USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1046 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= -0.53 K(o=-0.53,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot 43:sc= -1.98! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.29 USER MOD Single : A 20 GLN : amide:sc= -1.09 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 -157:sc= 0 (180deg=-0.0801) USER MOD Single : A 28 SER OG : rot -160:sc= -0.0224 USER MOD Single : A 29 ASN : amide:sc=-0.00578 X(o=-0.0058,f=-0.5) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.95 K(o=-0.95,f=-0.058) USER MOD Single : A 40 SER OG : rot -55:sc= 0.204 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= 0.081 (180deg=0.0585) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -0.0378 (180deg=-0.327) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.57) 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+ 168:sc= 0 (180deg=-0.157) USER MOD Single : A 68 GLN : amide:sc=-0.00402 X(o=-0.004,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -0.458 K(o=-0.46,f=-4.3!) USER MOD Single : B 18 THR OG1 : rot 56:sc= -2.33! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.295 USER MOD Single : B 20 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.8!) USER MOD Single : B 23 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot -130:sc= -0.538 USER MOD Single : B 29 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.037) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : B 40 SER OG : rot -46:sc= 0.295 USER MOD Single : B 41 LYS NZ :NH3+ 161:sc= 0.0764 (180deg=0.0328) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 167:sc=-0.00872 (180deg=-0.208) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.57) 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=-0.00975 (180deg=-0.126) USER MOD Single : B 68 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -6.298 -18.406 15.314 1.00 0.81 N ATOM 2 CA LEU A 8 -6.885 -18.907 14.050 1.00 0.78 C ATOM 3 C LEU A 8 -8.327 -19.405 14.295 1.00 0.78 C ATOM 4 O LEU A 8 -8.585 -20.561 14.618 1.00 0.80 O ATOM 5 CB LEU A 8 -5.977 -20.006 13.471 1.00 0.80 C ATOM 6 CG LEU A 8 -6.360 -20.521 12.069 1.00 0.78 C ATOM 7 CD1 LEU A 8 -5.121 -21.125 11.408 1.00 0.80 C ATOM 8 CD2 LEU A 8 -7.418 -21.629 12.092 1.00 0.78 C ATOM 0 HA LEU A 8 -6.946 -18.102 13.317 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -4.957 -19.625 13.432 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -5.975 -20.851 14.160 1.00 0.80 H new ATOM 0 HG LEU A 8 -6.763 -19.663 11.531 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -5.381 -21.493 10.415 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -4.347 -20.363 11.322 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -4.751 -21.951 12.015 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -7.639 -21.943 11.072 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -7.042 -22.480 12.660 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -8.328 -21.254 12.561 1.00 0.78 H new ATOM 20 N ARG A 9 -9.215 -18.427 14.363 1.00 0.76 N ATOM 21 CA ARG A 9 -10.646 -18.698 14.595 1.00 0.76 C ATOM 22 C ARG A 9 -11.526 -17.942 13.600 1.00 0.72 C ATOM 23 O ARG A 9 -12.180 -18.547 12.755 1.00 0.71 O ATOM 24 CB ARG A 9 -11.043 -18.453 16.063 1.00 0.79 C ATOM 25 CG ARG A 9 -10.764 -17.035 16.563 1.00 0.78 C ATOM 26 CD ARG A 9 -11.368 -16.792 17.943 1.00 0.82 C ATOM 27 NE ARG A 9 -11.146 -15.385 18.333 1.00 0.81 N ATOM 28 CZ ARG A 9 -10.002 -14.840 18.752 1.00 0.83 C ATOM 29 NH1 ARG A 9 -8.886 -15.554 18.857 1.00 0.84 N ATOM 30 NH2 ARG A 9 -9.972 -13.567 19.118 1.00 0.83 N ATOM 0 H ARG A 9 -8.983 -17.439 14.263 1.00 0.76 H new ATOM 0 HA ARG A 9 -10.819 -19.758 14.412 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -12.106 -18.664 16.180 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -10.506 -19.161 16.695 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -9.687 -16.869 16.603 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -11.172 -16.313 15.855 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -12.435 -17.013 17.929 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -10.913 -17.460 18.674 1.00 0.82 H new ATOM 0 HE ARG A 9 -11.953 -14.764 18.276 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -8.890 -16.545 18.614 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -8.026 -15.111 19.180 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -10.822 -13.005 19.079 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -9.099 -13.149 19.438 1.00 0.83 H new ATOM 44 N GLU A 10 -11.488 -16.610 13.693 1.00 0.70 N ATOM 45 CA GLU A 10 -12.356 -15.711 12.923 1.00 0.67 C ATOM 46 C GLU A 10 -11.670 -14.359 12.716 1.00 0.65 C ATOM 47 O GLU A 10 -11.292 -13.683 13.674 1.00 0.67 O ATOM 48 CB GLU A 10 -13.671 -15.480 13.675 1.00 0.69 C ATOM 49 CG GLU A 10 -14.511 -16.755 13.803 1.00 0.71 C ATOM 50 CD GLU A 10 -15.857 -16.534 14.495 1.00 0.73 C ATOM 51 OE1 GLU A 10 -16.377 -15.399 14.403 1.00 0.72 O ATOM 52 OE2 GLU A 10 -16.349 -17.517 15.086 1.00 0.76 O ATOM 0 H GLU A 10 -10.845 -16.118 14.313 1.00 0.70 H new ATOM 0 HA GLU A 10 -12.555 -16.174 11.957 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -13.452 -15.092 14.670 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -14.252 -14.717 13.156 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -14.686 -17.166 12.809 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -13.943 -17.500 14.360 1.00 0.71 H new ATOM 59 N LEU A 11 -11.396 -14.088 11.452 1.00 0.62 N ATOM 60 CA LEU A 11 -10.760 -12.831 11.026 1.00 0.60 C ATOM 61 C LEU A 11 -11.601 -12.151 9.947 1.00 0.57 C ATOM 62 O LEU A 11 -12.139 -12.807 9.052 1.00 0.56 O ATOM 63 CB LEU A 11 -9.357 -13.125 10.495 1.00 0.60 C ATOM 64 CG LEU A 11 -8.454 -13.696 11.587 1.00 0.63 C ATOM 65 CD1 LEU A 11 -7.857 -15.027 11.129 1.00 0.65 C ATOM 66 CD2 LEU A 11 -7.360 -12.693 11.949 1.00 0.64 C ATOM 0 H LEU A 11 -11.604 -14.726 10.684 1.00 0.62 H new ATOM 0 HA LEU A 11 -10.687 -12.158 11.881 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -9.421 -13.832 9.667 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -8.917 -12.210 10.099 1.00 0.60 H new ATOM 0 HG LEU A 11 -9.048 -13.880 12.482 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -7.215 -15.427 11.914 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -8.660 -15.734 10.922 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -7.270 -14.870 10.224 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -6.724 -13.113 12.728 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -6.758 -12.477 11.067 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -7.816 -11.772 12.311 1.00 0.64 H new ATOM 78 N ARG A 12 -11.674 -10.839 10.067 1.00 0.56 N ATOM 79 CA ARG A 12 -12.504 -10.002 9.180 1.00 0.54 C ATOM 80 C ARG A 12 -11.581 -9.260 8.219 1.00 0.51 C ATOM 81 O ARG A 12 -10.465 -8.884 8.584 1.00 0.51 O ATOM 82 CB ARG A 12 -13.294 -8.982 10.020 1.00 0.55 C ATOM 83 CG ARG A 12 -13.954 -9.550 11.284 1.00 0.59 C ATOM 84 CD ARG A 12 -14.775 -10.800 10.967 1.00 0.59 C ATOM 85 NE ARG A 12 -15.516 -11.270 12.137 1.00 0.63 N ATOM 86 CZ ARG A 12 -16.833 -11.135 12.212 1.00 0.65 C ATOM 87 NH1 ARG A 12 -17.372 -9.984 12.590 1.00 0.66 N ATOM 88 NH2 ARG A 12 -17.606 -12.186 12.002 1.00 0.66 N ATOM 0 H ARG A 12 -11.166 -10.311 10.777 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.206 -10.626 8.626 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -12.621 -8.176 10.312 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.068 -8.540 9.392 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.187 -9.793 12.020 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -14.598 -8.793 11.732 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -15.472 -10.582 10.158 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.113 -11.591 10.613 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.012 -11.709 12.908 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -16.772 -9.193 12.826 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -18.386 -9.889 12.645 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -17.188 -13.091 11.784 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -18.620 -12.092 12.057 1.00 0.66 H new ATOM 102 N CYS A 13 -12.064 -9.042 6.999 1.00 0.49 N ATOM 103 CA CYS A 13 -11.345 -8.208 6.020 1.00 0.47 C ATOM 104 C CYS A 13 -11.057 -6.822 6.625 1.00 0.47 C ATOM 105 O CYS A 13 -11.798 -6.345 7.486 1.00 0.48 O ATOM 106 CB CYS A 13 -12.201 -8.048 4.764 1.00 0.47 C ATOM 107 SG CYS A 13 -12.234 -9.522 3.678 1.00 0.48 S ATOM 0 H CYS A 13 -12.946 -9.426 6.659 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.402 -8.689 5.762 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.222 -7.809 5.063 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -11.829 -7.198 4.192 1.00 0.47 H new ATOM 112 N VAL A 14 -9.970 -6.204 6.170 1.00 0.45 N ATOM 113 CA VAL A 14 -9.601 -4.841 6.632 1.00 0.45 C ATOM 114 C VAL A 14 -10.708 -3.814 6.308 1.00 0.44 C ATOM 115 O VAL A 14 -10.901 -2.831 7.017 1.00 0.45 O ATOM 116 CB VAL A 14 -8.200 -4.427 6.111 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.087 -4.264 4.593 1.00 0.43 C ATOM 118 CG2 VAL A 14 -7.703 -3.144 6.780 1.00 0.45 C ATOM 0 H VAL A 14 -9.327 -6.608 5.489 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.522 -4.859 7.719 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.570 -5.274 6.384 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.069 -3.974 4.333 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.330 -5.209 4.107 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -8.781 -3.494 4.257 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -6.719 -2.887 6.388 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.400 -2.332 6.572 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -7.636 -3.298 7.857 1.00 0.45 H new ATOM 128 N CYS A 15 -11.406 -4.082 5.208 1.00 0.44 N ATOM 129 CA CYS A 15 -12.520 -3.265 4.705 1.00 0.44 C ATOM 130 C CYS A 15 -13.816 -4.070 4.656 1.00 0.46 C ATOM 131 O CYS A 15 -13.972 -4.967 3.827 1.00 0.46 O ATOM 132 CB CYS A 15 -12.216 -2.788 3.289 1.00 0.43 C ATOM 133 SG CYS A 15 -10.963 -1.474 3.246 1.00 0.42 S ATOM 0 H CYS A 15 -11.212 -4.894 4.622 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.639 -2.420 5.384 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -11.872 -3.632 2.692 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.134 -2.424 2.828 1.00 0.43 H new ATOM 138 N LEU A 16 -14.678 -3.789 5.623 1.00 0.48 N ATOM 139 CA LEU A 16 -16.023 -4.398 5.661 1.00 0.51 C ATOM 140 C LEU A 16 -17.049 -3.687 4.765 1.00 0.53 C ATOM 141 O LEU A 16 -17.928 -4.324 4.177 1.00 0.55 O ATOM 142 CB LEU A 16 -16.531 -4.493 7.103 1.00 0.54 C ATOM 143 CG LEU A 16 -15.694 -5.453 7.964 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.214 -5.438 9.401 1.00 0.57 C ATOM 145 CD2 LEU A 16 -15.720 -6.888 7.417 1.00 0.53 C ATOM 0 H LEU A 16 -14.483 -3.149 6.393 1.00 0.48 H new ATOM 0 HA LEU A 16 -15.914 -5.402 5.250 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.518 -3.501 7.555 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.569 -4.827 7.097 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.660 -5.109 7.936 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -15.620 -6.119 10.010 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.137 -4.429 9.805 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.257 -5.756 9.414 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.116 -7.532 8.056 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -16.747 -7.253 7.401 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.316 -6.899 6.405 1.00 0.53 H new ATOM 157 N GLN A 17 -16.899 -2.385 4.649 1.00 0.53 N ATOM 158 CA GLN A 17 -17.774 -1.507 3.863 1.00 0.55 C ATOM 159 C GLN A 17 -17.012 -0.955 2.645 1.00 0.53 C ATOM 160 O GLN A 17 -15.831 -1.231 2.437 1.00 0.50 O ATOM 161 CB GLN A 17 -18.330 -0.372 4.747 1.00 0.57 C ATOM 162 CG GLN A 17 -17.311 0.689 5.202 1.00 0.56 C ATOM 163 CD GLN A 17 -16.281 0.207 6.234 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.284 -0.879 6.788 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.344 1.067 6.544 1.00 0.53 N ATOM 0 H GLN A 17 -16.142 -1.880 5.111 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.623 -2.083 3.495 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.128 0.130 4.200 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -18.782 -0.817 5.633 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.778 1.057 4.325 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -17.855 1.535 5.623 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.322 1.982 6.093 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.636 0.822 7.236 1.00 0.53 H new ATOM 174 N THR A 18 -17.725 -0.131 1.899 1.00 0.56 N ATOM 175 CA THR A 18 -17.194 0.539 0.699 1.00 0.55 C ATOM 176 C THR A 18 -17.449 2.055 0.746 1.00 0.57 C ATOM 177 O THR A 18 -17.974 2.591 1.725 1.00 0.58 O ATOM 178 CB THR A 18 -17.806 -0.147 -0.534 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.187 0.388 -1.702 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.333 -0.008 -0.631 1.00 0.62 C ATOM 0 H THR A 18 -18.697 0.102 2.100 1.00 0.56 H new ATOM 0 HA THR A 18 -16.110 0.439 0.648 1.00 0.55 H new ATOM 0 HB THR A 18 -17.616 -1.216 -0.440 1.00 0.57 H new ATOM 0 HG1 THR A 18 -16.222 0.467 -1.554 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.689 -0.518 -1.526 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.796 -0.455 0.249 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.600 1.048 -0.684 1.00 0.62 H new ATOM 188 N THR A 19 -17.161 2.721 -0.367 1.00 0.57 N ATOM 189 CA THR A 19 -17.321 4.171 -0.567 1.00 0.59 C ATOM 190 C THR A 19 -17.425 4.491 -2.070 1.00 0.61 C ATOM 191 O THR A 19 -16.904 3.773 -2.929 1.00 0.60 O ATOM 192 CB THR A 19 -16.132 4.921 0.076 1.00 0.56 C ATOM 193 OG1 THR A 19 -16.064 4.611 1.473 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.216 6.444 -0.053 1.00 0.58 C ATOM 0 H THR A 19 -16.793 2.252 -1.195 1.00 0.57 H new ATOM 0 HA THR A 19 -18.241 4.502 -0.085 1.00 0.59 H new ATOM 0 HB THR A 19 -15.247 4.587 -0.465 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.463 3.849 1.610 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.346 6.898 0.422 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.238 6.719 -1.107 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.123 6.801 0.434 1.00 0.58 H new ATOM 202 N GLN A 20 -18.117 5.590 -2.330 1.00 0.65 N ATOM 203 CA GLN A 20 -18.328 6.165 -3.663 1.00 0.68 C ATOM 204 C GLN A 20 -17.959 7.651 -3.713 1.00 0.68 C ATOM 205 O GLN A 20 -18.790 8.559 -3.747 1.00 0.72 O ATOM 206 CB GLN A 20 -19.759 5.896 -4.167 1.00 0.72 C ATOM 207 CG GLN A 20 -20.917 6.545 -3.397 1.00 0.75 C ATOM 208 CD GLN A 20 -21.103 6.065 -1.956 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.607 5.060 -1.470 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.913 6.787 -1.228 1.00 0.76 N ATOM 0 H GLN A 20 -18.568 6.132 -1.593 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.648 5.661 -4.349 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.818 6.227 -5.204 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.918 4.818 -4.167 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.762 7.624 -3.385 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.842 6.362 -3.944 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.336 7.629 -1.618 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -22.122 6.508 -0.269 1.00 0.76 H new ATOM 219 N GLY A 21 -16.644 7.868 -3.664 1.00 0.65 N ATOM 220 CA GLY A 21 -16.128 9.224 -3.826 1.00 0.65 C ATOM 