USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= -0.151 K(o=-4.1,f=-7.5) USER MOD Set 1.2: A 106 MET CE :methyl -126:sc= -3.96! (180deg=-8.08!) USER MOD Single : A 1 GLU N :NH3+ 152:sc= -0.148 (180deg=-0.421) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc=-0.00253 X(o=-0.0025,f=-0.019) USER MOD Single : A 6 CYS SG : rot 180:sc= -0.0746 USER MOD Single : A 7 ASN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-3.9!) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.046 USER MOD Single : A 26 TYR OH : rot 30:sc= -1.39 USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0527) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.13) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.08) USER MOD Single : A 47 MET CE :methyl 180:sc= -0.0993 (180deg=-0.0993) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 148:sc= -0.56 (180deg=-2.71!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -39:sc= -3.28! USER MOD Single : A 65 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.016) USER MOD Single : A 74 MET CE :methyl -122:sc= -0.358 (180deg=-2.56!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.808 K(o=-0.81,f=-3.6!) USER MOD Single : A 78 CYS SG : rot -150:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 178:sc= -0.017 (180deg=-0.0375) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -3.54! C(o=-3.5!,f=-9.6!) USER MOD Single : A 86 HIS : no HD1:sc= -0.524 K(o=-0.52,f=-2.3!) USER MOD Single : A 91 MET CE :methyl 168:sc= 0 (180deg=-0.152) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.5) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.13 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.740 12.764 -0.555 1.00 1.48 N ATOM 2 CA GLU A 1 -15.165 11.597 -1.110 1.00 1.27 C ATOM 3 C GLU A 1 -13.985 11.073 -0.502 1.00 1.12 C ATOM 4 O GLU A 1 -12.926 11.693 -0.564 1.00 1.18 O ATOM 5 CB GLU A 1 -14.753 12.021 -2.363 1.00 1.75 C ATOM 6 CG GLU A 1 -15.758 11.602 -3.071 1.00 2.68 C ATOM 7 CD GLU A 1 -15.848 12.365 -4.203 1.00 3.33 C ATOM 8 OE1 GLU A 1 -14.917 12.233 -5.069 1.00 3.80 O ATOM 9 OE2 GLU A 1 -16.886 13.087 -4.209 1.00 3.80 O ATOM 0 H1 GLU A 1 -16.246 13.288 -1.297 1.00 1.48 H new ATOM 0 H2 GLU A 1 -16.407 12.498 0.197 1.00 1.48 H new ATOM 0 H3 GLU A 1 -14.990 13.365 -0.156 1.00 1.48 H new ATOM 0 HA GLU A 1 -15.909 10.805 -1.021 1.00 1.27 H new ATOM 0 HB2 GLU A 1 -14.623 13.102 -2.418 1.00 1.75 H new ATOM 0 HB3 GLU A 1 -13.809 11.571 -2.668 1.00 1.75 H new ATOM 0 HG2 GLU A 1 -15.624 10.552 -3.333 1.00 2.68 H new ATOM 0 HG3 GLU A 1 -16.681 11.671 -2.495 1.00 2.68 H new ATOM 18 N GLN A 2 -14.135 9.905 -0.006 1.00 1.04 N ATOM 19 CA GLN A 2 -13.033 9.242 0.590 1.00 0.94 C ATOM 20 C GLN A 2 -12.069 8.678 -0.438 1.00 0.83 C ATOM 21 O GLN A 2 -10.864 8.611 -0.191 1.00 0.81 O ATOM 22 CB GLN A 2 -13.563 8.148 1.468 1.00 0.98 C ATOM 23 CG GLN A 2 -14.051 8.621 2.785 1.00 1.10 C ATOM 24 CD GLN A 2 -12.997 8.845 3.716 1.00 1.03 C ATOM 25 OE1 GLN A 2 -12.173 7.975 3.922 1.00 1.62 O ATOM 26 NE2 GLN A 2 -13.094 9.933 4.399 1.00 1.13 N ATOM 0 H GLN A 2 -15.012 9.383 0.001 1.00 1.04 H new ATOM 0 HA GLN A 2 -12.466 9.966 1.175 1.00 0.94 H new ATOM 0 HB2 GLN A 2 -14.377 7.642 0.950 1.00 0.98 H new ATOM 0 HB3 GLN A 2 -12.777 7.409 1.626 1.00 0.98 H new ATOM 0 HG2 GLN A 2 -14.612 9.546 2.649 1.00 1.10 H new ATOM 0 HG3 GLN A 2 -14.743 7.886 3.196 1.00 1.10 H new ATOM 0 HE21 GLN A 2 -13.813 10.619 4.167 1.00 1.13 H new ATOM 0 HE22 GLN A 2 -12.452 10.109 5.172 1.00 1.13 H new ATOM 35 N LEU A 3 -12.601 8.278 -1.579 1.00 0.82 N ATOM 36 CA LEU A 3 -11.800 7.730 -2.639 1.00 0.76 C ATOM 37 C LEU A 3 -10.752 8.711 -3.111 1.00 0.70 C ATOM 38 O LEU A 3 -9.615 8.343 -3.431 1.00 0.67 O ATOM 39 CB LEU A 3 -12.711 7.327 -3.784 1.00 0.84 C ATOM 40 CG LEU A 3 -12.530 5.909 -4.031 1.00 0.83 C ATOM 41 CD1 LEU A 3 -13.475 5.192 -4.681 1.00 1.53 C ATOM 42 CD2 LEU A 3 -11.461 5.668 -4.770 1.00 1.33 C ATOM 0 H LEU A 3 -13.598 8.327 -1.789 1.00 0.82 H new ATOM 0 HA LEU A 3 -11.269 6.855 -2.263 1.00 0.76 H new ATOM 0 HB2 LEU A 3 -13.751 7.540 -3.535 1.00 0.84 H new ATOM 0 HB3 LEU A 3 -12.473 7.902 -4.679 1.00 0.84 H new ATOM 0 HG LEU A 3 -12.512 5.591 -2.989 1.00 0.83 H new ATOM 0 HD11 LEU A 3 -13.151 4.155 -4.765 1.00 1.53 H new ATOM 0 HD12 LEU A 3 -14.412 5.236 -4.125 1.00 1.53 H new ATOM 0 HD13 LEU A 3 -13.625 5.607 -5.678 1.00 1.53 H new ATOM 0 HD21 LEU A 3 -11.364 4.594 -4.930 1.00 1.33 H new ATOM 0 HD22 LEU A 3 -11.563 6.171 -5.732 1.00 1.33 H new ATOM 0 HD23 LEU A 3 -10.573 6.040 -4.258 1.00 1.33 H new ATOM 54 N LYS A 4 -11.136 9.954 -3.145 1.00 0.72 N ATOM 55 CA LYS A 4 -10.262 10.984 -3.551 1.00 0.72 C ATOM 56 C LYS A 4 -9.066 11.154 -2.655 1.00 0.66 C ATOM 57 O LYS A 4 -7.938 11.366 -3.114 1.00 0.65 O ATOM 58 CB LYS A 4 -11.010 12.215 -3.546 1.00 0.80 C ATOM 59 CG LYS A 4 -10.526 12.862 -4.597 1.00 1.31 C ATOM 60 CD LYS A 4 -11.082 14.050 -4.447 1.00 1.81 C ATOM 61 CE LYS A 4 -11.395 14.365 -5.670 1.00 2.39 C ATOM 62 NZ LYS A 4 -10.690 15.333 -6.194 1.00 2.98 N ATOM 0 H LYS A 4 -12.071 10.270 -2.888 1.00 0.72 H new ATOM 0 HA LYS A 4 -9.880 10.720 -4.537 1.00 0.72 H new ATOM 0 HB2 LYS A 4 -12.081 12.037 -3.640 1.00 0.80 H new ATOM 0 HB3 LYS A 4 -10.860 12.775 -2.623 1.00 0.80 H new ATOM 0 HG2 LYS A 4 -9.437 12.913 -4.583 1.00 1.31 H new ATOM 0 HG3 LYS A 4 -10.811 12.390 -5.537 1.00 1.31 H new ATOM 0 HD2 LYS A 4 -11.958 14.010 -3.800 1.00 1.81 H new ATOM 0 HD3 LYS A 4 -10.392 14.769 -4.005 1.00 1.81 H new ATOM 0 HE2 LYS A 4 -11.287 13.479 -6.295 1.00 2.39 H new ATOM 0 HE3 LYS A 4 -12.447 14.648 -5.697 1.00 2.39 H new ATOM 0 HZ1 LYS A 4 -11.013 15.510 -7.167 1.00 2.98 H new ATOM 0 HZ2 LYS A 4 -10.810 16.196 -5.627 1.00 2.98 H new ATOM 0 HZ3 LYS A 4 -9.686 15.064 -6.206 1.00 2.98 H new ATOM 76 N HIS A 5 -9.329 11.065 -1.380 1.00 0.68 N ATOM 77 CA HIS A 5 -8.300 11.181 -0.385 1.00 0.69 C ATOM 78 C HIS A 5 -7.268 10.085 -0.526 1.00 0.62 C ATOM 79 O HIS A 5 -6.068 10.312 -0.373 1.00 0.63 O ATOM 80 CB HIS A 5 -8.934 11.061 0.972 1.00 0.79 C ATOM 81 CG HIS A 5 -9.266 12.281 1.486 1.00 1.13 C ATOM 82 ND1 HIS A 5 -8.385 12.933 2.109 1.00 1.86 N ATOM 83 CD2 HIS A 5 -10.361 12.943 1.566 1.00 1.56 C ATOM 84 CE1 HIS A 5 -8.894 13.974 2.574 1.00 2.23 C ATOM 85 NE2 HIS A 5 -10.087 14.004 2.263 1.00 1.98 N ATOM 0 H HIS A 5 -10.264 10.910 -1.002 1.00 0.68 H new ATOM 0 HA HIS A 5 -7.804 12.143 -0.512 1.00 0.69 H new ATOM 0 HB2 HIS A 5 -9.828 10.441 0.902 1.00 0.79 H new ATOM 0 HB3 HIS A 5 -8.247 10.555 1.651 1.00 0.79 H new ATOM 0 HD2 HIS A 5 -11.316 12.673 1.141 1.00 1.56 H new ATOM 0 HE1 HIS A 5 -8.375 14.724 3.153 1.00 2.23 H new ATOM 0 HE2 HIS A 5 -10.748 14.740 2.512 1.00 1.98 H new ATOM 94 N CYS A 6 -7.745 8.895 -0.811 1.00 0.61 N ATOM 95 CA CYS A 6 -6.887 7.754 -0.975 1.00 0.59 C ATOM 96 C CYS A 6 -5.940 7.934 -2.156 1.00 0.52 C ATOM 97 O CYS A 6 -4.771 7.541 -2.098 1.00 0.54 O ATOM 98 CB CYS A 6 -7.763 6.548 -1.180 1.00 0.67 C ATOM 99 SG CYS A 6 -7.170 5.130 -0.352 1.00 1.09 S ATOM 0 H CYS A 6 -8.738 8.695 -0.935 1.00 0.61 H new ATOM 0 HA CYS A 6 -6.266 7.631 -0.088 1.00 0.59 H new ATOM 0 HB2 CYS A 6 -8.770 6.773 -0.829 1.00 0.67 H new ATOM 0 HB3 CYS A 6 -7.837 6.336 -2.247 1.00 0.67 H new ATOM 0 HG CYS A 6 -7.973 4.132 -0.571 1.00 1.09 H new ATOM 105 N ASN A 7 -6.450 8.541 -3.218 1.00 0.49 N ATOM 106 CA ASN A 7 -5.650 8.792 -4.408 1.00 0.48 C ATOM 107 C ASN A 7 -4.474 9.705 -4.091 1.00 0.46 C ATOM 108 O ASN A 7 -3.388 9.545 -4.648 1.00 0.49 O ATOM 109 CB ASN A 7 -6.501 9.426 -5.499 1.00 0.55 C ATOM 110 CG ASN A 7 -6.994 8.404 -6.489 1.00 0.64 C ATOM 111 OD1 ASN A 7 -6.324 8.054 -7.457 1.00 1.07 O ATOM 112 ND2 ASN A 7 -8.161 7.912 -6.266 1.00 0.87 N ATOM 0 H ASN A 7 -7.414 8.869 -3.280 1.00 0.49 H new ATOM 0 HA ASN A 7 -5.268 7.833 -4.759 1.00 0.48 H new ATOM 0 HB2 ASN A 7 -7.353 9.934 -5.046 1.00 0.55 H new ATOM 0 HB3 ASN A 7 -5.917 10.185 -6.020 1.00 0.55 H new ATOM 0 HD21 ASN A 7 -8.550 7.214 -6.900 1.00 0.87 H new ATOM 0 HD22 ASN A 7 -8.698 8.219 -5.455 1.00 0.87 H new ATOM 119 N VAL A 8 -4.695 10.657 -3.192 1.00 0.46 N ATOM 120 CA VAL A 8 -3.651 11.590 -2.800 1.00 0.49 C ATOM 121 C VAL A 8 -2.497 10.874 -2.111 1.00 0.47 C ATOM 122 O VAL A 8 -1.331 11.202 -2.333 1.00 0.49 O ATOM 123 CB VAL A 8 -4.196 12.677 -1.860 1.00 0.57 C ATOM 124 CG1 VAL A 8 -3.150 13.736 -1.613 1.00 0.63 C ATOM 125 CG2 VAL A 8 -5.455 13.280 -2.430 1.00 0.60 C ATOM 0 H VAL A 8 -5.589 10.801 -2.722 1.00 0.46 H new ATOM 0 HA VAL A 8 -3.288 12.056 -3.716 1.00 0.49 H new ATOM 0 HB VAL A 8 -4.443 12.219 -0.902 1.00 0.57 H new ATOM 0 HG11 VAL A 8 -3.554 14.497 -0.945 1.00 0.63 H new ATOM 0 HG12 VAL A 8 -2.272 13.280 -1.155 1.00 0.63 H new ATOM 0 HG13 VAL A 8 -2.868 14.196 -2.560 1.00 0.63 H new ATOM 0 HG21 VAL A 8 -5.829 14.048 -1.753 1.00 0.60 H new ATOM 0 HG22 VAL A 8 -5.238 13.726 -3.401 1.00 0.60 H new ATOM 0 HG23 VAL A 8 -6.209 12.502 -2.549 1.00 0.60 H new ATOM 135 N ILE A 9 -2.831 9.893 -1.281 1.00 0.47 N ATOM 136 CA ILE A 9 -1.823 9.125 -0.565 1.00 0.49 C ATOM 137 C ILE A 9 -0.977 8.296 -1.522 1.00 0.47 C ATOM 138 O ILE A 9 0.228 8.134 -1.322 1.00 0.52 O ATOM 139 CB ILE A 9 -2.465 8.192 0.473 1.00 0.52 C ATOM 140 CG1 ILE A 9 -3.422 8.972 1.370 1.00 0.56 C ATOM 141 CG2 ILE A 9 -1.396 7.508 1.300 1.00 0.58 C ATOM 142 CD1 ILE A 9 -4.209 8.109 2.310 1.00 0.63 C ATOM 0 H ILE A 9 -3.792 9.612 -1.088 1.00 0.47 H new ATOM 0 HA ILE A 9 -1.184 9.844 -0.053 1.00 0.49 H new ATOM 0 HB ILE A 9 -3.035 7.426 -0.053 1.00 0.52 H new ATOM 0 HG12 ILE A 9 -2.852 9.698 1.949 1.00 0.56 H new ATOM 0 HG13 ILE A 9 -4.114 9.536 0.744 1.00 0.56 H new ATOM 0 HG21 ILE A 9 -1.867 6.850 2.031 1.00 0.58 H new ATOM 0 HG22 ILE A 9 -0.750 6.921 0.647 1.00 0.58 H new ATOM 0 HG23 ILE A 9 -0.801 8.260 1.818 1.00 0.58 H new ATOM 0 HD11 ILE A 9 -4.866 8.734 2.914 1.00 0.63 H new ATOM 0 HD12 ILE A 9 -4.807 7.400 1.738 1.00 0.63 H new ATOM 0 HD13 ILE A 9 -3.526 7.564 2.962 1.00 0.63 H new ATOM 154 N LEU A 10 -1.614 7.783 -2.564 1.00 0.45 N ATOM 155 CA LEU A 10 -0.932 6.991 -3.554 1.00 0.47 C ATOM 156 C LEU A 10 0.091 7.804 -4.327 1.00 0.46 C ATOM 157 O LEU A 10 1.199 7.334 -4.612 1.00 0.48 O ATOM 158 CB LEU A 10 -1.925 6.393 -4.513 1.00 0.52 C ATOM 159 CG LEU A 10 -1.436 5.071 -4.973 1.00 0.59 C ATOM 160 CD1 LEU A 10 -1.696 4.043 -4.114 1.00 1.43 C ATOM 161 CD2 LEU A 10 -1.970 4.569 -6.156 1.00 1.25 C ATOM 0 H LEU A 10 -2.611 7.908 -2.739 1.00 0.45 H new ATOM 0 HA LEU A 10 -0.402 6.198 -3.025 1.00 0.47 H new ATOM 0 HB2 LEU A 10 -2.895 6.285 -4.028 1.00 0.52 H new ATOM 0 HB3 LEU A 10 -2.067 7.057 -5.366 1.00 0.52 H new ATOM 0 HG LEU A 10 -0.382 5.330 -5.077 1.00 0.59 H new ATOM 0 HD11 LEU A 10 -1.304 3.114 -4.529 1.00 1.43 H new ATOM 0 HD12 LEU A 10 -1.219 4.241 -3.154 1.00 1.43 H new ATOM 0 HD13 LEU A 10 -2.773 3.951 -3.972 1.00 1.43 H new ATOM 0 HD21 LEU A 10 -1.525 3.598 -6.373 1.00 1.25 H new ATOM 0 HD22 LEU A 10 -3.049 4.458 -6.050 1.00 1.25 H new ATOM 0 HD23 LEU A 10 -1.755 5.258 -6.973 1.00 1.25 H new ATOM 173 N LYS A 11 -0.286 9.025 -4.655 1.00 0.48 N ATOM 174 CA LYS A 11 0.597 9.926 -5.376 1.00 0.53 C ATOM 175 C LYS A 11 1.854 10.212 -4.605 1.00 0.50 C ATOM 176 O LYS A 11 2.930 10.331 -5.180 1.00 0.53 O ATOM 177 CB LYS A 11 -0.079 11.241 -5.600 1.00 0.62 C ATOM 178 CG LYS A 11 -0.915 11.198 -6.711 1.00 0.95 C ATOM 179 CD LYS A 11 -1.076 12.561 -7.120 1.00 1.13 C ATOM 180 CE LYS A 11 -2.332 12.638 -7.640 1.00 1.70 C ATOM 181 NZ LYS A 11 -2.685 13.936 -7.864 1.00 2.04 N ATOM 0 H LYS A 11 -1.201 9.418 -4.433 1.00 0.48 H new ATOM 0 HA LYS A 11 0.841 9.434 -6.317 1.00 0.53 H new ATOM 0 HB2 LYS A 11 -0.658 11.509 -4.717 1.00 0.62 H new ATOM 0 HB3 LYS A 11 0.672 12.019 -5.737 1.00 0.62 H new ATOM 0 HG2 LYS A 11 -0.477 10.598 -7.509 1.00 0.95 H new ATOM 0 HG3 LYS A 11 -1.875 10.746 -6.463 1.00 0.95 H new ATOM 0 HD2 LYS A 11 -0.958 13.241 -6.276 1.00 1.13 H new ATOM 0 HD3 LYS A 11 -0.327 12.840 -7.861 1.00 1.13 H new ATOM 0 HE2 LYS A 11 -2.379 12.077 -8.574 1.00 1.70 H new ATOM 0 HE3 LYS A 11 -3.043 12.176 -6.955 1.00 1.70 H new ATOM 0 HZ1 LYS A 11 -3.646 13.971 -8.260 1.00 2.04 H new ATOM 0 HZ2 LYS A 11 -2.661 14.462 -6.967 1.00 2.04 H new ATOM 0 HZ3 LYS A 11 -2.018 14.366 -8.536 1.00 2.04 H new ATOM 195 N GLU A 12 1.703 10.346 -3.299 1.00 0.49 N ATOM 196 CA GLU A 12 2.828 10.634 -2.433 1.00 0.52 C ATOM 197 C GLU A 12 3.803 9.473 -2.397 1.00 0.49 C ATOM 198 O GLU A 12 5.018 9.668 -2.362 1.00 0.58 O ATOM 199 CB GLU A 12 2.333 10.914 -1.025 1.00 0.57 C ATOM 200 CG GLU A 12 3.369 11.561 -0.163 1.00 0.67 C ATOM 201 CD GLU A 12 3.283 12.985 -0.207 