USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 102 LYS NZ :NH3+ -131:sc= 1.19 (180deg=1.05) USER MOD Single : A 103 TYR OH : rot 167:sc= 0.251 USER MOD Single : A 108 MET CE :methyl -162:sc= -0.133 (180deg=-0.665) USER MOD Single : A 111 LYS NZ :NH3+ -153:sc= 0.949 (180deg=-0.137) USER MOD Single : A 113 SER OG : rot 90:sc= 1.25 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-8.7!) USER MOD Single : A 122 MET CE :methyl -176:sc= -7.41! (180deg=-7.64!) USER MOD Single : A 123 GLN : amide:sc= -0.831 K(o=-0.83,f=0) USER MOD Single : A 126 THR OG1 : rot 69:sc= 1.13 USER MOD Single : A 131 LYS NZ :NH3+ -132:sc= 1.12 (180deg=0.318) USER MOD Single : A 133 GLN : amide:sc= -1.45 K(o=-1.4,f=-6.1!) USER MOD Single : A 134 LYS NZ :NH3+ -172:sc= 1.04 (180deg=0.893) USER MOD Single : B 101 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : B 102 LYS NZ :NH3+ -139:sc= 1.19 (180deg=1.04) USER MOD Single : B 103 TYR OH : rot 168:sc= 0.259 USER MOD Single : B 108 MET CE :methyl -162:sc= -0.161 (180deg=-0.7) USER MOD Single : B 111 LYS NZ :NH3+ -144:sc= 0.935 (180deg=-0.202) USER MOD Single : B 113 SER OG : rot 88:sc= 1.18 USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 HIS : no HD1:sc= -3.95! C(o=-3.9!,f=-9!) USER MOD Single : B 122 MET CE :methyl 180:sc= -7.44! (180deg=-7.44!) USER MOD Single : B 123 GLN : amide:sc= -0.823 K(o=-0.82,f=0) USER MOD Single : B 126 THR OG1 : rot 70:sc= 1.2 USER MOD Single : B 131 LYS NZ :NH3+ -135:sc= 1.1 (180deg=0.279) USER MOD Single : B 133 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.1!) USER MOD Single : B 134 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 99 -14.940 2.279 -7.508 1.00 4.97 N ATOM 2 CA PRO A 99 -15.851 3.148 -6.759 1.00 4.83 C ATOM 3 C PRO A 99 -15.118 4.009 -5.742 1.00 4.33 C ATOM 4 O PRO A 99 -14.092 3.613 -5.186 1.00 4.07 O ATOM 5 CB PRO A 99 -16.769 2.154 -6.057 1.00 5.14 C ATOM 6 CG PRO A 99 -15.908 0.966 -5.842 1.00 5.27 C ATOM 7 CD PRO A 99 -15.028 0.880 -7.059 1.00 5.29 C ATOM 0 HA PRO A 99 -16.374 3.856 -7.403 1.00 4.83 H new ATOM 0 HB2 PRO A 99 -17.143 2.552 -5.114 1.00 5.14 H new ATOM 0 HB3 PRO A 99 -17.638 1.912 -6.668 1.00 5.14 H new ATOM 0 HG2 PRO A 99 -15.313 1.072 -4.935 1.00 5.27 H new ATOM 0 HG3 PRO A 99 -16.507 0.063 -5.727 1.00 5.27 H new ATOM 0 HD2 PRO A 99 -14.046 0.472 -6.818 1.00 5.29 H new ATOM 0 HD3 PRO A 99 -15.462 0.237 -7.825 1.00 5.29 H new ATOM 15 N GLU A 100 -15.674 5.181 -5.494 1.00 4.31 N ATOM 16 CA GLU A 100 -15.013 6.183 -4.675 1.00 4.02 C ATOM 17 C GLU A 100 -15.150 5.892 -3.185 1.00 3.83 C ATOM 18 O GLU A 100 -14.194 6.064 -2.434 1.00 3.64 O ATOM 19 CB GLU A 100 -15.551 7.576 -5.003 1.00 4.28 C ATOM 20 CG GLU A 100 -14.794 