.166 1.00 0.96 H new ATOM 0 HA VAL B 66 7.676 -5.617 -10.634 1.00 0.95 H new ATOM 0 HB VAL B 66 8.715 -5.690 -8.441 1.00 0.92 H new ATOM 0 HG11 VAL B 66 11.087 -5.795 -9.131 1.00 0.93 H new ATOM 0 HG12 VAL B 66 10.008 -6.516 -10.349 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.686 -4.891 -10.611 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.302 -3.978 -7.683 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.880 -2.972 -9.089 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.652 -3.334 -7.854 1.00 0.91 H new ATOM 2054 N ILE B 67 6.706 -2.694 -9.462 1.00 0.95 N ATOM 2055 CA ILE B 67 5.573 -2.011 -8.828 1.00 0.97 C ATOM 2056 C ILE B 67 4.409 -1.901 -9.807 1.00 1.02 C ATOM 2057 O ILE B 67 3.266 -1.687 -9.405 1.00 1.08 O ATOM 2058 CB ILE B 67 5.911 -0.607 -8.261 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.258 0.380 -9.382 1.00 1.00 C ATOM 2060 CG2 ILE B 67 7.039 -0.697 -7.243 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.520 1.788 -8.889 1.00 1.07 C ATOM 0 H ILE B 67 7.402 -2.073 -9.875 1.00 0.95 H new ATOM 0 HA ILE B 67 5.299 -2.628 -7.973 1.00 0.97 H new ATOM 0 HB ILE B 67 5.024 -0.228 -7.755 1.00 0.99 H new ATOM 0 HG12 ILE B 67 7.139 0.020 -9.912 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.440 0.402 -10.102 1.00 1.00 H new ATOM 0 HG21 ILE B 67 7.261 0.298 -6.857 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.736 -1.346 -6.421 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.928 -1.108 -7.721 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.759 2.431 -9.736 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.632 2.168 -8.384 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.358 1.779 -8.192 1.00 1.07 H new ATOM 2073 N GLN B 68 4.704 -2.011 -11.101 1.00 1.04 N ATOM 2074 CA GLN B 68 3.644 -1.998 -12.122 1.00 1.12 C ATOM 2075 C GLN B 68 2.907 -3.347 -12.151 1.00 1.11 C ATOM 2076 O GLN B 68 1.680 -3.387 -12.164 1.00 1.15 O ATOM 2077 CB GLN B 68 4.252 -1.708 -13.488 1.00 1.19 C ATOM 2078 CG GLN B 68 3.162 -1.497 -14.529 1.00 1.30 C ATOM 2079 CD GLN B 68 3.779 -1.179 -15.886 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.608 -1.887 -16.433 1.00 1.39 O ATOM 2081 NE2 GLN B 68 3.318 -0.087 -16.450 1.00 1.52 N ATOM 0 H GLN B 68 5.650 -2.109 -11.469 1.00 1.04 H new ATOM 0 HA GLN B 68 2.926 -1.217 -11.873 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.883 -0.821 -13.430 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.894 -2.536 -13.789 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.544 -2.391 -14.604 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.508 -0.682 -14.220 1.00 1.30 H new ATOM 0 HE21 GLN B 68 2.625 0.483 -15.966 1.00 1.52 H new ATOM 0 HE22 GLN B 68 3.653 0.191 -17.372 1.00 1.52 H new ATOM 2090 N LYS B 69 3.675 -4.425 -12.008 1.00 1.10 N ATOM 2091 CA LYS B 69 3.126 -5.778 -11.996 1.00 1.13 C ATOM 2092 C LYS B 69 2.218 -6.034 -10.784 1.00 1.15 C