1.00 1.31 C ATOM 202 OE1 GLU A 12 3.259 13.520 -1.364 1.00 1.98 O ATOM 203 OE2 GLU A 12 3.330 13.556 0.927 1.00 1.95 O ATOM 0 H GLU A 12 0.809 10.259 -2.816 1.00 0.49 H new ATOM 0 HA GLU A 12 3.344 11.509 -2.829 1.00 0.52 H new ATOM 0 HB2 GLU A 12 1.455 11.558 -1.075 1.00 0.57 H new ATOM 0 HB3 GLU A 12 2.016 9.979 -0.564 1.00 0.57 H new ATOM 0 HG2 GLU A 12 3.249 11.222 0.866 1.00 0.67 H new ATOM 0 HG3 GLU A 12 4.361 11.247 -0.489 1.00 0.67 H new ATOM 210 N LEU A 13 3.261 8.265 -2.403 1.00 0.43 N ATOM 211 CA LEU A 13 4.080 7.065 -2.370 1.00 0.46 C ATOM 212 C LEU A 13 4.879 6.908 -3.645 1.00 0.45 C ATOM 213 O LEU A 13 6.009 6.419 -3.630 1.00 0.53 O ATOM 214 CB LEU A 13 3.201 5.848 -2.162 1.00 0.51 C ATOM 215 CG LEU A 13 2.494 5.825 -0.825 1.00 0.60 C ATOM 216 CD1 LEU A 13 1.359 4.862 -0.811 1.00 0.62 C ATOM 217 CD2 LEU A 13 3.435 5.381 0.223 1.00 0.96 C ATOM 0 H LEU A 13 2.256 8.090 -2.430 1.00 0.43 H new ATOM 0 HA LEU A 13 4.781 7.157 -1.540 1.00 0.46 H new ATOM 0 HB2 LEU A 13 2.456 5.810 -2.957 1.00 0.51 H new ATOM 0 HB3 LEU A 13 3.812 4.950 -2.254 1.00 0.51 H new ATOM 0 HG LEU A 13 2.124 6.834 -0.647 1.00 0.60 H new ATOM 0 HD11 LEU A 13 0.880 4.878 0.168 1.00 0.62 H new ATOM 0 HD12 LEU A 13 0.634 5.143 -1.574 1.00 0.62 H new ATOM 0 HD13 LEU A 13 1.731 3.858 -1.016 1.00 0.62 H new ATOM 0 HD21 LEU A 13 2.925 5.365 1.186 1.00 0.96 H new ATOM 0 HD22 LEU A 13 3.797 4.380 -0.013 1.00 0.96 H new ATOM 0 HD23 LEU A 13 4.278 6.070 0.270 1.00 0.96 H new ATOM 229 N LEU A 14 4.292 7.323 -4.743 1.00 0.45 N ATOM 230 CA LEU A 14 4.948 7.237 -6.019 1.00 0.54 C ATOM 231 C LEU A 14 5.704 8.483 -6.375 1.00 0.57 C ATOM 232 O LEU A 14 6.513 8.494 -7.309 1.00 0.63 O ATOM 233 CB LEU A 14 3.926 7.021 -7.046 1.00 0.62 C ATOM 234 CG LEU A 14 4.052 5.735 -7.628 1.00 1.03 C ATOM 235 CD1 LEU A 14 2.751 5.187 -7.706 1.00 1.57 C ATOM 236 CD2 LEU A 14 4.282 5.833 -9.023 1.00 1.62 C ATOM 0 H LEU A 14 3.355 7.725 -4.774 1.00 0.45 H new ATOM 0 HA LEU A 14 5.665 6.418 -5.963 1.00 0.54 H new ATOM 0 HB2 LEU A 14 2.935 7.129 -6.606 1.00 0.62 H new ATOM 0 HB3 LEU A 14 4.016 7.784 -7.819 1.00 0.62 H new ATOM 0 HG LEU A 14 4.816 5.204 -7.061 1.00 1.03 H new ATOM 0 HD11 LEU A 14 2.801 4.193 -8.150 1.00 1.57 H new ATOM 0 HD12 LEU A 14 2.325 5.116 -6.705 1.00 1.57 H new ATOM 0 HD13 LEU A 14 2.122 5.829 -8.323 1.00 1.57 H new ATOM 0 HD21 LEU A 14 4.375 4.833 -9.447 1.00 1.62 H new ATOM 0 HD22 LEU A 14 3.446 6.351 -9.494 1.00 1.62 H new ATOM 0 HD23 LEU A 14 5.201 6.390 -9.202 1.00 1.62 H new ATOM 248 N SER A 15 5.423 9.537 -5.655 1.00 0.63 N ATOM 249 CA SER A 15 6.062 10.788 -5.908 1.00 0.71 C ATOM 250 C SER A 15 7.571 10.693 -5.746 1.00 0.66 C ATOM 251 O SER A 15 8.303 10.560 -6.727 1.00 0.66 O ATOM 252 CB SER A 15 5.555 11.832 -4.979 1.00 0.89 C ATOM 253 OG SER A 15 6.394 12.928 -5.161 1.00 1.02 O ATOM 0 H SER A 15 4.752 9.547 -4.887 1.00 0.63 H new ATOM 0 HA SER A 15 5.831 11.056 -6.939 1.00 0.71 H new ATOM 0 HB2 SER A 15 4.520 12.088 -5.203 1.00 0.89 H new ATOM 0 HB3 SER A 15 5.581 11.485 -3.946 1.00 0.89 H new ATOM 0 HG SER A 15 6.110 13.659 -4.573 1.00 1.02 H new ATOM 259 N LYS A 16 8.038 10.770 -4.503 1.00 0.75 N ATOM 260 CA LYS A 16 9.474 10.648 -4.246 1.00 0.81 C ATOM 261 C LYS A 16 9.847 10.347 -2.837 1.00 0.97 C ATOM 262 O LYS A 16 10.706 9.514 -2.584 1.00 1.76 O ATOM 263 CB LYS A 16 10.254 11.752 -4.707 1.00 0.94 C ATOM 264 CG LYS A 16 9.619 12.901 -4.887 1.00 1.25 C ATOM 265 CD LYS A 16 10.819 13.617 -5.203 1.00 1.70 C ATOM 266 CE LYS A 16 10.286 14.795 -5.307 1.00 2.37 C ATOM 267 NZ LYS A 16 11.002 15.731 -5.867 1.00 2.85 N ATOM 0 H LYS A 16 7.461 10.913 -3.674 1.00 0.75 H new ATOM 0 HA LYS A 16 9.721 9.772 -4.846 1.00 0.81 H new ATOM 0 HB2 LYS A 16 11.061 11.919 -3.994 1.00 0.94 H new ATOM 0 HB3 LYS A 16 10.717 11.469 -5.652 1.00 0.94 H new ATOM 0 HG2 LYS A 16 8.887 12.882 -5.695 1.00 1.25 H new ATOM 0 HG3 LYS A 16 9.104 13.268 -3.999 1.00 1.25 H new ATOM 0 HD2 LYS A 16 11.573 13.556 -4.418 1.00 1.70 H new ATOM 0 HD3 LYS A 16 11.290 13.277 -6.125 1.00 1.70 H new ATOM 0 HE2 LYS A 16 9.359 14.697 -5.872 1.00 2.37 H new ATOM 0 HE3 LYS A 16 10.015 15.132 -4.306 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 10.460 16.618 -5.886 1.00 2.85 H new ATOM 0 HZ2 LYS A 16 11.877 15.872 -5.322 1.00 2.85 H new ATOM 0 HZ3 LYS A 16 11.241 15.450 -6.839 1.00 2.85 H new ATOM 281 N LYS A 17 9.246 10.980 -1.927 1.00 0.86 N ATOM 282 CA LYS A 17 9.535 10.709 -0.545 1.00 0.94 C ATOM 283 C LYS A 17 9.510 9.282 -0.120 1.00 0.71 C ATOM 284 O LYS A 17 10.291 8.842 0.733 1.00 0.79 O ATOM 285 CB LYS A 17 8.425 11.348 0.183 1.00 1.15 C ATOM 286 CG LYS A 17 8.981 12.373 0.694 1.00 1.68 C ATOM 287 CD LYS A 17 8.238 12.985 1.658 1.00 1.94 C ATOM 288 CE LYS A 17 9.014 14.078 1.572 1.00 2.46 C ATOM 289 NZ LYS A 17 8.385 15.174 1.829 1.00 3.07 N ATOM 0 H LYS A 17 8.541 11.700 -2.089 1.00 0.86 H new ATOM 0 HA LYS A 17 10.549 11.060 -0.355 1.00 0.94 H new ATOM 0 HB2 LYS A 17 7.607 11.621 -0.484 1.00 1.15 H new ATOM 0 HB3 LYS A 17 8.009 10.690 0.946 1.00 1.15 H new ATOM 0 HG2 LYS A 17 9.940 12.078 1.121 1.00 1.68 H new ATOM 0 HG3 LYS A 17 9.192 13.092 -0.098 1.00 1.68 H new ATOM 0 HD2 LYS A 17 7.192 13.145 1.396 1.00 1.94 H new ATOM 0 HD3 LYS A 17 8.252 12.490 2.629 1.00 1.94 H new ATOM 0 HE2 LYS A 17 9.850 13.977 2.264 1.00 2.46 H new ATOM 0 HE3 LYS A 17 9.436 14.137 0.569 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 9.040 15.978 1.745 1.00 3.07 H new ATOM 0 HZ2 LYS A 17 7.603 15.292 1.153 1.00 3.07 H new ATOM 0 HZ3 LYS A 17 8.004 15.137 2.796 1.00 3.07 H new ATOM 303 N HIS A 18 8.552 8.597 -0.656 1.00 0.56 N ATOM 304 CA HIS A 18 8.323 7.225 -0.304 1.00 0.50 C ATOM 305 C HIS A 18 8.530 6.335 -1.509 1.00 0.44 C ATOM 306 O HIS A 18 8.110 5.175 -1.526 1.00 0.52 O ATOM 307 CB HIS A 18 6.874 7.080 0.274 1.00 0.62 C ATOM 308 CG HIS A 18 6.597 7.942 1.462 1.00 0.69 C ATOM 309 ND1 HIS A 18 7.564 8.286 2.227 1.00 1.35 N ATOM 310 CD2 HIS A 18 5.582 8.095 2.114 1.00 1.32 C ATOM 311 CE1 HIS A 18 7.198 8.765 3.397 1.00 1.23 C ATOM 312 NE2 HIS A 18 5.967 8.745 3.417 1.00 1.08 N ATOM 0 H HIS A 18 7.904 8.969 -1.350 1.00 0.56 H new ATOM 0 HA HIS A 18 9.036 6.913 0.459 1.00 0.50 H new ATOM 0 HB2 HIS A 18 6.157 7.321 -0.510 1.00 0.62 H new ATOM 0 HB3 HIS A 18 6.708 6.038 0.549 1.00 0.62 H new ATOM 0 HD2 HIS A 18 4.583 7.815 1.813 1.00 1.32 H new ATOM 0 HE1 HIS A 18 7.850 9.109 4.186 1.00 1.23 H new ATOM 0 HE2 HIS A 18 5.348 9.091 4.150 1.00 1.08 H new ATOM 321 N ALA A 19 9.203 6.861 -2.526 1.00 0.42 N ATOM 322 CA ALA A 19 9.463 6.096 -3.729 1.00 0.43 C ATOM 323 C ALA A 19 10.433 4.957 -3.475 1.00 0.43 C ATOM 324 O ALA A 19 10.311 3.890 -4.070 1.00 0.46 O ATOM 325 CB ALA A 19 9.997 6.997 -4.815 1.00 0.52 C ATOM 0 H ALA A 19 9.575 7.811 -2.537 1.00 0.42 H new ATOM 0 HA ALA A 19 8.517 5.661 -4.052 1.00 0.43 H new ATOM 0 HB1 ALA A 19 10.188 6.410 -5.713 1.00 0.52 H new ATOM 0 HB2 ALA A 19 9.264 7.773 -5.037 1.00 0.52 H new ATOM 0 HB3 ALA A 19 10.925 7.460 -4.480 1.00 0.52 H new ATOM 331 N ALA A 20 11.391 5.186 -2.583 1.00 0.46 N ATOM 332 CA ALA A 20 12.378 4.172 -2.246 1.00 0.53 C ATOM 333 C ALA A 20 11.727 2.850 -1.867 1.00 0.49 C ATOM 334 O ALA A 20 12.219 1.783 -2.222 1.00 0.54 O ATOM 335 CB ALA A 20 13.260 4.651 -1.121 1.00 0.63 C ATOM 0 H ALA A 20 11.503 6.067 -2.081 1.00 0.46 H new ATOM 0 HA ALA A 20 12.985 4.002 -3.135 1.00 0.53 H new ATOM 0 HB1 ALA A 20 13.993 3.881 -0.880 1.00 0.63 H new ATOM 0 HB2 ALA A 20 13.776 5.561 -1.426 1.00 0.63 H new ATOM 0 HB3 ALA A 20 12.649 4.857 -0.242 1.00 0.63 H new ATOM 341 N TYR A 21 10.618 2.930 -1.149 1.00 0.46 N ATOM 342 CA TYR A 21 9.895 1.740 -0.729 1.00 0.47 C ATOM 343 C TYR A 21 8.766 1.404 -1.711 1.00 0.44 C ATOM 344 O TYR A 21 8.128 0.352 -1.607 1.00 0.46 O ATOM 345 CB TYR A 21 9.327 1.943 0.673 1.00 0.53 C ATOM 346 CG TYR A 21 10.202 2.748 1.596 1.00 0.55 C ATOM 347 CD1 TYR A 21 11.454 2.515 1.758 1.00 1.26 C ATOM 348 CD2 TYR A 21 9.748 3.722 2.272 1.00 1.21 C ATOM 349 CE1 TYR A 21 12.230 3.237 2.562 1.00 1.27 C ATOM 350 CE2 TYR A 21 10.545 4.454 3.101 1.00 1.29 C ATOM 351 CZ TYR A 21 11.795 4.171 3.211 1.00 0.69 C ATOM 352 OH TYR A 21 12.695 4.861 3.969 1.00 0.80 O ATOM 0 H TYR A 21 10.198 3.808 -0.844 1.00 0.46 H new ATOM 0 HA TYR A 21 10.594 0.903 -0.717 1.00 0.47 H new ATOM 0 HB2 TYR A 21 8.359 2.437 0.590 1.00 0.53 H new ATOM 0 HB3 TYR A 21 9.149 0.966 1.123 1.00 0.53 H new ATOM 0 HD1 TYR A 21 11.899 1.694 1.216 1.00 1.26 H new ATOM 0 HD2 TYR A 21 8.702 3.978 2.188 1.00 1.21 H new ATOM 0 HE1 TYR A 21 13.278 2.987 2.642 1.00 1.27 H new ATOM 0 HE2 TYR A 21 10.126 5.273 3.667 1.00 1.29 H new ATOM 0 HH TYR A 21 12.236 5.585 4.443 1.00 0.80 H new ATOM 362 N ALA A 22 8.526 2.294 -2.671 1.00 0.43 N ATOM 363 CA ALA A 22 7.483 2.090 -3.664 1.00 0.45 C ATOM 364 C ALA A 22 7.928 1.170 -4.794 1.00 0.45 C ATOM 365 O ALA A 22 7.206 0.248 -5.158 1.00 0.51 O ATOM 366 CB ALA A 22 7.045 3.420 -4.229 1.00 0.50 C ATOM 0 H ALA A 22 9.044 3.166 -2.779 1.00 0.43 H new ATOM 0 HA ALA A 22 6.647 1.605 -3.160 1.00 0.45 H new ATOM 0 HB1 ALA A 22 6.264 3.260 -4.972 1.00 0.50 H new ATOM 0 HB2 ALA A 22 6.659 4.047 -3.426 1.00 0.50 H new ATOM 0 HB3 ALA A 22 7.896 3.914 -4.698 1.00 0.50 H new ATOM 372 N TRP A 23 9.109 1.427 -5.355 1.00 0.46 N ATOM 373 CA TRP A 23 9.619 0.610 -6.456 1.00 0.50 C ATOM 374 C TRP A 23 9.852 -0.856 -6.052 1.00 0.49 C ATOM 375 O TRP A 23 9.623 -1.755 -6.856 1.00 0.53 O ATOM 376 CB TRP A 23 10.899 1.216 -7.037 1.00 0.56 C ATOM 377 CG TRP A 23 12.053 1.228 -6.090 1.00 0.56 C ATOM 378 CD1 TRP A 23 12.454 2.267 -5.305 1.00 0.57 C ATOM 379 CD2 TRP A 23 12.956 0.153 -5.827 1.00 0.59 C ATOM 380 NE1 TRP A 23 13.548 1.902 -4.566 1.00 0.60 N ATOM 381 CE2 TRP A 23 13.877 0.609 -4.870 1.00 0.62 C ATOM 382 CE3 TRP A 23 13.072 -1.152 -6.307 1.00 0.63 C ATOM 383 CZ2 TRP A 23 14.901 -0.192 -4.383 1.00 0.69 C ATOM 384 CZ3 TRP A 23 14.090 -1.948 -5.824 1.00 0.69 C ATOM 385 CH2 TRP A 23 14.993 -1.465 -4.870 1.00 0.72 C ATOM 0 H TRP A 23 9.726 2.187 -5.069 1.00 0.46 H new ATOM 0 HA TRP A 23 8.846 0.608 -7.225 1.00 0.50 H new ATOM 0 HB2 TRP A 23 11.181 0.656 -7.929 1.00 0.56 H new ATOM 0 HB3 TRP A 23 10.693 2.238 -7.354 1.00 0.56 H new ATOM 0 HD1 TRP A 23 11.979 3.236 -5.271 1.00 0.57 H new ATOM 0 HE1 TRP A 23 14.038 2.497 -3.898 1.00 0.60 H new ATOM 0 HE3 TRP A 23 12.378 -1.532 -7.042 1.00 0.63 H new ATOM 0 HZ2 TRP A 23 15.599 0.178 -3.646 1.00 0.69 H new ATOM 0 HZ3 TRP A 23 14.192 -2.960 -6.188 1.00 0.69 H new ATOM 0 HH2 TRP A 23 15.779 -2.113 -4.511 1.00 0.72 H new ATOM 396 N PRO A 24 10.298 -1.131 -4.814 1.00 0.47 N ATOM 397 CA PRO A 24 10.536 -2.496 -4.356 1.00 0.49 C ATOM 398 C PRO A 24 9.245 -3.287 -4.214 1.00 0.48 C ATOM 399 O PRO A 24 9.177 -4.449 -4.611 1.00 0.54 O ATOM 400 CB PRO A 24 11.189 -2.334 -2.990 1.00 0.51 C ATOM 401 CG PRO A 24 11.153 -0.906 -2.653 1.00 0.69 C ATOM 402 CD PRO A 24 10.588 -0.145 -3.776 1.00 0.46 C ATOM 0 HA PRO A 24 11.151 -3.046 -5.069 1.00 0.49 H new ATOM 0 HB2 PRO A 24 10.658 -2.919 -2.239 1.00 0.51 H new ATOM 0 HB3 PRO A 24 12.216 -2.698 -3.010 1.00 0.51 H new ATOM 0 HG2 PRO A 24 10.553 -0.749 -1.757 1.00 0.69 H new ATOM 0 HG3 PRO A 24 12.159 -0.550 -2.430 1.00 0.69 H new ATOM 0 HD2 PRO A 24 9.684 0.384 -3.475 1.00 0.46 H new ATOM 0 HD3 PRO A 24 11.292 0.606 -4.134 1.00 0.46 H new ATOM 410 N PHE A 25 8.216 -2.645 -3.665 1.00 0.46 N ATOM 411 CA PHE A 25 6.923 -3.295 -3.506 1.00 0.49 C ATOM 412 C PHE A 25 6.029 -3.088 -4.721 1.00 0.51 C ATOM 413 O PHE A 25 4.894 -3.566 -4.756 1.00 0.56 O ATOM 414 CB PHE A 25 6.226 -2.756 -2.268 1.00 0.51 C ATOM 415 CG PHE A 25 6.847 -3.215 -0.996 1.00 0.56 C ATOM 416 CD1 PHE A 25 7.258 -4.450 -0.769 1.00 1.22 C ATOM 417 CD2 PHE A 25 7.026 -2.397 -0.046 1.00 1.39 C ATOM 418 CE1 PHE A 25 7.811 -4.823 0.471 1.00 1.21 C ATOM 419 CE2 PHE A 25 7.551 -2.787 1.178 1.00 1.49 C ATOM 420 CZ PHE A 25 7.969 -3.966 1.376 1.00 0.75 C ATOM 0 H PHE A 25 8.254 -1.684 -3.326 1.00 0.46 H new ATOM 0 HA PHE A 25 7.103 -4.365 -3.400 1.00 0.49 H new ATOM 0 HB2 PHE A 25 6.239 -1.666 -2.298 1.00 0.51 H new ATOM 0 HB3 PHE A 25 5.180 -3.063 -2.285 1.00 0.51 H new ATOM 0 HD1 PHE A 25 7.168 -5.189 -1.551 1.00 1.22 H new ATOM 0 HD2 PHE A 25 6.761 -1.360 -0.193 1.00 1.39 H new ATOM 0 HE1 PHE A 25 8.100 -5.849 0.645 1.00 1.21 H new ATOM 0 HE2 PHE A 25 7.604 -2.067 1.982 1.00 1.49 H new ATOM 0 HZ PHE A 25 8.452 -4.230 2.305 1.00 0.75 H new ATOM 430 N TYR A 26 6.538 -2.369 -5.731 1.00 0.48 N ATOM 431 CA TYR A 26 5.770 -2.102 -6.950 1.00 0.52 C ATOM 432 C TYR A 26 5.612 -3.359 -7.757 