221 C GLY A 21 -15.986 9.585 -5.321 1.00 0.68 C ATOM 222 O GLY A 21 -16.184 8.715 -6.162 1.00 0.69 O ATOM 0 H GLY A 21 -15.938 7.147 -3.518 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.798 9.933 -3.339 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -15.159 9.310 -3.333 1.00 0.65 H new ATOM 226 N VAL A 22 -15.484 10.747 -5.722 1.00 0.69 N ATOM 227 CA VAL A 22 -14.812 11.912 -5.074 1.00 0.68 C ATOM 228 C VAL A 22 -13.650 12.319 -6.007 1.00 0.67 C ATOM 229 O VAL A 22 -13.488 11.753 -7.084 1.00 0.68 O ATOM 230 CB VAL A 22 -14.318 11.703 -3.614 1.00 0.64 C ATOM 231 CG1 VAL A 22 -13.106 10.766 -3.464 1.00 0.60 C ATOM 232 CG2 VAL A 22 -14.152 13.014 -2.836 1.00 0.65 C ATOM 0 H VAL A 22 -15.547 10.947 -6.720 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.559 12.697 -4.954 1.00 0.68 H new ATOM 0 HB VAL A 22 -15.138 11.163 -3.140 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.837 10.684 -2.411 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.359 9.779 -3.851 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -12.262 11.170 -4.023 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.805 12.796 -1.826 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -13.423 13.647 -3.341 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -15.110 13.532 -2.787 1.00 0.65 H new ATOM 242 N HIS A 23 -12.806 13.243 -5.565 1.00 0.66 N ATOM 243 CA HIS A 23 -11.608 13.630 -6.313 1.00 0.66 C ATOM 244 C HIS A 23 -10.343 13.302 -5.492 1.00 0.62 C ATOM 245 O HIS A 23 -10.339 13.508 -4.273 1.00 0.60 O ATOM 246 CB HIS A 23 -11.700 15.120 -6.660 1.00 0.69 C ATOM 247 CG HIS A 23 -10.634 15.531 -7.681 1.00 0.70 C ATOM 248 ND1 HIS A 23 -9.356 15.758 -7.400 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.810 15.762 -8.978 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.739 16.143 -8.515 1.00 0.70 C ATOM 251 NE2 HIS A 23 -9.641 16.145 -9.490 1.00 0.73 N ATOM 0 H HIS A 23 -12.928 13.744 -4.685 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.541 13.066 -7.243 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.690 15.340 -7.059 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.583 15.713 -5.753 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.737 15.658 -9.521 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.696 16.406 -8.610 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -9.468 16.396 -10.463 1.00 0.73 H new ATOM 259 N PRO A 24 -9.273 12.868 -6.181 1.00 0.61 N ATOM 260 CA PRO A 24 -7.938 12.622 -5.598 1.00 0.58 C ATOM 261 C PRO A 24 -7.418 13.805 -4.785 1.00 0.58 C ATOM 262 O PRO A 24 -6.559 13.617 -3.939 1.00 0.56 O ATOM 263 CB PRO A 24 -6.999 12.491 -6.789 1.00 0.60 C ATOM 264 CG PRO A 24 -7.886 11.927 -7.885 1.00 0.62 C ATOM 265 CD PRO A 24 -9.248 12.558 -7.627 1.00 0.64 C ATOM 0 HA PRO A 24 -7.993 11.753 -4.943 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.575 13.454 -7.073 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -6.163 11.827 -6.569 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.509 12.185 -8.875 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.936 10.839 -7.837 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -9.382 13.460 -8.224 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -10.054 11.875 -7.896 1.00 0.64 H new ATOM 273 N LYS A 25 -7.944 15.000 -5.050 1.00 0.61 N ATOM 274 CA LYS A 25 -7.573 16.247 -4.365 1.00 0.61 C ATOM 275 C LYS A 25 -7.644 16.123 -2.832 1.00 0.59 C ATOM 276 O LYS A 25 -6.872 16.752 -2.122 1.00 0.59 O ATOM 277 CB LYS A 25 -8.512 17.357 -4.832 1.00 0.65 C ATOM 278 CG LYS A 25 -7.741 18.669 -4.974 1.00 0.67 C ATOM 279 CD LYS A 25 -8.620 19.822 -5.466 1.00 0.70 C ATOM 280 CE LYS A 25 -9.622 20.273 -4.402 1.00 0.71 C ATOM 281 NZ LYS A 25 -9.559 21.730 -4.246 1.00 0.74 N ATOM 0 H LYS A 25 -8.659 15.136 -5.765 1.00 0.61 H new ATOM 0 HA LYS A 25 -6.538 16.476 -4.619 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.963 17.086 -5.787 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -9.327 17.480 -4.118 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -7.305 18.935 -4.011 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.914 18.526 -5.669 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.988 20.664 -5.749 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -9.158 19.511 -6.362 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -10.630 19.972 -4.688 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -9.401 19.786 -3.452 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -10.242 22.031 -3.522 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -8.600 22.007 -3.954 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -9.791 22.186 -5.151 1.00 0.74 H new ATOM 295 N MET A 26 -8.534 15.245 -2.367 1.00 0.58 N ATOM 296 CA MET A 26 -8.683 14.924 -0.936 1.00 0.58 C ATOM 297 C MET A 26 -7.758 13.790 -0.461 1.00 0.54 C ATOM 298 O MET A 26 -7.517 13.623 0.737 1.00 0.54 O ATOM 299 CB MET A 26 -10.146 14.600 -0.626 1.00 0.59 C ATOM 300 CG MET A 26 -11.072 15.804 -0.856 1.00 0.67 C ATOM 301 SD MET A 26 -10.925 17.126 0.404 1.00 0.79 S ATOM 302 CE MET A 26 -9.966 18.353 -0.462 1.00 1.08 C ATOM 0 H MET A 26 -9.177 14.732 -2.970 1.00 0.58 H new ATOM 0 HA MET A 26 -8.376 15.809 -0.380 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.472 13.769 -1.252 1.00 0.59 H new ATOM 0 HB3 MET A 26 -10.231 14.272 0.410 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.858 16.229 -1.837 1.00 0.67 H new ATOM 0 HG3 MET A 26 -12.104 15.454 -0.878 1.00 0.67 H new ATOM 0 HE1 MET A 26 -9.461 18.996 0.259 1.00 1.08 H new ATOM 0 HE2 MET A 26 -9.224 17.859 -1.089 1.00 1.08 H new ATOM 0 HE3 MET A 26 -10.625 18.956 -1.087 1.00 1.08 H new ATOM 312 N ILE A 27 -7.255 12.992 -1.399 1.00 0.52 N ATOM 313 CA ILE A 27 -6.380 11.861 -1.065 1.00 0.50 C ATOM 314 C ILE A 27 -4.903 12.265 -1.101 1.00 0.51 C ATOM 315 O ILE A 27 -4.498 13.098 -1.914 1.00 0.58 O ATOM 316 CB ILE A 27 -6.602 10.675 -2.037 1.00 0.53 C ATOM 317 CG1 ILE A 27 -8.095 10.501 -2.354 1.00 0.56 C ATOM 318 CG2 ILE A 27 -6.024 9.386 -1.457 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.944 10.125 -1.154 1.00 0.57 C ATOM 0 H ILE A 27 -7.435 13.104 -2.397 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.640 11.551 -0.053 1.00 0.50 H new ATOM 0 HB ILE A 27 -6.079 10.898 -2.967 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.476 11.430 -2.778 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -8.206 9.732 -3.119 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -6.191 8.566 -2.155 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.954 9.509 -1.291 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.514 9.161 -0.510 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.984 10.021 -1.462 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.592 9.180 -0.741 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.866 10.904 -0.395 1.00 0.57 H new ATOM 331 N SER A 28 -4.098 11.670 -0.214 1.00 0.49 N ATOM 332 CA SER A 28 -2.667 11.967 -0.147 1.00 0.54 C ATOM 333 C SER A 28 -1.858 10.726 0.245 1.00 0.55 C ATOM 334 O SER A 28 -0.649 10.809 0.466 1.00 0.69 O ATOM 335 CB SER A 28 -2.408 13.096 0.855 1.00 0.61 C ATOM 336 OG SER A 28 -3.029 14.302 0.446 1.00 0.69 O ATOM 0 H SER A 28 -4.415 10.980 0.467 1.00 0.49 H new ATOM 0 HA SER A 28 -2.344 12.283 -1.139 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.783 12.807 1.837 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.334 13.254 0.958 1.00 0.61 H new ATOM 0 HG SER A 28 -2.606 15.059 0.902 1.00 0.69 H new ATOM 342 N ASN A 29 -2.534 9.582 0.330 1.00 0.51 N ATOM 343 CA ASN A 29 -1.889 8.321 0.701 1.00 0.51 C ATOM 344 C ASN A 29 -2.767 7.134 0.306 1.00 0.50 C ATOM 345 O ASN A 29 -3.943 7.077 0.665 1.00 0.51 O ATOM 346 CB ASN A 29 -1.616 8.296 2.212 1.00 0.54 C ATOM 347 CG ASN A 29 -0.956 7.012 2.680 1.00 0.57 C ATOM 348 OD1 ASN A 29 0.264 6.875 2.630 1.00 0.64 O ATOM 349 ND2 ASN A 29 -1.761 6.066 3.151 1.00 0.78 N ATOM 0 H ASN A 29 -3.534 9.501 0.146 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.942 8.244 0.167 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -0.978 9.141 2.473 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.556 8.429 2.747 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -1.371 5.186 3.488 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -2.769 6.220 3.175 1.00 0.78 H new ATOM 356 N LEU A 30 -2.193 6.196 -0.438 1.00 0.54 N ATOM 357 CA LEU A 30 -2.921 5.011 -0.876 1.00 0.56 C ATOM 358 C LEU A 30 -2.346 3.757 -0.225 1.00 0.57 C ATOM 359 O LEU A 30 -1.177 3.719 0.138 1.00 0.74 O ATOM 360 CB LEU A 30 -2.872 4.887 -2.404 1.00 0.60 C ATOM 361 CG LEU A 30 -3.680 3.728 -2.995 1.00 0.67 C ATOM 362 CD1 LEU A 30 -5.171 3.973 -2.826 1.00 0.69 C ATOM 363 CD2 LEU A 30 -3.333 3.529 -4.464 1.00 0.73 C ATOM 0 H LEU A 30 -1.223 6.233 -0.751 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.961 5.114 -0.568 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -3.234 5.819 -2.839 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.832 4.775 -2.709 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.420 2.818 -2.454 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.727 3.138 -3.252 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.407 4.063 -1.766 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -5.449 4.894 -3.339 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.917 2.701 -4.867 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -3.563 4.439 -5.019 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -2.271 3.304 -4.560 1.00 0.73 H new ATOM 375 N GLN A 31 -3.185 2.738 -0.067 1.00 0.50 N ATOM 376 CA GLN A 31 -2.770 1.472 0.531 1.00 0.51 C ATOM 377 C GLN A 31 -3.488 0.307 -0.148 1.00 0.52 C ATOM 378 O GLN A 31 -4.681 0.383 -0.432 1.00 0.61 O ATOM 379 CB GLN A 31 -3.069 1.456 2.033 1.00 0.54 C ATOM 380 CG GLN A 31 -2.226 2.423 2.853 1.00 0.61 C ATOM 381 CD GLN A 31 -2.837 2.719 4.208 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.608 3.665 4.360 1.00 1.16 O ATOM 383 NE2 GLN A 31 -2.496 1.907 5.202 1.00 1.16 N ATOM 0 H GLN A 31 -4.165 2.765 -0.347 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.695 1.366 0.387 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -4.122 1.693 2.184 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.912 0.446 2.411 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -1.229 2.004 2.991 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -2.107 3.355 2.300 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -1.853 1.134 5.031 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -2.877 2.056 6.136 1.00 1.16 H new ATOM 392 N VAL A 32 -2.754 -0.769 -0.415 1.00 0.49 N ATOM 393 CA VAL A 32 -3.320 -1.949 -1.061 1.00 0.51 C ATOM 394 C VAL A 32 -3.012 -3.204 -0.251 1.00 0.50 C ATOM 395 O VAL A 32 -1.872 -3.434 0.143 1.00 0.61 O ATOM 396 CB VAL A 32 -2.781 -2.133 -2.498 1.00 0.56 C ATOM 397 CG1 VAL A 32 -3.564 -3.210 -3.234 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.823 -0.821 -3.271 1.00 0.59 C ATOM 0 H VAL A 32 -1.762 -0.848 -0.193 1.00 0.49 H new ATOM 0 HA VAL A 32 -4.398 -1.796 -1.112 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.741 -2.451 -2.426 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -3.168 -3.323 -4.243 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -3.472 -4.156 -2.700 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.615 -2.924 -3.287 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -2.438 -0.980 -4.278 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.852 -0.465 -3.327 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -2.209 -0.078 -2.761 1.00 0.59 H new ATOM 408 N PHE A 33 -4.041 -4.008 -0.008 1.00 0.48 N ATOM 409 CA PHE A 33 -3.898 -5.243 0.754 1.00 0.49 C ATOM 410 C PHE A 33 -4.275 -6.446 -0.107 1.00 0.52 C ATOM 411 O PHE A 33 -5.395 -6.528 -0.610 1.00 0.57 O ATOM 412 CB PHE A 33 -4.794 -5.203 1.998 1.00 0.52 C ATOM 413 CG PHE A 33 -4.184 -4.499 3.176 1.00 0.53 C ATOM 414 CD1 PHE A 33 -4.234 -3.116 3.282 1.00 0.60 C ATOM 415 CD2 PHE A 33 -3.566 -5.221 4.184 1.00 0.63 C ATOM 416 CE1 PHE A 33 -3.681 -2.471 4.372 1.00 0.68 C ATOM 417 CE2 PHE A 33 -3.010 -4.581 5.275 1.00 0.73 C ATOM 418 CZ PHE A 33 -3.066 -3.204 5.368 1.00 0.72 C ATOM 0 H PHE A 33 -4.991 -3.824 -0.331 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.857 -5.338 1.063 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.732 -4.710 1.741 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -5.040 -6.225 2.287 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -4.710 -2.538 2.504 1.00 0.60 H new ATOM 0 HD2 PHE A 33 -3.518 -6.298 4.116 1.00 0.63 H new ATOM 0 HE1 PHE A 33 -3.730 -1.395 4.445 1.00 0.68 H new ATOM 0 HE2 PHE A 33 -2.532 -5.157 6.054 1.00 0.73 H new ATOM 0 HZ PHE A 33 -2.629 -2.701 6.218 1.00 0.72 H new ATOM 428 N ALA A 34 -3.338 -7.379 -0.277 1.00 0.53 N ATOM 429 CA ALA A 34 -3.597 -8.572 -1.077 1.00 0.58 C ATOM 430 C ALA A 34 -4.270 -9.665 -0.246 1.00 0.58 C ATOM 431 O ALA A 34 -4.831 -9.394 0.819 1.00 0.62 O ATOM 432 CB ALA A 34 -2.302 -9.086 -1.687 1.00 0.66 C ATOM 0 H ALA A 34 -2.402 -7.331 0.125 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.282 -8.298 -1.880 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.508 -9.976 -2.281 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.869 -8.315 -2.325 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.599 -9.335 -0.892 1.00 0.66 H new ATOM 438 N ILE A 35 -4.216 -10.899 -0.744 1.00 0.63 N ATOM 439 CA ILE A 35 -4.814 -12.040 -0.060 1.00 0.65 C ATOM 440 C ILE A 35 -4.056 -12.378 1.224 1.00 0.62 C ATOM 441 O ILE A 35 -2.867 -12.701 1.192 1.00 0.68 O ATOM 442 CB ILE A 35 -4.852 -13.280 -0.983 1.00 0.77 C ATOM 443 CG1 ILE A 35 -5.693 -12.985 -2.230 1.00 0.91 C ATOM 444 CG2 ILE A 35 -5.402 -14.495 -0.239 1.00 0.80 C ATOM 445 CD1 ILE A 35 -5.646 -14.081 -3.273 1.00 1.14 C ATOM 0 H ILE A 35 -3.760 -11.133 -1.626 1.00 0.63 H new ATOM 0 HA ILE A 35 -5.835 -11.761 0.202 1.00 0.65 H new ATOM 0 HB ILE A 35 -3.833 -13.509 -1.295 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -6.729 -12.827 -1.929 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.346 -12.054 -2.679 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -5.419 -15.355 -0.909 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -4.766 -14.715 0.618 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -6.414 -14.283 0.105 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -6.265 -13.800 -4.125 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -4.617 -14.225 -3.604 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -6.022 -15.009 -2.843 1.00 1.14 H new ATOM 457 N GLY A 36 -4.756 -12.291 2.353 1.00 0.61 N ATOM 458 CA GLY A 36 -4.148 -12.588 3.636 1.00 0.63 C ATOM 459 C GLY A 36 -4.963 -13.584 4.441 1.00 0.65 C ATOM 460 O GLY A 36 -5.835 -14.258 3.894 1.00 0.66 O ATOM 0 H GLY A 36 -5.738 -12.019 2.400 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.146 -12.986 3.478 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.039 -11.666 4.206 1.00 0.63 H new ATOM 464 N PRO A 37 -4.696 -13.701 5.755 1.00 0.69 N ATOM 465 CA PRO A 37 -5.416 -14.623 6.638 1.00 0.74 C ATOM 466 C PRO A 37 -6.778 -14.079 7.073 1.00 0.72 C ATOM 467 O PRO A 37 -7.565 -14.788 7.699 1.00 0.77 O ATOM 468 CB PRO A 37 -4.487 -14.753 7.858 1.00 0.81 C ATOM 469 CG PRO A 37 -3.264 -13.946 7.549 1.00 0.79 C ATOM 470 CD PRO A 37 -3.663 -12.964 6.487 1.00 0.71 C ATOM 0 HA PRO A 37 -5.631 -15.568 6.140 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -4.977 -14.385 8.760 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.228 -15.796 8.039 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -2.903 -13.431 8.439 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -2.453 -14.586 7.201 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.049 -12.038 6.913 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -2.824 -12.695 5.846 1.00 0.71 H new ATOM 478 N GLN A 38 -7.053 -12.821 6.734 1.00 0.66 N ATOM 479 CA GLN A 38 -8.325 -12.186 7.109 1.00 0.65 C ATOM 480 C GLN A 38 -9.226 -11.886 5.899 1.00 0.61 C ATOM 481 O GLN A 38 -10.424 -11.665 6.050 1.00 0.62 O ATOM 482 CB GLN A 38 -8.030 -10.907 7.902 1.00 0.65 C ATOM 483 CG GLN A 38 -7.271 -9.840 7.107 1.00 0.60 C ATOM 484 CD GLN A 38 -7.022 -8.609 7.974 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.347 -8.643 8.988 1.00 0.73 O ATOM 486 NE2 GLN A 38 -7.530 -7.486 7.529 1.00 0.61 N ATOM 0 H GLN A 38 -6.421 -12.221 6.204 1.00 0.66 H new ATOM 0 HA GLN A 38 -8.881 -12.890 7.728 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -8.972 -10.483 8.251 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -7.450 -11.167 8.787 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.321 -10.245 6.757 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -7.843 -9.560 6.223 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.092 -7.482 6.678 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -7.363 -6.616 8.034 1.00 0.61 H new ATOM 495 N CYS A 39 -8.618 -11.809 4.720 1.00 0.57 N ATOM 496 CA CYS A 39 -9.353 -11.480 3.503 1.00 0.55 C ATOM 497 C CYS A 39 -8.800 -12.242 2.303 1.00 0.61 C ATOM 498 O CYS A 39 -7.655 -12.689 2.313 1.00 0.71 O ATOM 499 CB CYS A 39 -9.260 -9.971 3.249 1.00 0.49 C ATOM 500 SG CYS A 39 -10.694 -9.253 2.384 1.00 0.47 S ATOM 0 H CYS A 39 -7.620 -11.969 4.581 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.395 -11.771 3.636 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.138 -9.462 4.205 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.362 -9.770 2.664 1.00 0.49 H new ATOM 505 N SER A 40 -9.619 -12.379 1.267 1.00 0.67 N ATOM 506 CA SER A 40 -9.208 -13.081 0.056 1.00 0.78 C ATOM 507 C SER A 40 -9.462 -12.210 -1.174 1.00 0.74 C ATOM 508 O SER A 40 -9.722 -12.713 -2.266 1.00 0.97 O ATOM 509 CB SER A 40 -9.962 -14.408 -0.061 1.00 0.92 C ATOM 510 OG SER A 40 -9.365 -15.257 -1.027 1.00 1.07 O ATOM 0 H SER A 40 -10.571 -12.014 1.241 1.00 0.67 H new ATOM 0 HA SER A 40 -8.140 -13.290 0.114 1.00 0.78 H new ATOM 0 HB2 SER A 40 -9.975 -14.908 0.907 1.00 0.92 H new ATOM 0 HB3 SER A 40 -11.000 -14.216 -0.334 1.00 0.92 H new ATOM 0 HG SER A 40 -9.304 -14.786 -1.884 1.00 1.07 H new ATOM 516 N LYS A 41 -9.374 -10.896 -0.982 1.00 0.72 N ATOM 517 CA LYS A 41 -9.602 -9.945 -2.064 1.00 0.69 C ATOM 518 C LYS A 41 -8.654 -8.752 -1.951 1.00 0.68 C ATOM 519 O LYS A 41 -8.249 -8.370 -0.852 1.00 0.70 O ATOM 520 CB LYS A 41 -11.056 -9.460 -2.030 1.00 0.68 C ATOM 521 CG LYS A 41 -11.422 -8.522 -3.170 1.00 0.77 C ATOM 522 CD LYS A 41 -12.706 -7.764 -2.875 1.00 0.88 C ATOM 523 CE LYS A 41 -13.010 -6.740 -3.958 1.00 1.07 C ATOM 524 NZ LYS A 41 -14.216 -5.929 -3.632 1.00 1.29 N ATOM 0 H LYS A 41 -9.146 -10.466 -0.085 1.00 0.72 H new ATOM 0 HA LYS A 41 -9.408 -10.448 -3.011 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -11.718 -10.326 -2.059 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -11.237 -8.952 -1.083 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -10.610 -7.814 -3.336 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -11.539 -9.094 -4.090 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -13.535 -8.467 -2.795 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -12.620 -7.262 -1.912 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -12.152 -6.080 -4.085 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -13.162 -7.251 -4.909 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -14.247 -5.090 -4.246 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -15.071 -6.501 -3.784 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -14.173 -5.628 -2.637 1.00 1.29 H new ATOM 538 N VAL A 42 -8.302 -8.170 -3.096 1.00 0.67 N ATOM 539 CA VAL A 42 -7.421 -7.010 -3.133 1.00 0.68 C ATOM 540 C VAL A 42 -8.207 -5.728 -2.855 1.00 0.67 C ATOM 541 O VAL A 42 -8.773 -5.119 -3.762 1.00 0.75 O ATOM 542 CB VAL A 42 -6.689 -6.885 -4.488 1.00 0.74 C ATOM 543 CG1 VAL A 42 -5.428 -7.735 -4.492 1.00 0.80 C ATOM 544 CG2 VAL A 42 -7.603 -7.282 -5.643 1.00 0.83 C ATOM 0 H VAL A 42 -8.617 -8.487 -4.013 1.00 0.67 H new ATOM 0 HA VAL A 42 -6.672 -7.153 -2.355 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.406 -5.841 -4.624 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -4.925 -7.635 -5.454 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -4.761 -7.400 -3.697 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -5.693 -8.780 -4.328 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.063 -7.185 -6.585 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -7.924 -8.316 -5.514 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -8.476 -6.630 -5.657 1.00 0.83 H new ATOM 554 N GLU A 43 -8.243 -5.332 -1.588 1.00 0.60 N ATOM 555 CA GLU A 43 -8.964 -4.133 -1.173 1.00 0.59 C ATOM 556 C GLU A 43 -8.027 -2.955 -1.206 1.00 0.58 C ATOM 557 O GLU A 43 -6.858 -3.054 -0.827 1.00 0.63 O ATOM 558 CB GLU A 43 -9.562 -4.334 0.224 1.00 0.60 C ATOM 559 CG GLU A 43 -10.253 -5.678 0.392 1.00 0.66 C ATOM 560 CD GLU A 43 -11.103 -5.759 1.637 1.00 0.70 C ATOM 561 OE1 GLU A 43 -10.536 -5.897 2.739 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.340 -5.695 1.507 1.00 0.79 O ATOM 0 H GLU A 43 -7.779 -5.826 -0.826 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.788 -3.940 -1.860 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -8.770 -4.244 0.968 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.278 -3.537 0.424 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -10.878 -5.869 -0.480 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -9.500 -6.465 0.423 1.00 0.66 H new ATOM 569 N VAL A 44 -8.545 -1.814 -1.655 1.00 0.55 N ATOM 570 CA VAL A 44 -7.740 -0.603 -1.747 1.00 0.56 C ATOM 571 C VAL A 44 -8.210 0.482 -0.782 1.00 0.54 C ATOM 572 O VAL A 44 -9.208 1.165 -1.014 1.00 0.57 O ATOM 573 CB VAL A 44 -7.709 -0.030 -3.180 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.860 -0.905 -4.087 1.00 0.66 C ATOM 575 CG2 VAL A 44 -9.112 0.110 -3.744 1.00 0.64 C ATOM 0 H VAL A 44 -9.513 -1.705 -1.959 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.731 -0.904 -1.467 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.262 0.963 -3.134 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.850 -0.485 -5.093 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.841 -0.948 -3.702 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -7.279 -1.911 -4.118 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -9.059 0.516 -4.754 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.593 -0.868 -3.770 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.692 0.783 -3.113 1.00 0.64 H new ATOM 585 N VAL A 45 -7.482 0.610 0.314 1.00 0.51 N ATOM 586 CA VAL A 45 -7.767 1.628 1.346 1.00 0.50 C ATOM 587 C VAL A 45 -6.941 2.909 1.096 1.00 0.51 C ATOM 588 O VAL A 45 -5.916 2.914 0.411 1.00 0.54 O ATOM 589 CB VAL A 45 -7.603 1.080 2.784 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.700 -0.429 2.841 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.242 1.268 3.411 1.00 0.67 C ATOM 0 H VAL A 45 -6.677 0.020 0.526 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.819 1.898 1.259 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.388 1.637 3.295 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.578 -0.763 3.871 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -8.675 -0.745 2.470 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -6.917 -0.868 2.223 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.243 0.847 4.416 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.490 0.762 2.806 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -6.009 2.332 3.464 1.00 0.67 H new ATOM 601 N ALA A 46 -7.501 4.030 1.512 1.00 0.52 N ATOM 602 CA ALA A 46 -6.852 5.349 1.355 1.00 0.54 C ATOM 603 C ALA A 46 -7.066 6.221 2.595 1.00 0.55 C ATOM 604 O ALA A 46 -8.027 6.031 3.346 1.00 0.55 O ATOM 605 CB ALA A 46 -7.402 6.055 0.111 1.00 0.58 C ATOM 0 H ALA A 46 -8.413 4.068 1.967 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.780 5.191 1.236 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.920 7.026 0.001 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -7.200 5.448 -0.771 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.478 6.194 0.217 1.00 0.58 H new ATOM 611 N SER A 47 -6.128 7.134 2.807 1.00 0.57 N ATOM 612 CA SER A 47 -6.199 8.108 3.911 1.00 0.60 C ATOM 613 C SER A 47 -6.112 9.535 3.371 1.00 0.64 C ATOM 614 O SER A 47 -5.253 9.873 2.547 1.00 0.65 O ATOM 615 CB SER A 47 -5.070 7.895 4.920 1.00 0.63 C ATOM 616 OG SER A 47 -5.079 6.543 5.384 1.00 0.62 O ATOM 0 H SER A 47 -5.295 7.228 2.226 1.00 0.57 H new ATOM 0 HA SER A 47 -7.155 7.957 4.412 1.00 0.60 H new ATOM 0 HB2 SER A 47 -4.110 8.123 4.458 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.189 8.578 5.761 1.00 0.63 H new ATOM 0 HG SER A 47 -4.352 6.413 6.029 1.00 0.62 H new ATOM 622 N LEU A 48 -7.017 10.378 3.858 1.00 0.66 N ATOM 623 CA LEU A 48 -7.074 11.777 3.459 1.00 0.71 C ATOM 624 C LEU A 48 -6.029 12.593 4.213 1.00 0.74 C ATOM 625 O LEU A 48 -5.451 12.124 5.194 1.00 0.74 O ATOM 626 CB LEU A 48 -8.471 12.354 3.729 1.00 0.72 C ATOM 627 CG LEU A 48 -9.567 11.936 2.741 1.00 0.74 C ATOM 628 CD1 LEU A 48 -10.051 10.520 3.030 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.728 12.916 2.798 1.00 0.79 C ATOM 0 H LEU A 48 -7.729 10.110 4.538 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.864 11.834 2.391 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.779 12.057 4.731 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.401 13.442 3.726 1.00 0.72 H new ATOM 0 HG LEU A 48 -9.144 11.950 1.736 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.828 10.248 2.315 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.216 9.825 2.941 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.456 10.473 4.041 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.499 12.608 2.092 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -11.143 12.930 3.806 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.375 13.914 2.537 1.00 0.79 H new ATOM 641 N LYS A 49 -5.795 13.820 3.754 1.00 0.80 N ATOM 642 CA LYS A 49 -4.822 14.703 4.392 1.00 0.86 C ATOM 643 C LYS A 49 -5.409 15.322 5.664 1.00 0.87 C ATOM 644 O LYS A 49 -4.693 15.921 6.467 1.00 0.93 O ATOM 645 CB LYS A 49 -4.384 15.800 3.414 1.00 0.94 C ATOM 646 CG LYS A 49 -3.174 16.600 3.881 1.00 1.01 C ATOM 647 CD LYS A 49 -1.940 15.720 4.032 1.00 1.07 C ATOM 648 CE LYS A 49 -0.765 16.500 4.598 1.00 1.20 C ATOM 649 NZ LYS A 49 -1.055 17.042 5.955 1.00 1.23 N ATOM 0 H LYS A 49 -6.265 14.225 2.944 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.948 14.114 4.671 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.155 15.344 2.451 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.218 16.483 3.253 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -2.967 17.397 3.167 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -3.399 17.077 4.835 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -2.169 14.879 4.687 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.668 15.303 3.062 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.110 15.852 4.646 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.517 17.321 3.925 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -0.164 17.309 6.420 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.666 17.879 5.871 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -1.538 16.317 6.523 1.00 1.23 H new ATOM 663 N ASN A 50 -6.717 15.154 5.843 1.00 0.84 N ATOM 664 CA ASN A 50 -7.414 15.686 7.010 1.00 0.88 C ATOM 665 C ASN A 50 -7.240 14.766 8.219 1.00 0.84 C ATOM 666 O ASN A 50 -7.450 15.181 9.360 1.00 1.01 O ATOM 667 CB ASN A 50 -8.903 15.861 6.700 1.00 0.90 C ATOM 668 CG ASN A 50 -9.147 16.810 5.541 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.389 17.756 5.326 1.00 1.05 O ATOM 670 ND2 ASN A 50 -10.210 16.561 4.786 1.00 1.01 N ATOM 0 H ASN A 50 -7.318 14.651 5.190 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.980 16.656 7.251 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.339 14.889 6.468 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -9.414 16.236 7.587 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.425 17.165 3.992 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.812 15.766 4.999 1.00 1.01 H new ATOM 677 N GLY A 51 -6.857 13.516 7.960 1.00 0.70 N ATOM 678 CA GLY A 51 -6.659 12.560 9.035 1.00 0.69 C ATOM 679 C GLY A 51 -7.771 11.531 9.113 1.00 0.64 C ATOM 680 O GLY A 51 -8.227 11.183 10.203 1.00 0.69 O ATOM 0 H GLY A 51 -6.681 13.150 7.024 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.706 12.050 8.892 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.595 13.093 9.983 1.00 0.69 H new ATOM 684 N LYS A 52 -8.208 11.044 7.953 1.00 0.60 N ATOM 685 CA LYS A 52 -9.274 10.048 7.892 1.00 0.57 C ATOM 686 C LYS A 52 -8.883 8.881 6.990 1.00 0.53 C ATOM 687 O LYS A 52 -7.989 9.001 6.161 1.00 0.62 O ATOM 688 CB LYS A 52 -10.572 10.682 7.381 1.00 0.62 C ATOM 689 CG LYS A 52 -11.198 11.670 8.354 1.00 0.70 C ATOM 690 CD LYS A 52 -12.511 12.227 7.825 1.00 0.86 C ATOM 691 CE LYS A 52 -13.599 11.164 7.782 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.896 11.719 7.306 1.00 1.19 N ATOM 0 H LYS A 52 -7.840 11.323 7.044 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.433 9.669 8.902 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.370 11.192 6.439 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.292 9.892 7.167 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.371 11.178 9.311 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.503 12.489 8.538 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.836 13.054 8.456 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -12.358 12.631 6.824 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.288 10.352 7.125 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.729 10.737 8.776 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.612 10.965 7.291 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -15.206 12.477 7.947 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.778 12.104 6.347 1.00 1.19 H new ATOM 706 N GLU A 53 -9.564 7.755 7.169 1.00 0.52 N ATOM 707 CA GLU A 53 -9.312 6.546 6.367 1.00 0.49 C ATOM 708 C GLU A 53 -10.643 5.913 5.944 1.00 0.49 C ATOM 709 O GLU A 53 -11.557 5.735 6.754 1.00 0.51 O ATOM 710 CB GLU A 53 -8.467 5.554 7.175 1.00 0.49 C ATOM 711 CG GLU A 53 -9.222 5.019 8.401 1.00 0.63 C ATOM 712 CD GLU A 53 -8.345 4.216 9.345 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.377 4.821 9.853 1.00 0.64 O ATOM 714 OE2 GLU A 53 -8.715 3.049 9.595 1.00 0.69 O ATOM 0 H GLU A 53 -10.301 7.646 7.865 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.760 6.816 5.467 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.177 4.720 6.536 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.548 6.041 7.500 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.657 5.857 8.945 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.049 4.394 8.065 1.00 0.63 H new ATOM 721 N ILE A 54 -10.740 5.645 4.662 1.00 0.47 N ATOM 722 CA ILE A 54 -11.941 4.995 4.102 1.00 0.47 C ATOM 723 C ILE A 54 -11.531 3.769 3.275 1.00 0.45 C ATOM 724 O ILE A 54 -10.344 3.495 3.074 1.00 0.43 O ATOM 725 CB ILE A 54 -12.788 6.005 3.302 1.00 0.49 C