ATOM 2093 O LYS B 69 1.335 -6.887 -10.849 1.00 1.23 O ATOM 2094 CB LYS B 69 4.258 -6.802 -12.006 1.00 1.11 C ATOM 2095 CG LYS B 69 5.047 -6.818 -13.302 1.00 1.16 C ATOM 2096 CD LYS B 69 6.000 -7.999 -13.346 1.00 1.24 C ATOM 2097 CE LYS B 69 6.717 -8.093 -14.680 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.537 -9.331 -14.773 1.00 1.61 N ATOM 0 H LYS B 69 4.688 -4.386 -11.898 1.00 1.10 H new ATOM 0 HA LYS B 69 2.516 -5.881 -12.893 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.936 -6.590 -11.179 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.842 -7.794 -11.831 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.362 -6.868 -14.148 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.609 -5.889 -13.401 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.733 -7.905 -12.545 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.446 -8.920 -13.165 1.00 1.24 H new ATOM 0 HE2 LYS B 69 5.986 -8.078 -15.489 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.357 -7.221 -14.812 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 8.013 -9.363 -15.697 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.250 -9.333 -14.016 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 6.922 -10.163 -14.671 1.00 1.61 H new ATOM 2112 N ILE B 70 2.436 -5.332 -9.668 1.00 1.14 N ATOM 2113 CA ILE B 70 1.593 -5.543 -8.482 1.00 1.20 C ATOM 2114 C ILE B 70 0.258 -4.814 -8.611 1.00 1.31 C ATOM 2115 O ILE B 70 -0.608 -4.922 -7.742 1.00 1.43 O ATOM 2116 CB ILE B 70 2.283 -5.117 -7.166 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.672 -3.639 -7.204 1.00 1.17 C ATOM 2118 CG2 ILE B 70 3.498 -5.991 -6.892 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.396 -3.164 -5.962 1.00 1.30 C ATOM 0 H ILE B 70 3.168 -4.630 -9.558 1.00 1.14 H new ATOM 0 HA ILE B 70 1.419 -6.618 -8.434 1.00 1.20 H new ATOM 0 HB ILE B 70 1.573 -5.254 -6.351 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.306 -3.462 -8.073 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.772 -3.040 -7.340 1.00 1.17 H new ATOM 0 HG21 ILE B 70 3.970 -5.676 -5.962 1.00 1.29 H new ATOM 0 HG22 ILE B 70 3.186 -7.032 -6.806 1.00 1.29 H new ATOM 0 HG23 ILE B 70 4.210 -5.892 -7.712 1.00 1.29 H new ATOM 0 HD11 ILE B 70 3.639 -2.106 -6.064 1.00 1.30 H new ATOM 0 HD12 ILE B 70 2.757 -3.307 -5.091 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.315 -3.736 -5.835 1.00 1.30 H new ATOM 2131 N LEU B 71 0.100 -4.075 -9.704 1.00 1.33 N ATOM 2132 CA LEU B 71 -1.131 -3.341 -9.966 1.00 1.48 C ATOM 2133 C LEU B 71 -1.992 -4.098 -10.972 1.00 1.57 C ATOM 2134 O LEU B 71 -3.221 -4.042 -10.917 1.00 1.69 O ATOM 2135 CB LEU B 71 -0.819 -1.939 -10.497 1.00 1.53 C ATOM 2136 CG LEU B 71 0.148 -1.117 -9.642 1.00 1.62 C ATOM 2137 CD1 LEU B 71 0.533 0.167 -10.362 1.00 1.79 C ATOM 2138 CD2 LEU B 71 -0.466 -0.808 -8.283 1.00 1.64 C ATOM 0 H LEU B 71 0.813 -3.969 -10.425 1.00 1.33 H new ATOM 0 HA LEU B 71 -1.680 -3.245 -9.029 1.00 1.48 H new ATOM 0 HB2 LEU B 71 -0.402 -2.032 -11.500 1.00 1.53 H new ATOM 0 HB3 LEU B 71 -1.754 -1.387 -10.591 1.00 1.53 H new ATOM 0 HG LEU B 71 1.051 -1.706 -9.481 1.00 1.62 H new ATOM 0 HD11 LEU B 71 1.221 0.740 -9.741 1.00 1.79 H new ATOM 0 HD12 LEU B 71 1.016 -0.077 -11.308 1.00 1.79 H new ATOM 0 HD13 LEU B 71 -0.362 0.759 -10.554 1.00 1.79 H new ATOM 0 HD21 LEU B 71 0.237 -0.223 -7.690 1.00 1.64 H new ATOM 0 HD22 LEU B 71 -1.386 -0.239 -8.420 1.00 1.64 H new ATOM 0 HD23 LEU B 71 -0.690 -1.740 -7.764 1.00 1.64 H new ATOM 2150 N ASP B 72 -1.333 -4.810 -11.889 1.00 1.58 N ATOM 2151 CA ASP B 72 -2.034 -5.584 -12.905 1.00 1.72 C ATOM 2152 C ASP B 72 -2.514 -6.909 -12.325 1.00 1.72 C ATOM 2153 O ASP B 72 -3.636 -7.339 -12.584 1.00 1.79 O ATOM 2154 CB ASP B 72 -1.118 -5.834 -14.105 1.00 1.80 C ATOM 2155 CG ASP B 72 -1.785 -6.668 -15.179 1.00 2.04 C ATOM 2156 OD1 ASP B 72 -2.631 -6.118 -15.916 1.00 2.25 O ATOM 2157 OD2 ASP B 72 -1.468 -7.873 -15.283 1.00 2.11 O ATOM 0 H ASP B 72 -0.316 -4.864 -11.945 1.00 1.58 H new ATOM 0 HA ASP B 72 -2.902 -5.015 -13.238 1.00 1.72 H new ATOM 0 HB2 ASP B 72 -0.812 -4.878 -14.530 1.00 1.80 H new ATOM 0 HB3 ASP B 72 -0.212 -6.338 -13.768 1.00 1.80 H new ATOM 2162 N GLY B 73 -1.657 -7.547 -11.529 1.00 1.66 N ATOM 2163 CA GLY B 73 -2.009 -8.819 -10.924 1.00 1.69 C ATOM 2164 C GLY B 73 -2.878 -8.662 -9.690 1.00 1.70 C ATOM 2165 O GLY B 73 -3.495 -9.626 -9.233 1.00 1.76 O ATOM 0 H GLY B 73 -0.726 -7.204 -11.293 1.00 1.66 H new ATOM 0 HA2 GLY B 73 -2.534 -9.432 -11.657 1.00 1.69 H new ATOM 0 HA3 GLY B 73 -1.098 -9.353 -10.656 1.00 1.69 H new ATOM 2169 N GLY B 74 -2.934 -7.444 -9.154 1.00 1.68 N ATOM 2170 CA GLY B 74 -3.734 -7.183 -7.969 1.00 1.74 C ATOM 2171 C GLY B 74 -5.179 -6.834 -8.287 1.00 1.83 C ATOM 2172 O GLY B 74 -5.977 -6.597 -7.382 1.00 2.04 O ATOM 0 H GLY B 74 -2.438 -6.632 -9.521 1.00 1.68 H new ATOM 0 HA2 GLY B 74 -3.713 -8.061 -7.323 1.00 1.74 H new ATOM 0 HA3 GLY B 74 -3.284 -6.364 -7.408 1.00 1.74 H new ATOM 2176 N ASN B 75 -5.512 -6.799 -9.574 1.00 1.81 N ATOM 2177 CA ASN B 75 -6.869 -6.478 -10.004 1.00 1.91 C ATOM 2178 C ASN B 75 -7.398 -7.546 -10.963 1.00 1.93 C ATOM 2179 O ASN B 75 -8.533 -7.470 -11.433 1.00 2.00 O ATOM 2180 CB ASN B 75 -6.895 -5.103 -10.681 1.00 1.98 C ATOM 2181 CG ASN B 75 -8.279 -4.481 -10.696 1.00 2.16 C ATOM 2182 OD1 ASN B 75 -9.067 -4.664 -9.766 1.00 2.32 O ATOM 2183 ND2 ASN B 75 -8.585 -3.743 -11.755 1.00 2.27 N ATOM 0 H ASN B 75 -4.862 -6.989 -10.336 1.00 1.81 H new ATOM 0 HA ASN B 75 -7.513 -6.454 -9.125 1.00 1.91 H new ATOM 0 HB2 ASN B 75 -6.207 -4.435 -10.163 1.00 1.98 H new ATOM 0 HB3 ASN B 75 -6.534 -5.200 -11.705 1.00 1.98 H new ATOM 0 HD21 ASN B 75 -9.502 -3.302 -11.821 1.00 2.27 H new ATOM 0 HD22 ASN B 75 -7.903 -3.617 -12.503 1.00 2.27 H new ATOM 2190 N LYS B 76 -6.563 -8.547 -11.242 1.00 1.93 N ATOM 2191 CA LYS B 76 -6.939 -9.632 -12.143 1.00 1.99 