1.00 0.51 C ATOM 433 O TYR A 26 4.511 -3.802 -8.065 1.00 0.54 O ATOM 434 CB TYR A 26 6.449 -1.013 -7.784 1.00 0.57 C ATOM 435 CG TYR A 26 5.495 -0.005 -8.356 1.00 0.69 C ATOM 436 CD1 TYR A 26 4.615 -0.325 -9.245 1.00 1.20 C ATOM 437 CD2 TYR A 26 5.474 1.234 -7.969 1.00 1.23 C ATOM 438 CE1 TYR A 26 3.731 0.576 -9.734 1.00 1.30 C ATOM 439 CE2 TYR A 26 4.578 2.116 -8.436 1.00 1.32 C ATOM 440 CZ TYR A 26 3.729 1.780 -9.306 1.00 0.96 C ATOM 441 OH TYR A 26 2.778 2.673 -9.693 1.00 1.10 O ATOM 0 H TYR A 26 7.474 -1.964 -5.726 1.00 0.48 H new ATOM 0 HA TYR A 26 4.780 -1.749 -6.663 1.00 0.52 H new ATOM 0 HB2 TYR A 26 7.180 -0.496 -7.163 1.00 0.57 H new ATOM 0 HB3 TYR A 26 6.999 -1.483 -8.600 1.00 0.57 H new ATOM 0 HD1 TYR A 26 4.583 -1.341 -9.609 1.00 1.20 H new ATOM 0 HD2 TYR A 26 6.204 1.566 -7.245 1.00 1.23 H new ATOM 0 HE1 TYR A 26 3.022 0.275 -10.491 1.00 1.30 H new ATOM 0 HE2 TYR A 26 4.584 3.129 -8.061 1.00 1.32 H new ATOM 0 HH TYR A 26 1.942 2.198 -9.885 1.00 1.10 H new ATOM 451 N LYS A 27 6.689 -3.951 -8.098 1.00 0.52 N ATOM 452 CA LYS A 27 6.602 -5.152 -8.829 1.00 0.56 C ATOM 453 C LYS A 27 6.070 -6.314 -8.128 1.00 0.55 C ATOM 454 O LYS A 27 6.409 -6.523 -6.968 1.00 0.65 O ATOM 455 CB LYS A 27 7.821 -5.599 -8.935 1.00 0.66 C ATOM 456 CG LYS A 27 8.352 -5.068 -9.939 1.00 1.56 C ATOM 457 CD LYS A 27 9.117 -6.070 -10.212 1.00 2.25 C ATOM 458 CE LYS A 27 10.098 -5.450 -10.664 1.00 3.12 C ATOM 459 NZ LYS A 27 10.884 -6.416 -11.062 1.00 4.04 N ATOM 0 H LYS A 27 7.633 -3.629 -7.886 1.00 0.52 H new ATOM 0 HA LYS A 27 6.003 -4.880 -9.698 1.00 0.56 H new ATOM 0 HB2 LYS A 27 8.391 -5.364 -8.036 1.00 0.66 H new ATOM 0 HB3 LYS A 27 7.819 -6.684 -9.036 1.00 0.66 H new ATOM 0 HG2 LYS A 27 7.644 -4.830 -10.733 1.00 1.56 H new ATOM 0 HG3 LYS A 27 8.897 -4.152 -9.712 1.00 1.56 H new ATOM 0 HD2 LYS A 27 9.363 -6.663 -9.332 1.00 2.25 H new ATOM 0 HD3 LYS A 27 8.676 -6.750 -10.941 1.00 2.25 H new ATOM 0 HE2 LYS A 27 9.818 -4.790 -11.485 1.00 3.12 H new ATOM 0 HE3 LYS A 27 10.571 -4.829 -9.903 1.00 3.12 H new ATOM 0 HZ1 LYS A 27 11.869 -6.181 -10.827 1.00 4.04 H new ATOM 0 HZ2 LYS A 27 10.616 -7.300 -10.585 1.00 4.04 H new ATOM 0 HZ3 LYS A 27 10.792 -6.536 -12.091 1.00 4.04 H new ATOM 473 N PRO A 28 5.344 -7.156 -8.830 1.00 0.62 N ATOM 474 CA PRO A 28 4.807 -8.346 -8.245 1.00 0.75 C ATOM 475 C PRO A 28 5.778 -9.495 -8.131 1.00 0.66 C ATOM 476 O PRO A 28 6.979 -9.343 -8.330 1.00 0.59 O ATOM 477 CB PRO A 28 3.693 -8.706 -9.197 1.00 0.93 C ATOM 478 CG PRO A 28 4.154 -8.235 -10.514 1.00 0.89 C ATOM 479 CD PRO A 28 5.019 -7.041 -10.261 1.00 0.75 C ATOM 0 HA PRO A 28 4.507 -8.166 -7.213 1.00 0.75 H new ATOM 0 HB2 PRO A 28 3.510 -9.781 -9.203 1.00 0.93 H new ATOM 0 HB3 PRO A 28 2.758 -8.225 -8.911 1.00 0.93 H new ATOM 0 HG2 PRO A 28 4.712 -9.015 -11.031 1.00 0.89 H new ATOM 0 HG3 PRO A 28 3.308 -7.973 -11.150 1.00 0.89 H new ATOM 0 HD2 PRO A 28 5.916 -7.056 -10.880 1.00 0.75 H new ATOM 0 HD3 PRO A 28 4.495 -6.111 -10.481 1.00 0.75 H new ATOM 487 N VAL A 29 5.229 -10.655 -7.809 1.00 0.81 N ATOM 488 CA VAL A 29 6.028 -11.834 -7.665 1.00 0.84 C ATOM 489 C VAL A 29 5.543 -12.950 -8.540 1.00 0.77 C ATOM 490 O VAL A 29 4.691 -13.752 -8.141 1.00 0.92 O ATOM 491 CB VAL A 29 5.993 -12.326 -6.245 1.00 1.14 C ATOM 492 CG1 VAL A 29 6.907 -13.452 -6.058 1.00 1.40 C ATOM 493 CG2 VAL A 29 6.325 -11.267 -5.303 1.00 1.38 C ATOM 0 H VAL A 29 4.232 -10.793 -7.645 1.00 0.81 H new ATOM 0 HA VAL A 29 7.041 -11.556 -7.956 1.00 0.84 H new ATOM 0 HB VAL A 29 4.973 -12.657 -6.048 1.00 1.14 H new ATOM 0 HG11 VAL A 29 6.862 -13.789 -5.022 1.00 1.40 H new ATOM 0 HG12 VAL A 29 6.617 -14.269 -6.718 1.00 1.40 H new ATOM 0 HG13 VAL A 29 7.924 -13.138 -6.294 1.00 1.40 H new ATOM 0 HG21 VAL A 29 6.290 -11.660 -4.287 1.00 1.38 H new ATOM 0 HG22 VAL A 29 7.327 -10.894 -5.513 1.00 1.38 H new ATOM 0 HG23 VAL A 29 5.607 -10.453 -5.403 1.00 1.38 H new ATOM 503 N ASP A 30 6.093 -13.008 -9.715 1.00 0.72 N ATOM 504 CA ASP A 30 5.725 -14.039 -10.649 1.00 0.82 C ATOM 505 C ASP A 30 6.343 -15.351 -10.288 1.00 0.79 C ATOM 506 O ASP A 30 7.379 -15.730 -10.829 1.00 0.88 O ATOM 507 CB ASP A 30 6.187 -13.673 -12.027 1.00 1.03 C ATOM 508 CG ASP A 30 5.477 -12.493 -12.519 1.00 1.40 C ATOM 509 OD1 ASP A 30 4.195 -12.556 -12.485 1.00 2.14 O ATOM 510 OD2 ASP A 30 6.207 -11.537 -12.966 1.00 1.76 O ATOM 0 H ASP A 30 6.799 -12.355 -10.054 1.00 0.72 H new ATOM 0 HA ASP A 30 4.639 -14.131 -10.617 1.00 0.82 H new ATOM 0 HB2 ASP A 30 7.259 -13.479 -12.016 1.00 1.03 H new ATOM 0 HB3 ASP A 30 6.022 -14.511 -12.705 1.00 1.03 H new ATOM 515 N ALA A 31 5.708 -16.052 -9.389 1.00 0.80 N ATOM 516 CA ALA A 31 6.204 -17.343 -8.966 1.00 0.88 C ATOM 517 C ALA A 31 6.229 -18.323 -10.116 1.00 1.06 C ATOM 518 O ALA A 31 7.060 -19.226 -10.158 1.00 1.19 O ATOM 519 CB ALA A 31 5.334 -17.871 -7.872 1.00 0.98 C ATOM 0 H ALA A 31 4.846 -15.755 -8.932 1.00 0.80 H new ATOM 0 HA ALA A 31 7.225 -17.220 -8.605 1.00 0.88 H new ATOM 0 HB1 ALA A 31 5.704 -18.844 -7.550 1.00 0.98 H new ATOM 0 HB2 ALA A 31 5.350 -17.180 -7.029 1.00 0.98 H new ATOM 0 HB3 ALA A 31 4.312 -17.974 -8.237 1.00 0.98 H new ATOM 525 N SER A 32 5.317 -18.142 -11.041 1.00 1.13 N ATOM 526 CA SER A 32 5.225 -19.000 -12.185 1.00 1.34 C ATOM 527 C SER A 32 6.351 -18.749 -13.144 1.00 1.42 C ATOM 528 O SER A 32 6.916 -19.672 -13.731 1.00 1.61 O ATOM 529 CB SER A 32 3.916 -18.696 -12.879 1.00 1.49 C ATOM 530 OG SER A 32 2.987 -19.683 -12.635 1.00 2.07 O ATOM 0 H SER A 32 4.622 -17.396 -11.017 1.00 1.13 H new ATOM 0 HA SER A 32 5.280 -20.040 -11.863 1.00 1.34 H new ATOM 0 HB2 SER A 32 3.531 -17.736 -12.534 1.00 1.49 H new ATOM 0 HB3 SER A 32 4.082 -18.605 -13.952 1.00 1.49 H new ATOM 0 HG SER A 32 2.149 -19.463 -13.093 1.00 2.07 H new ATOM 536 N ALA A 33 6.665 -17.500 -13.318 1.00 1.37 N ATOM 537 CA ALA A 33 7.711 -17.132 -14.221 1.00 1.57 C ATOM 538 C ALA A 33 9.050 -17.318 -13.581 1.00 1.56 C ATOM 539 O ALA A 33 9.921 -17.991 -14.115 1.00 1.85 O ATOM 540 CB ALA A 33 7.514 -15.706 -14.616 1.00 1.63 C ATOM 0 H ALA A 33 6.210 -16.719 -12.845 1.00 1.37 H new ATOM 0 HA ALA A 33 7.676 -17.770 -15.104 1.00 1.57 H new ATOM 0 HB1 ALA A 33 8.303 -15.407 -15.306 1.00 1.63 H new ATOM 0 HB2 ALA A 33 6.545 -15.594 -15.103 1.00 1.63 H new ATOM 0 HB3 ALA A 33 7.549 -15.074 -13.728 1.00 1.63 H new ATOM 546 N LEU A 34 9.217 -16.717 -12.438 1.00 1.35 N ATOM 547 CA LEU A 34 10.459 -16.823 -11.745 1.00 1.42 C ATOM 548 C LEU A 34 10.727 -18.145 -11.256 1.00 1.36 C ATOM 549 O LEU A 34 11.705 -18.792 -11.618 1.00 1.83 O ATOM 550 CB LEU A 34 10.449 -15.948 -10.556 1.00 1.42 C ATOM 551 CG LEU A 34 11.329 -14.899 -10.872 1.00 1.72 C ATOM 552 CD1 LEU A 34 10.839 -13.646 -10.801 1.00 2.13 C ATOM 553 CD2 LEU A 34 12.479 -14.720 -10.144 1.00 2.13 C ATOM 0 H LEU A 34 8.508 -16.151 -11.971 1.00 1.35 H new ATOM 0 HA LEU A 34 11.220 -16.543 -12.473 1.00 1.42 H new ATOM 0 HB2 LEU A 34 9.446 -15.574 -10.349 1.00 1.42 H new ATOM 0 HB3 LEU A 34 10.778 -16.486 -9.667 1.00 1.42 H new ATOM 0 HG LEU A 34 11.518 -15.288 -11.873 1.00 1.72 H new ATOM 0 HD11 LEU A 34 11.620 -12.934 -11.069 1.00 2.13 H new ATOM 0 HD12 LEU A 34 10.002 -13.543 -11.491 1.00 2.13 H new ATOM 0 HD13 LEU A 34 10.498 -13.446 -9.785 1.00 2.13 H new ATOM 0 HD21 LEU A 34 13.028 -13.863 -10.535 1.00 2.13 H new ATOM 0 HD22 LEU A 34 12.224 -14.542 -9.099 1.00 2.13 H new ATOM 0 HD23 LEU A 34 13.100 -15.613 -10.219 1.00 2.13 H new ATOM 565 N GLY A 35 9.879 -18.539 -10.401 1.00 1.08 N ATOM 566 CA GLY A 35 10.068 -19.804 -9.871 1.00 1.35 C ATOM 567 C GLY A 35 10.083 -19.847 -8.393 1.00 1.25 C ATOM 568 O GLY A 35 11.096 -20.168 -7.780 1.00 1.75 O ATOM 0 H GLY A 35 9.070 -18.017 -10.064 1.00 1.08 H new ATOM 0 HA2 GLY A 35 9.277 -20.460 -10.234 1.00 1.35 H new ATOM 0 HA3 GLY A 35 11.010 -20.205 -10.244 1.00 1.35 H new ATOM 572 N LEU A 36 8.972 -19.553 -7.819 1.00 0.88 N ATOM 573 CA LEU A 36 8.858 -19.598 -6.400 1.00 0.79 C ATOM 574 C LEU A 36 7.650 -20.347 -6.013 1.00 0.76 C ATOM 575 O LEU A 36 6.591 -19.767 -5.821 1.00 0.81 O ATOM 576 CB LEU A 36 8.781 -18.196 -5.876 1.00 0.79 C ATOM 577 CG LEU A 36 10.136 -17.643 -5.827 1.00 1.08 C ATOM 578 CD1 LEU A 36 10.362 -16.179 -5.954 1.00 1.50 C ATOM 579 CD2 LEU A 36 10.717 -17.783 -4.557 1.00 1.72 C ATOM 0 H LEU A 36 8.122 -19.277 -8.311 1.00 0.88 H new ATOM 0 HA LEU A 36 9.728 -20.102 -5.978 1.00 0.79 H new ATOM 0 HB2 LEU A 36 8.146 -17.586 -6.518 1.00 0.79 H new ATOM 0 HB3 LEU A 36 8.332 -18.187 -4.883 1.00 0.79 H new ATOM 0 HG LEU A 36 10.527 -18.195 -6.682 1.00 1.08 H new ATOM 0 HD11 LEU A 36 11.430 -15.969 -5.893 1.00 1.50 H new ATOM 0 HD12 LEU A 36 9.978 -15.834 -6.914 1.00 1.50 H new ATOM 0 HD13 LEU A 36 9.844 -15.660 -5.148 1.00 1.50 H new ATOM 0 HD21 LEU A 36 11.721 -17.359 -4.568 1.00 1.72 H new ATOM 0 HD22 LEU A 36 10.110 -17.259 -3.819 1.00 1.72 H new ATOM 0 HD23 LEU A 36 10.772 -18.840 -4.297 1.00 1.72 H new ATOM 591 N HIS A 37 7.796 -21.621 -5.901 1.00 0.84 N ATOM 592 CA HIS A 37 6.711 -22.436 -5.536 1.00 0.93 C ATOM 593 C HIS A 37 6.295 -22.306 -4.105 1.00 0.91 C ATOM 594 O HIS A 37 5.116 -22.392 -3.757 1.00 0.97 O ATOM 595 CB HIS A 37 7.172 -23.784 -5.756 1.00 1.16 C ATOM 596 CG HIS A 37 6.442 -24.291 -6.597 1.00 1.56 C ATOM 597 ND1 HIS A 37 6.956 -25.039 -7.497 1.00 2.13 N ATOM 598 CD2 HIS A 37 5.284 -24.502 -6.487 1.00 2.37 C ATOM 599 CE1 HIS A 37 6.097 -25.729 -7.977 1.00 2.76 C ATOM 600 NE2 HIS A 37 5.055 -25.448 -7.398 1.00 2.89 N ATOM 0 H HIS A 37 8.672 -22.118 -6.061 1.00 0.84 H new ATOM 0 HA HIS A 37 5.837 -22.148 -6.120 1.00 0.93 H new ATOM 0 HB2 HIS A 37 8.207 -23.784 -6.097 1.00 1.16 H new ATOM 0 HB3 HIS A 37 7.142 -24.355 -4.828 1.00 1.16 H new ATOM 0 HD2 HIS A 37 4.580 -24.039 -5.811 1.00 2.37 H new ATOM 0 HE1 HIS A 37 6.220 -26.456 -8.766 1.00 2.76 H new ATOM 0 HE2 HIS A 37 4.147 -25.874 -7.585 1.00 2.89 H new ATOM 609 N ASP A 38 7.263 -22.105 -3.282 1.00 0.91 N ATOM 610 CA ASP A 38 7.025 -21.944 -1.877 1.00 0.96 C ATOM 611 C ASP A 38 6.280 -20.660 -1.571 1.00 0.86 C ATOM 612 O ASP A 38 5.599 -20.555 -0.554 1.00 1.04 O ATOM 613 CB ASP A 38 8.354 -21.806 -1.240 1.00 1.08 C ATOM 614 CG ASP A 38 8.758 -22.803 -0.296 1.00 1.48 C ATOM 615 OD1 ASP A 38 8.077 -23.891 -0.194 1.00 1.98 O ATOM 616 OD2 ASP A 38 9.834 -22.475 0.313 1.00 2.22 O ATOM 0 H ASP A 38 8.244 -22.046 -3.556 1.00 0.91 H new ATOM 0 HA ASP A 38 6.439 -22.792 -1.521 1.00 0.96 H new ATOM 0 HB2 ASP A 38 9.102 -21.776 -2.033 1.00 1.08 H new ATOM 0 HB3 ASP A 38 8.383 -20.840 -0.737 1.00 1.08 H new ATOM 621 N TYR A 39 6.447 -19.681 -2.436 1.00 0.66 N ATOM 622 CA TYR A 39 5.805 -18.404 -2.252 1.00 0.61 C ATOM 623 C TYR A 39 4.287 -18.546 -2.384 1.00 0.59 C ATOM 624 O TYR A 39 3.521 -17.906 -1.668 1.00 0.68 O ATOM 625 CB TYR A 39 6.344 -17.419 -3.277 1.00 0.64 C ATOM 626 CG TYR A 39 6.053 -16.001 -2.914 1.00 0.66 C ATOM 627 CD1 TYR A 39 4.896 -15.546 -3.104 1.00 1.55 C ATOM 628 CD2 TYR A 39 6.918 -15.151 -2.427 1.00 1.15 C ATOM 629 CE1 TYR A 39 4.548 -14.252 -2.809 1.00 1.69 C ATOM 630 CE2 TYR A 39 6.549 -13.848 -2.093 1.00 1.15 C ATOM 631 CZ TYR A 39 5.395 -13.456 -2.298 1.00 0.92 C ATOM 632 OH TYR A 39 5.007 -12.262 -1.828 1.00 1.11 O ATOM 0 H TYR A 39 7.024 -19.749 -3.274 1.00 0.66 H new ATOM 0 HA TYR A 39 6.021 -18.031 -1.251 1.00 0.61 H new ATOM 0 HB2 TYR A 39 7.422 -17.552 -3.373 1.00 0.64 H new ATOM 0 HB3 TYR A 39 5.908 -17.638 -4.251 1.00 0.64 H new ATOM 0 HD1 TYR A 39 4.144 -16.202 -3.517 1.00 1.55 H new ATOM 0 HD2 TYR A 39 7.941 -15.464 -2.280 1.00 1.15 H new ATOM 0 HE1 TYR A 39 3.545 -13.908 -3.013 1.00 1.69 H new ATOM 0 HE2 TYR A 39 7.274 -13.179 -1.654 1.00 1.15 H new ATOM 0 HH TYR A 39 5.784 -11.783 -1.471 1.00 1.11 H new ATOM 642 N HIS A 40 3.857 -19.412 -3.296 1.00 0.57 N ATOM 643 CA HIS A 40 2.441 -19.647 -3.511 1.00 0.63 C ATOM 644 C HIS A 40 1.867 -20.608 -2.487 1.00 0.70 C ATOM 645 O HIS A 40 0.672 -20.585 -2.196 1.00 0.80 O ATOM 646 CB HIS A 40 2.227 -20.187 -4.912 1.00 0.73 C ATOM 647 CG HIS A 40 0.927 -19.815 -5.476 1.00 0.90 C ATOM 648 ND1 HIS A 40 -0.107 -20.652 -5.513 1.00 1.37 N ATOM 649 CD2 HIS A 40 0.498 -18.700 -6.024 1.00 1.17 C ATOM 650 CE1 HIS A 40 -1.128 -20.063 -6.067 1.00 1.43 C ATOM 651 NE2 HIS A 40 -0.787 -18.890 -6.381 1.00 1.26 N ATOM 0 H HIS A 40 4.472 -19.961 -3.896 1.00 0.57 H new ATOM 0 HA HIS A 40 1.918 -18.698 -3.396 1.00 0.63 H new ATOM 0 HB2 HIS A 40 3.019 -19.817 -5.563 1.00 0.73 H new ATOM 0 HB3 HIS A 40 2.311 -21.274 -4.894 1.00 0.73 H new ATOM 0 HD2 HIS A 40 1.072 -17.796 -6.163 1.00 1.17 H new ATOM 0 HE1 HIS A 40 -2.100 -20.504 -6.230 1.00 