ATOM 726 CG1 ILE A 54 -12.007 6.548 2.092 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.324 7.111 4.231 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.828 7.422 1.139 1.00 0.51 C ATOM 0 H ILE A 54 -10.015 5.859 3.977 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.577 4.640 4.913 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.658 5.495 2.890 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.159 7.128 2.455 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.601 5.706 1.532 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.920 7.816 3.651 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.944 6.664 5.008 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.487 7.636 4.692 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.195 7.759 0.318 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.661 6.843 0.741 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.212 8.287 1.679 1.00 0.51 H new ATOM 740 N CYS A 55 -12.545 3.109 2.735 1.00 0.46 N ATOM 741 CA CYS A 55 -12.354 1.940 1.866 1.00 0.44 C ATOM 742 C CYS A 55 -13.111 2.154 0.564 1.00 0.46 C ATOM 743 O CYS A 55 -14.270 2.559 0.548 1.00 0.49 O ATOM 744 CB CYS A 55 -12.895 0.690 2.544 1.00 0.45 C ATOM 745 SG CYS A 55 -11.919 0.161 3.996 1.00 0.43 S ATOM 0 H CYS A 55 -13.522 3.361 2.881 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.289 1.816 1.670 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -13.923 0.873 2.856 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -12.921 -0.123 1.819 1.00 0.45 H new ATOM 750 N LEU A 56 -12.451 1.779 -0.507 1.00 0.46 N ATOM 751 CA LEU A 56 -13.012 1.937 -1.846 1.00 0.49 C ATOM 752 C LEU A 56 -13.258 0.548 -2.443 1.00 0.50 C ATOM 753 O LEU A 56 -12.568 -0.424 -2.116 1.00 0.48 O ATOM 754 CB LEU A 56 -11.971 2.781 -2.597 1.00 0.49 C ATOM 755 CG LEU A 56 -11.648 4.177 -2.049 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.772 4.913 -3.062 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.899 5.001 -1.738 1.00 0.51 C ATOM 0 H LEU A 56 -11.521 1.360 -0.486 1.00 0.46 H new ATOM 0 HA LEU A 56 -13.980 2.437 -1.887 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.042 2.212 -2.632 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.313 2.896 -3.625 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.121 4.049 -1.103 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.535 5.907 -2.684 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.849 4.355 -3.218 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.306 5.002 -4.008 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.605 5.978 -1.354 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.485 5.130 -2.648 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.499 4.483 -0.990 1.00 0.51 H new ATOM 769 N ASP A 57 -14.217 0.445 -3.351 1.00 0.53 N ATOM 770 CA ASP A 57 -14.487 -0.829 -4.008 1.00 0.54 C ATOM 771 C ASP A 57 -13.798 -0.877 -5.376 1.00 0.57 C ATOM 772 O ASP A 57 -14.200 -0.166 -6.297 1.00 0.62 O ATOM 773 CB ASP A 57 -15.991 -1.048 -4.178 1.00 0.59 C ATOM 774 CG ASP A 57 -16.385 -2.501 -3.990 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.677 -3.382 -4.521 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.398 -2.757 -3.306 1.00 0.67 O ATOM 0 H ASP A 57 -14.815 1.216 -3.648 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.090 -1.625 -3.378 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.530 -0.432 -3.458 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.294 -0.717 -5.171 1.00 0.59 H new ATOM 781 N PRO A 58 -12.741 -1.718 -5.522 1.00 0.58 N ATOM 782 CA PRO A 58 -11.994 -1.862 -6.791 1.00 0.64 C ATOM 783 C PRO A 58 -12.891 -2.330 -7.931 1.00 0.73 C ATOM 784 O PRO A 58 -12.542 -2.225 -9.108 1.00 0.86 O ATOM 785 CB PRO A 58 -10.942 -2.930 -6.477 1.00 0.68 C ATOM 786 CG PRO A 58 -10.848 -2.982 -4.994 1.00 0.63 C ATOM 787 CD PRO A 58 -12.200 -2.589 -4.467 1.00 0.59 C ATOM 0 HA PRO A 58 -11.569 -0.914 -7.120 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.234 -3.898 -6.885 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -9.980 -2.674 -6.921 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.576 -3.982 -4.657 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.077 -2.303 -4.630 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.834 -3.460 -4.301 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.122 -2.065 -3.514 1.00 0.59 H new ATOM 795 N GLU A 59 -14.044 -2.855 -7.547 1.00 0.69 N ATOM 796 CA GLU A 59 -15.065 -3.343 -8.483 1.00 0.81 C ATOM 797 C GLU A 59 -15.676 -2.234 -9.367 1.00 0.87 C ATOM 798 O GLU A 59 -16.326 -2.515 -10.373 1.00 0.96 O ATOM 799 CB GLU A 59 -16.156 -4.060 -7.678 1.00 0.84 C ATOM 800 CG GLU A 59 -17.135 -4.794 -8.593 1.00 1.11 C ATOM 801 CD GLU A 59 -18.203 -5.558 -7.818 1.00 1.18 C ATOM 802 OE1 GLU A 59 -18.944 -4.896 -7.058 1.00 1.35 O ATOM 803 OE2 GLU A 59 -18.240 -6.788 -8.008 1.00 1.29 O ATOM 0 H GLU A 59 -14.308 -2.959 -6.567 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.580 -4.029 -9.177 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -15.696 -4.770 -6.991 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -16.698 -3.335 -7.071 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -17.617 -4.074 -9.255 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -16.583 -5.489 -9.226 1.00 1.11 H new ATOM 810 N ALA A 60 -15.487 -0.981 -8.973 1.00 0.84 N ATOM 811 CA ALA A 60 -16.034 0.159 -9.715 1.00 0.92 C ATOM 812 C ALA A 60 -14.945 0.811 -10.593 1.00 0.95 C ATOM 813 O ALA A 60 -13.856 1.119 -10.101 1.00 0.92 O ATOM 814 CB ALA A 60 -16.614 1.142 -8.703 1.00 0.91 C ATOM 0 H ALA A 60 -14.957 -0.723 -8.140 1.00 0.84 H new ATOM 0 HA ALA A 60 -16.822 -0.168 -10.393 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.029 2.002 -9.228 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.401 0.652 -8.130 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.827 1.475 -8.027 1.00 0.91 H new ATOM 820 N PRO A 61 -15.288 1.122 -11.849 1.00 1.04 N ATOM 821 CA PRO A 61 -14.357 1.727 -12.823 1.00 1.08 C ATOM 822 C PRO A 61 -13.902 3.141 -12.434 1.00 1.06 C ATOM 823 O PRO A 61 -12.704 3.415 -12.406 1.00 1.05 O ATOM 824 CB PRO A 61 -15.124 1.722 -14.146 1.00 1.20 C ATOM 825 CG PRO A 61 -16.584 1.833 -13.712 1.00 1.24 C ATOM 826 CD PRO A 61 -16.633 0.983 -12.443 1.00 1.13 C ATOM 0 HA PRO A 61 -13.427 1.161 -12.876 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -14.830 2.556 -14.783 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -14.942 0.809 -14.712 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -16.869 2.867 -13.516 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.262 1.455 -14.477 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.406 1.335 -11.760 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -16.860 -0.058 -12.672 1.00 1.13 H new ATOM 834 N PHE A 62 -14.844 3.951 -11.945 1.00 1.08 N ATOM 835 CA PHE A 62 -14.551 5.320 -11.463 1.00 1.08 C ATOM 836 C PHE A 62 -13.561 5.312 -10.296 1.00 0.97 C ATOM 837 O PHE A 62 -12.775 6.239 -10.118 1.00 0.97 O ATOM 838 CB PHE A 62 -15.832 6.052 -11.045 1.00 1.15 C ATOM 839 CG PHE A 62 -16.538 5.403 -9.851 1.00 1.13 C ATOM 840 CD1 PHE A 62 -16.193 5.773 -8.557 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.542 4.471 -10.071 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.856 5.210 -7.478 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.214 3.921 -8.990 1.00 1.19 C ATOM 844 CZ PHE A 62 -17.866 4.282 -7.697 1.00 1.15 C ATOM 0 H PHE A 62 -15.826 3.688 -11.869 1.00 1.08 H new ATOM 0 HA PHE A 62 -14.096 5.853 -12.298 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -15.587 7.085 -10.796 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -16.518 6.082 -11.892 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.410 6.498 -8.392 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -17.798 4.176 -11.078 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.588 5.492 -6.470 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -19.010 3.210 -9.155 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.382 3.840 -6.857 1.00 1.15 H new ATOM 854 N LEU A 63 -13.544 4.202 -9.582 1.00 0.89 N ATOM 855 CA LEU A 63 -12.645 4.025 -8.468 1.00 0.79 C ATOM 856 C LEU A 63 -11.241 3.669 -8.957 1.00 0.80 C ATOM 857 O LEU A 63 -10.247 4.053 -8.347 1.00 0.80 O ATOM 858 CB LEU A 63 -13.182 2.930 -7.568 1.00 0.72 C ATOM 859 CG LEU A 63 -12.800 3.071 -6.112 1.00 0.64 C ATOM 860 CD1 LEU A 63 -14.055 3.039 -5.254 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.820 1.970 -5.728 1.00 0.63 C ATOM 0 H LEU A 63 -14.152 3.403 -9.761 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.579 4.958 -7.909 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.269 2.914 -7.645 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -12.822 1.968 -7.933 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.304 4.027 -5.944 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.781 3.141 -4.204 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.711 3.861 -5.539 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.574 2.092 -5.403 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.547 2.076 -4.678 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.286 0.997 -5.886 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.925 2.048 -6.345 1.00 0.63 H new ATOM 873 N LYS A 64 -11.178 2.937 -10.070 1.00 0.85 N ATOM 874 CA LYS A 64 -9.908 2.522 -10.669 1.00 0.90 C ATOM 875 C LYS A 64 -9.215 3.710 -11.348 1.00 0.94 C ATOM 876 O LYS A 64 -8.011 3.688 -11.606 1.00 0.99 O ATOM 877 CB LYS A 64 -10.156 1.399 -11.681 1.00 1.00 C ATOM 878 CG LYS A 64 -8.885 0.759 -12.220 1.00 1.10 C ATOM 879 CD LYS A 64 -9.188 -0.388 -13.174 1.00 1.26 C ATOM 880 CE LYS A 64 -9.806 0.101 -14.475 1.00 1.46 C ATOM 881 NZ LYS A 64 -10.081 -1.025 -15.411 1.00 1.71 N ATOM 0 H LYS A 64 -12.001 2.616 -10.580 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.252 2.153 -9.880 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -10.767 0.629 -11.211 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -10.732 1.797 -12.516 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -8.290 1.512 -12.736 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.283 0.391 -11.389 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -8.268 -0.931 -13.391 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -9.867 -1.091 -12.692 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -10.734 0.631 -14.261 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -9.134 0.815 -14.952 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -10.502 -0.654 -16.287 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -9.192 -1.515 -15.635 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -10.742 -1.693 -14.966 1.00 1.71 H new ATOM 895 N LYS A 65 -9.999 4.740 -11.629 1.00 0.94 N ATOM 896 CA LYS A 65 -9.506 5.975 -12.264 1.00 0.99 C ATOM 897 C LYS A 65 -8.812 6.919 -11.277 1.00 0.96 C ATOM 898 O LYS A 65 -7.619 7.186 -11.407 1.00 1.01 O ATOM 899 CB LYS A 65 -10.667 6.704 -12.927 1.00 1.02 C ATOM 900 CG LYS A 65 -11.255 5.888 -14.079 1.00 1.09 C ATOM 901 CD LYS A 65 -12.343 6.680 -14.811 1.00 1.15 C ATOM 902 CE LYS A 65 -11.796 7.927 -15.519 1.00 1.21 C ATOM 903 NZ LYS A 65 -10.828 7.572 -16.568 1.00 1.29 N ATOM 0 H LYS A 65 -10.999 4.753 -11.427 1.00 0.94 H new ATOM 0 HA LYS A 65 -8.762 5.678 -13.003 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.443 6.904 -12.188 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.326 7.670 -13.300 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -10.464 5.617 -14.778 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -11.673 4.958 -13.695 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -12.825 6.034 -15.544 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.110 6.980 -14.097 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -12.621 8.488 -15.959 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.319 8.581 -14.789 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -10.633 8.407 -17.157 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -9.944 7.244 -16.128 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -11.222 6.814 -17.161 1.00 1.29 H new ATOM 917 N VAL A 66 -9.545 7.302 -10.229 1.00 0.90 N ATOM 918 CA VAL A 66 -9.011 8.177 -9.189 1.00 0.88 C ATOM 919 C VAL A 66 -7.762 7.569 -8.531 1.00 0.88 C ATOM 920 O VAL A 66 -6.886 8.302 -8.071 1.00 0.91 O ATOM 921 CB VAL A 66 -10.070 8.499 -8.109 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.222 9.295 -8.709 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.589 7.229 -7.450 1.00 0.85 C ATOM 0 H VAL A 66 -10.513 7.017 -10.080 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.729 9.109 -9.680 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.589 9.105 -7.341 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -11.957 9.512 -7.934 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -10.842 10.230 -9.121 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.692 8.713 -9.502 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.332 7.488 -6.695 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -11.046 6.588 -8.204 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.761 6.700 -6.978 1.00 0.85 H new ATOM 933 N ILE A 67 -7.674 6.226 -8.489 1.00 0.88 N ATOM 934 CA ILE A 67 -6.504 5.565 -7.907 1.00 0.91 C ATOM 935 C ILE A 67 -5.360 5.536 -8.917 1.00 0.98 C ATOM 936 O ILE A 67 -4.194 5.492 -8.535 1.00 1.05 O ATOM 937 CB ILE A 67 -6.786 4.133 -7.397 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.196 3.210 -8.547 1.00 0.93 C ATOM 939 CG2 ILE A 67 -7.851 4.158 -6.309 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.258 1.744 -8.166 1.00 1.00 C ATOM 0 H ILE A 67 -8.389 5.592 -8.846 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.227 6.156 -7.034 1.00 0.91 H new ATOM 0 HB ILE A 67 -5.867 3.735 -6.967 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.173 3.520 -8.918 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.489 3.332 -9.368 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.039 3.143 -5.960 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.506 4.770 -5.476 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -8.772 4.579 -6.711 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -7.555 1.155 -9.034 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.277 1.415 -7.823 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -7.986 1.606 -7.367 1.00 1.00 H new ATOM 952 N GLN A 68 -5.697 5.539 -10.209 1.00 0.99 N ATOM 953 CA GLN A 68 -4.664 5.583 -11.258 1.00 1.08 C ATOM 954 C GLN A 68 -3.983 6.961 -11.285 1.00 1.06 C ATOM 955 O GLN A 68 -2.757 7.052 -11.326 1.00 1.09 O ATOM 956 CB GLN A 68 -5.293 5.285 -12.611 1.00 1.16 C ATOM 957 CG GLN A 68 -4.220 5.134 -13.682 1.00 1.27 C ATOM 958 CD GLN A 68 -4.858 4.808 -15.027 1.00 1.37 C ATOM 959 OE1 GLN A 68 -5.730 5.491 -15.544 1.00 1.41 O ATOM 960 NE2 GLN A 68 -4.368 3.744 -15.617 1.00 1.52 N ATOM 0 H GLN A 68 -6.656 5.512 -10.554 1.00 0.99 H new ATOM 0 HA GLN A 68 -3.908 4.829 -11.039 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -5.884 4.371 -12.550 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -5.977 6.089 -12.885 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -3.642 6.055 -13.760 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -3.524 4.344 -13.401 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -3.641 3.196 -15.158 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -4.714 3.465 -16.535 1.00 1.52 H new ATOM 969 N LYS A 69 -4.788 8.018 -11.164 1.00 1.05 N ATOM 970 CA LYS A 69 -4.282 9.393 -11.176 1.00 