C ATOM 2192 C LYS B 76 -7.809 -10.666 -11.427 1.00 1.96 C ATOM 2193 O LYS B 76 -8.624 -11.343 -12.056 1.00 2.06 O ATOM 2194 CB LYS B 76 -5.686 -10.301 -12.719 1.00 2.03 C ATOM 2195 CG LYS B 76 -5.975 -11.312 -13.821 1.00 2.17 C ATOM 2196 CD LYS B 76 -6.539 -10.644 -15.069 1.00 2.29 C ATOM 2197 CE LYS B 76 -6.972 -11.671 -16.106 1.00 2.46 C ATOM 2198 NZ LYS B 76 -8.114 -12.497 -15.628 1.00 2.45 N ATOM 0 H LYS B 76 -5.622 -8.627 -10.856 1.00 1.93 H new ATOM 0 HA LYS B 76 -7.522 -9.207 -12.960 1.00 1.99 H new ATOM 0 HB2 LYS B 76 -5.023 -9.530 -13.112 1.00 2.03 H new ATOM 0 HB3 LYS B 76 -5.150 -10.801 -11.912 1.00 2.03 H new ATOM 0 HG2 LYS B 76 -5.058 -11.843 -14.076 1.00 2.17 H new ATOM 0 HG3 LYS B 76 -6.683 -12.056 -13.455 1.00 2.17 H new ATOM 0 HD2 LYS B 76 -7.390 -10.021 -14.796 1.00 2.29 H new ATOM 0 HD3 LYS B 76 -5.787 -9.984 -15.501 1.00 2.29 H new ATOM 0 HE2 LYS B 76 -7.254 -11.160 -17.027 1.00 2.46 H new ATOM 0 HE3 LYS B 76 -6.130 -12.320 -16.347 1.00 2.46 H new ATOM 0 HZ1 LYS B 76 -8.551 -12.985 -16.435 1.00 2.45 H new ATOM 0 HZ2 LYS B 76 -7.771 -13.200 -14.943 1.00 2.45 H new ATOM 0 HZ3 LYS B 76 -8.819 -11.884 -15.171 1.00 2.45 H new ATOM 2212 N GLU B 77 -7.639 -10.777 -10.110 1.00 1.88 N ATOM 2213 CA GLU B 77 -8.414 -11.729 -9.315 1.00 1.89 C ATOM 2214 C GLU B 77 -9.858 -11.265 -9.170 1.00 1.97 C ATOM 2215 O GLU B 77 -10.124 -10.153 -8.706 1.00 1.98 O ATOM 2216 CB GLU B 77 -7.787 -11.923 -7.930 1.00 1.86 C ATOM 2217 CG GLU B 77 -6.788 -13.070 -7.869 1.00 1.94 C ATOM 2218 CD GLU B 77 -7.446 -14.428 -8.030 1.00 2.35 C ATOM 2219 OE1 GLU B 77 -7.880 -15.003 -7.009 1.00 2.65 O ATOM 2220 OE2 GLU B 77 -7.528 -14.917 -9.177 1.00 2.78 O ATOM 0 H GLU B 77 -6.974 -10.221 -9.572 1.00 1.88 H new ATOM 0 HA GLU B 77 -8.404 -12.684 -9.840 1.00 1.89 H new ATOM 0 HB2 GLU B 77 -7.287 -11.001 -7.634 1.00 1.86 H new ATOM 0 HB3 GLU B 77 -8.579 -12.103 -7.204 1.00 1.86 H new ATOM 0 HG2 GLU B 77 -6.041 -12.938 -8.651 1.00 1.94 H new ATOM 0 HG3 GLU B 77 -6.261 -13.037 -6.916 1.00 1.94 H new ATOM 2227 N ASN B 78 -10.787 -12.121 -9.578 1.00 2.10 N ATOM 2228 CA ASN B 78 -12.207 -11.803 -9.497 1.00 2.25 C ATOM 2229 C ASN B 78 -12.872 -12.590 -8.372 1.00 2.37 C ATOM 2230 O ASN B 78 -13.211 -13.772 -8.596 1.00 2.48 O ATOM 2231 CB ASN B 78 -12.899 -12.102 -10.831 1.00 2.40 C ATOM 2232 CG ASN B 78 -12.360 -11.262 -11.977 1.00 2.36 C ATOM 2233 OD1 ASN B 78 -12.296 -11.719 -13.118 1.00 2.45 O ATOM 2234 ND2 ASN B 78 -11.971 -10.025 -11.681 1.00 2.29 N ATOM 2235 OXT ASN B 78 -13.047 -12.018 -7.276 1.00 2.38 O ATOM 0 H ASN B 78 -10.582 -13.041 -9.968 1.00 2.10 H new ATOM 0 HA ASN B 78 -12.306 -10.739 -9.281 1.00 2.25 H new ATOM 0 HB2 ASN B 78 -12.774 -13.158 -11.071 1.00 2.40 H new ATOM 0 HB3 ASN B 78 -13.969 -11.923 -10.728 1.00 2.40 H new ATOM 0 HD21 ASN B 78 -11.603 -9.417 -12.413 1.00 2.29 H new ATOM 0 HD22 ASN B 78 -12.041 -9.684 -10.722 1.00 2.29 H new TER 2242 ASN B 78