1.43 H new ATOM 0 HE2 HIS A 40 -1.386 -18.198 -6.832 1.00 1.26 H new ATOM 660 N ASP A 41 2.718 -21.449 -1.940 1.00 0.75 N ATOM 661 CA ASP A 41 2.285 -22.406 -0.949 1.00 0.87 C ATOM 662 C ASP A 41 2.041 -21.759 0.390 1.00 0.87 C ATOM 663 O ASP A 41 1.039 -22.033 1.045 1.00 0.97 O ATOM 664 CB ASP A 41 3.346 -23.451 -0.781 1.00 1.02 C ATOM 665 CG ASP A 41 2.930 -24.791 -1.197 1.00 1.45 C ATOM 666 OD1 ASP A 41 1.795 -25.241 -0.780 1.00 1.98 O ATOM 667 OD2 ASP A 41 3.794 -25.395 -1.918 1.00 2.02 O ATOM 0 H ASP A 41 3.712 -21.488 -2.165 1.00 0.75 H new ATOM 0 HA ASP A 41 1.349 -22.843 -1.297 1.00 0.87 H new ATOM 0 HB2 ASP A 41 4.224 -23.159 -1.357 1.00 1.02 H new ATOM 0 HB3 ASP A 41 3.648 -23.484 0.266 1.00 1.02 H new ATOM 672 N ILE A 42 2.969 -20.915 0.802 1.00 0.83 N ATOM 673 CA ILE A 42 2.854 -20.237 2.075 1.00 0.87 C ATOM 674 C ILE A 42 1.878 -19.080 1.991 1.00 0.83 C ATOM 675 O ILE A 42 0.916 -19.010 2.758 1.00 0.98 O ATOM 676 CB ILE A 42 4.212 -19.709 2.545 1.00 0.91 C ATOM 677 CG1 ILE A 42 5.252 -20.826 2.488 1.00 0.99 C ATOM 678 CG2 ILE A 42 4.109 -19.159 3.949 1.00 1.01 C ATOM 679 CD1 ILE A 42 6.648 -20.333 2.378 1.00 0.98 C ATOM 0 H ILE A 42 3.810 -20.684 0.272 1.00 0.83 H new ATOM 0 HA ILE A 42 2.485 -20.969 2.794 1.00 0.87 H new ATOM 0 HB ILE A 42 4.523 -18.901 1.882 1.00 0.91 H new ATOM 0 HG12 ILE A 42 5.162 -21.441 3.384 1.00 0.99 H new ATOM 0 HG13 ILE A 42 5.035 -21.470 1.636 1.00 0.99 H new ATOM 0 HG21 ILE A 42 5.083 -18.788 4.267 1.00 1.01 H new ATOM 0 HG22 ILE A 42 3.386 -18.343 3.968 1.00 1.01 H new ATOM 0 HG23 ILE A 42 3.783 -19.949 4.626 1.00 1.01 H new ATOM 0 HD11 ILE A 42 7.332 -21.181 2.342 1.00 0.98 H new ATOM 0 HD12 ILE A 42 6.755 -19.743 1.468 1.00 0.98 H new ATOM 0 HD13 ILE A 42 6.884 -19.713 3.243 1.00 0.98 H new ATOM 691 N ILE A 43 2.130 -18.177 1.063 1.00 0.68 N ATOM 692 CA ILE A 43 1.271 -17.025 0.887 1.00 0.67 C ATOM 693 C ILE A 43 -0.039 -17.407 0.249 1.00 0.64 C ATOM 694 O ILE A 43 -1.100 -17.285 0.865 1.00 0.75 O ATOM 695 CB ILE A 43 1.930 -15.957 0.006 1.00 0.64 C ATOM 696 CG1 ILE A 43 3.352 -15.797 0.400 1.00 0.76 C ATOM 697 CG2 ILE A 43 1.123 -14.693 0.020 1.00 0.73 C ATOM 698 CD1 ILE A 43 3.695 -14.879 1.359 1.00 1.03 C ATOM 0 H ILE A 43 2.921 -18.220 0.421 1.00 0.68 H new ATOM 0 HA ILE A 43 1.096 -16.623 1.885 1.00 0.67 H new ATOM 0 HB ILE A 43 1.942 -16.269 -1.038 1.00 0.64 H new ATOM 0 HG12 ILE A 43 3.706 -16.770 0.740 1.00 0.76 H new ATOM 0 HG13 ILE A 43 3.913 -15.551 -0.501 1.00 0.76 H new ATOM 0 HG21 ILE A 43 1.606 -13.946 -0.610 1.00 0.73 H new ATOM 0 HG22 ILE A 43 0.122 -14.896 -0.360 1.00 0.73 H new ATOM 0 HG23 ILE A 43 1.054 -14.316 1.041 1.00 0.73 H new ATOM 0 HD11 ILE A 43 4.773 -14.902 1.516 1.00 1.03 H new ATOM 0 HD12 ILE A 43 3.397 -13.883 1.032 1.00 1.03 H new ATOM 0 HD13 ILE A 43 3.187 -15.121 2.293 1.00 1.03 H new ATOM 710 N LYS A 44 0.041 -17.854 -0.997 1.00 0.58 N ATOM 711 CA LYS A 44 -1.123 -18.239 -1.738 1.00 0.66 C ATOM 712 C LYS A 44 -1.882 -17.068 -2.334 1.00 0.65 C ATOM 713 O LYS A 44 -2.620 -17.230 -3.313 1.00 0.74 O ATOM 714 CB LYS A 44 -2.038 -19.010 -0.898 1.00 0.80 C ATOM 715 CG LYS A 44 -2.745 -19.896 -1.794 1.00 1.00 C ATOM 716 CD LYS A 44 -3.254 -20.778 -0.967 1.00 1.37 C ATOM 717 CE LYS A 44 -3.815 -21.723 -1.707 1.00 1.73 C ATOM 718 NZ LYS A 44 -5.080 -21.801 -1.380 1.00 2.41 N ATOM 0 H LYS A 44 0.917 -17.955 -1.509 1.00 0.58 H new ATOM 0 HA LYS A 44 -0.752 -18.846 -2.564 1.00 0.66 H new ATOM 0 HB2 LYS A 44 -1.493 -19.574 -0.141 1.00 0.80 H new ATOM 0 HB3 LYS A 44 -2.730 -18.354 -0.370 1.00 0.80 H new ATOM 0 HG2 LYS A 44 -3.518 -19.373 -2.358 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -2.077 -20.358 -2.521 1.00 1.00 H new ATOM 0 HD2 LYS A 44 -2.479 -21.199 -0.327 1.00 1.37 H new ATOM 0 HD3 LYS A 44 -3.991 -20.313 -0.312 1.00 1.37 H new ATOM 0 HE2 LYS A 44 -3.710 -21.489 -2.766 1.00 1.73 H new ATOM 0 HE3 LYS A 44 -3.320 -22.680 -1.541 1.00 1.73 H new ATOM 0 HZ1 LYS A 44 -5.541 -22.539 -1.950 1.00 2.41 H new ATOM 0 HZ2 LYS A 44 -5.164 -22.040 -0.371 1.00 2.41 H new ATOM 0 HZ3 LYS A 44 -5.542 -20.886 -1.558 1.00 2.41 H new ATOM 732 N HIS A 45 -1.709 -15.900 -1.742 1.00 0.60 N ATOM 733 CA HIS A 45 -2.367 -14.704 -2.207 1.00 0.63 C ATOM 734 C HIS A 45 -1.403 -13.557 -2.348 1.00 0.64 C ATOM 735 O HIS A 45 -1.418 -12.617 -1.552 1.00 0.68 O ATOM 736 CB HIS A 45 -3.403 -14.295 -1.211 1.00 0.73 C ATOM 737 CG HIS A 45 -4.627 -14.379 -1.720 1.00 1.19 C ATOM 738 ND1 HIS A 45 -5.425 -13.377 -1.802 1.00 1.73 N ATOM 739 CD2 HIS A 45 -5.233 -15.384 -2.085 1.00 2.00 C ATOM 740 CE1 HIS A 45 -6.524 -13.794 -2.220 1.00 2.22 C ATOM 741 NE2 HIS A 45 -6.423 -15.011 -2.394 1.00 2.37 N ATOM 0 H HIS A 45 -1.110 -15.759 -0.929 1.00 0.60 H new ATOM 0 HA HIS A 45 -2.805 -14.928 -3.179 1.00 0.63 H new ATOM 0 HB2 HIS A 45 -3.331 -14.930 -0.328 1.00 0.73 H new ATOM 0 HB3 HIS A 45 -3.213 -13.272 -0.885 1.00 0.73 H new ATOM 0 HD2 HIS A 45 -4.840 -16.389 -2.136 1.00 2.00 H new ATOM 0 HE1 HIS A 45 -7.406 -13.196 -2.398 1.00 2.22 H new ATOM 0 HE2 HIS A 45 -7.166 -15.624 -2.730 1.00 2.37 H new ATOM 750 N PRO A 46 -0.555 -13.611 -3.353 1.00 0.71 N ATOM 751 CA PRO A 46 0.424 -12.579 -3.591 1.00 0.78 C ATOM 752 C PRO A 46 -0.197 -11.270 -3.998 1.00 0.67 C ATOM 753 O PRO A 46 -0.994 -11.197 -4.937 1.00 0.98 O ATOM 754 CB PRO A 46 1.253 -13.081 -4.738 1.00 1.02 C ATOM 755 CG PRO A 46 0.615 -14.294 -5.242 1.00 0.94 C ATOM 756 CD PRO A 46 -0.486 -14.688 -4.328 1.00 0.83 C ATOM 0 HA PRO A 46 0.990 -12.390 -2.679 1.00 0.78 H new ATOM 0 HB2 PRO A 46 1.318 -12.327 -5.523 1.00 1.02 H new ATOM 0 HB3 PRO A 46 2.272 -13.291 -4.412 1.00 1.02 H new ATOM 0 HG2 PRO A 46 0.226 -14.123 -6.246 1.00 0.94 H new ATOM 0 HG3 PRO A 46 1.346 -15.099 -5.316 1.00 0.94 H new ATOM 0 HD2 PRO A 46 -1.428 -14.797 -4.866 1.00 0.83 H new ATOM 0 HD3 PRO A 46 -0.280 -15.645 -3.848 1.00 0.83 H new ATOM 764 N MET A 47 0.180 -10.241 -3.309 1.00 0.61 N ATOM 765 CA MET A 47 -0.331 -8.937 -3.606 1.00 0.65 C ATOM 766 C MET A 47 0.792 -7.951 -3.813 1.00 0.65 C ATOM 767 O MET A 47 1.794 -7.985 -3.101 1.00 0.83 O ATOM 768 CB MET A 47 -1.160 -8.492 -2.444 1.00 0.83 C ATOM 769 CG MET A 47 -2.580 -8.675 -2.576 1.00 1.02 C ATOM 770 SD MET A 47 -3.358 -7.165 -2.150 1.00 1.53 S ATOM 771 CE MET A 47 -3.966 -6.767 -3.741 1.00 1.43 C ATOM 0 H MET A 47 0.842 -10.276 -2.534 1.00 0.61 H new ATOM 0 HA MET A 47 -0.922 -8.981 -4.521 1.00 0.65 H new ATOM 0 HB2 MET A 47 -0.825 -9.030 -1.557 1.00 0.83 H new ATOM 0 HB3 MET A 47 -0.965 -7.434 -2.268 1.00 0.83 H new ATOM 0 HG2 MET A 47 -2.835 -8.961 -3.596 1.00 1.02 H new ATOM 0 HG3 MET A 47 -2.924 -9.479 -1.925 1.00 1.02 H new ATOM 0 HE1 MET A 47 -4.506 -5.821 -3.698 1.00 1.43 H new ATOM 0 HE2 MET A 47 -3.132 -6.677 -4.437 1.00 1.43 H new ATOM 0 HE3 MET A 47 -4.639 -7.554 -4.081 1.00 1.43 H new ATOM 781 N ASP A 48 0.615 -7.069 -4.774 1.00 0.60 N ATOM 782 CA ASP A 48 1.622 -6.062 -5.065 1.00 0.62 C ATOM 783 C ASP A 48 0.975 -4.715 -5.325 1.00 0.60 C ATOM 784 O ASP A 48 -0.233 -4.624 -5.551 1.00 0.59 O ATOM 785 CB ASP A 48 2.449 -6.483 -6.275 1.00 0.65 C ATOM 786 CG ASP A 48 1.578 -6.846 -7.454 1.00 0.65 C ATOM 787 OD1 ASP A 48 1.060 -8.027 -7.446 1.00 1.16 O ATOM 788 OD2 ASP A 48 1.415 -5.960 -8.377 1.00 1.32 O ATOM 0 H ASP A 48 -0.213 -7.026 -5.367 1.00 0.60 H new ATOM 0 HA ASP A 48 2.276 -5.970 -4.198 1.00 0.62 H new ATOM 0 HB2 ASP A 48 3.120 -5.672 -6.556 1.00 0.65 H new ATOM 0 HB3 ASP A 48 3.074 -7.336 -6.009 1.00 0.65 H new ATOM 793 N LEU A 49 1.790 -3.676 -5.307 1.00 0.62 N ATOM 794 CA LEU A 49 1.320 -2.338 -5.557 1.00 0.63 C ATOM 795 C LEU A 49 0.776 -2.179 -6.958 1.00 0.62 C ATOM 796 O LEU A 49 -0.184 -1.435 -7.193 1.00 0.63 O ATOM 797 CB LEU A 49 2.446 -1.367 -5.340 1.00 0.68 C ATOM 798 CG LEU A 49 2.061 -0.427 -4.308 1.00 0.80 C ATOM 799 CD1 LEU A 49 2.768 -0.489 -3.133 1.00 1.29 C ATOM 800 CD2 LEU A 49 2.303 0.885 -4.626 1.00 1.44 C ATOM 0 H LEU A 49 2.790 -3.742 -5.119 1.00 0.62 H new ATOM 0 HA LEU A 49 0.504 -2.135 -4.863 1.00 0.63 H new ATOM 0 HB2 LEU A 49 3.351 -1.899 -5.047 1.00 0.68 H new ATOM 0 HB3 LEU A 49 2.672 -0.839 -6.266 1.00 0.68 H new ATOM 0 HG LEU A 49 1.014 -0.714 -4.211 1.00 0.80 H new ATOM 0 HD11 LEU A 49 2.389 0.262 -2.440 1.00 1.29 H new ATOM 0 HD12 LEU A 49 2.655 -1.480 -2.692 1.00 1.29 H new ATOM 0 HD13 LEU A 49 3.823 -0.299 -3.332 1.00 1.29 H new ATOM 0 HD21 LEU A 49 1.987 1.524 -3.801 1.00 1.44 H new ATOM 0 HD22 LEU A 49 3.369 1.025 -4.805 1.00 1.44 H new ATOM 0 HD23 LEU A 49 1.746 1.150 -5.525 1.00 1.44 H new ATOM 812 N SER A 50 1.394 -2.881 -7.886 1.00 0.62 N ATOM 813 CA SER A 50 0.975 -2.833 -9.265 1.00 0.64 C ATOM 814 C SER A 50 -0.465 -3.260 -9.440 1.00 0.63 C ATOM 815 O SER A 50 -1.197 -2.683 -10.245 1.00 0.66 O ATOM 816 CB SER A 50 1.887 -3.661 -10.121 1.00 0.68 C ATOM 817 OG SER A 50 2.523 -2.748 -10.974 1.00 0.79 O ATOM 0 H SER A 50 2.190 -3.492 -7.706 1.00 0.62 H new ATOM 0 HA SER A 50 1.039 -1.794 -9.588 1.00 0.64 H new ATOM 0 HB2 SER A 50 2.612 -4.203 -9.514 1.00 0.68 H new ATOM 0 HB3 SER A 50 1.327 -4.405 -10.688 1.00 0.68 H new ATOM 0 HG SER A 50 3.140 -3.228 -11.565 1.00 0.79 H new ATOM 823 N THR A 51 -0.866 -4.256 -8.681 1.00 0.61 N ATOM 824 CA THR A 51 -2.231 -4.750 -8.739 1.00 0.62 C ATOM 825 C THR A 51 -3.200 -3.792 -8.099 1.00 0.58 C ATOM 826 O THR A 51 -4.323 -3.640 -8.569 1.00 0.61 O ATOM 827 CB THR A 51 -2.290 -6.092 -8.079 1.00 0.65 C ATOM 828 OG1 THR A 51 -1.314 -6.878 -8.719 1.00 0.71 O ATOM 829 CG2 THR A 51 -3.626 -6.784 -8.204 1.00 0.69 C ATOM 0 H THR A 51 -0.267 -4.743 -8.014 1.00 0.61 H new ATOM 0 HA THR A 51 -2.527 -4.842 -9.784 1.00 0.62 H new ATOM 0 HB THR A 51 -2.124 -5.961 -7.010 1.00 0.65 H new ATOM 0 HG1 THR A 51 -1.306 -7.775 -8.324 1.00 0.71 H new ATOM 0 HG21 THR A 51 -3.584 -7.749 -7.699 1.00 0.69 H new ATOM 0 HG22 THR A 51 -4.399 -6.168 -7.745 1.00 0.69 H new ATOM 0 HG23 THR A 51 -3.860 -6.935 -9.258 1.00 0.69 H new ATOM 837 N VAL A 52 -2.752 -3.137 -7.040 1.00 0.56 N ATOM 838 CA VAL A 52 -3.580 -2.170 -6.346 1.00 0.56 C ATOM 839 C VAL A 52 -3.907 -0.983 -7.238 1.00 0.54 C ATOM 840 O VAL A 52 -5.010 -0.435 -7.177 1.00 0.54 O ATOM 841 CB VAL A 52 -2.896 -1.659 -5.072 1.00 0.63 C ATOM 842 CG1 VAL A 52 -3.843 -0.788 -4.283 1.00 0.67 C ATOM 843 CG2 VAL A 52 -2.406 -2.817 -4.234 1.00 0.69 C ATOM 0 H VAL A 52 -1.820 -3.259 -6.644 1.00 0.56 H new ATOM 0 HA VAL A 52 -4.502 -2.684 -6.076 1.00 0.56 H new ATOM 0 HB VAL A 52 -2.033 -1.057 -5.356 1.00 0.63 H new ATOM 0 HG11 VAL A 52 -3.344 -0.432 -3.381 1.00 0.67 H new ATOM 0 HG12 VAL A 52 -4.145 0.065 -4.891 1.00 0.67 H new ATOM 0 HG13 VAL A 52 -4.724 -1.367 -4.006 1.00 0.67 H new ATOM 0 HG21 VAL A 52 -1.923 -2.436 -3.334 1.00 0.69 H new ATOM 0 HG22 VAL A 52 -3.251 -3.447 -3.954 1.00 0.69 H new ATOM 0 HG23 VAL A 52 -1.690 -3.405 -4.809 1.00 0.69 H new ATOM 853 N LYS A 53 -2.947 -0.596 -8.064 1.00 0.57 N ATOM 854 CA LYS A 53 -3.134 0.510 -8.966 1.00 0.61 C ATOM 855 C LYS A 53 -4.230 0.233 -9.978 1.00 0.59 C ATOM 856 O LYS A 53 -5.042 1.106 -10.300 1.00 0.60 O ATOM 857 CB LYS A 53 -1.865 0.802 -9.703 1.00 0.70 C ATOM 858 CG LYS A 53 -2.030 2.073 -10.397 1.00 0.81 C ATOM 859 CD LYS A 53 -0.874 2.767 -10.381 1.00 1.27 C ATOM 860 CE LYS A 53 -1.368 3.992 -11.002 1.00 1.35 C ATOM 861 NZ LYS A 53 -0.415 4.696 -11.637 1.00 2.05 N ATOM 0 H LYS A 53 -2.030 -1.039 -8.122 1.00 0.57 H new ATOM 0 HA LYS A 53 -3.424 1.369 -8.361 1.00 0.61 H new ATOM 0 HB2 LYS A 53 -1.025 0.852 -9.010 1.00 0.70 H new ATOM 0 HB3 LYS A 53 -1.645 0.005 -10.414 1.00 0.70 H new ATOM 0 HG2 LYS A 53 -2.342 1.896 -11.426 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -2.819 2.656 -9.921 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -0.487 2.926 -9.375 1.00 1.27 H new ATOM 0 HD3 LYS A 53 -0.081 2.288 -10.956 1.00 1.27 H new ATOM 0 HE2 LYS A 53 -2.154 3.738 -11.713 1.00 1.35 H new ATOM 0 HE3 LYS A 53 -1.822 4.620 -10.236 1.00 1.35 H new ATOM 0 HZ1 LYS A 53 -0.835 5.551 -12.054 1.00 2.05 H new ATOM 0 HZ2 LYS A 53 0.325 4.969 -10.959 1.00 2.05 H new ATOM 0 HZ3 LYS A 53 0.003 4.113 -12.390 1.00 2.05 H new ATOM 875 N ARG A 54 -4.248 -0.979 -10.472 1.00 0.62 N ATOM 876 CA ARG A 54 -5.239 -1.376 -11.427 1.00 0.65 C ATOM 877 C ARG A 54 -6.640 -1.362 -10.854 1.00 0.59 C ATOM 878 O ARG A 54 -7.607 -1.049 -11.555 1.00 0.60 O ATOM 879 CB ARG A 54 -4.907 -2.705 -11.894 1.00 0.73 C ATOM 880 CG ARG A 54 -4.624 -2.682 -13.328 1.00 1.06 C ATOM 881 CD ARG A 54 -4.915 -3.991 -13.449 1.00 1.43 C ATOM 882 NE ARG A 54 -4.587 -4.733 -14.455 1.00 1.90 N ATOM 883 CZ ARG A 54 -4.332 -4.483 -15.632 