1.06 C ATOM 971 C LYS A 69 -3.308 9.677 -10.028 1.00 1.08 C ATOM 972 O LYS A 69 -2.363 10.447 -10.198 1.00 1.15 O ATOM 973 CB LYS A 69 -5.443 10.386 -11.109 1.00 1.03 C ATOM 974 CG LYS A 69 -6.006 10.760 -12.470 1.00 1.10 C ATOM 975 CD LYS A 69 -6.942 11.954 -12.372 1.00 1.19 C ATOM 976 CE LYS A 69 -7.305 12.494 -13.746 1.00 1.38 C ATOM 977 NZ LYS A 69 -8.122 13.735 -13.658 1.00 1.58 N ATOM 0 H LYS A 69 -5.800 7.948 -11.056 1.00 1.05 H new ATOM 0 HA LYS A 69 -3.735 9.514 -12.111 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -6.240 9.959 -10.501 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -5.107 11.291 -10.604 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -5.189 10.991 -13.153 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -6.542 9.909 -12.891 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -7.850 11.663 -11.843 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -6.469 12.741 -11.784 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -6.394 12.699 -14.308 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -7.857 11.735 -14.300 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -8.348 14.070 -14.616 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -9.004 13.534 -13.144 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -7.586 14.468 -13.152 1.00 1.58 H new ATOM 991 N ILE A 70 -3.533 9.066 -8.862 1.00 1.07 N ATOM 992 CA ILE A 70 -2.653 9.291 -7.710 1.00 1.12 C ATOM 993 C ILE A 70 -1.375 8.457 -7.803 1.00 1.25 C ATOM 994 O ILE A 70 -0.439 8.652 -7.026 1.00 1.37 O ATOM 995 CB ILE A 70 -3.359 9.009 -6.363 1.00 1.09 C ATOM 996 CG1 ILE A 70 -3.874 7.568 -6.304 1.00 1.09 C ATOM 997 CG2 ILE A 70 -4.495 9.998 -6.145 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.641 7.243 -5.037 1.00 1.19 C ATOM 0 H ILE A 70 -4.304 8.421 -8.690 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.389 10.348 -7.740 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.631 9.135 -5.562 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.519 7.387 -7.164 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -3.028 6.886 -6.390 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.983 9.788 -5.193 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -4.097 11.013 -6.132 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -5.220 9.903 -6.953 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -4.973 6.205 -5.069 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -3.994 7.391 -4.172 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.508 7.899 -4.958 1.00 1.19 H new ATOM 1122 N LEU B 8 7.354 20.138 16.027 1.00 0.80 N ATOM 1123 CA LEU B 8 7.887 20.698 14.765 1.00 0.77 C ATOM 1124 C LEU B 8 9.365 21.110 14.948 1.00 0.77 C ATOM 1125 O LEU B 8 9.702 22.228 15.331 1.00 0.79 O ATOM 1126 CB LEU B 8 7.003 21.878 14.321 1.00 0.78 C ATOM 1127 CG LEU B 8 7.325 22.474 12.935 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.082 23.181 12.400 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.439 23.527 12.968 1.00 0.77 C ATOM 0 HA LEU B 8 7.861 19.944 13.978 1.00 0.77 H new ATOM 0 HB2 LEU B 8 5.964 21.549 14.322 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.087 22.670 15.065 1.00 0.78 H new ATOM 0 HG LEU B 8 7.649 21.640 12.313 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.299 23.606 11.420 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.265 22.464 12.312 1.00 0.77 H new ATOM 0 HD13 LEU B 8 5.793 23.978 13.085 1.00 0.77 H new ATOM 0 HD21 LEU B 8 8.614 23.904 11.960 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.142 24.351 13.617 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.355 23.076 13.350 1.00 0.77 H new ATOM 1141 N ARG B 9 10.205 20.090 14.892 1.00 0.75 N ATOM 1142 CA ARG B 9 11.659 20.277 15.048 1.00 0.75 C ATOM 1143 C ARG B 9 12.436 19.553 13.948 1.00 0.72 C ATOM 1144 O ARG B 9 13.067 20.184 13.105 1.00 0.71 O ATOM 1145 CB ARG B 9 12.134 19.911 16.466 1.00 0.79 C ATOM 1146 CG ARG B 9 11.813 18.472 16.887 1.00 0.79 C ATOM 1147 CD ARG B 9 12.488 18.104 18.205 1.00 0.82 C ATOM 1148 NE ARG B 9 12.219 16.686 18.510 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.076 16.168 18.964 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.005 16.923 19.192 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.003 14.873 19.246 1.00 0.84 N ATOM 0 H ARG B 9 9.918 19.123 14.741 1.00 0.75 H new ATOM 0 HA ARG B 9 11.874 21.339 14.927 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.212 20.063 16.526 1.00 0.79 H new ATOM 0 HB3 ARG B 9 11.675 20.597 17.179 1.00 0.79 H new ATOM 0 HG2 ARG B 9 10.734 18.354 16.986 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.139 17.784 16.107 1.00 0.79 H new ATOM 0 HD2 ARG B 9 13.562 18.276 18.137 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.113 18.738 19.008 1.00 0.82 H new ATOM 0 HE ARG B 9 12.987 16.033 18.358 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.043 17.928 19.020 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.145 16.497 19.539 1.00 0.85 H new ATOM 0 HH21 ARG B 9 11.820 14.276 19.116 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.130 14.475 19.593 1.00 0.84 H new ATOM 1165 N GLU B 10 12.335 18.221 13.953 1.00 0.71 N ATOM 1166 CA GLU B 10 13.105 17.338 13.069 1.00 0.68 C ATOM 1167 C GLU B 10 12.343 16.039 12.814 1.00 0.66 C ATOM 1168 O GLU B 10 11.989 15.316 13.747 1.00 0.68 O ATOM 1169 CB GLU B 10 14.452 16.992 13.715 1.00 0.70 C ATOM 1170 CG GLU B 10 15.365 18.215 13.875 1.00 0.72 C ATOM 1171 CD GLU B 10 16.736 17.882 14.461 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.190 16.733 14.260 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.312 18.798 15.085 1.00 0.77 O ATOM 0 H GLU B 10 11.707 17.717 14.580 1.00 0.71 H new ATOM 0 HA GLU B 10 13.265 17.860 12.126 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.277 16.545 14.693 1.00 0.70 H new ATOM 0 HB3 GLU B 10 14.959 16.242 13.108 1.00 0.70 H new ATOM 0 HG2 GLU B 10 15.500 18.687 12.902 1.00 0.72 H new ATOM 0 HG3 GLU B 10 14.872 18.945 14.517 1.00 0.72 H new ATOM 1180 N LEU B 11 11.977 15.873 11.555 1.00 0.63 N ATOM 1181 CA LEU B 11 11.252 14.678 11.089 1.00 0.61 C ATOM 1182 C LEU B 11 11.990 14.039 9.912 1.00 0.58 C ATOM 1183 O LEU B 11 12.503 14.730 9.030 1.00 0.57 O ATOM 1184 CB LEU B 11 9.837 15.077 10.670 1.00 0.60 C ATOM 1185 CG LEU B 11 9.033 15.609 11.855 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.478 16.996 11.528 1.00 0.65 C ATOM 1187 CD2 LEU B 11 7.913 14.635 12.218 1.00 0.64 C ATOM 0 H LEU B 11 12.168 16.554 10.820 1.00 0.63 H new ATOM 0 HA LEU B 11 11.197 13.950 11.898 1.00 0.61 H new ATOM 0 HB2 LEU B 11 9.888 15.838 9.892 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.327 14.215 10.240 1.00 0.60 H new ATOM 0 HG LEU B 11 9.689 15.700 12.721 1.00 0.64 H new ATOM 0 HD11 LEU B 11 7.906 17.369 12.378 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.302 17.678 11.319 1.00 0.65 H new ATOM 0 HD13 LEU B 11 7.830 16.932 10.654 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.349 15.028 13.064 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.247 14.512 11.364 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.343 13.670 12.485 1.00 0.64 H new ATOM 1199 N ARG B 12 12.002 12.719 9.940 1.00 0.57 N ATOM 1200 CA ARG B 12 12.731 11.910 8.943 1.00 0.55 C ATOM 1201 C ARG B 12 11.715 11.282 7.995 1.00 0.52 C ATOM 1202 O ARG B 12 10.606 10.934 8.407 1.00 0.52 O ATOM 1203 CB ARG B 12 13.518 10.796 9.656 1.00 0.57 C ATOM 1204 CG ARG B 12 14.282 11.241 10.914 1.00 0.60 C ATOM 1205 CD ARG B 12 15.145 12.472 10.628 1.00 0.61 C ATOM 1206 NE ARG B 12 15.983 12.820 11.778 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.291 12.619 11.758 1.00 0.67 C ATOM 1208 NH1 ARG B 12 17.793 11.420 12.020 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.102 13.645 11.569 1.00 0.68 N ATOM 0 H ARG B 12 11.514 12.167 10.645 1.00 0.57 H new ATOM 0 HA ARG B 12 13.427 12.540 8.389 1.00 0.55 H new ATOM 0 HB2 ARG B 12 12.824 10.002 9.933 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.229 10.366 8.951 1.00 0.57 H new ATOM 0 HG2 ARG B 12 13.575 11.466 11.712 1.00 0.60 H new ATOM 0 HG3 ARG B 12 14.912 10.425 11.268 1.00 0.60 H new ATOM 0 HD2 ARG B 12 15.777 12.281 9.761 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.504 13.316 10.375 1.00 0.61 H new ATOM 0 HE ARG B 12 15.551 13.224 12.609 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.170 10.643 12.239 1.00 0.68 H new ATOM 0 HH12 ARG B 12 18.802 11.275 12.002 1.00 0.68 H new ATOM 0 HH21 ARG B 12 17.718 14.581 11.440 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.112 13.501 11.552 1.00 0.68 H new ATOM 1223 N CYS B 13 12.109 11.129 6.734 1.00 0.50 N ATOM 1224 CA CYS B 13 11.289 10.400 5.750 1.00 0.48 C ATOM 1225 C CYS B 13 10.968 8.991 6.278 1.00 0.48 C ATOM 1226 O CYS B 13 11.735 8.420 7.053 1.00 0.49 O ATOM 1227 CB CYS B 13 12.057 10.292 4.434 1.00 0.47 C ATOM 1228 SG CYS B 13 12.098 11.835 3.453 1.00 0.48 S ATOM 0 H CYS B 13 12.986 11.495 6.363 1.00 0.50 H new ATOM 0 HA CYS B 13 10.356 10.939 5.586 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.081 9.986 4.649 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.609 9.504 3.830 1.00 0.47 H new ATOM 1233 N VAL B 14 9.826 8.459 5.854 1.00 0.46 N ATOM 1234 CA VAL B 14 9.414 7.087 6.243 1.00 0.46 C ATOM 1235 C VAL B 14 10.446 6.032 5.779 1.00 0.46 C ATOM 1236 O VAL B 14 10.634 4.994 6.405 1.00 0.47 O ATOM 1237 CB VAL B 14 7.967 6.776 5.789 1.00 0.45 C ATOM 1238 CG1 VAL B 14 7.752 6.727 4.274 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.447 5.473 6.400 1.00 0.46 C ATOM 0 H VAL B 14 9.164 8.941 5.245 1.00 0.46 H new ATOM 0 HA VAL B 14 9.401 7.034 7.332 1.00 0.46 H new ATOM 0 HB VAL B 14 7.399 7.629 6.160 1.00 0.45 H new ATOM 0 HG11 VAL B 14 6.707 6.503 4.062 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.012 7.692 3.838 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.384 5.952 3.842 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.429 5.291 6.057 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.087 4.646 6.092 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.454 5.552 7.487 1.00 0.46 H new ATOM 1249 N CYS B 15 11.088 6.344 4.656 1.00 0.45 N ATOM 1250 CA CYS B 15 12.125 5.516 4.029 1.00 0.45 C ATOM 1251 C CYS B 15 13.456 6.260 3.949 1.00 0.47 C ATOM 1252 O CYS B 15 13.606 7.206 3.175 1.00 0.47 O ATOM 1253 CB CYS B 15 11.711 5.155 2.607 1.00 0.43 C ATOM 1254 SG CYS B 15 10.393 3.907 2.555 1.00 0.42 S ATOM 0 H CYS B 15 10.899 7.203 4.140 1.00 0.45 H new ATOM 0 HA CYS B 15 12.242 4.622 4.641 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.374 6.055 2.092 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.580 4.783 2.064 1.00 0.43 H new ATOM 1259 N LEU B 16 14.360 5.871 4.839 1.00 0.49 N ATOM 1260 CA LEU B 16 15.734 6.412 4.829 1.00 0.52 C ATOM 1261 C LEU B 16 16.666 5.718 3.822 1.00 0.54 C ATOM 1262 O LEU B 16 17.539 6.353 3.222 1.00 0.55 O ATOM 1263 CB LEU B 16 16.333 6.379 6.239 1.00 0.55 C ATOM 1264 CG LEU B 16 15.602 7.314 7.214 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.209 7.171 8.612 1.00 0.58 C ATOM 1266 CD2 LEU B 16 15.668 8.782 6.767 1.00 0.54 C ATOM 0 H LEU B 16 14.179 5.189 5.576 1.00 0.49 H new ATOM 0 HA LEU B 16 15.652 7.446 4.494 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.295 5.359 6.622 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.384 6.662 6.190 1.00 0.55 H new ATOM 0 HG LEU B 16 14.552 7.023 7.228 1.00 0.55 H new ATOM 0 HD11 LEU B 16 15.690 7.835 9.304 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.104 6.140 8.951 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.266 7.436 8.579 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.138 9.406 7.487 1.00 0.54 H new ATOM 0 HD22 LEU B 16 16.709 9.099 6.710 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.204 8.885 5.786 1.00 0.54 H new ATOM 1278 N GLN B 17 16.441 4.437 3.627 1.00 0.53 N ATOM 1279 CA GLN B 17 17.221 3.576 2.730 1.00 0.55 C ATOM 1280 C GLN B 17 16.358 3.150 1.528 1.00 0.53 C ATOM 1281 O GLN B 17 15.183 3.494 1.418 1.00 0.50 O ATOM 1282 CB GLN B 17 17.771 2.356 3.495 1.00 0.58 C ATOM 1283 CG GLN B 17 16.729 1.316 3.943 1.00 0.56 C ATOM 1284 CD GLN B 17 15.790 1.770 5.071 1.00 0.55 C ATOM 1285 OE1 GLN B 17 15.883 2.813 5.696 1.00 0.55 O ATOM 1286 NE2 GLN B 17 14.832 0.936 5.382 1.00 0.54 N ATOM 0 H GLN B 17 15.687 3.938 4.099 1.00 0.53 H new ATOM 0 HA GLN B 17 18.076 4.136 2.350 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.505 1.857 2.863 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.301 2.714 4.378 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.125 1.037 3.080 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.254 0.418 4.269 1.00 0.56 H new ATOM 0 HE21 GLN B 17 14.735 0.058 4.873 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.182 1.164 6.134 1.00 0.54 H new ATOM 1295 N THR B 18 16.980 2.349 0.683 1.00 0.55 N ATOM 1296 CA THR B 18 16.343 1.792 -0.522 1.00 0.54 C ATOM 1297 C THR B 18 16.522 0.265 -0.596 1.00 0.55 C ATOM 1298 O THR B 18 17.078 -0.364 0.308 1.00 0.57 O ATOM 1299 CB THR B 18 16.913 2.533 -1.743 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.197 2.115 -2.902 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.422 2.330 -1.949 1.00 0.60 C ATOM 0 H THR B 18 17.950 2.057 0.804 1.00 0.55 H new ATOM 0 HA THR B 18 15.264 1.947 -0.494 1.00 0.54 H new ATOM 0 HB THR B 18 16.785 3.600 -1.563 1.00 0.56 H new ATOM 0 HG1 THR B 18 15.239 2.270 -2.768 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.747 2.884 -2.830 1.00 0.60 H new ATOM 0 HG22 THR B 18 18.961 2.692 -1.073 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.630 1.270 -2.091 1.00 0.60 H new ATOM 1309 N THR B 19 16.132 -0.307 -1.730 1.00 0.55 N ATOM 1310 CA THR B 19 16.203 -1.744 -2.037 1.00 0.57 C ATOM 1311 C THR B 19 16.200 -1.962 -3.562 1.00 0.58 C ATOM 1312 O THR B 19 15.664 -1.160 -4.335 1.00 0.57 O ATOM 1313 CB THR B 19 15.021 -2.481 -1.372 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.056 -2.268 0.043 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.019 -3.992 -1.611 1.00 0.56 C ATOM 0 H THR B 19 15.739 0.236 -2.499 1.00 0.55 H new ATOM 0 HA THR B 19 17.132 -2.151 -1.638 1.00 0.57 H new ATOM 0 HB THR B 19 14.122 -2.069 -1.830 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.518 -1.481 0.269 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.158 -4.438 -1.112 1.00 0.56 H new ATOM 0 HG22 THR B 19 14.962 -4.191 -2.681 1.00 0.56 H new ATOM 0 HG23 THR B 19 15.935 -4.425 -1.210 1.00 0.56 H new ATOM 1323 N GLN B 20 16.817 -3.070 -3.943 1.00 0.61 N ATOM 1324 CA GLN B 20 16.916 -3.557 -5.321 1.00 0.64 C ATOM 1325 C GLN B 20 16.469 -5.016 -5.449 1.00 0.64 C ATOM 1326 O GLN B 20 17.248 -5.958 -5.598 1.00 0.68 O ATOM 1327 CB GLN B 20 18.326 -3.320 -5.898 1.00 0.68 C ATOM 1328 CG GLN B 20 19.493 -4.075 -5.252 1.00 0.72 C ATOM 1329 CD GLN B 20 19.792 -3.709 -3.796 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.379 -2.720 -3.211 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.608 -4.520 -3.173 1.00 0.73 N ATOM 0 H GLN B 20 17.284 -3.684 -3.276 1.00 0.61 H new ATOM 0 HA GLN B 20 16.222 -2.973 -5.925 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.304 -3.578 -6.957 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.540 -2.253 -5.835 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.284 -5.144 -5.304 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.390 -3.896 -5.844 1.00 0.72 H new ATOM 0 HE21 GLN B 20 20.962 -5.351 -3.647 1.00 0.73 H new ATOM 0 HE22 GLN B 20 20.890 -4.322 -2.213 1.00 0.73 H new ATOM 1340 N GLY B 21 15.149 -5.175 -5.331 1.00 