1.00 2.39 C ATOM 884 NH1 ARG A 54 -3.555 -3.549 -15.698 1.00 2.76 N ATOM 885 NH2 ARG A 54 -4.071 -5.454 -16.246 1.00 3.12 N ATOM 0 H ARG A 54 -3.581 -1.709 -10.223 1.00 0.62 H new ATOM 0 HA ARG A 54 -5.234 -0.658 -12.248 1.00 0.65 H new ATOM 0 HB2 ARG A 54 -4.041 -3.083 -11.351 1.00 0.73 H new ATOM 0 HB3 ARG A 54 -5.733 -3.387 -11.690 1.00 0.73 H new ATOM 0 HG2 ARG A 54 -5.271 -2.021 -13.905 1.00 1.06 H new ATOM 0 HG3 ARG A 54 -3.596 -2.423 -13.581 1.00 1.06 H new ATOM 0 HD2 ARG A 54 -4.491 -4.475 -12.569 1.00 1.43 H new ATOM 0 HD3 ARG A 54 -5.999 -4.066 -13.362 1.00 1.43 H new ATOM 0 HE ARG A 54 -4.528 -5.725 -14.227 1.00 1.90 H new ATOM 0 HH11 ARG A 54 -3.220 -3.103 -14.844 1.00 2.76 H new ATOM 0 HH12 ARG A 54 -3.239 -3.212 -16.607 1.00 2.76 H new ATOM 0 HH21 ARG A 54 -4.076 -6.365 -15.787 1.00 3.12 H new ATOM 0 HH22 ARG A 54 -3.840 -5.384 -17.237 1.00 3.12 H new ATOM 899 N LYS A 55 -6.740 -1.690 -9.576 1.00 0.56 N ATOM 900 CA LYS A 55 -8.020 -1.692 -8.887 1.00 0.54 C ATOM 901 C LYS A 55 -8.569 -0.290 -8.758 1.00 0.51 C ATOM 902 O LYS A 55 -9.747 -0.051 -9.015 1.00 0.52 O ATOM 903 CB LYS A 55 -7.884 -2.295 -7.506 1.00 0.58 C ATOM 904 CG LYS A 55 -7.946 -3.767 -7.571 1.00 0.71 C ATOM 905 CD LYS A 55 -6.768 -4.402 -7.098 1.00 0.92 C ATOM 906 CE LYS A 55 -7.068 -5.814 -7.226 1.00 0.95 C ATOM 907 NZ LYS A 55 -7.195 -6.580 -6.099 1.00 1.72 N ATOM 0 H LYS A 55 -5.947 -1.959 -8.993 1.00 0.56 H new ATOM 0 HA LYS A 55 -8.708 -2.293 -9.481 1.00 0.54 H new ATOM 0 HB2 LYS A 55 -6.939 -1.985 -7.060 1.00 0.58 H new ATOM 0 HB3 LYS A 55 -8.679 -1.921 -6.861 1.00 0.58 H new ATOM 0 HG2 LYS A 55 -8.797 -4.114 -6.985 1.00 0.71 H new ATOM 0 HG3 LYS A 55 -8.124 -4.071 -8.603 1.00 0.71 H new ATOM 0 HD2 LYS A 55 -5.896 -4.122 -7.690 1.00 0.92 H new ATOM 0 HD3 LYS A 55 -6.553 -4.130 -6.065 1.00 0.92 H new ATOM 0 HE2 LYS A 55 -7.999 -5.901 -7.787 1.00 0.95 H new ATOM 0 HE3 LYS A 55 -6.284 -6.260 -7.838 1.00 0.95 H new ATOM 0 HZ1 LYS A 55 -7.409 -7.561 -6.369 1.00 1.72 H new ATOM 0 HZ2 LYS A 55 -6.306 -6.555 -5.560 1.00 1.72 H new ATOM 0 HZ3 LYS A 55 -7.967 -6.207 -5.511 1.00 1.72 H new ATOM 921 N MET A 56 -7.710 0.641 -8.363 1.00 0.52 N ATOM 922 CA MET A 56 -8.134 2.036 -8.212 1.00 0.58 C ATOM 923 C MET A 56 -8.514 2.630 -9.538 1.00 0.60 C ATOM 924 O MET A 56 -9.408 3.468 -9.615 1.00 0.65 O ATOM 925 CB MET A 56 -7.058 2.948 -7.669 1.00 0.68 C ATOM 926 CG MET A 56 -6.211 2.349 -6.706 1.00 1.04 C ATOM 927 SD MET A 56 -5.152 3.534 -5.941 1.00 1.34 S ATOM 928 CE MET A 56 -6.410 4.584 -5.311 1.00 1.70 C ATOM 0 H MET A 56 -6.730 0.465 -8.143 1.00 0.52 H new ATOM 0 HA MET A 56 -8.969 1.983 -7.513 1.00 0.58 H new ATOM 0 HB2 MET A 56 -6.448 3.304 -8.499 1.00 0.68 H new ATOM 0 HB3 MET A 56 -7.532 3.823 -7.224 1.00 0.68 H new ATOM 0 HG2 MET A 56 -6.816 1.857 -5.945 1.00 1.04 H new ATOM 0 HG3 MET A 56 -5.608 1.576 -7.182 1.00 1.04 H new ATOM 0 HE1 MET A 56 -6.073 5.036 -4.378 1.00 1.70 H new ATOM 0 HE2 MET A 56 -6.627 5.368 -6.037 1.00 1.70 H new ATOM 0 HE3 MET A 56 -7.312 4.001 -5.127 1.00 1.70 H new ATOM 938 N GLU A 57 -7.819 2.217 -10.581 1.00 0.62 N ATOM 939 CA GLU A 57 -8.097 2.725 -11.907 1.00 0.69 C ATOM 940 C GLU A 57 -9.407 2.218 -12.438 1.00 0.68 C ATOM 941 O GLU A 57 -10.046 2.868 -13.263 1.00 0.77 O ATOM 942 CB GLU A 57 -7.087 2.230 -12.859 1.00 0.75 C ATOM 943 CG GLU A 57 -5.853 2.877 -12.798 1.00 1.30 C ATOM 944 CD GLU A 57 -5.562 3.378 -14.138 1.00 1.79 C ATOM 945 OE1 GLU A 57 -6.530 3.950 -14.809 1.00 2.38 O ATOM 946 OE2 GLU A 57 -4.403 3.102 -14.540 1.00 2.25 O ATOM 0 H GLU A 57 -7.062 1.535 -10.535 1.00 0.62 H new ATOM 0 HA GLU A 57 -8.103 3.811 -11.819 1.00 0.69 H new ATOM 0 HB2 GLU A 57 -6.932 1.166 -12.680 1.00 0.75 H new ATOM 0 HB3 GLU A 57 -7.483 2.329 -13.870 1.00 0.75 H new ATOM 0 HG2 GLU A 57 -5.883 3.696 -12.079 1.00 1.30 H new ATOM 0 HG3 GLU A 57 -5.074 2.190 -12.466 1.00 1.30 H new ATOM 953 N ASN A 58 -9.787 1.039 -11.981 1.00 0.62 N ATOM 954 CA ASN A 58 -11.026 0.426 -12.410 1.00 0.66 C ATOM 955 C ASN A 58 -12.110 0.645 -11.370 1.00 0.64 C ATOM 956 O ASN A 58 -13.248 0.207 -11.549 1.00 0.71 O ATOM 957 CB ASN A 58 -10.830 -1.069 -12.635 1.00 0.70 C ATOM 958 CG ASN A 58 -10.918 -1.448 -14.089 1.00 0.85 C ATOM 959 OD1 ASN A 58 -11.891 -2.042 -14.543 1.00 1.22 O ATOM 960 ND2 ASN A 58 -9.913 -1.116 -14.836 1.00 0.98 N ATOM 0 H ASN A 58 -9.252 0.487 -11.311 1.00 0.62 H new ATOM 0 HA ASN A 58 -11.330 0.890 -13.348 1.00 0.66 H new ATOM 0 HB2 ASN A 58 -9.858 -1.368 -12.243 1.00 0.70 H new ATOM 0 HB3 ASN A 58 -11.584 -1.620 -12.073 1.00 0.70 H new ATOM 0 HD21 ASN A 58 -9.917 -1.348 -15.829 1.00 0.98 H new ATOM 0 HD22 ASN A 58 -9.118 -0.623 -14.431 1.00 0.98 H new ATOM 967 N ARG A 59 -11.752 1.319 -10.277 1.00 0.59 N ATOM 968 CA ARG A 59 -12.680 1.577 -9.220 1.00 0.61 C ATOM 969 C ARG A 59 -13.154 0.295 -8.558 1.00 0.61 C ATOM 970 O ARG A 59 -14.323 0.159 -8.172 1.00 0.69 O ATOM 971 CB ARG A 59 -13.838 2.318 -9.732 1.00 0.70 C ATOM 972 CG ARG A 59 -14.525 2.970 -8.596 1.00 0.77 C ATOM 973 CD ARG A 59 -15.448 3.606 -9.217 1.00 1.14 C ATOM 974 NE ARG A 59 -16.281 4.229 -8.449 1.00 1.40 N ATOM 975 CZ ARG A 59 -17.339 4.406 -8.983 1.00 2.08 C ATOM 976 NH1 ARG A 59 -17.472 4.120 -10.228 1.00 2.65 N ATOM 977 NH2 ARG A 59 -18.054 5.161 -8.553 1.00 2.87 N ATOM 0 H ARG A 59 -10.816 1.691 -10.117 1.00 0.59 H new ATOM 0 HA ARG A 59 -12.160 2.174 -8.471 1.00 0.61 H new ATOM 0 HB2 ARG A 59 -13.517 3.065 -10.458 1.00 0.70 H new ATOM 0 HB3 ARG A 59 -14.520 1.643 -10.249 1.00 0.70 H new ATOM 0 HG2 ARG A 59 -14.925 2.248 -7.884 1.00 0.77 H new ATOM 0 HG3 ARG A 59 -13.865 3.635 -8.039 1.00 0.77 H new ATOM 0 HD2 ARG A 59 -14.985 4.328 -9.890 1.00 1.14 H new ATOM 0 HD3 ARG A 59 -16.002 2.902 -9.837 1.00 1.14 H new ATOM 0 HE ARG A 59 -16.063 4.534 -7.500 1.00 1.40 H new ATOM 0 HH11 ARG A 59 -16.681 3.746 -10.753 1.00 2.65 H new ATOM 0 HH12 ARG A 59 -18.368 4.267 -10.692 1.00 2.65 H new ATOM 0 HH21 ARG A 59 -17.799 5.687 -7.717 1.00 2.87 H new ATOM 0 HH22 ARG A 59 -18.957 5.320 -8.999 1.00 2.87 H new ATOM 991 N ASP A 60 -12.241 -0.640 -8.426 1.00 0.57 N ATOM 992 CA ASP A 60 -12.550 -1.911 -7.813 1.00 0.64 C ATOM 993 C ASP A 60 -12.793 -1.751 -6.324 1.00 0.68 C ATOM 994 O ASP A 60 -13.512 -2.534 -5.708 1.00 0.81 O ATOM 995 CB ASP A 60 -11.400 -2.886 -8.055 1.00 0.63 C ATOM 996 CG ASP A 60 -11.726 -4.293 -7.602 1.00 0.74 C ATOM 997 OD1 ASP A 60 -12.278 -4.456 -6.440 1.00 1.24 O ATOM 998 OD2 ASP A 60 -11.421 -5.255 -8.413 1.00 1.44 O ATOM 0 H ASP A 60 -11.274 -0.543 -8.737 1.00 0.57 H new ATOM 0 HA ASP A 60 -13.462 -2.303 -8.263 1.00 0.64 H new ATOM 0 HB2 ASP A 60 -11.156 -2.898 -9.117 1.00 0.63 H new ATOM 0 HB3 ASP A 60 -10.513 -2.535 -7.528 1.00 0.63 H new ATOM 1003 N TYR A 61 -12.158 -0.756 -5.741 1.00 0.66 N ATOM 1004 CA TYR A 61 -12.252 -0.542 -4.316 1.00 0.76 C ATOM 1005 C TYR A 61 -13.214 0.458 -3.834 1.00 0.82 C ATOM 1006 O TYR A 61 -12.845 1.196 -2.994 1.00 1.71 O ATOM 1007 CB TYR A 61 -11.045 0.118 -3.808 1.00 0.88 C ATOM 1008 CG TYR A 61 -9.849 -0.594 -3.811 1.00 0.64 C ATOM 1009 CD1 TYR A 61 -9.038 -0.608 -4.781 1.00 1.27 C ATOM 1010 CD2 TYR A 61 -9.516 -1.148 -2.779 1.00 1.36 C ATOM 1011 CE1 TYR A 61 -7.888 -1.205 -4.687 1.00 1.41 C ATOM 1012 CE2 TYR A 61 -8.363 -1.711 -2.668 1.00 1.65 C ATOM 1013 CZ TYR A 61 -7.568 -1.735 -3.630 1.00 1.28 C ATOM 1014 OH TYR A 61 -6.359 -2.244 -3.497 1.00 1.77 O ATOM 0 H TYR A 61 -11.571 -0.083 -6.234 1.00 0.66 H new ATOM 0 HA TYR A 61 -12.493 -1.555 -3.994 1.00 0.76 H new ATOM 0 HB2 TYR A 61 -10.892 1.026 -4.392 1.00 0.88 H new ATOM 0 HB3 TYR A 61 -11.244 0.429 -2.782 1.00 0.88 H new ATOM 0 HD1 TYR A 61 -9.306 -0.115 -5.704 1.00 1.27 H new ATOM 0 HD2 TYR A 61 -10.199 -1.168 -1.943 1.00 1.36 H new ATOM 0 HE1 TYR A 61 -7.219 -1.234 -5.534 1.00 1.41 H new ATOM 0 HE2 TYR A 61 -8.081 -2.168 -1.731 1.00 1.65 H new ATOM 0 HH TYR A 61 -6.095 -2.683 -4.333 1.00 1.77 H new ATOM 1024 N ARG A 62 -14.315 0.537 -4.304 1.00 0.94 N ATOM 1025 CA ARG A 62 -15.321 1.549 -3.833 1.00 0.95 C ATOM 1026 C ARG A 62 -15.389 1.931 -2.345 1.00 0.80 C ATOM 1027 O ARG A 62 -16.461 2.326 -1.877 1.00 0.88 O ATOM 1028 CB ARG A 62 -16.595 1.009 -4.093 1.00 1.19 C ATOM 1029 CG ARG A 62 -16.445 -0.126 -4.749 1.00 1.77 C ATOM 1030 CD ARG A 62 -17.646 -0.332 -5.133 1.00 2.17 C ATOM 1031 NE ARG A 62 -17.790 -1.508 -5.176 1.00 2.93 N ATOM 1032 CZ ARG A 62 -18.963 -1.973 -5.304 1.00 3.41 C ATOM 1033 NH1 ARG A 62 -19.979 -1.192 -5.822 1.00 3.45 N ATOM 1034 NH2 ARG A 62 -18.802 -3.157 -5.719 1.00 4.31 N ATOM 0 H ARG A 62 -14.653 -0.068 -5.052 1.00 0.94 H new ATOM 0 HA ARG A 62 -15.009 2.452 -4.357 1.00 0.95 H new ATOM 0 HB2 ARG A 62 -17.131 0.838 -3.160 1.00 1.19 H new ATOM 0 HB3 ARG A 62 -17.190 1.709 -4.679 1.00 1.19 H new ATOM 0 HG2 ARG A 62 -15.752 -0.033 -5.585 1.00 1.77 H new ATOM 0 HG3 ARG A 62 -16.070 -0.927 -4.112 1.00 1.77 H new ATOM 0 HD2 ARG A 62 -18.357 0.121 -4.442 1.00 2.17 H new ATOM 0 HD3 ARG A 62 -17.823 0.116 -6.111 1.00 2.17 H new ATOM 0 HE ARG A 62 -16.987 -2.133 -5.111 1.00 2.93 H new ATOM 0 HH11 ARG A 62 -19.789 -0.231 -6.106 1.00 3.45 H new ATOM 0 HH12 ARG A 62 -20.919 -1.577 -5.920 1.00 3.45 H new ATOM 0 HH21 ARG A 62 -17.861 -3.520 -5.872 1.00 4.31 H new ATOM 0 HH22 ARG A 62 -19.613 -3.748 -5.901 1.00 4.31 H new ATOM 1048 N ASP A 63 -14.311 1.823 -1.630 1.00 0.70 N ATOM 1049 CA ASP A 63 -14.247 2.145 -0.280 1.00 0.71 C ATOM 1050 C ASP A 63 -12.837 2.182 0.240 1.00 0.63 C ATOM 1051 O ASP A 63 -11.951 1.510 -0.280 1.00 0.60 O ATOM 1052 CB ASP A 63 -14.956 1.070 0.421 1.00 0.86 C ATOM 1053 CG ASP A 63 -16.056 1.523 1.180 1.00 1.63 C ATOM 1054 OD1 ASP A 63 -16.042 2.727 1.603 1.00 2.21 O ATOM 1055 OD2 ASP A 63 -16.901 0.621 1.417 1.00 2.33 O ATOM 0 H ASP A 63 -13.425 1.491 -2.010 1.00 0.70 H new ATOM 0 HA ASP A 63 -14.677 3.135 -0.125 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -15.304 0.339 -0.309 1.00 0.86 H new ATOM 0 HB3 ASP A 63 -14.258 0.554 1.080 1.00 0.86 H new ATOM 1060 N ALA A 64 -12.653 2.939 1.302 1.00 0.66 N ATOM 1061 CA ALA A 64 -11.352 3.051 1.928 1.00 0.65 C ATOM 1062 C ALA A 64 -11.016 1.820 2.746 1.00 0.59 C ATOM 1063 O ALA A 64 -9.855 1.418 2.827 1.00 0.56 O ATOM 1064 CB ALA A 64 -11.303 4.285 2.793 1.00 0.78 C ATOM 0 H ALA A 64 -13.388 3.486 1.750 1.00 0.66 H new ATOM 0 HA ALA A 64 -10.605 3.133 1.138 1.00 0.65 H new ATOM 0 HB1 ALA A 64 -10.322 4.363 3.261 1.00 0.78 H new ATOM 0 HB2 ALA A 64 -11.483 5.167 2.179 1.00 0.78 H new ATOM 0 HB3 ALA A 64 -12.069 4.218 3.566 1.00 0.78 H new ATOM 1070 N GLN A 65 -12.033 1.228 3.347 1.00 0.63 N ATOM 1071 CA GLN A 65 -11.843 0.040 4.152 1.00 0.65 C ATOM 1072 C GLN A 65 -11.254 -1.089 3.340 1.00 0.58 C ATOM 1073 O GLN A 65 -10.436 -1.865 3.833 1.00 0.60 O ATOM 1074 CB GLN A 65 -13.158 -0.411 4.715 1.00 0.76 C ATOM 1075 CG GLN A 65 -13.258 -0.164 6.126 1.00 1.01 C ATOM 1076 CD GLN A 65 -14.206 0.819 6.456 1.00 1.41 C ATOM 1077 OE1 GLN A 65 -15.401 0.630 6.284 1.00 2.21 O ATOM 1078 NE2 GLN A 65 -13.800 1.759 7.091 1.00 1.71 N ATOM 0 H GLN A 65 -12.998 1.553 3.291 1.00 0.63 H new ATOM 0 HA GLN A 65 -11.152 0.295 4.955 1.00 0.65 H new ATOM 0 HB2 GLN A 65 -13.968 0.105 4.199 1.00 0.76 H new ATOM 0 HB3 GLN A 65 -13.286 -1.477 4.525 1.00 0.76 H new ATOM 0 HG2 GLN A 65 -13.519 -1.094 6.632 1.00 1.01 H new ATOM 0 HG3 GLN A 65 -12.282 0.142 6.504 1.00 1.01 H new ATOM 0 HE21 GLN A 65 -12.797 1.893 7.219 1.00 1.71 H new ATOM 0 HE22 GLN A 65 -14.459 2.421 7.500 1.00 1.71 H new ATOM 1087 N GLU A 66 -11.676 -1.178 2.099 1.00 0.56 N ATOM 1088 CA GLU A 66 -11.194 -2.201 1.206 1.00 0.53 C ATOM 1089 C GLU A 66 -9.741 -2.000 0.846 1.00 0.46 C ATOM 1090 O GLU A 66 -8.978 -2.963 0.760 1.00 0.47 O ATOM 1091 CB GLU A 66 -12.036 -2.169 -0.023 1.00 0.56 C ATOM 1092 CG GLU A 66 -13.190 -3.022 0.181 1.00 0.83 C ATOM 1093 CD GLU A 66 -13.258 -4.106 -0.727 1.00 1.81 C ATOM 1094 OE1 GLU A 66 -12.209 -4.433 -1.381 1.00 2.61 O ATOM 1095 OE2 GLU A 66 -14.380 -4.660 -0.752 1.00 2.46 O ATOM 0 H GLU A 66 -12.360 -0.545 1.684 1.00 0.56 H new ATOM 0 HA GLU A 66 -11.264 -3.169 1.702 1.00 0.53 H new ATOM 0 HB2 GLU A 66 -12.354 -1.148 -0.237 1.00 0.56 H new ATOM 0 HB3 GLU A 66 -11.461 -2.511 -0.884 1.00 0.56 H new ATOM 0 HG2 GLU A 66 -13.169 -3.412 1.199 1.00 0.83 H new ATOM 0 HG3 GLU A 66 -14.096 -2.423 0.088 1.00 0.83 H new ATOM 1102 N PHE A 67 -9.372 -0.748 0.635 1.00 0.43 N ATOM 1103 CA PHE A 67 -8.010 -0.409 0.285 1.00 0.42 C ATOM 1104 C PHE A 67 -7.068 -0.679 1.448 1.00 0.43 C ATOM 1105 O PHE A 67 -5.991 -1.243 1.276 1.00 0.49 O ATOM 1106 CB PHE A 67 -7.930 