0.61 N ATOM 1341 CA GLY B 21 14.556 -6.490 -5.549 1.00 0.61 C ATOM 1342 C GLY B 21 14.304 -6.737 -7.052 1.00 0.63 C ATOM 1343 O GLY B 21 14.494 -5.821 -7.843 1.00 0.64 O ATOM 0 H GLY B 21 14.490 -4.433 -5.093 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.217 -7.262 -5.155 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.617 -6.565 -5.001 1.00 0.61 H new ATOM 1347 N VAL B 22 13.720 -7.843 -7.499 1.00 0.64 N ATOM 1348 CA VAL B 22 13.029 -9.020 -6.889 1.00 0.63 C ATOM 1349 C VAL B 22 11.793 -9.302 -7.772 1.00 0.62 C ATOM 1350 O VAL B 22 11.594 -8.654 -8.794 1.00 0.63 O ATOM 1351 CB VAL B 22 12.638 -8.890 -5.388 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.485 -7.912 -5.097 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.453 -10.245 -4.693 1.00 0.61 C ATOM 0 H VAL B 22 13.712 -7.974 -8.510 1.00 0.64 H new ATOM 0 HA VAL B 22 13.738 -9.848 -6.871 1.00 0.63 H new ATOM 0 HB VAL B 22 13.511 -8.422 -4.933 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.287 -7.891 -4.025 1.00 0.56 H new ATOM 0 HG12 VAL B 22 11.761 -6.913 -5.434 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.589 -8.238 -5.625 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.181 -10.085 -3.650 1.00 0.61 H new ATOM 0 HG22 VAL B 22 11.662 -10.805 -5.192 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.384 -10.810 -4.743 1.00 0.61 H new ATOM 1363 N HIS B 23 10.931 -10.214 -7.338 1.00 0.61 N ATOM 1364 CA HIS B 23 9.671 -10.491 -8.032 1.00 0.61 C ATOM 1365 C HIS B 23 8.478 -10.163 -7.110 1.00 0.57 C ATOM 1366 O HIS B 23 8.537 -10.455 -5.908 1.00 0.56 O ATOM 1367 CB HIS B 23 9.665 -11.955 -8.485 1.00 0.64 C ATOM 1368 CG HIS B 23 8.519 -12.243 -9.460 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.249 -12.428 -9.113 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.601 -12.388 -10.779 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.546 -12.704 -10.209 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.386 -12.678 -11.238 1.00 0.68 N ATOM 0 H HIS B 23 11.080 -10.780 -6.503 1.00 0.61 H new ATOM 0 HA HIS B 23 9.576 -9.860 -8.916 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.616 -12.192 -8.962 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.574 -12.605 -7.615 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.497 -12.288 -11.374 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.487 -12.911 -10.254 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.141 -12.851 -12.213 1.00 0.68 H new ATOM 1380 N PRO B 24 7.392 -9.633 -7.698 1.00 0.57 N ATOM 1381 CA PRO B 24 6.109 -9.365 -7.013 1.00 0.55 C ATOM 1382 C PRO B 24 5.581 -10.578 -6.250 1.00 0.55 C ATOM 1383 O PRO B 24 4.785 -10.409 -5.338 1.00 0.53 O ATOM 1384 CB PRO B 24 5.105 -9.107 -8.128 1.00 0.56 C ATOM 1385 CG PRO B 24 5.952 -8.509 -9.239 1.00 0.58 C ATOM 1386 CD PRO B 24 7.293 -9.219 -9.112 1.00 0.59 C ATOM 0 HA PRO B 24 6.249 -8.547 -6.307 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.616 -10.027 -8.448 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.319 -8.422 -7.810 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.503 -8.679 -10.217 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.060 -7.431 -9.121 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.344 -10.081 -9.777 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.114 -8.556 -9.385 1.00 0.59 H new ATOM 1394 N LYS B 25 6.027 -11.774 -6.631 1.00 0.57 N ATOM 1395 CA LYS B 25 5.635 -13.047 -6.008 1.00 0.58 C ATOM 1396 C LYS B 25 5.807 -13.037 -4.480 1.00 0.56 C ATOM 1397 O LYS B 25 5.048 -13.678 -3.762 1.00 0.57 O ATOM 1398 CB LYS B 25 6.483 -14.165 -6.610 1.00 0.61 C ATOM 1399 CG LYS B 25 5.641 -15.426 -6.791 1.00 0.62 C ATOM 1400 CD LYS B 25 6.427 -16.580 -7.416 1.00 0.66 C ATOM 1401 CE LYS B 25 7.468 -17.153 -6.454 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.339 -18.612 -6.392 1.00 0.69 N ATOM 0 H LYS B 25 6.687 -11.893 -7.400 1.00 0.57 H new ATOM 0 HA LYS B 25 4.575 -13.206 -6.207 1.00 0.58 H new ATOM 0 HB2 LYS B 25 6.887 -13.848 -7.571 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.333 -14.376 -5.961 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.253 -15.740 -5.822 1.00 0.62 H new ATOM 0 HG3 LYS B 25 4.781 -15.196 -7.420 1.00 0.62 H new ATOM 0 HD2 LYS B 25 5.737 -17.369 -7.714 1.00 0.66 H new ATOM 0 HD3 LYS B 25 6.924 -16.232 -8.322 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.470 -16.881 -6.785 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.333 -16.725 -5.461 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.049 -18.996 -5.736 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.387 -18.862 -6.056 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 7.489 -19.014 -7.339 1.00 0.69 H new ATOM 1416 N MET B 26 6.768 -12.254 -3.992 1.00 0.55 N ATOM 1417 CA MET B 26 7.024 -12.154 -2.557 1.00 0.55 C ATOM 1418 C MET B 26 6.179 -11.048 -1.908 1.00 0.52 C ATOM 1419 O MET B 26 5.960 -11.057 -0.697 1.00 0.52 O ATOM 1420 CB MET B 26 8.511 -11.891 -2.303 1.00 0.57 C ATOM 1421 CG MET B 26 9.407 -13.106 -2.508 1.00 0.64 C ATOM 1422 SD MET B 26 9.074 -14.423 -1.327 1.00 0.75 S ATOM 1423 CE MET B 26 8.502 -15.713 -2.430 1.00 0.95 C ATOM 0 H MET B 26 7.382 -11.680 -4.570 1.00 0.55 H new ATOM 0 HA MET B 26 6.741 -13.104 -2.103 1.00 0.55 H new ATOM 0 HB2 MET B 26 8.845 -11.092 -2.965 1.00 0.57 H new ATOM 0 HB3 MET B 26 8.635 -11.531 -1.282 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.269 -13.487 -3.520 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.450 -12.802 -2.422 1.00 0.64 H new ATOM 0 HE1 MET B 26 8.253 -16.603 -1.851 1.00 0.95 H new ATOM 0 HE2 MET B 26 7.617 -15.369 -2.965 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.287 -15.954 -3.146 1.00 0.95 H new ATOM 1433 N ILE B 27 5.708 -10.103 -2.722 1.00 0.50 N ATOM 1434 CA ILE B 27 4.898 -8.978 -2.242 1.00 0.48 C ATOM 1435 C ILE B 27 3.457 -9.413 -1.937 1.00 0.49 C ATOM 1436 O ILE B 27 2.893 -10.258 -2.633 1.00 0.56 O ATOM 1437 CB ILE B 27 4.867 -7.835 -3.290 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.282 -7.466 -3.743 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.162 -6.602 -2.744 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.153 -6.904 -2.640 1.00 0.58 C ATOM 0 H ILE B 27 5.875 -10.093 -3.728 1.00 0.50 H new ATOM 0 HA ILE B 27 5.362 -8.620 -1.323 1.00 0.48 H new ATOM 0 HB ILE B 27 4.307 -8.201 -4.150 1.00 0.52 H new ATOM 0 HG12 ILE B 27 6.763 -8.352 -4.156 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.216 -6.735 -4.548 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.157 -5.820 -3.503 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.136 -6.857 -2.479 1.00 0.53 H new ATOM 0 HG23 ILE B 27 4.687 -6.245 -1.858 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.139 -6.667 -3.040 1.00 0.58 H new ATOM 0 HD12 ILE B 27 6.696 -5.998 -2.241 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.252 -7.641 -1.843 1.00 0.58 H new ATOM 1452 N SER B 28 2.866 -8.817 -0.896 1.00 0.47 N ATOM 1453 CA SER B 28 1.496 -9.131 -0.492 1.00 0.54 C ATOM 1454 C SER B 28 0.799 -7.890 0.078 1.00 0.55 C ATOM 1455 O SER B 28 -0.287 -7.985 0.652 1.00 0.70 O ATOM 1456 CB SER B 28 1.493 -10.256 0.551 1.00 0.61 C ATOM 1457 OG SER B 28 1.975 -11.469 -0.001 1.00 0.68 O ATOM 0 H SER B 28 3.320 -8.111 -0.317 1.00 0.47 H new ATOM 0 HA SER B 28 0.949 -9.462 -1.375 1.00 0.54 H new ATOM 0 HB2 SER B 28 2.112 -9.969 1.401 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.481 -10.402 0.929 1.00 0.61 H new ATOM 0 HG SER B 28 1.349 -12.194 0.205 1.00 0.68 H new ATOM 1463 N ASN B 29 1.435 -6.727 -0.088 1.00 0.49 N ATOM 1464 CA ASN B 29 0.894 -5.459 0.406 1.00 0.50 C ATOM 1465 C ASN B 29 1.657 -4.282 -0.205 1.00 0.49 C ATOM 1466 O ASN B 29 2.876 -4.333 -0.348 1.00 0.49 O ATOM 1467 CB ASN B 29 0.988 -5.408 1.940 1.00 0.54 C ATOM 1468 CG ASN B 29 0.462 -4.111 2.532 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.737 -3.958 2.752 1.00 0.67 O ATOM 1470 ND2 ASN B 29 1.365 -3.175 2.807 1.00 0.83 N ATOM 0 H ASN B 29 2.332 -6.638 -0.565 1.00 0.49 H new ATOM 0 HA ASN B 29 -0.153 -5.388 0.112 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.428 -6.244 2.359 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.028 -5.540 2.238 1.00 0.54 H new ATOM 0 HD21 ASN B 29 1.072 -2.288 3.217 1.00 0.83 H new ATOM 0 HD22 ASN B 29 2.351 -3.344 2.608 1.00 0.83 H new ATOM 1477 N LEU B 30 0.929 -3.227 -0.564 1.00 0.53 N ATOM 1478 CA LEU B 30 1.535 -2.035 -1.152 1.00 0.55 C ATOM 1479 C LEU B 30 1.040 -0.775 -0.443 1.00 0.56 C ATOM 1480 O LEU B 30 -0.096 -0.719 0.006 1.00 0.75 O ATOM 1481 CB LEU B 30 1.216 -1.960 -2.651 1.00 0.60 C ATOM 1482 CG LEU B 30 1.696 -0.692 -3.364 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.214 -0.685 -3.478 1.00 0.74 C ATOM 1484 CD2 LEU B 30 1.058 -0.577 -4.740 1.00 0.75 C ATOM 0 H LEU B 30 -0.084 -3.174 -0.458 1.00 0.53 H new ATOM 0 HA LEU B 30 2.616 -2.101 -1.026 1.00 0.55 H new ATOM 0 HB2 LEU B 30 1.662 -2.824 -3.143 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.137 -2.042 -2.780 1.00 0.60 H new ATOM 0 HG LEU B 30 1.391 0.170 -2.771 1.00 0.69 H new ATOM 0 HD11 LEU B 30 3.536 0.223 -3.987 1.00 0.74 H new ATOM 0 HD12 LEU B 30 3.654 -0.718 -2.481 1.00 0.74 H new ATOM 0 HD13 LEU B 30 3.540 -1.555 -4.047 1.00 0.74 H new ATOM 0 HD21 LEU B 30 1.412 0.330 -5.230 1.00 0.75 H new ATOM 0 HD22 LEU B 30 1.331 -1.444 -5.341 1.00 0.75 H new ATOM 0 HD23 LEU B 30 -0.026 -0.534 -4.636 1.00 0.75 H new ATOM 1496 N GLN B 31 1.912 0.223 -0.326 1.00 0.50 N ATOM 1497 CA GLN B 31 1.563 1.487 0.319 1.00 0.50 C ATOM 1498 C GLN B 31 2.193 2.661 -0.430 1.00 0.51 C ATOM 1499 O GLN B 31 3.403 2.699 -0.638 1.00 0.60 O ATOM 1500 CB GLN B 31 2.019 1.497 1.782 1.00 0.53 C ATOM 1501 CG GLN B 31 1.256 0.532 2.682 1.00 0.57 C ATOM 1502 CD GLN B 31 1.692 0.614 4.133 1.00 0.75 C ATOM 1503 OE1 GLN B 31 2.578 -0.120 4.568 1.00 1.08 O ATOM 1504 NE2 GLN B 31 1.064 1.506 4.892 1.00 1.01 N ATOM 0 H GLN B 31 2.871 0.181 -0.671 1.00 0.50 H new ATOM 0 HA GLN B 31 0.478 1.590 0.292 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.080 1.251 1.822 1.00 0.53 H new ATOM 0 HB3 GLN B 31 1.911 2.507 2.177 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.189 0.746 2.615 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.400 -0.486 2.321 1.00 0.57 H new ATOM 0 HE21 GLN B 31 0.335 2.095 4.490 1.00 1.01 H new ATOM 0 HE22 GLN B 31 1.311 1.602 5.877 1.00 1.01 H new ATOM 1513 N VAL B 32 1.359 3.612 -0.837 1.00 0.49 N ATOM 1514 CA VAL B 32 1.822 4.789 -1.562 1.00 0.51 C ATOM 1515 C VAL B 32 1.753 6.032 -0.679 1.00 0.49 C ATOM 1516 O VAL B 32 0.698 6.370 -0.146 1.00 0.61 O ATOM 1517 CB VAL B 32 0.992 5.031 -2.842 1.00 0.56 C ATOM 1518 CG1 VAL B 32 1.631 6.105 -3.711 1.00 0.61 C ATOM 1519 CG2 VAL B 32 0.827 3.738 -3.627 1.00 0.59 C ATOM 0 H VAL B 32 0.352 3.590 -0.675 1.00 0.49 H new ATOM 0 HA VAL B 32 2.857 4.601 -1.846 1.00 0.51 H new ATOM 0 HB VAL B 32 0.004 5.381 -2.542 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.027 6.256 -4.606 1.00 0.61 H new ATOM 0 HG12 VAL B 32 1.690 7.038 -3.151 1.00 0.61 H new ATOM 0 HG13 VAL B 32 2.634 5.791 -3.999 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.239 3.930 -4.525 1.00 0.59 H new ATOM 0 HG22 VAL B 32 1.808 3.356 -3.910 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.315 3.000 -3.009 1.00 0.59 H new ATOM 1529 N PHE B 33 2.887 6.705 -0.532 1.00 0.48 N ATOM 1530 CA PHE B 33 2.979 7.909 0.287 1.00 0.48 C ATOM 1531 C PHE B 33 3.290 9.124 -0.583 1.00 0.50 C ATOM 1532 O PHE B 33 4.012 9.016 -1.574 1.00 0.56 O ATOM 1533 CB PHE B 33 4.082 7.750 1.342 1.00 0.53 C ATOM 1534 CG PHE B 33 3.716 6.866 2.501 1.00 0.57 C ATOM 1535 CD1 PHE B 33 3.693 5.486 2.367 1.00 0.65 C ATOM 1536 CD2 PHE B 33 3.403 7.421 3.733 1.00 0.70 C ATOM 1537 CE1 PHE B 33 3.363 4.678 3.438 1.00 0.78 C ATOM 1538 CE2 PHE B 33 3.071 6.615 4.807 1.00 0.85 C ATOM 1539 CZ PHE B 33 3.052 5.243 4.659 1.00 0.86 C ATOM 0 H PHE B 33 3.765 6.434 -0.974 1.00 0.48 H new ATOM 0 HA PHE B 33 2.020 8.057 0.782 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.972 7.345 0.860 1.00 0.53 H new ATOM 0 HB3 PHE B 33 4.347 8.736 1.723 1.00 0.53 H new ATOM 0 HD1 PHE B 33 3.936 5.038 1.415 1.00 0.65 H new ATOM 0 HD2 PHE B 33 3.419 8.494 3.855 1.00 0.70 H new ATOM 0 HE1 PHE B 33 3.348 3.605 3.320 1.00 0.78 H new ATOM 0 HE2 PHE B 33 2.827 7.059 5.761 1.00 0.85 H new ATOM 0 HZ PHE B 33 2.794 4.612 5.497 1.00 0.86 H new ATOM 1549 N ALA B 34 2.738 10.279 -0.217 1.00 0.50 N ATOM 1550 CA ALA B 34 2.985 11.508 -0.965 1.00 0.55 C ATOM 1551 C ALA B 34 3.810 12.496 -0.140 1.00 0.54 C ATOM 1552 O ALA B 34 4.472 12.111 0.828 1.00 0.58 O ATOM 1553 CB ALA B 34 1.671 12.140 -1.399 1.00 0.61 C ATOM 0 H ALA B 34 2.121 10.389 0.588 1.00 0.50 H new ATOM 0 HA ALA B 34 3.558 11.253 -1.856 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.874 13.055 -1.955 1.00 0.61 H new ATOM 0 HB2 ALA B 34 1.124 11.443 -2.034 1.00 0.61 H new ATOM 0 HB3 ALA B 34 1.072 12.375 -0.519 1.00 0.61 H new ATOM 1559 N ILE B 35 3.771 13.767 -0.534 1.00 0.60 N ATOM 1560 CA ILE B 35 4.510 14.818 0.162 1.00 0.63 C ATOM 1561 C ILE B 35 3.878 15.127 1.521 1.00 0.59 C ATOM 1562 O ILE B 35 2.719 15.539 1.598 1.00 0.63 O ATOM 1563 CB ILE B 35 4.563 16.107 -0.688 1.00 0.75 C ATOM 1564 CG1 ILE B 35 5.201 15.819 -2.053 1.00 0.90 C ATOM 1565 CG2 ILE B 35 5.331 17.204 0.039 1.00 0.77 C ATOM 1566 CD1 ILE B 35 5.077 16.964 -3.038 1.00 1.10 C ATOM 0 H ILE B 35 3.233 14.095 -1.336 1.00 0.60 H new ATOM 0 HA ILE B 35 5.525 14.454 0.321 1.00 0.63 H new ATOM 0 HB ILE B 35 3.542 16.455 -0.846 1.00 0.75 H new ATOM 0 HG12 ILE B 35 6.256 15.588 -1.909 1.00 0.90 H new ATOM 0 HG13 ILE B 35 4.736 14.931 -2.481 1.00 0.90 H new ATOM 0 HG21 ILE B 35 5.355 18.102 -0.579 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.838 17.428 0.985 1.00 0.77 H new ATOM 0 HG23 ILE B 35 6.350 16.868 0.231 1.00 0.77 H new ATOM 0 HD11 ILE B 35 5.551 16.687 -3.980 1.00 1.10 H new ATOM 0 HD12 ILE B 35 4.023 17.181 -3.212 1.00 1.10 H new ATOM 0 HD13 ILE B 35 5.567 17.848 -2.631 1.00 1.10 H new ATOM 1578 N GLY B 36 4.645 14.917 2.587 1.00 0.58 N ATOM 1579 CA GLY B 36 4.148 15.175 3.926 1.00 0.59 C ATOM 1580 C GLY B 36 5.043 16.120 4.710 1.00 0.63 C ATOM 1581 O GLY B 36 5.937 16.745 4.141 1.00 0.63 O ATOM 0 H GLY B 36 5.604 14.572 2.547 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.146 15.599 3.862 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.061 14.232 4.465 1.00 0.59 H new ATOM 1585 N PRO B 37 4.816 16.244 6.033 1.00 0.67 N ATOM 1586 CA PRO B 37 5.606 17.119 6.907 1.00 0.73 C ATOM 1587 C PRO B 37 6.970 16.527 7.267 1.00 0.71 C ATOM 1588 O PRO B 37 7.813 17.206 7.853 1.00 0.77 O ATOM 1589 CB PRO B 37 4.737 17.248 8.172 1.00 0.79 C ATOM 1590 CG PRO B 37 3.456 16.539 7.875 1.00 0.77 C ATOM 1591 CD PRO B 37 3.763 15.556 6.785 1.00 0.69 C ATOM 0 HA PRO B 37 5.829 18.069 6.420 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.236 16.804 9.033 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.555 18.295 8.413 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.078 16.031 8.762 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.686 17.243 7.559 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.105 14.601 7.183 1.00 0.69 H new ATOM 0 HD3 PRO B 37 2.890 15.349 6.166 1.00 0.69 H new ATOM 1599 N GLN B 38 7.179 15.260 6.916 1.00 0.65 N ATOM 1600 CA GLN B 38 8.447 14.579 7.218 1.00 0.65 C ATOM 1601 C GLN B 38 9.288 14.290 5.964 1.00 0.61 C ATOM 1602 O GLN B 38 10.485 14.029 6.056 1.00 0.63 O ATOM 1603 CB GLN B 38 8.146 13.282 7.983 1.00 0.65 C ATOM 1604 CG GLN B 38 7.324 12.263 7.188 1.00 0.59 C ATOM 1605 CD GLN B 38 