1.055 -0.117 1.00 0.46 C ATOM 1107 CG PHE A 67 -6.618 1.434 -0.691 1.00 0.54 C ATOM 1108 CD1 PHE A 67 -6.340 1.217 -1.918 1.00 1.30 C ATOM 1109 CD2 PHE A 67 -5.692 2.004 0.007 1.00 1.35 C ATOM 1110 CE1 PHE A 67 -5.123 1.571 -2.455 1.00 1.41 C ATOM 1111 CE2 PHE A 67 -4.478 2.351 -0.551 1.00 1.43 C ATOM 1112 CZ PHE A 67 -4.243 2.121 -1.753 1.00 0.90 C ATOM 0 H PHE A 67 -10.002 0.051 0.701 1.00 0.43 H new ATOM 0 HA PHE A 67 -7.705 -1.033 -0.555 1.00 0.42 H new ATOM 0 HB2 PHE A 67 -8.713 1.268 -0.845 1.00 0.46 H new ATOM 0 HB3 PHE A 67 -8.130 1.676 0.756 1.00 0.46 H new ATOM 0 HD1 PHE A 67 -7.077 0.744 -2.550 1.00 1.30 H new ATOM 0 HD2 PHE A 67 -5.872 2.214 1.051 1.00 1.35 H new ATOM 0 HE1 PHE A 67 -4.924 1.372 -3.498 1.00 1.41 H new ATOM 0 HE2 PHE A 67 -3.725 2.826 0.060 1.00 1.43 H new ATOM 0 HZ PHE A 67 -3.291 2.393 -2.185 1.00 0.90 H new ATOM 1122 N ALA A 68 -7.491 -0.276 2.643 1.00 0.44 N ATOM 1123 CA ALA A 68 -6.689 -0.478 3.840 1.00 0.49 C ATOM 1124 C ALA A 68 -6.479 -1.956 4.131 1.00 0.47 C ATOM 1125 O ALA A 68 -5.405 -2.367 4.569 1.00 0.50 O ATOM 1126 CB ALA A 68 -7.336 0.188 5.026 1.00 0.57 C ATOM 0 H ALA A 68 -8.383 0.191 2.805 1.00 0.44 H new ATOM 0 HA ALA A 68 -5.714 -0.026 3.659 1.00 0.49 H new ATOM 0 HB1 ALA A 68 -6.723 0.027 5.913 1.00 0.57 H new ATOM 0 HB2 ALA A 68 -7.428 1.258 4.837 1.00 0.57 H new ATOM 0 HB3 ALA A 68 -8.326 -0.238 5.187 1.00 0.57 H new ATOM 1132 N ALA A 69 -7.511 -2.753 3.882 1.00 0.50 N ATOM 1133 CA ALA A 69 -7.438 -4.188 4.112 1.00 0.54 C ATOM 1134 C ALA A 69 -6.438 -4.851 3.172 1.00 0.51 C ATOM 1135 O ALA A 69 -5.741 -5.788 3.557 1.00 0.55 O ATOM 1136 CB ALA A 69 -8.803 -4.807 3.940 1.00 0.60 C ATOM 0 H ALA A 69 -8.408 -2.428 3.521 1.00 0.50 H new ATOM 0 HA ALA A 69 -7.094 -4.350 5.134 1.00 0.54 H new ATOM 0 HB1 ALA A 69 -8.740 -5.881 4.114 1.00 0.60 H new ATOM 0 HB2 ALA A 69 -9.496 -4.364 4.655 1.00 0.60 H new ATOM 0 HB3 ALA A 69 -9.161 -4.624 2.927 1.00 0.60 H new ATOM 1142 N ASP A 70 -6.366 -4.356 1.940 1.00 0.48 N ATOM 1143 CA ASP A 70 -5.438 -4.904 0.956 1.00 0.49 C ATOM 1144 C ASP A 70 -4.001 -4.583 1.315 1.00 0.48 C ATOM 1145 O ASP A 70 -3.102 -5.390 1.089 1.00 0.49 O ATOM 1146 CB ASP A 70 -5.727 -4.333 -0.411 1.00 0.52 C ATOM 1147 CG ASP A 70 -6.541 -5.229 -1.272 1.00 0.80 C ATOM 1148 OD1 ASP A 70 -6.065 -6.382 -1.625 1.00 1.25 O ATOM 1149 OD2 ASP A 70 -7.679 -4.735 -1.608 1.00 1.65 O ATOM 0 H ASP A 70 -6.936 -3.581 1.600 1.00 0.48 H new ATOM 0 HA ASP A 70 -5.573 -5.986 0.950 1.00 0.49 H new ATOM 0 HB2 ASP A 70 -6.248 -3.383 -0.295 1.00 0.52 H new ATOM 0 HB3 ASP A 70 -4.783 -4.120 -0.913 1.00 0.52 H new ATOM 1154 N VAL A 71 -3.784 -3.398 1.865 1.00 0.50 N ATOM 1155 CA VAL A 71 -2.446 -2.975 2.249 1.00 0.53 C ATOM 1156 C VAL A 71 -1.943 -3.769 3.437 1.00 0.52 C ATOM 1157 O VAL A 71 -0.783 -4.170 3.482 1.00 0.53 O ATOM 1158 CB VAL A 71 -2.433 -1.499 2.617 1.00 0.60 C ATOM 1159 CG1 VAL A 71 -1.085 -0.999 2.891 1.00 0.77 C ATOM 1160 CG2 VAL A 71 -3.006 -0.657 1.553 1.00 0.85 C ATOM 0 H VAL A 71 -4.516 -2.713 2.055 1.00 0.50 H new ATOM 0 HA VAL A 71 -1.795 -3.150 1.392 1.00 0.53 H new ATOM 0 HB VAL A 71 -3.041 -1.433 3.519 1.00 0.60 H new ATOM 0 HG11 VAL A 71 -1.135 0.059 3.148 1.00 0.77 H new ATOM 0 HG12 VAL A 71 -0.653 -1.555 3.723 1.00 0.77 H new ATOM 0 HG13 VAL A 71 -0.462 -1.128 2.006 1.00 0.77 H new ATOM 0 HG21 VAL A 71 -2.976 0.388 1.860 1.00 0.85 H new ATOM 0 HG22 VAL A 71 -2.427 -0.783 0.638 1.00 0.85 H new ATOM 0 HG23 VAL A 71 -4.040 -0.952 1.372 1.00 0.85 H new ATOM 1170 N ARG A 72 -2.816 -3.993 4.391 1.00 0.52 N ATOM 1171 CA ARG A 72 -2.471 -4.746 5.556 1.00 0.54 C ATOM 1172 C ARG A 72 -2.072 -6.165 5.242 1.00 0.50 C ATOM 1173 O ARG A 72 -1.200 -6.744 5.894 1.00 0.52 O ATOM 1174 CB ARG A 72 -3.654 -4.787 6.411 1.00 0.61 C ATOM 1175 CG ARG A 72 -3.310 -4.329 7.632 1.00 1.16 C ATOM 1176 CD ARG A 72 -4.272 -4.841 8.347 1.00 1.49 C ATOM 1177 NE ARG A 72 -4.180 -4.341 9.500 1.00 2.00 N ATOM 1178 CZ ARG A 72 -5.113 -4.492 10.169 1.00 2.38 C ATOM 1179 NH1 ARG A 72 -6.156 -5.045 9.749 1.00 2.52 N ATOM 1180 NH2 ARG A 72 -5.065 -4.173 11.253 1.00 3.22 N ATOM 0 H ARG A 72 -3.779 -3.657 4.374 1.00 0.52 H new ATOM 0 HA ARG A 72 -1.616 -4.265 6.032 1.00 0.54 H new ATOM 0 HB2 ARG A 72 -4.451 -4.176 5.987 1.00 0.61 H new ATOM 0 HB3 ARG A 72 -4.037 -5.805 6.481 1.00 0.61 H new ATOM 0 HG2 ARG A 72 -2.326 -4.679 7.946 1.00 1.16 H new ATOM 0 HG3 ARG A 72 -3.291 -3.240 7.678 1.00 1.16 H new ATOM 0 HD2 ARG A 72 -5.243 -4.616 7.905 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -4.185 -5.927 8.389 1.00 1.49 H new ATOM 0 HE ARG A 72 -3.349 -3.843 9.819 1.00 2.00 H new ATOM 0 HH11 ARG A 72 -6.203 -5.380 8.787 1.00 2.52 H new ATOM 0 HH12 ARG A 72 -6.958 -5.160 10.369 1.00 2.52 H new ATOM 0 HH21 ARG A 72 -4.210 -3.760 11.626 1.00 3.22 H new ATOM 0 HH22 ARG A 72 -5.877 -4.298 11.858 1.00 3.22 H new ATOM 1194 N LEU A 73 -2.728 -6.718 4.245 1.00 0.48 N ATOM 1195 CA LEU A 73 -2.459 -8.066 3.823 1.00 0.49 C ATOM 1196 C LEU A 73 -1.074 -8.177 3.195 1.00 0.46 C ATOM 1197 O LEU A 73 -0.331 -9.126 3.458 1.00 0.48 O ATOM 1198 CB LEU A 73 -3.508 -8.508 2.833 1.00 0.55 C ATOM 1199 CG LEU A 73 -3.356 -9.949 2.474 1.00 0.54 C ATOM 1200 CD1 LEU A 73 -4.403 -10.801 2.936 1.00 1.08 C ATOM 1201 CD2 LEU A 73 -3.386 -10.161 1.077 1.00 0.90 C ATOM 0 H LEU A 73 -3.457 -6.246 3.710 1.00 0.48 H new ATOM 0 HA LEU A 73 -2.488 -8.713 4.700 1.00 0.49 H new ATOM 0 HB2 LEU A 73 -4.499 -8.340 3.254 1.00 0.55 H new ATOM 0 HB3 LEU A 73 -3.437 -7.899 1.932 1.00 0.55 H new ATOM 0 HG LEU A 73 -2.404 -10.191 2.945 1.00 0.54 H new ATOM 0 HD11 LEU A 73 -4.202 -11.826 2.625 1.00 1.08 H new ATOM 0 HD12 LEU A 73 -4.456 -10.755 4.024 1.00 1.08 H new ATOM 0 HD13 LEU A 73 -5.352 -10.473 2.512 1.00 1.08 H new ATOM 0 HD21 LEU A 73 -3.272 -11.225 0.868 1.00 0.90 H new ATOM 0 HD22 LEU A 73 -4.338 -9.813 0.677 1.00 0.90 H new ATOM 0 HD23 LEU A 73 -2.571 -9.609 0.608 1.00 0.90 H new ATOM 1213 N MET A 74 -0.734 -7.201 2.374 1.00 0.45 N ATOM 1214 CA MET A 74 0.548 -7.175 1.723 1.00 0.49 C ATOM 1215 C MET A 74 1.692 -7.050 2.727 1.00 0.49 C ATOM 1216 O MET A 74 2.734 -7.696 2.588 1.00 0.55 O ATOM 1217 CB MET A 74 0.591 -6.017 0.745 1.00 0.56 C ATOM 1218 CG MET A 74 1.611 -6.301 -0.294 1.00 0.90 C ATOM 1219 SD MET A 74 2.720 -5.033 -0.634 1.00 1.53 S ATOM 1220 CE MET A 74 1.909 -3.841 -1.630 1.00 1.04 C ATOM 0 H MET A 74 -1.339 -6.412 2.145 1.00 0.45 H new ATOM 0 HA MET A 74 0.678 -8.118 1.193 1.00 0.49 H new ATOM 0 HB2 MET A 74 -0.387 -5.877 0.284 1.00 0.56 H new ATOM 0 HB3 MET A 74 0.833 -5.092 1.267 1.00 0.56 H new ATOM 0 HG2 MET A 74 2.178 -7.179 0.014 1.00 0.90 H new ATOM 0 HG3 MET A 74 1.095 -6.562 -1.218 1.00 0.90 H new ATOM 0 HE1 MET A 74 2.456 -3.714 -2.564 1.00 1.04 H new ATOM 0 HE2 MET A 74 0.895 -4.177 -1.846 1.00 1.04 H new ATOM 0 HE3 MET A 74 1.871 -2.889 -1.100 1.00 1.04 H new ATOM 1230 N PHE A 75 1.484 -6.218 3.738 1.00 0.47 N ATOM 1231 CA PHE A 75 2.485 -6.001 4.769 1.00 0.51 C ATOM 1232 C PHE A 75 2.641 -7.248 5.641 1.00 0.50 C ATOM 1233 O PHE A 75 3.746 -7.627 6.038 1.00 0.56 O ATOM 1234 CB PHE A 75 2.079 -4.776 5.616 1.00 0.55 C ATOM 1235 CG PHE A 75 2.325 -3.349 4.928 1.00 0.58 C ATOM 1236 CD1 PHE A 75 3.546 -2.965 4.979 1.00 1.23 C ATOM 1237 CD2 PHE A 75 1.263 -2.680 4.373 1.00 1.41 C ATOM 1238 CE1 PHE A 75 4.239 -1.831 4.534 1.00 1.24 C ATOM 1239 CE2 PHE A 75 1.985 -1.598 3.937 1.00 1.46 C ATOM 1240 CZ PHE A 75 3.168 -1.267 4.010 1.00 0.69 C ATOM 0 H PHE A 75 0.626 -5.681 3.865 1.00 0.47 H new ATOM 0 HA PHE A 75 3.451 -5.807 4.304 1.00 0.51 H new ATOM 0 HB2 PHE A 75 1.021 -4.862 5.865 1.00 0.55 H new ATOM 0 HB3 PHE A 75 2.631 -4.807 6.556 1.00 0.55 H new ATOM 0 HD1 PHE A 75 4.187 -3.677 5.478 1.00 1.23 H new ATOM 0 HD2 PHE A 75 0.213 -2.923 4.303 1.00 1.41 H new ATOM 0 HE1 PHE A 75 5.274 -1.529 4.597 1.00 1.24 H new ATOM 0 HE2 PHE A 75 1.379 -0.874 3.412 1.00 1.46 H new ATOM 0 HZ PHE A 75 3.373 -0.313 3.547 1.00 0.69 H new ATOM 1250 N SER A 76 1.539 -7.898 5.929 1.00 0.47 N ATOM 1251 CA SER A 76 1.551 -9.093 6.734 1.00 0.49 C ATOM 1252 C SER A 76 2.153 -10.281 6.000 1.00 0.47 C ATOM 1253 O SER A 76 2.772 -11.153 6.613 1.00 0.50 O ATOM 1254 CB SER A 76 0.148 -9.355 7.085 1.00 0.54 C ATOM 1255 OG SER A 76 0.047 -9.951 8.298 1.00 1.24 O ATOM 0 H SER A 76 0.612 -7.614 5.612 1.00 0.47 H new ATOM 0 HA SER A 76 2.175 -8.950 7.617 1.00 0.49 H new ATOM 0 HB2 SER A 76 -0.409 -8.418 7.090 1.00 0.54 H new ATOM 0 HB3 SER A 76 -0.306 -9.992 6.326 1.00 0.54 H new ATOM 0 HG SER A 76 -0.897 -10.112 8.506 1.00 1.24 H new ATOM 1261 N ASN A 77 1.977 -10.300 4.689 1.00 0.44 N ATOM 1262 CA ASN A 77 2.521 -11.361 3.862 1.00 0.45 C ATOM 1263 C ASN A 77 4.040 -11.339 3.873 1.00 0.44 C ATOM 1264 O ASN A 77 4.682 -12.381 3.990 1.00 0.47 O ATOM 1265 CB ASN A 77 2.044 -11.203 2.427 1.00 0.49 C ATOM 1266 CG ASN A 77 0.803 -11.958 2.176 1.00 0.79 C ATOM 1267 OD1 ASN A 77 0.349 -12.728 3.016 1.00 1.22 O ATOM 1268 ND2 ASN A 77 0.248 -11.748 1.007 1.00 0.86 N ATOM 0 H ASN A 77 1.459 -9.588 4.174 1.00 0.44 H new ATOM 0 HA ASN A 77 2.173 -12.310 4.271 1.00 0.45 H new ATOM 0 HB2 ASN A 77 1.876 -10.147 2.214 1.00 0.49 H new ATOM 0 HB3 ASN A 77 2.822 -11.546 1.745 1.00 0.49 H new ATOM 0 HD21 ASN A 77 -0.610 -12.238 0.754 1.00 0.86 H new ATOM 0 HD22 ASN A 77 0.674 -11.094 0.350 1.00 0.86 H new ATOM 1275 N CYS A 78 4.607 -10.144 3.742 1.00 0.45 N ATOM 1276 CA CYS A 78 6.058 -9.983 3.731 1.00 0.48 C ATOM 1277 C CYS A 78 6.654 -10.370 5.077 1.00 0.50 C ATOM 1278 O CYS A 78 7.722 -10.975 5.138 1.00 0.55 O ATOM 1279 CB CYS A 78 6.434 -8.528 3.433 1.00 0.56 C ATOM 1280 SG CYS A 78 7.575 -8.289 2.050 1.00 0.89 S ATOM 0 H CYS A 78 4.085 -9.273 3.642 1.00 0.45 H new ATOM 0 HA CYS A 78 6.456 -10.635 2.954 1.00 0.48 H new ATOM 0 HB2 CYS A 78 5.521 -7.969 3.229 1.00 0.56 H new ATOM 0 HB3 CYS A 78 6.880 -8.095 4.329 1.00 0.56 H new ATOM 0 HG CYS A 78 8.293 -7.225 2.258 1.00 0.89 H new ATOM 1286 N TYR A 79 5.958 -10.012 6.153 1.00 0.52 N ATOM 1287 CA TYR A 79 6.427 -10.326 7.493 1.00 0.61 C ATOM 1288 C TYR A 79 6.433 -11.820 7.732 1.00 0.62 C ATOM 1289 O TYR A 79 7.396 -12.375 8.249 1.00 0.66 O ATOM 1290 CB TYR A 79 5.554 -9.649 8.514 1.00 0.71 C ATOM 1291 CG TYR A 79 6.256 -8.621 9.293 1.00 0.76 C ATOM 1292 CD1 TYR A 79 7.177 -8.887 10.156 1.00 1.31 C ATOM 1293 CD2 TYR A 79 5.931 -7.407 9.183 1.00 1.56 C ATOM 1294 CE1 TYR A 79 7.732 -7.934 10.924 1.00 1.44 C ATOM 1295 CE2 TYR A 79 6.521 -6.443 9.932 1.00 1.74 C ATOM 1296 CZ TYR A 79 7.404 -6.752 10.796 1.00 1.24 C ATOM 1297 OH TYR A 79 7.898 -5.857 11.680 1.00 1.55 O ATOM 0 H TYR A 79 5.072 -9.507 6.120 1.00 0.52 H new ATOM 0 HA TYR A 79 7.449 -9.960 7.590 1.00 0.61 H new ATOM 0 HB2 TYR A 79 4.703 -9.193 8.008 1.00 0.71 H new ATOM 0 HB3 TYR A 79 5.155 -10.401 9.195 1.00 0.71 H new ATOM 0 HD1 TYR A 79 7.513 -9.908 10.265 1.00 1.31 H new ATOM 0 HD2 TYR A 79 5.164 -7.129 8.475 1.00 1.56 H new ATOM 0 HE1 TYR A 79 8.473 -8.206 11.661 1.00 1.44 H new ATOM 0 HE2 TYR A 79 6.241 -5.409 9.795 1.00 1.74 H new ATOM 0 HH TYR A 79 7.561 -4.963 11.463 1.00 1.55 H new ATOM 1307 N LYS A 80 5.355 -12.473 7.335 1.00 0.67 N ATOM 1308 CA LYS A 80 5.241 -13.913 7.462 1.00 0.75 C ATOM 1309 C LYS A 80 6.218 -14.655 6.646 1.00 0.72 C ATOM 1310 O LYS A 80 6.709 -15.709 7.040 1.00 0.82 O ATOM 1311 CB LYS A 80 3.866 -14.329 6.963 1.00 0.85 C ATOM 1312 CG LYS A 80 3.165 -14.333 8.086 1.00 1.15 C ATOM 1313 CD LYS A 80 2.588 -15.336 8.586 1.00 1.64 C ATOM 1314 CE LYS A 80 1.591 -15.844 7.962 1.00 2.20 C ATOM 1315 NZ LYS A 80 0.578 -15.807 8.826 1.00 3.11 N ATOM 0 H LYS A 80 4.540 -12.023 6.919 1.00 0.67 H new ATOM 0 HA LYS A 80 5.417 -14.147 8.512 1.00 0.75 H new ATOM 0 HB2 LYS A 80 3.465 -13.626 6.232 1.00 0.85 H new ATOM 0 HB3 LYS A 80 3.882 -15.309 6.487 1.00 0.85 H new ATOM 0 HG2 LYS A 80 3.840 -13.963 8.858 1.00 1.15 H new ATOM 0 HG3 LYS A 80 2.389 -13.579 7.954 1.00 1.15 H new ATOM 0 HD2 LYS A 80 3.335 -16.120 8.710 1.00 1.64 H new ATOM 0 HD3 LYS A 80 2.248 -15.059 9.584 1.00 1.64 H new ATOM 0 HE2 LYS A 80 1.360 -15.276 7.061 1.00 2.20 H new ATOM 0 HE3 LYS A 80 1.803 -16.866 7.648 1.00 2.20 H new ATOM 0 HZ1 LYS A 80 -0.281 -16.177 8.370 1.00 3.11 H new ATOM 0 HZ2 LYS A 80 0.808 -16.390 9.656 1.00 3.11 H new ATOM 0 HZ3 LYS A 80 0.415 -14.825 9.127 1.00 3.11 H new ATOM 1329 N TYR A 81 6.447 -14.128 5.471 1.00 0.63 N ATOM 1330 CA TYR A 81 7.323 -14.764 4.544 1.00 0.66 C ATOM 1331 C TYR A 81 8.749 -14.672 5.020 1.00 0.72 C ATOM 1332 O TYR A 81 9.430 -15.664 5.210 1.00 0.91 O ATOM 1333 CB TYR A 81 7.178 -14.169 3.223 