7.073 11.012 8.026 1.00 0.63 C ATOM 1606 OE1 GLN B 38 6.440 11.033 9.066 1.00 0.71 O ATOM 1607 NE2 GLN B 38 7.529 9.890 7.526 1.00 0.61 N ATOM 0 H GLN B 38 6.495 14.683 6.426 1.00 0.65 H new ATOM 0 HA GLN B 38 9.048 15.249 7.833 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.088 12.821 8.279 1.00 0.65 H new ATOM 0 HB3 GLN B 38 7.610 13.529 8.899 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.374 12.706 6.890 1.00 0.59 H new ATOM 0 HG3 GLN B 38 7.852 11.995 6.273 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.057 9.898 6.653 1.00 0.61 H new ATOM 0 HE22 GLN B 38 7.356 9.009 8.010 1.00 0.61 H new ATOM 1616 N CYS B 39 8.633 14.269 4.808 1.00 0.56 N ATOM 1617 CA CYS B 39 9.308 13.960 3.553 1.00 0.54 C ATOM 1618 C CYS B 39 8.754 14.798 2.408 1.00 0.59 C ATOM 1619 O CYS B 39 7.542 14.965 2.279 1.00 0.67 O ATOM 1620 CB CYS B 39 9.131 12.467 3.240 1.00 0.48 C ATOM 1621 SG CYS B 39 10.468 11.729 2.245 1.00 0.47 S ATOM 0 H CYS B 39 7.636 14.462 4.714 1.00 0.56 H new ATOM 0 HA CYS B 39 10.367 14.196 3.660 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.053 11.920 4.180 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.187 12.331 2.712 1.00 0.48 H new ATOM 1626 N SER B 40 9.647 15.319 1.574 1.00 0.64 N ATOM 1627 CA SER B 40 9.246 16.136 0.434 1.00 0.73 C ATOM 1628 C SER B 40 9.287 15.317 -0.857 1.00 0.72 C ATOM 1629 O SER B 40 9.191 15.859 -1.958 1.00 1.00 O ATOM 1630 CB SER B 40 10.162 17.359 0.316 1.00 0.87 C ATOM 1631 OG SER B 40 9.622 18.325 -0.570 1.00 1.01 O ATOM 0 H SER B 40 10.655 15.190 1.666 1.00 0.64 H new ATOM 0 HA SER B 40 8.222 16.475 0.593 1.00 0.73 H new ATOM 0 HB2 SER B 40 10.305 17.805 1.300 1.00 0.87 H new ATOM 0 HB3 SER B 40 11.145 17.047 -0.038 1.00 0.87 H new ATOM 0 HG SER B 40 9.303 17.881 -1.383 1.00 1.01 H new ATOM 1637 N LYS B 41 9.423 14.000 -0.706 1.00 0.66 N ATOM 1638 CA LYS B 41 9.486 13.091 -1.843 1.00 0.64 C ATOM 1639 C LYS B 41 8.544 11.907 -1.642 1.00 0.61 C ATOM 1640 O LYS B 41 8.333 11.457 -0.515 1.00 0.61 O ATOM 1641 CB LYS B 41 10.923 12.588 -2.023 1.00 0.64 C ATOM 1642 CG LYS B 41 11.098 11.614 -3.178 1.00 0.71 C ATOM 1643 CD LYS B 41 12.435 10.895 -3.100 1.00 0.81 C ATOM 1644 CE LYS B 41 12.554 9.816 -4.164 1.00 0.97 C ATOM 1645 NZ LYS B 41 13.816 9.036 -4.027 1.00 1.16 N ATOM 0 H LYS B 41 9.492 13.539 0.201 1.00 0.66 H new ATOM 0 HA LYS B 41 9.174 13.631 -2.737 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.579 13.444 -2.180 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.246 12.104 -1.101 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.289 10.883 -3.165 1.00 0.71 H new ATOM 0 HG3 LYS B 41 11.027 12.152 -4.123 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.244 11.616 -3.220 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.551 10.448 -2.113 1.00 0.81 H new ATOM 0 HE2 LYS B 41 11.701 9.141 -4.093 1.00 0.97 H new ATOM 0 HE3 LYS B 41 12.517 10.275 -5.152 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 13.724 8.134 -4.536 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 14.606 9.581 -4.428 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.001 8.848 -3.021 1.00 1.16 H new ATOM 1659 N VAL B 42 7.977 11.410 -2.740 1.00 0.61 N ATOM 1660 CA VAL B 42 7.074 10.268 -2.681 1.00 0.62 C ATOM 1661 C VAL B 42 7.861 8.961 -2.578 1.00 0.60 C ATOM 1662 O VAL B 42 8.836 8.747 -3.303 1.00 0.68 O ATOM 1663 CB VAL B 42 6.134 10.215 -3.907 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.225 11.432 -3.933 1.00 0.72 C ATOM 1665 CG2 VAL B 42 6.926 10.112 -5.203 1.00 0.78 C ATOM 0 H VAL B 42 8.128 11.781 -3.678 1.00 0.61 H new ATOM 0 HA VAL B 42 6.461 10.391 -1.788 1.00 0.62 H new ATOM 0 HB VAL B 42 5.517 9.321 -3.819 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.570 11.378 -4.803 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.622 11.455 -3.025 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.830 12.337 -3.990 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.238 10.077 -6.048 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.577 10.981 -5.301 1.00 0.78 H new ATOM 0 HG23 VAL B 42 7.530 9.205 -5.189 1.00 0.78 H new ATOM 1675 N GLU B 43 7.446 8.098 -1.656 1.00 0.56 N ATOM 1676 CA GLU B 43 8.118 6.818 -1.448 1.00 0.54 C ATOM 1677 C GLU B 43 7.100 5.686 -1.359 1.00 0.53 C ATOM 1678 O GLU B 43 6.089 5.803 -0.663 1.00 0.57 O ATOM 1679 CB GLU B 43 8.970 6.868 -0.175 1.00 0.54 C ATOM 1680 CG GLU B 43 9.870 8.094 -0.100 1.00 0.61 C ATOM 1681 CD GLU B 43 10.691 8.155 1.171 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.092 8.146 2.268 1.00 0.80 O ATOM 1683 OE2 GLU B 43 11.934 8.224 1.069 1.00 0.77 O ATOM 0 H GLU B 43 6.649 8.261 -1.041 1.00 0.56 H new ATOM 0 HA GLU B 43 8.771 6.628 -2.300 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.313 6.855 0.694 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.586 5.970 -0.123 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.541 8.097 -0.959 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.256 8.992 -0.172 1.00 0.61 H new ATOM 1690 N VAL B 44 7.367 4.592 -2.067 1.00 0.51 N ATOM 1691 CA VAL B 44 6.459 3.452 -2.064 1.00 0.51 C ATOM 1692 C VAL B 44 6.997 2.297 -1.221 1.00 0.49 C ATOM 1693 O VAL B 44 7.999 1.665 -1.558 1.00 0.53 O ATOM 1694 CB VAL B 44 6.147 2.944 -3.490 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.094 3.823 -4.149 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.405 2.891 -4.342 1.00 0.59 C ATOM 0 H VAL B 44 8.198 4.472 -2.646 1.00 0.51 H new ATOM 0 HA VAL B 44 5.533 3.814 -1.617 1.00 0.51 H new ATOM 0 HB VAL B 44 5.755 1.930 -3.408 1.00 0.55 H new ATOM 0 HG11 VAL B 44 4.886 3.451 -5.152 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.179 3.801 -3.557 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.462 4.847 -4.210 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.154 2.530 -5.339 1.00 0.59 H new ATOM 0 HG22 VAL B 44 7.837 3.889 -4.415 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.127 2.216 -3.883 1.00 0.59 H new ATOM 1706 N VAL B 45 6.314 2.047 -0.113 1.00 0.47 N ATOM 1707 CA VAL B 45 6.668 0.949 0.810 1.00 0.46 C ATOM 1708 C VAL B 45 5.759 -0.279 0.576 1.00 0.48 C ATOM 1709 O VAL B 45 4.661 -0.195 0.021 1.00 0.51 O ATOM 1710 CB VAL B 45 6.698 1.400 2.291 1.00 0.46 C ATOM 1711 CG1 VAL B 45 6.900 2.893 2.433 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.402 1.251 3.051 1.00 0.62 C ATOM 0 H VAL B 45 5.502 2.589 0.181 1.00 0.47 H new ATOM 0 HA VAL B 45 7.690 0.646 0.582 1.00 0.46 H new ATOM 0 HB VAL B 45 7.494 0.762 2.675 1.00 0.46 H new ATOM 0 HG11 VAL B 45 6.914 3.159 3.490 1.00 0.61 H new ATOM 0 HG12 VAL B 45 7.847 3.177 1.975 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.085 3.419 1.937 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.539 1.597 4.076 1.00 0.62 H new ATOM 0 HG22 VAL B 45 4.627 1.846 2.568 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.103 0.203 3.059 1.00 0.62 H new ATOM 1722 N ALA B 46 6.310 -1.446 0.849 1.00 0.48 N ATOM 1723 CA ALA B 46 5.586 -2.723 0.685 1.00 0.51 C ATOM 1724 C ALA B 46 5.899 -3.689 1.831 1.00 0.51 C ATOM 1725 O ALA B 46 6.949 -3.590 2.473 1.00 0.50 O ATOM 1726 CB ALA B 46 5.954 -3.361 -0.658 1.00 0.55 C ATOM 0 H ALA B 46 7.266 -1.552 1.190 1.00 0.48 H new ATOM 0 HA ALA B 46 4.516 -2.514 0.705 1.00 0.51 H new ATOM 0 HB1 ALA B 46 5.417 -4.302 -0.773 1.00 0.55 H new ATOM 0 HB2 ALA B 46 5.680 -2.686 -1.469 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.027 -3.549 -0.689 1.00 0.55 H new ATOM 1732 N SER B 47 4.952 -4.578 2.093 1.00 0.54 N ATOM 1733 CA SER B 47 5.103 -5.629 3.114 1.00 0.57 C ATOM 1734 C SER B 47 4.888 -7.011 2.496 1.00 0.60 C ATOM 1735 O SER B 47 3.925 -7.254 1.758 1.00 0.63 O ATOM 1736 CB SER B 47 4.110 -5.444 4.261 1.00 0.60 C ATOM 1737 OG SER B 47 4.236 -4.129 4.809 1.00 0.58 O ATOM 0 H SER B 47 4.054 -4.599 1.609 1.00 0.54 H new ATOM 0 HA SER B 47 6.116 -5.550 3.508 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.093 -5.601 3.902 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.293 -6.189 5.035 1.00 0.60 H new ATOM 0 HG SER B 47 3.595 -4.017 5.542 1.00 0.58 H new ATOM 1743 N LEU B 48 5.791 -7.925 2.826 1.00 0.62 N ATOM 1744 CA LEU B 48 5.729 -9.294 2.332 1.00 0.67 C ATOM 1745 C LEU B 48 4.732 -10.116 3.143 1.00 0.71 C ATOM 1746 O LEU B 48 4.163 -9.631 4.121 1.00 0.70 O ATOM 1747 CB LEU B 48 7.115 -9.950 2.401 1.00 0.68 C ATOM 1748 CG LEU B 48 8.115 -9.505 1.327 1.00 0.70 C ATOM 1749 CD1 LEU B 48 8.694 -8.135 1.652 1.00 0.70 C ATOM 1750 CD2 LEU B 48 9.228 -10.532 1.187 1.00 0.75 C ATOM 0 H LEU B 48 6.584 -7.740 3.441 1.00 0.62 H new ATOM 0 HA LEU B 48 5.398 -9.264 1.294 1.00 0.67 H new ATOM 0 HB2 LEU B 48 7.546 -9.744 3.381 1.00 0.68 H new ATOM 0 HB3 LEU B 48 6.989 -11.030 2.329 1.00 0.68 H new ATOM 0 HG LEU B 48 7.584 -9.429 0.378 1.00 0.70 H new ATOM 0 HD11 LEU B 48 9.400 -7.844 0.874 1.00 0.70 H new ATOM 0 HD12 LEU B 48 7.889 -7.402 1.703 1.00 0.70 H new ATOM 0 HD13 LEU B 48 9.209 -8.176 2.612 1.00 0.70 H new ATOM 0 HD21 LEU B 48 9.931 -10.204 0.421 1.00 0.75 H new ATOM 0 HD22 LEU B 48 9.750 -10.635 2.139 1.00 0.75 H new ATOM 0 HD23 LEU B 48 8.802 -11.494 0.901 1.00 0.75 H new ATOM 1762 N LYS B 49 4.531 -11.365 2.736 1.00 0.76 N ATOM 1763 CA LYS B 49 3.608 -12.258 3.429 1.00 0.82 C ATOM 1764 C LYS B 49 4.254 -12.826 4.697 1.00 0.84 C ATOM 1765 O LYS B 49 3.570 -13.355 5.573 1.00 0.89 O ATOM 1766 CB LYS B 49 3.178 -13.394 2.491 1.00 0.89 C ATOM 1767 CG LYS B 49 2.032 -14.243 3.025 1.00 0.98 C ATOM 1768 CD LYS B 49 0.753 -13.433 3.186 1.00 1.05 C ATOM 1769 CE LYS B 49 -0.385 -14.291 3.717 1.00 1.23 C ATOM 1770 NZ LYS B 49 -0.085 -14.848 5.065 1.00 1.27 N ATOM 0 H LYS B 49 4.995 -11.782 1.929 1.00 0.76 H new ATOM 0 HA LYS B 49 2.726 -11.689 3.724 1.00 0.82 H new ATOM 0 HB2 LYS B 49 2.883 -12.967 1.532 1.00 0.89 H new ATOM 0 HB3 LYS B 49 4.036 -14.039 2.302 1.00 0.89 H new ATOM 0 HG2 LYS B 49 1.851 -15.077 2.346 1.00 0.98 H new ATOM 0 HG3 LYS B 49 2.315 -14.671 3.987 1.00 0.98 H new ATOM 0 HD2 LYS B 49 0.931 -12.601 3.867 1.00 1.05 H new ATOM 0 HD3 LYS B 49 0.469 -13.004 2.225 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -1.296 -13.694 3.766 1.00 1.23 H new ATOM 0 HE3 LYS B 49 -0.577 -15.108 3.022 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -0.955 -15.236 5.482 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 0.625 -15.603 4.978 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 0.285 -14.094 5.678 1.00 1.27 H new ATOM 1784 N ASN B 50 5.575 -12.695 4.790 1.00 0.81 N ATOM 1785 CA ASN B 50 6.320 -13.191 5.943 1.00 0.84 C ATOM 1786 C ASN B 50 6.214 -12.229 7.126 1.00 0.80 C ATOM 1787 O ASN B 50 6.373 -12.632 8.278 1.00 0.97 O ATOM 1788 CB ASN B 50 7.791 -13.402 5.570 1.00 0.86 C ATOM 1789 CG ASN B 50 7.961 -14.398 4.439 1.00 0.94 C ATOM 1790 OD1 ASN B 50 7.182 -15.342 4.305 1.00 0.99 O ATOM 1791 ND2 ASN B 50 8.981 -14.193 3.614 1.00 0.97 N ATOM 0 H ASN B 50 6.153 -12.248 4.078 1.00 0.81 H new ATOM 0 HA ASN B 50 5.884 -14.145 6.240 1.00 0.84 H new ATOM 0 HB2 ASN B 50 8.230 -12.448 5.280 1.00 0.86 H new ATOM 0 HB3 ASN B 50 8.339 -13.752 6.445 1.00 0.86 H new ATOM 0 HD21 ASN B 50 9.142 -14.830 2.834 1.00 0.97 H new ATOM 0 HD22 ASN B 50 9.603 -13.398 3.760 1.00 0.97 H new ATOM 1798 N GLY B 51 5.941 -10.961 6.833 1.00 0.67 N ATOM 1799 CA GLY B 51 5.815 -9.964 7.881 1.00 0.65 C ATOM 1800 C GLY B 51 6.963 -8.974 7.879 1.00 0.60 C ATOM 1801 O GLY B 51 7.335 -8.445 8.927 1.00 0.67 O ATOM 0 H GLY B 51 5.805 -10.606 5.887 1.00 0.67 H new ATOM 0 HA2 GLY B 51 4.875 -9.426 7.756 1.00 0.65 H new ATOM 0 HA3 GLY B 51 5.771 -10.462 8.849 1.00 0.65 H new ATOM 1805 N LYS B 52 7.521 -8.720 6.699 1.00 0.57 N ATOM 1806 CA LYS B 52 8.639 -7.789 6.562 1.00 0.55 C ATOM 1807 C LYS B 52 8.265 -6.602 5.683 1.00 0.51 C ATOM 1808 O LYS B 52 7.517 -6.745 4.720 1.00 0.60 O ATOM 1809 CB LYS B 52 9.855 -8.498 5.965 1.00 0.59 C ATOM 1810 CG LYS B 52 10.504 -9.496 6.908 1.00 0.66 C ATOM 1811 CD LYS B 52 11.695 -10.190 6.261 1.00 0.79 C ATOM 1812 CE LYS B 52 12.823 -9.215 5.952 1.00 0.86 C ATOM 1813 NZ LYS B 52 13.979 -9.898 5.309 1.00 1.05 N ATOM 0 H LYS B 52 7.218 -9.145 5.823 1.00 0.57 H new ATOM 0 HA LYS B 52 8.885 -7.422 7.559 1.00 0.55 H new ATOM 0 HB2 LYS B 52 9.552 -9.016 5.055 1.00 0.59 H new ATOM 0 HB3 LYS B 52 10.594 -7.751 5.676 1.00 0.59 H new ATOM 0 HG2 LYS B 52 10.829 -8.983 7.813 1.00 0.66 H new ATOM 0 HG3 LYS B 52 9.769 -10.242 7.211 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.063 -10.972 6.925 1.00 0.79 H new ATOM 0 HD3 LYS B 52 11.375 -10.678 5.340 1.00 0.79 H new ATOM 0 HE2 LYS B 52 12.454 -8.428 5.295 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.151 -8.734 6.873 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 14.728 -9.203 5.113 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.347 -10.633 5.947 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 13.671 -10.336 4.417 1.00 1.05 H new ATOM 1827 N GLU B 53 8.799 -5.430 6.022 1.00 0.53 N ATOM 1828 CA GLU B 53 8.530 -4.215 5.262 1.00 0.50 C ATOM 1829 C GLU B 53 9.829 -3.573 4.785 1.00 0.50 C ATOM 1830 O GLU B 53 10.761 -3.374 5.564 1.00 0.52 O ATOM 1831 CB GLU B 53 7.731 -3.222 6.111 1.00 0.51 C ATOM 1832 CG GLU B 53 8.307 -3.019 7.504 1.00 0.66 C ATOM 1833 CD GLU B 53 7.470 -2.090 8.358 1.00 0.66 C ATOM 1834 OE1 GLU B 53 6.549 -2.585 9.044 1.00 0.67 O ATOM 1835 OE2 GLU B 53 7.740 -0.869 8.348 1.00 0.71 O ATOM 0 H GLU B 53 9.421 -5.298 6.819 1.00 0.53 H new ATOM 0 HA GLU B 53 7.940 -4.486 4.387 1.00 0.50 H new ATOM 0 HB2 GLU B 53 7.696 -2.262 5.597 1.00 0.51 H new ATOM 0 HB3 GLU B 53 6.703 -3.575 6.199 1.00 0.51 H new ATOM 0 HG2 GLU B 53 8.390 -3.985 8.002 1.00 0.66 H new ATOM 0 HG3 GLU B 53 9.316 -2.616 7.419 1.00 0.66 H new ATOM 1842 N ILE B 54 9.890 -3.276 3.495 1.00 0.47 N ATOM 1843 CA ILE B 54 11.088 -2.645 2.904 1.00 0.47 C ATOM 1844 C ILE B 54 10.693 -1.344 2.191 1.00 0.45 C ATOM 1845 O ILE B 54 9.510 -1.002 2.085 1.00 0.43 O ATOM 1846 CB ILE B 54 11.831 -3.634 1.982 1.00 0.49 C ATOM 1847 CG1 ILE B 54 10.950 -4.052 0.791 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.364 -4.826 2.798 1.00 0.52 C ATOM 1849 CD1 ILE B 54 11.664 -4.895 -0.268 1.00 0.49 C ATOM 0 H ILE B 54 9.136 -3.455 2.832 1.00 0.47 H new ATOM 0 HA ILE B 54 11.789 -2.381 3.696 1.00 0.47 H new ATOM 0 HB ILE B 54 12.699 -3.138 1.548 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.096 -4.614 1.168 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.556 -3.154 0.316 1.00 0.47 H new ATOM 0 HG21 ILE B 54 12.886 -5.516 2.135 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.053 -4.465 3.562 1.00 0.52 H new ATOM 0 HG23 ILE B 54 11.531 -5.342 3.275 1.00 0.52 H new ATOM 0 HD11 ILE B 54 10.966 -5.142 -1.068 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.501 -4.331 -0.679 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.034 -5.814 0.187 1.00 0.49 H new ATOM 1861 N CYS B 55 11.702 -0.697 1.630 1.00 0.45 N ATOM 1862 CA CYS B 55 11.518 0.538 0.859 1.00 0.44 C ATOM 1863 C CYS B 55 12.183 0.383 -0.503 1.00 0.45 C ATOM 1864 O CYS B 55 13.315 -0.074 -0.619 1.00 0.48 O ATOM 1865 CB CYS B 55 12.164 1.712 1.585 1.00 0.44 C ATOM 1866 SG CYS B 55 11.308 2.180 3.128 1.00 0.44 S ATOM 0 H CYS B 55 12.672 -1.006 1.692 1.00 0.45 H new ATOM 0 HA CYS B 55 10.451 0.725 0.742 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.199 1.460 1.816 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.187 2.573 0.917 1.00 0.44 H new ATOM 1871 N LEU B 56 11.477 0.866 -1.500 1.00 0.44 N ATOM 1872 CA LEU B 56 11.944 0.775 -2.880 1.00 0.47 C ATOM 1873 C LEU B 56 12.226 2.192 -3.395 1.00 0.48 C ATOM 1874 O LEU B 56 11.609 3.168 -2.958 1.00 0.46 O ATOM 1875 CB LEU B 56 10.820 0.037 -3.616 1.00 0.46 C ATOM 1876 CG LEU B 56 10.459 -1.379 -3.147 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.485 -1.999 -4.148 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.683 -2.279 -2.973 1.00 0.49 C ATOM 0 H LEU B 56 10.575 1.328 -1.389 1.00 0.44 H new ATOM 0 HA LEU B 56 12.879 0.232 -3.019 1.00 0.47 H new ATOM 0 HB2 LEU B 56 9.921 0.649 -3.552 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.092 -0.020 -4.670 1.00 0.46 H new ATOM 0 HG LEU B 56 9.997 -1.296 -2.163 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.222 -3.006 -3.824 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.584 -1.389 -4.204 1.00 0.47 H new ATOM 0 HD13 LEU B 56 9.954 -2.045 -5.131 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.364 -3.267 -2.640 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.207 -2.369 -3.925 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.352 -1.844 -2.230 1.00 0.49 H new ATOM 1890 N ASP B 57 13.126 2.314 -4.357 1.00 0.50 N ATOM 1891 CA ASP B 57 13.414 3.618 -4.944 1.00 0.52 C ATOM 1892 C ASP B 57 12.709 3.755 -6.295 1.00 0.54 C ATOM 1893 O ASP B 57 13.119 3.131 -7.275 1.00 0.59 O ATOM 1894 CB ASP B 57 14.920 3.821 -5.118 1.00 0.57 C ATOM 1895 CG ASP B 57 15.345 5.247 -4.819 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.616 6.181 -5.213 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.405 5.426 -4.183 1.00 0.63 O ATOM 0 H ASP B 57 13.664 1.540 -4.746 1.00 0.50 H new ATOM 0 HA ASP B 57 13.041 4.385 -4.265 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.455 3.138 -4.458 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.204 3.566 -6.139 1.00 0.57 H new ATOM 1902 N PRO B 58 11.630 4.577 -6.363 1.00 0.55 N ATOM 1903 CA PRO B 58 10.865 4.800 -7.608 1.00 0.61 C ATOM 1904 C PRO B 58 11.724 5.432 -8.697 1.00 0.69 C ATOM 1905 O PRO B 58 11.362 5.449 -9.875 1.00 0.83 O ATOM 1906 CB PRO B 58 9.750 5.767 -7.191 1.00 0.64 C ATOM 1907 CG PRO B 58 9.698 5.709 -5.703 1.00 0.60 C ATOM 1908 CD PRO B 58 11.083 5.357 -5.241 1.00 0.57 C ATOM 0 HA PRO B 58 10.494 3.864 -8.026 1.00 0.61 H new ATOM 0 HB2 PRO B 58 9.961 6.779 -7.536 1.00 0.64 H new ATOM 0 HB3 PRO B 58 8.795 5.474 -7.627 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.382 6.666 -5.288 1.00 0.60 H new ATOM 0 HG3 PRO B 58 8.976 4.963 -5.369 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.679 6.248 -5.043 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.063 4.775 -4.319 1.00 0.57 H new ATOM 1916 N GLU B 59 12.861 5.952 -8.265 1.00 0.65 N ATOM 1917 CA GLU B 59 13.850 6.590 -9.146 1.00 0.77 C ATOM 1918 C GLU B 59 14.519 5.608 -10.135 1.00 0.82 C ATOM 1919 O GLU B 59 15.148 6.024 -11.106 1.00 0.91 O ATOM 1920 CB GLU B 59 14.898 7.286 -8.274 1.00 0.83 C ATOM 1921 CG GLU B 59 15.830 8.161 -9.111 1.00 1.10 C ATOM 1922 CD GLU B 59 16.853 8.906 -8.262 1.00 1.18 C ATOM 1923 OE1 GLU B 59 17.637 8.217 -7.569 1.00 1.40 O ATOM 1924 OE2 GLU B 59 16.819 10.151 -8.332 1.00 1.28 O ATOM 0 H GLU B 59 13.135 5.948 -7.283 1.00 0.65 H new ATOM 0 HA GLU B 59 13.326 7.314 -9.770 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.399 7.898 -7.523 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.483 6.538 -7.739 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.351 7.538 -9.838 1.00 1.10 H new ATOM 0 HG3 GLU B 59 15.237 8.881 -9.675 1.00 1.10 H new ATOM 1931 N ALA B 60 14.404 4.313 -9.867 1.00 0.80 N ATOM 1932 CA ALA B 60 15.013 3.286 -10.715 1.00 0.88 C ATOM 1933 C ALA B 60 13.963 2.662 -11.654 1.00 0.91 C ATOM 1934 O ALA B 60 12.896 2.244 -11.196 1.00 0.89 O ATOM 1935 CB ALA B 60 15.654 2.244 -9.803 1.00 0.88 C ATOM 0 H ALA B 60 13.892 3.944 -9.065 1.00 0.80 H new ATOM 0 HA ALA B 60 15.779 3.723 -11.356 1.00 0.88 H new ATOM 0 HB1 ALA B 60 16.116 1.465 -10.409 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.414 2.721 -9.184 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.890 1.801 -9.164 1.00 0.88 H new ATOM 1941 N PRO B 61 14.316 2.496 -12.933 1.00 0.99 N ATOM 1942 CA PRO B 61 13.419 1.935 -13.965 1.00 1.03 C ATOM 1943 C PRO B 61 13.048 0.467 -13.717 1.00 1.03 C ATOM 1944 O PRO B 61 11.869 0.121 -13.716 1.00 1.01 O ATOM 1945 CB PRO B 61 14.179 2.114 -15.279 1.00 1.15 C ATOM 1946 CG PRO B 61 15.646 2.046 -14.854 1.00 1.19 C ATOM 1947 CD PRO B 61 15.651 2.771 -13.508 1.00 1.07 C ATOM 0 HA PRO B 61 12.457 2.448 -13.965 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.932 1.331 -15.996 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.942 3.066 -15.753 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.991 1.016 -14.759 1.00 1.19 H new ATOM 0 HG3 PRO B 61 16.298 2.535 -15.578 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.446 2.400 -12.861 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.816 3.841 -13.634 1.00 1.07 H new ATOM 1955 N PHE B 62 14.038 -0.332 -13.307 1.00 1.06 N ATOM 1956 CA PHE B 62 13.828 -1.755 -12.964 1.00 1.08 C ATOM 1957 C PHE B 62 12.842 -1.920 -11.802 1.00 0.98 C ATOM 1958 O PHE B 62 12.114 -2.905 -11.718 1.00 0.98 O ATOM 1959 CB PHE B 62 15.151 -2.450 -12.616 1.00 1.15 C ATOM 1960 CG PHE B 62 15.821 -1.882 -11.363 1.00 1.11 C ATOM 1961 CD1 PHE B 62 15.506 -2.395 -10.113 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.769 -0.874 -11.489 1.00 1.14 C ATOM 1963 CE1 PHE B 62 16.139 -1.902 -8.982 1.00 1.07 C ATOM 1964 CE2 PHE B 62 17.413 -0.393 -10.358 1.00 1.14 C ATOM 1965 CZ PHE B 62 17.091 -0.900 -9.106 1.00 1.10 C ATOM 0 H PHE B 62 15.003 -0.020 -13.202 1.00 1.06 H new ATOM 0 HA PHE B 62 13.403 -2.228 -13.850 1.00 1.08 H new ATOM 0 HB2 PHE B 62 14.967 -3.514 -12.471 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.835 -2.357 -13.459 1.00 1.15 H new ATOM 0 HD1 PHE B 62 14.768 -3.178 -10.021 1.00 1.07 H new ATOM 0 HD2 PHE B 62 17.003 -0.467 -12.462 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.892 -2.297 -8.008 1.00 1.07 H new ATOM 0 HE2 PHE B 62 18.165 0.376 -10.451 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.583 -0.513 -8.226 1.00 1.10 H new ATOM 1975 N LEU B 63 12.781 -0.911 -10.951 1.00 0.90 N ATOM 1976 CA LEU B 63 11.872 -0.927 -9.823 1.00 0.80 C ATOM 1977 C LEU B 63 10.451 -0.608 -10.282 1.00 0.83 C ATOM 1978 O LEU B 63 9.479 -1.076 -9.693 1.00 0.83 O ATOM 1979 CB LEU B 63 12.329 0.082 -8.783 1.00 0.71 C ATOM 1980 CG LEU B 63 11.777 -0.152 -7.387 1.00 0.64 C ATOM 1981 CD1 LEU B 63 12.920 -0.193 -6.388 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.762 0.930 -7.036 1.00 0.62 C ATOM 0 H LEU B 63 13.352 -0.069 -11.022 1.00 0.90 H new ATOM 0 HA LEU B 63 11.875 -1.922 -9.379 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.418 0.067 -8.736 1.00 0.71 H new ATOM 0 HB3 LEU B 63 12.038 1.080 -9.112 1.00 0.71 H new ATOM 0 HG LEU B 63 11.261 -1.111 -7.352 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.523 -0.361 -5.387 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.602 -1.003 -6.648 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.457 0.755 -6.411 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.373 0.752 -6.033 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.245 1.907 -7.070 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.942 0.906 -7.753 1.00 0.62 H new ATOM 1994 N LYS B 64 10.348 0.186 -11.346 1.00 0.87 N ATOM 1995 CA LYS B 64 9.059 0.578 -11.917 1.00 0.93 C ATOM 1996 C LYS B 64 8.341 -0.631 -12.529 1.00 0.97 C ATOM 1997 O LYS B 64 7.125 -0.639 -12.666 1.00 1.03 O ATOM 1998 CB LYS B 64 9.274 1.661 -12.979 1.00 1.02 C ATOM 1999 CG LYS B 64 8.000 2.113 -13.677 1.00 1.12 C ATOM 2000 CD LYS B 64 8.304 2.959 -14.906 1.00 1.30 C ATOM 2001 CE LYS B 64 8.961 2.139 -16.006 1.00 1.47 C ATOM 2002 NZ LYS B 64 9.183 2.946 -17.238 1.00 1.71 N ATOM 0 H LYS B 64 11.153 0.575 -11.836 1.00 0.87 H new ATOM 0 HA LYS B 64 8.431 0.975 -11.119 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.744 2.525 -12.510 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.972 1.286 -13.728 1.00 1.02 H new ATOM 0 HG2 LYS B 64 7.416 1.241 -13.970 1.00 1.12 H new ATOM 0 HG3 LYS B 64 7.388 2.687 -12.982 1.00 1.12 H new ATOM 0 HD2 LYS B 64 7.380 3.399 -15.282 1.00 1.30 H new ATOM 0 HD3 LYS B 64 8.959 3.784 -14.627 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.915 1.750 -15.649 1.00 1.47 H new ATOM 0 HE3 LYS B 64 8.334 1.279 -16.242 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 9.632 2.353 -17.965 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 8.270 3.297 -17.593 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 9.802 3.752 -17.018 1.00 1.71 H new ATOM 2016 N LYS B 65 9.121 -1.642 -12.886 1.00 0.98 N ATOM 2017 CA LYS B 65 8.612 -2.890 -13.479 1.00 1.04 C ATOM 2018 C LYS B 65 7.911 -3.796 -12.462 1.00 1.02 C ATOM 2019 O LYS B 65 6.715 -4.053 -12.579 1.00 1.07 O ATOM 2020 CB LYS B 65 9.763 -3.652 -14.125 1.00 1.07 C ATOM 2021 CG LYS B 65 10.356 -2.881 -15.301 1.00 1.14 C ATOM 2022 CD LYS B 65 11.433 -3.707 -16.013 1.00 1.20 C ATOM 2023 CE LYS B 65 10.867 -4.967 -16.680 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.900 -4.637 -17.736 1.00 1.36 N ATOM 0 H LYS B 65 10.135 -1.628 -12.775 1.00 0.98 H new ATOM 0 HA LYS B 65 7.867 -2.608 -14.223 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.539 -3.838 -13.383 1.00 1.07 H new ATOM 0 HB3 LYS B 65 9.410 -4.625 -14.468 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.566 -2.622 -16.006 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.786 -1.944 -14.946 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.920 -3.089 -16.767 1.00 1.20 H new ATOM 0 HD3 LYS B 65 12.200 -3.995 -15.293 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.683 -5.552 -17.104 1.00 1.27 H new ATOM 0 HE3 LYS B 65 10.385 -5.591 -15.928 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.681 -5.492 -18.285 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 9.028 -4.269 -17.305 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 10.306 -3.916 -18.366 1.00 1.36 H new ATOM 2038 N VAL B 66 8.626 -4.134 -11.390 1.00 0.96 N ATOM 2039 CA VAL B 66 8.059 -4.959 -10.329 1.00 0.95 C ATOM 2040 C VAL B 66 6.864 -4.261 -9.658 1.00 0.95 C ATOM 2041 O VAL B 66 5.951 -4.928 -9.180 1.00 0.97 O ATOM 2042 CB VAL B 66 9.114 -5.335 -9.264 1.00 0.92 C ATOM 2043 CG1 VAL B 66 10.291 -6.036 -9.917 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.581 -4.115 -8.484 1.00 0.91 C ATOM 0 H VAL B 66 9.593 -3.850 -11.235 1.00 0.96 H new ATOM 0 HA VAL B 66 7.710 -5.878 -10.800 1.00 0.95 H new ATOM 0 HB VAL B 66 8.646 -6.017 -8.554 1.00 0.92 H new ATOM 0 HG11 VAL B 66 11.027 -6.296 -9.156 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.945 -6.943 -10.412 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.747 -5.373 -10.652 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.322 -4.418 -7.744 1.00 0.91 H new ATOM 0 HG22 VAL B 66 10.026 -3.393 -9.169 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.730 -3.658 -7.979 1.00 0.91 H new ATOM 2054 N ILE B 67 6.863 -2.915 -9.630 1.00 0.95 N ATOM 2055 CA ILE B 67 5.743 -2.177 -9.033 1.00 0.97 C ATOM 2056 C ILE B 67 4.628 -1.991 -10.058 1.00 1.02 C ATOM 2057 O ILE B 67 3.483 -1.721 -9.700 1.00 1.08 O ATOM 2058 CB ILE B 67 6.136 -0.798 -8.440 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.497 0.203 -9.542 1.00 1.00 C ATOM 2060 CG2 ILE B 67 7.279 -0.952 -7.444 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.737 1.608 -9.028 1.00 1.07 C ATOM 0 H ILE B 67 7.609 -2.330 -10.006 1.00 0.95 H new ATOM 0 HA ILE B 67 5.400 -2.787 -8.197 1.00 0.97 H new ATOM 0 HB ILE B 67 5.270 -0.400 -7.910 1.00 0.99 H new ATOM 0 HG12 ILE B 67 7.392 -0.144 -10.058 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.693 0.226 -10.278 1.00 1.00 H new ATOM 0 HG21 ILE B 67 7.542 0.025 -7.038 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.969 -1.611 -6.633 1.00 0.98 H new ATOM 0 HG23 ILE B 67 8.145 -1.380 -7.948 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.988 2.263 -9.862 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.836 1.975 -8.537 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.561 1.598 -8.314 1.00 1.07 H new ATOM 2073 N GLN B 68 4.971 -2.102 -11.340 1.00 1.04 N ATOM 2074 CA GLN B 68 3.956 -2.018 -12.402 1.00 1.12 C ATOM 2075 C GLN B 68 3.145 -3.321 -12.478 1.00 1.11 C ATOM 2076 O GLN B 68 1.916 -3.291 -12.542 1.00 1.15 O ATOM 2077 CB GLN B 68 4.635 -1.750 -13.740 1.00 1.19 C ATOM 2078 CG GLN B 68 3.602 -1.466 -14.822 1.00 1.30 C ATOM 2079 CD GLN B 68 4.291 -1.171 -16.148 1.00 1.39 C ATOM 2080 OE1 GLN B 68 5.100 -1.923 -16.670 1.00 1.39 O ATOM 2081 NE2 GLN B 68 3.918 -0.050 -16.717 1.00 1.52 N ATOM 0 H GLN B 68 5.925 -2.248 -11.670 1.00 1.04 H new ATOM 0 HA GLN B 68 3.274 -1.200 -12.171 1.00 1.12 H new ATOM 0 HB2 GLN B 68 5.313 -0.901 -13.646 1.00 1.19 H new ATOM 0 HB3 GLN B 68 5.240 -2.611 -14.025 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.937 -2.322 -14.933 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.983 -0.618 -14.530 1.00 1.30 H new ATOM 0 HE21 GLN B 68 3.240 0.556 -16.254 1.00 1.52 H new ATOM 0 HE22 GLN B 68 4.306 0.216 -17.622 1.00 1.52 H new ATOM 2090 N LYS B 69 3.842 -4.453 -12.365 1.00 1.10 N ATOM 2091 CA LYS B 69 3.209 -5.775 -12.424 1.00 1.13 C ATOM 2092 C LYS B 69 2.192 -5.999 -11.299 1.00 1.15 C ATOM 2093 O LYS B 69 1.207 -6.711 -11.495 1.00 1.23 O ATOM 2094 CB LYS B 69 4.271 -6.874 -12.369 1.00 1.11 C ATOM 2095 CG LYS B 69 5.022 -7.064 -13.675 1.00 1.16 C ATOM 2096 CD LYS B 69 5.906 -8.301 -13.628 1.00 1.24 C ATOM 2097 CE LYS B 69 6.524 -8.596 -14.984 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.300 -9.867 -14.975 1.00 1.61 N ATOM 0 H LYS B 69 4.853 -4.482 -12.231 1.00 1.10 H new ATOM 0 HA LYS B 69 2.669 -5.818 -13.370 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.985 -6.637 -11.581 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.794 -7.815 -12.095 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.311 -7.153 -14.496 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.634 -6.185 -13.877 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.696 -8.157 -12.891 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.317 -9.158 -13.301 1.00 1.24 H new ATOM 0 HE2 LYS B 69 5.737 -8.656 -15.736 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.178 -7.773 -15.272 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 7.706 -10.033 -15.918 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.066 -9.801 -14.275 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 6.671 -10.656 -14.725 1.00 1.61 H new ATOM 2112 N ILE B 70 2.424 -5.407 -10.123 1.00 1.14 N ATOM 2113 CA ILE B 70 1.499 -5.577 -8.997 1.00 1.20 C ATOM 2114 C ILE B 70 0.244 -4.723 -9.166 1.00 1.31 C ATOM 2115 O ILE B 70 -0.745 -4.911 -8.456 1.00 1.43 O ATOM 2116 CB ILE B 70 2.155 -5.251 -7.635 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.763 -3.846 -7.641 1.00 1.17 C ATOM 2118 CG2 ILE B 70 3.207 -6.292 -7.288 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.387 -3.443 -6.321 1.00 1.30 C ATOM 0 H ILE B 70 3.231 -4.815 -9.927 1.00 1.14 H new ATOM 0 HA ILE B 70 1.222 -6.631 -9.000 1.00 1.20 H new ATOM 0 HB ILE B 70 1.379 -5.277 -6.870 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.521 -3.792 -8.422 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.987 -3.126 -7.900 1.00 1.17 H new ATOM 0 HG21 ILE B 70 3.658 -6.047 -6.327 1.00 1.29 H new ATOM 0 HG22 ILE B 70 2.740 -7.275 -7.230 1.00 1.29 H new ATOM 0 HG23 ILE B 70 3.978 -6.301 -8.059 1.00 1.29 H new ATOM 0 HD11 ILE B 70 3.796 -2.436 -6.404 1.00 1.30 H new ATOM 0 HD12 ILE B 70 2.628 -3.463 -5.539 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.187 -4.140 -6.069 1.00 1.30 H new