1.00 0.72 C ATOM 1334 CG TYR A 81 7.873 -14.877 2.233 1.00 0.86 C ATOM 1335 CD1 TYR A 81 9.161 -14.608 1.784 1.00 1.34 C ATOM 1336 CD2 TYR A 81 7.232 -15.759 1.481 1.00 1.66 C ATOM 1337 CE1 TYR A 81 9.815 -15.622 0.888 1.00 1.46 C ATOM 1338 CE2 TYR A 81 7.813 -16.282 0.183 1.00 1.82 C ATOM 1339 CZ TYR A 81 9.189 -16.371 0.158 1.00 1.26 C ATOM 1340 OH TYR A 81 9.729 -16.907 -0.901 1.00 1.49 O ATOM 0 H TYR A 81 6.033 -13.256 5.140 1.00 0.63 H new ATOM 0 HA TYR A 81 7.055 -15.818 4.476 1.00 0.66 H new ATOM 0 HB2 TYR A 81 6.121 -14.129 2.961 1.00 0.72 H new ATOM 0 HB3 TYR A 81 7.539 -13.141 3.250 1.00 0.72 H new ATOM 0 HD1 TYR A 81 9.674 -13.701 2.069 1.00 1.34 H new ATOM 0 HD2 TYR A 81 6.265 -16.117 1.803 1.00 1.66 H new ATOM 0 HE1 TYR A 81 10.893 -15.690 0.891 1.00 1.46 H new ATOM 0 HE2 TYR A 81 7.197 -16.563 -0.658 1.00 1.82 H new ATOM 0 HH TYR A 81 9.070 -17.475 -1.353 1.00 1.49 H new ATOM 1350 N ASN A 82 9.187 -13.453 5.215 1.00 0.78 N ATOM 1351 CA ASN A 82 10.509 -13.225 5.666 1.00 0.99 C ATOM 1352 C ASN A 82 10.566 -12.547 6.963 1.00 0.87 C ATOM 1353 O ASN A 82 9.975 -11.506 7.147 1.00 0.77 O ATOM 1354 CB ASN A 82 11.141 -12.335 4.763 1.00 1.14 C ATOM 1355 CG ASN A 82 11.631 -13.101 3.715 1.00 1.69 C ATOM 1356 OD1 ASN A 82 11.194 -14.196 3.380 1.00 2.30 O ATOM 1357 ND2 ASN A 82 12.491 -12.573 3.131 1.00 2.29 N ATOM 0 H ASN A 82 8.634 -12.610 5.064 1.00 0.78 H new ATOM 0 HA ASN A 82 10.982 -14.204 5.740 1.00 0.99 H new ATOM 0 HB2 ASN A 82 10.434 -11.589 4.398 1.00 1.14 H new ATOM 0 HB3 ASN A 82 11.949 -11.794 5.256 1.00 1.14 H new ATOM 0 HD21 ASN A 82 12.903 -13.023 2.314 1.00 2.29 H new ATOM 0 HD22 ASN A 82 12.831 -11.661 3.437 1.00 2.29 H new ATOM 1364 N PRO A 83 11.289 -13.091 7.861 1.00 1.19 N ATOM 1365 CA PRO A 83 11.436 -12.551 9.166 1.00 1.23 C ATOM 1366 C PRO A 83 12.102 -11.240 9.166 1.00 0.87 C ATOM 1367 O PRO A 83 12.787 -10.869 8.234 1.00 0.86 O ATOM 1368 CB PRO A 83 12.337 -13.452 9.873 1.00 1.73 C ATOM 1369 CG PRO A 83 12.569 -14.555 8.989 1.00 2.05 C ATOM 1370 CD PRO A 83 12.023 -14.272 7.667 1.00 1.70 C ATOM 0 HA PRO A 83 10.446 -12.442 9.610 1.00 1.23 H new ATOM 0 HB2 PRO A 83 13.272 -12.951 10.124 1.00 1.73 H new ATOM 0 HB3 PRO A 83 11.894 -13.790 10.810 1.00 1.73 H new ATOM 0 HG2 PRO A 83 13.639 -14.749 8.913 1.00 2.05 H new ATOM 0 HG3 PRO A 83 12.109 -15.456 9.394 1.00 2.05 H new ATOM 0 HD2 PRO A 83 12.812 -14.137 6.927 1.00 1.70 H new ATOM 0 HD3 PRO A 83 11.389 -15.085 7.312 1.00 1.70 H new ATOM 1378 N PRO A 84 11.922 -10.536 10.228 1.00 0.95 N ATOM 1379 CA PRO A 84 12.466 -9.267 10.392 1.00 0.92 C ATOM 1380 C PRO A 84 13.892 -9.269 10.647 1.00 0.95 C ATOM 1381 O PRO A 84 14.334 -9.654 11.742 1.00 1.39 O ATOM 1382 CB PRO A 84 11.875 -8.719 11.624 1.00 1.27 C ATOM 1383 CG PRO A 84 11.061 -9.743 12.175 1.00 1.55 C ATOM 1384 CD PRO A 84 11.159 -10.939 11.351 1.00 1.43 C ATOM 0 HA PRO A 84 12.270 -8.712 9.475 1.00 0.92 H new ATOM 0 HB2 PRO A 84 12.653 -8.422 12.328 1.00 1.27 H new ATOM 0 HB3 PRO A 84 11.284 -7.829 11.407 1.00 1.27 H new ATOM 0 HG2 PRO A 84 11.377 -9.964 13.194 1.00 1.55 H new ATOM 0 HG3 PRO A 84 10.025 -9.409 12.228 1.00 1.55 H new ATOM 0 HD2 PRO A 84 11.645 -11.753 11.889 1.00 1.43 H new ATOM 0 HD3 PRO A 84 10.174 -11.297 11.053 1.00 1.43 H new ATOM 1392 N ASP A 85 14.592 -8.812 9.670 1.00 0.83 N ATOM 1393 CA ASP A 85 16.008 -8.718 9.797 1.00 1.11 C ATOM 1394 C ASP A 85 16.739 -8.287 8.562 1.00 1.07 C ATOM 1395 O ASP A 85 17.971 -8.257 8.526 1.00 1.66 O ATOM 1396 CB ASP A 85 16.402 -10.085 10.071 1.00 1.46 C ATOM 1397 CG ASP A 85 17.470 -10.278 10.994 1.00 1.72 C ATOM 1398 OD1 ASP A 85 17.441 -9.626 12.102 1.00 2.12 O ATOM 1399 OD2 ASP A 85 18.259 -11.203 10.637 1.00 2.32 O ATOM 0 H ASP A 85 14.213 -8.498 8.777 1.00 0.83 H new ATOM 0 HA ASP A 85 16.251 -7.968 10.550 1.00 1.11 H new ATOM 0 HB2 ASP A 85 15.530 -10.620 10.446 1.00 1.46 H new ATOM 0 HB3 ASP A 85 16.682 -10.553 9.127 1.00 1.46 H new ATOM 1404 N HIS A 86 16.018 -7.979 7.560 1.00 0.88 N ATOM 1405 CA HIS A 86 16.602 -7.557 6.346 1.00 0.87 C ATOM 1406 C HIS A 86 16.172 -6.160 6.058 1.00 0.71 C ATOM 1407 O HIS A 86 15.428 -5.560 6.832 1.00 0.67 O ATOM 1408 CB HIS A 86 16.087 -8.458 5.234 1.00 0.97 C ATOM 1409 CG HIS A 86 16.992 -9.386 4.809 1.00 1.26 C ATOM 1410 ND1 HIS A 86 18.187 -9.304 5.173 1.00 2.06 N ATOM 1411 CD2 HIS A 86 16.902 -10.404 4.030 1.00 1.57 C ATOM 1412 CE1 HIS A 86 18.838 -10.214 4.660 1.00 2.42 C ATOM 1413 NE2 HIS A 86 18.091 -10.899 3.962 1.00 2.05 N ATOM 0 H HIS A 86 14.999 -8.011 7.554 1.00 0.88 H new ATOM 0 HA HIS A 86 17.689 -7.605 6.413 1.00 0.87 H new ATOM 0 HB2 HIS A 86 15.191 -8.972 5.582 1.00 0.97 H new ATOM 0 HB3 HIS A 86 15.791 -7.839 4.387 1.00 0.97 H new ATOM 0 HD2 HIS A 86 16.015 -10.769 3.535 1.00 1.57 H new ATOM 0 HE1 HIS A 86 19.895 -10.384 4.800 1.00 2.42 H new ATOM 0 HE2 HIS A 86 18.366 -11.719 3.421 1.00 2.05 H new ATOM 1422 N ASP A 87 16.614 -5.653 4.930 1.00 0.77 N ATOM 1423 CA ASP A 87 16.236 -4.327 4.518 1.00 0.75 C ATOM 1424 C ASP A 87 14.819 -4.311 3.977 1.00 0.70 C ATOM 1425 O ASP A 87 14.103 -3.323 4.098 1.00 0.73 O ATOM 1426 CB ASP A 87 17.199 -3.828 3.467 1.00 0.92 C ATOM 1427 CG ASP A 87 17.276 -2.330 3.465 1.00 1.08 C ATOM 1428 OD1 ASP A 87 17.825 -1.775 4.497 1.00 1.65 O ATOM 1429 OD2 ASP A 87 16.786 -1.712 2.438 1.00 1.53 O ATOM 0 H ASP A 87 17.235 -6.141 4.284 1.00 0.77 H new ATOM 0 HA ASP A 87 16.274 -3.669 5.386 1.00 0.75 H new ATOM 0 HB2 ASP A 87 18.189 -4.245 3.651 1.00 0.92 H new ATOM 0 HB3 ASP A 87 16.883 -4.179 2.485 1.00 0.92 H new ATOM 1434 N VAL A 88 14.415 -5.404 3.385 1.00 0.69 N ATOM 1435 CA VAL A 88 13.082 -5.523 2.834 1.00 0.71 C ATOM 1436 C VAL A 88 12.018 -5.382 3.873 1.00 0.64 C ATOM 1437 O VAL A 88 11.080 -4.613 3.709 1.00 0.62 O ATOM 1438 CB VAL A 88 12.992 -6.909 2.259 1.00 0.83 C ATOM 1439 CG1 VAL A 88 11.722 -7.407 1.908 1.00 1.18 C ATOM 1440 CG2 VAL A 88 13.603 -6.968 1.009 1.00 1.51 C ATOM 0 H VAL A 88 14.994 -6.236 3.269 1.00 0.69 H new ATOM 0 HA VAL A 88 12.924 -4.733 2.099 1.00 0.71 H new ATOM 0 HB VAL A 88 13.426 -7.476 3.083 1.00 0.83 H new ATOM 0 HG11 VAL A 88 11.824 -8.416 1.509 1.00 1.18 H new ATOM 0 HG12 VAL A 88 11.083 -7.429 2.791 1.00 1.18 H new ATOM 0 HG13 VAL A 88 11.274 -6.762 1.152 1.00 1.18 H new ATOM 0 HG21 VAL A 88 13.525 -7.981 0.613 1.00 1.51 H new ATOM 0 HG22 VAL A 88 13.109 -6.274 0.329 1.00 1.51 H new ATOM 0 HG23 VAL A 88 14.654 -6.696 1.105 1.00 1.51 H new ATOM 1450 N VAL A 89 12.160 -6.153 4.935 1.00 0.65 N ATOM 1451 CA VAL A 89 11.199 -6.120 6.011 1.00 0.64 C ATOM 1452 C VAL A 89 11.160 -4.753 6.662 1.00 0.57 C ATOM 1453 O VAL A 89 10.088 -4.224 6.954 1.00 0.56 O ATOM 1454 CB VAL A 89 11.545 -7.144 7.084 1.00 0.73 C ATOM 1455 CG1 VAL A 89 10.494 -7.224 8.102 1.00 0.94 C ATOM 1456 CG2 VAL A 89 11.725 -8.488 6.505 1.00 0.87 C ATOM 0 H VAL A 89 12.931 -6.807 5.072 1.00 0.65 H new ATOM 0 HA VAL A 89 10.227 -6.352 5.576 1.00 0.64 H new ATOM 0 HB VAL A 89 12.477 -6.811 7.540 1.00 0.73 H new ATOM 0 HG11 VAL A 89 10.771 -7.963 8.853 1.00 0.94 H new ATOM 0 HG12 VAL A 89 10.373 -6.251 8.578 1.00 0.94 H new ATOM 0 HG13 VAL A 89 9.555 -7.517 7.633 1.00 0.94 H new ATOM 0 HG21 VAL A 89 11.971 -9.195 7.297 1.00 0.87 H new ATOM 0 HG22 VAL A 89 10.803 -8.799 6.014 1.00 0.87 H new ATOM 0 HG23 VAL A 89 12.534 -8.464 5.775 1.00 0.87 H new ATOM 1466 N ALA A 90 12.334 -4.187 6.890 1.00 0.57 N ATOM 1467 CA ALA A 90 12.437 -2.876 7.508 1.00 0.58 C ATOM 1468 C ALA A 90 11.759 -1.813 6.659 1.00 0.52 C ATOM 1469 O ALA A 90 11.201 -0.851 7.185 1.00 0.53 O ATOM 1470 CB ALA A 90 13.887 -2.525 7.724 1.00 0.69 C ATOM 0 H ALA A 90 13.229 -4.616 6.656 1.00 0.57 H new ATOM 0 HA ALA A 90 11.927 -2.910 8.471 1.00 0.58 H new ATOM 0 HB1 ALA A 90 13.958 -1.541 8.188 1.00 0.69 H new ATOM 0 HB2 ALA A 90 14.348 -3.267 8.376 1.00 0.69 H new ATOM 0 HB3 ALA A 90 14.405 -2.513 6.765 1.00 0.69 H new ATOM 1476 N MET A 91 11.804 -1.997 5.344 1.00 0.51 N ATOM 1477 CA MET A 91 11.183 -1.063 4.422 1.00 0.51 C ATOM 1478 C MET A 91 9.678 -1.013 4.618 1.00 0.49 C ATOM 1479 O MET A 91 9.060 0.048 4.510 1.00 0.53 O ATOM 1480 CB MET A 91 11.479 -1.469 2.991 1.00 0.57 C ATOM 1481 CG MET A 91 12.569 -0.690 2.400 1.00 0.67 C ATOM 1482 SD MET A 91 13.168 -1.489 0.917 1.00 1.12 S ATOM 1483 CE MET A 91 14.065 -0.046 0.309 1.00 1.02 C ATOM 0 H MET A 91 12.266 -2.788 4.895 1.00 0.51 H new ATOM 0 HA MET A 91 11.597 -0.075 4.624 1.00 0.51 H new ATOM 0 HB2 MET A 91 11.737 -2.528 2.963 1.00 0.57 H new ATOM 0 HB3 MET A 91 10.580 -1.344 2.388 1.00 0.57 H new ATOM 0 HG2 MET A 91 12.220 0.316 2.164 1.00 0.67 H new ATOM 0 HG3 MET A 91 13.382 -0.585 3.119 1.00 0.67 H new ATOM 0 HE1 MET A 91 14.714 -0.342 -0.515 1.00 1.02 H new ATOM 0 HE2 MET A 91 13.355 0.704 -0.039 1.00 1.02 H new ATOM 0 HE3 MET A 91 14.669 0.373 1.114 1.00 1.02 H new ATOM 1493 N ALA A 92 9.092 -2.169 4.898 1.00 0.50 N ATOM 1494 CA ALA A 92 7.657 -2.262 5.104 1.00 0.52 C ATOM 1495 C ALA A 92 7.239 -1.605 6.406 1.00 0.49 C ATOM 1496 O ALA A 92 6.222 -0.916 6.468 1.00 0.50 O ATOM 1497 CB ALA A 92 7.214 -3.701 5.085 1.00 0.59 C ATOM 0 H ALA A 92 9.590 -3.055 4.987 1.00 0.50 H new ATOM 0 HA ALA A 92 7.171 -1.729 4.286 1.00 0.52 H new ATOM 0 HB1 ALA A 92 6.136 -3.752 5.241 1.00 0.59 H new ATOM 0 HB2 ALA A 92 7.463 -4.146 4.121 1.00 0.59 H new ATOM 0 HB3 ALA A 92 7.722 -4.249 5.879 1.00 0.59 H new ATOM 1503 N ARG A 93 8.031 -1.818 7.445 1.00 0.50 N ATOM 1504 CA ARG A 93 7.739 -1.244 8.728 1.00 0.51 C ATOM 1505 C ARG A 93 7.745 0.282 8.694 1.00 0.49 C ATOM 1506 O ARG A 93 6.954 0.936 9.381 1.00 0.51 O ATOM 1507 CB ARG A 93 8.696 -1.723 9.730 1.00 0.57 C ATOM 1508 CG ARG A 93 8.054 -1.643 11.057 1.00 0.69 C ATOM 1509 CD ARG A 93 9.086 -1.691 11.774 1.00 1.21 C ATOM 1510 NE ARG A 93 8.868 -1.557 13.022 1.00 1.69 N ATOM 1511 CZ ARG A 93 9.885 -1.443 13.607 1.00 2.28 C ATOM 1512 NH1 ARG A 93 11.009 -1.427 13.003 1.00 2.64 N ATOM 1513 NH2 ARG A 93 9.891 -1.364 14.729 1.00 3.13 N ATOM 0 H ARG A 93 8.878 -2.385 7.415 1.00 0.50 H new ATOM 0 HA ARG A 93 6.733 -1.564 9.000 1.00 0.51 H new ATOM 0 HB2 ARG A 93 8.992 -2.749 9.512 1.00 0.57 H new ATOM 0 HB3 ARG A 93 9.603 -1.118 9.709 1.00 0.57 H new ATOM 0 HG2 ARG A 93 7.486 -0.723 11.196 1.00 0.69 H new ATOM 0 HG3 ARG A 93 7.371 -2.471 11.246 1.00 0.69 H new ATOM 0 HD2 ARG A 93 9.586 -2.645 11.606 1.00 1.21 H new ATOM 0 HD3 ARG A 93 9.774 -0.909 11.452 1.00 1.21 H new ATOM 0 HE ARG A 93 7.944 -1.549 13.454 1.00 1.69 H new ATOM 0 HH11 ARG A 93 11.043 -1.514 11.987 1.00 2.64 H new ATOM 0 HH12 ARG A 93 11.873 -1.327 13.536 1.00 2.64 H new ATOM 0 HH21 ARG A 93 9.013 -1.391 15.247 1.00 3.13 H new ATOM 0 HH22 ARG A 93 10.775 -1.266 15.229 1.00 3.13 H new ATOM 1527 N LYS A 94 8.628 0.840 7.879 1.00 0.49 N ATOM 1528 CA LYS A 94 8.724 2.285 7.728 1.00 0.50 C ATOM 1529 C LYS A 94 7.478 2.851 7.064 1.00 0.47 C ATOM 1530 O LYS A 94 7.034 3.952 7.394 1.00 0.50 O ATOM 1531 CB LYS A 94 9.942 2.634 6.911 1.00 0.55 C ATOM 1532 CG LYS A 94 11.148 2.792 7.750 1.00 0.63 C ATOM 1533 CD LYS A 94 12.208 3.390 6.967 1.00 0.87 C ATOM 1534 CE LYS A 94 12.885 4.212 7.912 1.00 1.39 C ATOM 1535 NZ LYS A 94 14.165 3.834 7.986 1.00 2.08 N ATOM 0 H LYS A 94 9.290 0.312 7.310 1.00 0.49 H new ATOM 0 HA LYS A 94 8.812 2.726 8.721 1.00 0.50 H new ATOM 0 HB2 LYS A 94 10.116 1.854 6.170 1.00 0.55 H new ATOM 0 HB3 LYS A 94 9.758 3.559 6.364 1.00 0.55 H new ATOM 0 HG2 LYS A 94 10.923 3.417 8.614 1.00 0.63 H new ATOM 0 HG3 LYS A 94 11.467 1.822 8.133 1.00 0.63 H new ATOM 0 HD2 LYS A 94 12.870 2.635 6.542 1.00 0.87 H new ATOM 0 HD3 LYS A 94 11.814 3.973 6.135 1.00 0.87 H new ATOM 0 HE2 LYS A 94 12.819 5.259 7.615 1.00 1.39 H new ATOM 0 HE3 LYS A 94 12.411 4.128 8.890 1.00 1.39 H new ATOM 0 HZ1 LYS A 94 14.664 4.432 8.675 1.00 2.08 H new ATOM 0 HZ2 LYS A 94 14.217 2.840 8.288 1.00 2.08 H new ATOM 0 HZ3 LYS A 94 14.612 3.936 7.052 1.00 2.08 H new ATOM 1549 N LEU A 95 6.916 2.084 6.138 1.00 0.45 N ATOM 1550 CA LEU A 95 5.717 2.481 5.446 1.00 0.44 C ATOM 1551 C LEU A 95 4.485 2.335 6.283 1.00 0.42 C ATOM 1552 O LEU A 95 3.523 3.099 6.153 1.00 0.44 O ATOM 1553 CB LEU A 95 5.563 1.669 4.193 1.00 0.50 C ATOM 1554 CG LEU A 95 5.902 2.604 3.149 1.00 0.77 C ATOM 1555 CD1 LEU A 95 6.874 2.192 2.097 1.00 1.50 C ATOM 1556 CD2 LEU A 95 4.739 2.949 2.339 1.00 1.25 C ATOM 0 H LEU A 95 7.283 1.176 5.854 1.00 0.45 H new ATOM 0 HA LEU A 95 5.825 3.539 5.209 1.00 0.44 H new ATOM 0 HB2 LEU A 95 6.227 0.804 4.190 1.00 0.50 H new ATOM 0 HB3 LEU A 95 4.547 1.291 4.081 1.00 0.50 H new ATOM 0 HG LEU A 95 6.337 3.392 3.764 1.00 0.77 H new ATOM 0 HD11 LEU A 95 7.016 3.011 1.392 1.00 1.50 H new ATOM 0 HD12 LEU A 95 7.828 1.943 2.561 1.00 1.50 H new ATOM 0 HD13 LEU A 95 6.490 1.320 1.568 1.00 1.50 H new ATOM 0 HD21 LEU A 95 5.033 3.655 1.563 1.00 1.25 H new ATOM 0 HD22 LEU A 95 4.338 2.047 1.876 1.00 1.25 H new ATOM 0 HD23 LEU A 95 3.976 3.402 2.972 1.00 1.25 H new ATOM 1568 N GLN A 96 4.511 1.341 7.133 1.00 0.42 N ATOM 1569 CA GLN A 96 3.400 1.070 8.001 1.00 0.45 C ATOM 1570 C GLN A 96 3.126 2.203 8.954 1.00 0.46 C ATOM 1571 O GLN A 96 1.976 2.528 9.243 1.00 0.49 O ATOM 1572 CB GLN A 96 3.685 -0.149 8.764 1.00 0.52 C ATOM 1573 CG GLN A 96 2.591 -1.041 8.650 1.00 0.91 C ATOM 1574 CD GLN A 96 2.413 -1.616 9.957 1.00 1.36 C ATOM 1575 OE1 GLN A 96 2.364 -0.988 11.027 1.00 1.80 O ATOM 1576 NE2 GLN A 96 2.342 -2.786 9.935 1.00 2.20 N ATOM 0 H GLN A 96 5.299 0.702 7.241 1.00 0.42 H new ATOM 0 HA GLN A 96 2.512 0.946 7.381 1.00 0.45 H new ATOM 0 HB2 GLN A 96 4.594 -0.621 8.391 1.00 0.52 H new ATOM 0 HB3 GLN A 96 3.861 0.097 9.811 1.00 0.52 H new ATOM 0 HG2 GLN A 96 1.691 -0.516 8.328 1.00 0.91 H new ATOM 0 HG3 GLN A 96 2.792 -1.813 7.908 1.00 0.91 H new ATOM 0 HE21 GLN A 96 2.384 -3.283 9.045 1.00 2.20 H new ATOM 0 HE22 GLN A 96 2.238 -3.307 10.806 1.00 2.20 H new ATOM 1585 N ASP A 97 4.190 2.799 9.441 1.00 0.48 N ATOM 1586 CA ASP A 97 4.078 3.911 10.356 1.00 0.54 C ATOM 1587 C ASP A 97 3.454 5.112 9.695 1.00 0.53 C ATOM 1588 O ASP A 97 2.655 5.824 10.300 1.00 0.58 O ATOM 1589 CB ASP A 97 5.455 4.324 10.801 1.00 0.62 C ATOM 1590 CG ASP A 97 5.833 3.808 12.079 1.00 1.15 C ATOM 1591 OD1 ASP A 97 4.902 3.477 12.886 1.00 1.96 O ATOM 1592 OD2 ASP A 97 7.086 3.808 12.281 1.00 1.71 O ATOM 0 H ASP A 97 5.148 2.530 9.217 1.00 0.48 H new ATOM 0 HA ASP A 97 3.457 3.587 11.191 1.00 0.54 H new ATOM 0 HB2 ASP A 97 6.180 3.992 10.058 1.00 0.62 H new ATOM 0 HB3 ASP A 97 5.505 5.412 10.831 1.00 0.62 H new ATOM 1597 N VAL A 98 3.847 5.347 8.463 1.00 0.51 N ATOM 1598 CA VAL A 98 3.339 6.468 7.707 1.00 0.55 C ATOM 1599 C VAL A 98 1.874 6.298 7.373 1.00 0.53 C ATOM 1600 O VAL A 98 1.112 7.267 7.376 1.00 0.59 O ATOM 1601 CB VAL A 98 4.096 6.601 6.387 1.00 0.61 C ATOM 1602 CG1 VAL A 98 3.679 7.705 5.629 1.00 1.04 C ATOM 1603 CG2 VAL A 98 5.465 6.866 6.625 1.00 1.00 C ATOM 0 H VAL A 98 4.522 4.771 7.961 1.00 0.51 H new ATOM 0 HA VAL A 98 3.473 7.354 8.328 1.00 0.55 H new ATOM 0 HB VAL A 98 3.911 5.662 5.866 1.00 0.61 H new ATOM 0 HG11 VAL A 98 4.252 7.748 4.703 1.00 1.04 H new ATOM 0 HG12 VAL A 98 2.619 7.607 5.396 1.00 1.04 H new ATOM 0 HG13 VAL A 98 3.842 8.620 6.199 1.00 1.04 H new ATOM 0 HG21 VAL A 98 5.989 6.958 5.673 1.00 1.00 H new ATOM 0 HG22 VAL A 98 5.564 7.796 7.185 1.00 1.00 H new ATOM 0 HG23 VAL A 98 5.899 6.049 7.201 1.00 1.00 H new ATOM 1613 N PHE A 99 1.500 5.071 7.067 1.00 0.52 N ATOM 1614 CA PHE A 99 0.137 4.761 6.719 1.00 0.57 C ATOM 1615 C PHE A 99 -0.791 4.990 7.887 1.00 0.56 C ATOM 1616 O PHE A 99 -1.896 5.498 7.748 1.00 0.57 O ATOM 1617 CB PHE A 99 0.057 3.329 6.259 1.00 0.67 C ATOM 1618 CG PHE A 99 -1.122 3.081 5.379 1.00 0.82 C ATOM 1619 CD1 PHE A 99 -1.316 3.744 4.292 1.00 1.63 C ATOM 1620 CD2 PHE A 99 -2.011 2.192 5.659 1.00 1.38 C ATOM 1621 CE1 PHE A 99 -2.419 3.509 3.479 1.00 1.78 C ATOM 1622 CE2 PHE A 99 -3.107 1.972 4.830 1.00 1.55 C ATOM 1623 CZ PHE A 99 -3.261 2.637 3.782 1.00 1.30 C ATOM 0 H PHE A 99 2.131 4.270 7.054 1.00 0.52 H new ATOM 0 HA PHE A 99 -0.179 5.424 5.913 1.00 0.57 H new ATOM 0 HB2 PHE A 99 0.969 3.071 5.721 1.00 0.67 H new ATOM 0 HB3 PHE A 99 0.003 2.673 7.128 1.00 0.67 H new ATOM 0 HD1 PHE A 99 -0.603 4.503 4.004 1.00 1.63 H new ATOM 0 HD2 PHE A 99 -1.903 1.604 6.558 1.00 1.38 H new ATOM 0 HE1 PHE A 99 -2.549 4.086 2.576 1.00 1.78 H new ATOM 0 HE2 PHE A 99 -3.833 1.218 5.095 1.00 1.55 H new ATOM 0 HZ PHE A 99 -4.114 2.459 3.144 1.00 1.30 H new ATOM 1633 N GLU A 100 -0.312 4.623 9.053 1.00 0.61 N ATOM 1634 CA GLU A 100 -1.044 4.799 10.249 1.00 0.69 C ATOM 1635 C GLU A 100 -1.360 6.228 10.564 1.00 0.69 C ATOM 1636 O GLU A 100 -2.465 6.566 11.011 1.00 0.75 O ATOM 1637 CB GLU A 100 -0.249 4.217 11.366 1.00 0.81 C ATOM 1638 CG GLU A 100 -1.177 3.398 11.893 1.00 1.34 C ATOM 1639 CD GLU A 100 -0.737 2.552 12.901 1.00 1.93 C ATOM 1640 OE1 GLU A 100 -0.072 1.513 12.543 1.00 2.63 O ATOM 1641 OE2 GLU A 100 -1.229 2.829 14.038 1.00 2.54 O ATOM 0 H GLU A 100 0.604 4.193 9.181 1.00 0.61 H new ATOM 0 HA GLU A 100 -2.003 4.298 10.119 1.00 0.69 H new ATOM 0 HB2 GLU A 100 0.634 3.681 11.017 1.00 0.81 H new ATOM 0 HB3 GLU A 100 0.095 4.971 12.074 1.00 0.81 H new ATOM 0 HG2 GLU A 100 -1.990 4.008 12.286 1.00 1.34 H new ATOM 0 HG3 GLU A 100 -1.594 2.789 11.091 1.00 1.34 H new ATOM 1648 N PHE A 101 -0.380 7.049 10.333 1.00 0.66 N ATOM 1649 CA PHE A 101 -0.513 8.450 10.576 1.00 0.73 C ATOM 1650 C PHE A 101 -1.505 9.095 9.655 1.00 0.69 C ATOM 1651 O PHE A 101 -2.255 9.991 10.034 1.00 0.77 O ATOM 1652 CB PHE A 101 0.842 9.117 10.396 1.00 0.80 C ATOM 1653 CG PHE A 101 1.337 9.775 11.612 1.00 1.03 C ATOM 1654 CD1 PHE A 101 0.656 9.817 12.697 1.00 1.64 C ATOM 1655 CD2 PHE A 101 2.481 10.348 11.651 1.00 1.72 C ATOM 1656 CE1 PHE A 101 1.117 10.429 13.817 1.00 1.90 C ATOM 1657 CE2 PHE A 101 2.926 10.963 12.802 1.00 1.96 C ATOM 1658 CZ PHE A 101 2.226 10.975 13.829 1.00 1.70 C ATOM 0 H PHE A 101 0.531 6.766 9.972 1.00 0.66 H new ATOM 0 HA PHE A 101 -0.877 8.577 11.596 1.00 0.73 H new ATOM 0 HB2 PHE A 101 1.567 8.368 10.077 1.00 0.80 H new ATOM 0 HB3 PHE A 101 0.772 9.854 9.596 1.00 0.80 H new ATOM 0 HD1 PHE A 101 -0.317 9.350 12.721 1.00 1.64 H new ATOM 0 HD2 PHE A 101 3.106 10.350 10.770 1.00 1.72 H new ATOM 0 HE1 PHE A 101 0.508 10.439 14.709 1.00 1.90 H new ATOM 0 HE2 PHE A 101 3.895 11.440 12.811 1.00 1.96 H new ATOM 0 HZ PHE A 101 2.584 11.459 14.726 1.00 1.70 H new ATOM 1668 N ARG A 102 -1.520 8.631 8.429 1.00 0.62 N ATOM 1669 CA ARG A 102 -2.435 9.157 7.442 1.00 0.66 C ATOM 1670 C ARG A 102 -3.843 8.628 7.659 1.00 0.67 C ATOM 1671 O ARG A 102 -4.820 9.312 7.363 1.00 0.74 O ATOM 1672 CB ARG A 102 -2.025 8.638 6.079 1.00 0.72 C ATOM 1673 CG ARG A 102 -1.309 9.363 5.186 1.00 1.10 C ATOM 1674 CD ARG A 102 -0.941 10.453 5.617 1.00 1.47 C ATOM 1675 NE ARG A 102 -0.190 10.866 4.535 1.00 2.08 N ATOM 1676 CZ ARG A 102 -0.057 11.999 4.415 1.00 2.60 C ATOM 1677 NH1 ARG A 102 -0.618 12.751 5.208 1.00 2.93 N ATOM 1678 NH2 ARG A 102 0.625 12.481 3.561 1.00 3.25 N ATOM 0 H ARG A 102 -0.908 7.889 8.089 1.00 0.62 H new ATOM 0 HA ARG A 102 -2.412 10.244 7.518 1.00 0.66 H new ATOM 0 HB2 ARG A 102 -1.458 7.724 6.257 1.00 0.72 H new ATOM 0 HB3 ARG A 102 -2.945 8.349 5.572 1.00 0.72 H new ATOM 0 HG2 ARG A 102 -0.434 8.788 4.883 1.00 1.10 H new ATOM 0 HG3 ARG A 102 -1.912 9.521 4.292 1.00 1.10 H new ATOM 0 HD2 ARG A 102 -1.773 11.123 5.834 1.00 1.47 H new ATOM 0 HD3 ARG A 102 -0.353 10.369 6.531 1.00 1.47 H new ATOM 0 HE ARG A 102 0.223 10.202 3.880 1.00 2.08 H new ATOM 0 HH11 ARG A 102 -1.191 12.365 5.958 1.00 2.93 H new ATOM 0 HH12 ARG A 102 -0.511 13.761 5.116 1.00 2.93 H new ATOM 0 HH21 ARG A 102 1.118 11.879 2.901 1.00 3.25 H new ATOM 0 HH22 ARG A 102 0.715 13.495 3.491 1.00 3.25 H new ATOM 1692 N TYR A 103 -3.933 7.405 8.152 1.00 0.66 N ATOM 1693 CA TYR A 103 -5.212 6.793 8.397 1.00 0.78 C ATOM 1694 C TYR A 103 -6.005 7.556 9.433 1.00 0.88 C ATOM 1695 O TYR A 103 -7.224 7.520 9.462 1.00 1.00 O ATOM 1696 CB TYR A 103 -4.994 5.386 8.869 1.00 0.89 C ATOM 1697 CG TYR A 103 -6.058 4.436 8.387 1.00 0.86 C ATOM 1698 CD1 TYR A 103 -6.329 4.254 7.132 1.00 1.63 C ATOM 1699 CD2 TYR A 103 -6.754 3.722 9.209 1.00 1.31 C ATOM 1700 CE1 TYR A 103 -7.288 3.325 6.706 1.00 1.67 C ATOM 1701 CE2 TYR A 103 -7.718 2.824 8.783 1.00 1.36 C ATOM 1702 CZ TYR A 103 -7.947 2.648 7.559 1.00 1.00 C ATOM 1703 OH TYR A 103 -8.818 1.660 7.166 1.00 1.14 O ATOM 0 H TYR A 103 -3.130 6.822 8.388 1.00 0.66 H new ATOM 0 HA TYR A 103 -5.782 6.802 7.468 1.00 0.78 H new ATOM 0 HB2 TYR A 103 -4.020 5.039 8.524 1.00 0.89 H new ATOM 0 HB3 TYR A 103 -4.969 5.373 9.959 1.00 0.89 H new ATOM 0 HD1 TYR A 103 -5.799 4.836 6.392 1.00 1.63 H new ATOM 0 HD2 TYR A 103 -6.577 3.830 10.269 1.00 1.31 H new ATOM 0 HE1 TYR A 103 -7.468 3.183 5.651 1.00 1.67 H new ATOM 0 HE2 TYR A 103 -8.283 2.265 9.514 1.00 1.36 H new ATOM 0 HH TYR A 103 -9.229 1.252 7.957 1.00 1.14 H new ATOM 1713 N ALA A 104 -5.290 8.270 10.297 1.00 0.88 N ATOM 1714 CA ALA A 104 -5.928 9.053 11.340 1.00 1.05 C ATOM 1715 C ALA A 104 -6.645 10.241 10.769 1.00 1.03 C ATOM 1716 O ALA A 104 -7.693 10.657 11.259 1.00 1.13 O ATOM 1717 CB ALA A 104 -4.887 9.481 12.330 1.00 1.18 C ATOM 0 H ALA A 104 -4.271 8.320 10.293 1.00 0.88 H new ATOM 0 HA ALA A 104 -6.677 8.439 11.840 1.00 1.05 H new ATOM 0 HB1 ALA A 104 -5.355 10.070 13.118 1.00 1.18 H new ATOM 0 HB2 ALA A 104 -4.416 8.600 12.766 1.00 1.18 H new ATOM 0 HB3 ALA A 104 -4.132 10.084 11.826 1.00 1.18 H new ATOM 1723 N LYS A 105 -6.082 10.788 9.741 1.00 1.01 N ATOM 1724 CA LYS A 105 -6.659 11.911 9.111 1.00 1.11 C ATOM 1725 C LYS A 105 -7.622 11.581 8.020 1.00 1.08 C ATOM 1726 O LYS A 105 -8.332 12.448 7.501 1.00 1.22 O ATOM 1727 CB LYS A 105 -5.559 12.629 8.599 1.00 1.20 C ATOM 1728 CG LYS A 105 -5.044 13.492 9.677 1.00 1.58 C ATOM 1729 CD LYS A 105 -5.013 14.385 8.808 1.00 2.18 C ATOM 1730 CE LYS A 105 -4.796 15.558 8.917 1.00 2.88 C ATOM 1731 NZ LYS A 105 -3.866 16.141 9.494 1.00 3.60 N ATOM 0 H LYS A 105 -5.211 10.463 9.321 1.00 1.01 H new ATOM 0 HA LYS A 105 -7.260 12.472 9.827 1.00 1.11 H new ATOM 0 HB2 LYS A 105 -4.784 11.945 8.254 1.00 1.20 H new ATOM 0 HB3 LYS A 105 -5.860 13.229 7.740 1.00 1.20 H new ATOM 0 HG2 LYS A 105 -5.721 13.664 10.514 1.00 1.58 H new ATOM 0 HG3 LYS A 105 -4.081 13.204 10.099 1.00 1.58 H new ATOM 0 HD2 LYS A 105 -4.277 14.036 8.083 1.00 2.18 H new ATOM 0 HD3 LYS A 105 -5.988 14.330 8.324 1.00 2.18 H new ATOM 0 HE2 LYS A 105 -4.760 15.928 7.892 1.00 2.88 H new ATOM 0 HE3 LYS A 105 -5.700 15.964 9.371 1.00 2.88 H new ATOM 0 HZ1 LYS A 105 -3.985 17.169 9.393 1.00 3.60 H new ATOM 0 HZ2 LYS A 105 -3.871 15.889 10.503 1.00 3.60 H new ATOM 0 HZ3 LYS A 105 -2.960 15.854 9.071 1.00 3.60 H new ATOM 1745 N MET A 106 -7.641 10.347 7.677 1.00 1.02 N ATOM 1746 CA MET A 106 -8.502 9.874 6.657 1.00 1.09 C ATOM 1747 C MET A 106 -9.948 10.154 6.915 1.00 1.16 C ATOM 1748 O MET A 106 -10.655 10.724 6.080 1.00 1.26 O ATOM 1749 CB MET A 106 -8.317 8.398 6.597 1.00 1.22 C ATOM 1750 CG MET A 106 -7.975 7.980 5.304 1.00 1.37 C ATOM 1751 SD MET A 106 -8.187 6.257 5.227 1.00 1.80 S ATOM 1752 CE MET A 106 -9.596 6.455 4.252 1.00 1.84 C ATOM 0 H MET A 106 -7.054 9.629 8.100 1.00 1.02 H new ATOM 0 HA MET A 106 -8.246 10.386 5.729 1.00 1.09 H new ATOM 0 HB2 MET A 106 -7.537 8.098 7.297 1.00 1.22 H new ATOM 0 HB3 MET A 106 -9.235 7.901 6.911 1.00 1.22 H new ATOM 0 HG2 MET A 106 -8.604 8.475 4.564 1.00 1.37 H new ATOM 0 HG3 MET A 106 -6.943 8.248 5.077 1.00 1.37 H new ATOM 0 HE1 MET A 106 -10.432 5.924 4.708 1.00 1.84 H new ATOM 0 HE2 MET A 106 -9.838 7.515 4.174 1.00 1.84 H new ATOM 0 HE3 MET A 106 -9.410 6.051 3.257 1.00 1.84 H new ATOM 1762 N PRO A 107 -10.403 9.744 8.088 1.00 1.21 N ATOM 1763 CA PRO A 107 -11.729 9.926 8.481 1.00 1.39 C ATOM 1764 C PRO A 107 -11.847 11.205 8.258 1.00 1.50 C ATOM 1765 O PRO A 107 -10.829 11.964 8.465 1.00 1.82 O ATOM 1766 CB PRO A 107 -11.826 9.614 9.907 1.00 1.58 C ATOM 1767 CG PRO A 107 -10.567 8.976 10.230 1.00 1.56 C ATOM 1768 CD PRO A 107 -9.635 9.126 9.110 1.00 1.23 C ATOM 0 HA PRO A 107 -12.485 9.319 7.984 1.00 1.39 H new ATOM 0 HB2 PRO A 107 -11.977 10.516 10.500 1.00 1.58 H new ATOM 0 HB3 PRO A 107 -12.669 8.953 10.111 1.00 1.58 H new ATOM 0 HG2 PRO A 107 -10.143 9.421 11.130 1.00 1.56 H new ATOM 0 HG3 PRO A 107 -10.728 7.919 10.442 1.00 1.56 H new ATOM 0 HD2 PRO A 107 -8.777 9.739 9.387 1.00 1.23 H new ATOM 0 HD3 PRO A 107 -9.246 8.161 8.785 1.00 1.23 H new ATOM 1776 N ASP A 108 -12.981 11.480 7.759 1.00 1.69 N ATOM 1777 CA ASP A 108 -13.345 12.662 7.391 1.00 1.93 C ATOM 1778 C ASP A 108 -13.345 13.113 8.372 1.00 2.46 C ATOM 1779 O ASP A 108 -12.323 13.037 9.218 1.00 3.17 O ATOM 1780 CB ASP A 108 -14.673 12.615 6.988 1.00 2.43 C ATOM 1781 CG ASP A 108 -14.941 13.671 6.108 1.00 2.86 C ATOM 1782 OD1 ASP A 108 -14.087 14.624 6.062 1.00 3.24 O ATOM 1783 OD2 ASP A 108 -16.013 13.576 5.604 1.00 3.42 O ATOM 0 H ASP A 108 -13.701 10.774 7.609 1.00 1.69 H new ATOM 0 HA ASP A 108 -12.755 13.127 6.601 1.00 1.93 H new ATOM 0 HB2 ASP A 108 -14.881 11.662 6.501 1.00 2.43 H new ATOM 0 HB3 ASP A 108 -15.328 12.679 7.857 1.00 2.43 H new