8.696 -4.308 1.00 4.51 C ATOM 21 CD GLU A 100 -15.191 10.065 -4.811 1.00 4.77 C ATOM 22 OE1 GLU A 100 -16.098 10.682 -4.222 1.00 4.99 O ATOM 23 OE2 GLU A 100 -14.601 10.530 -5.810 1.00 5.13 O ATOM 0 H GLU A 100 -16.587 5.464 -5.850 1.00 4.31 H new ATOM 0 HA GLU A 100 -13.950 6.147 -4.911 1.00 4.02 H new ATOM 0 HB2 GLU A 100 -15.504 7.731 -6.081 1.00 4.28 H new ATOM 0 HB3 GLU A 100 -16.602 7.627 -4.719 1.00 4.28 H new ATOM 0 HG2 GLU A 100 -14.975 8.641 -3.235 1.00 4.51 H new ATOM 0 HG3 GLU A 100 -13.724 8.554 -4.458 1.00 4.51 H new ATOM 30 N ASN A 101 -16.320 5.450 -2.741 1.00 4.05 N ATOM 31 CA ASN A 101 -16.550 5.169 -1.325 1.00 4.10 C ATOM 32 C ASN A 101 -16.188 3.731 -0.999 1.00 3.98 C ATOM 33 O ASN A 101 -15.457 3.464 -0.047 1.00 4.07 O ATOM 34 CB ASN A 101 -18.014 5.438 -0.964 1.00 4.55 C ATOM 35 CG ASN A 101 -18.318 5.171 0.499 1.00 4.76 C ATOM 36 OD1 ASN A 101 -18.665 4.052 0.876 1.00 5.19 O ATOM 37 ND2 ASN A 101 -18.206 6.196 1.330 1.00 4.68 N ATOM 0 H ASN A 101 -17.127 5.277 -3.340 1.00 4.05 H new ATOM 0 HA ASN A 101 -15.913 5.828 -0.735 1.00 4.10 H new ATOM 0 HB2 ASN A 101 -18.256 6.475 -1.197 1.00 4.55 H new ATOM 0 HB3 ASN A 101 -18.657 4.813 -1.584 1.00 4.55 H new ATOM 0 HD21 ASN A 101 -18.410 6.073 2.322 1.00 4.68 H new ATOM 0 HD22 ASN A 101 -17.915 7.108 0.978 1.00 4.68 H new ATOM 44 N LYS A 102 -16.730 2.808 -1.795 1.00 3.93 N ATOM 45 CA LYS A 102 -16.459 1.378 -1.635 1.00 3.87 C ATOM 46 C LYS A 102 -14.962 1.067 -1.720 1.00 3.43 C ATOM 47 O LYS A 102 -14.549 -0.059 -1.476 1.00 3.32 O ATOM 48 CB LYS A 102 -17.211 0.562 -2.688 1.00 4.20 C ATOM 49 CG LYS A 102 -17.530 -0.860 -2.243 1.00 4.62 C ATOM 50 CD LYS A 102 -17.876 -1.757 -3.422 1.00 5.18 C ATOM 51 CE LYS A 102 -16.650 -2.497 -3.941 1.00 5.68 C ATOM 52 NZ LYS A 102 -16.209 -3.571 -3.008 1.00 6.27 N ATOM 0 H LYS A 102 -17.364 3.028 -2.563 1.00 3.93 H new ATOM 0 HA LYS A 102 -16.809 1.098 -0.641 1.00 3.87 H new ATOM 0 HB2 LYS A 102 -18.141 1.074 -2.936 1.00 4.20 H new ATOM 0 HB3 LYS A 102 -16.615 0.524 -3.600 1.00 4.20 H new ATOM 0 HG2 LYS A 102 -16.674 -1.274 -1.710 1.00 4.62 H new ATOM 0 HG3 LYS A 102 -18.365 -0.843 -1.542 1.00 4.62 H new ATOM 0 HD2 LYS A 102 -18.636 -2.478 -3.121 1.00 5.18 H new ATOM 0 HD3 LYS A 102 -18.306 -1.156 -4.224 1.00 5.18 H new ATOM 0 HE2 LYS A 102 -16.875 -2.933 -4.915 1.00 5.68 H new ATOM 0 HE3 LYS A 102 -15.835 -1.789 -4.089 1.00 5.68 H new ATOM 0 HZ1 LYS A 102 -15.186 -3.488 -2.842 1.00 6.27 H new ATOM 0 HZ2 LYS A 102 -16.716 -3.476 -2.105 1.00 6.27 H new ATOM 0 HZ3 LYS A 102 -16.417 -4.501 -3.425 1.00 6.27 H new ATOM 66 N TYR A 103 -14.157 2.065 -2.058 1.00 3.24 N ATOM 67 CA TYR A 103 -12.708 1.960 -2.041 1.00 2.85 C ATOM 68 C TYR A 103 -12.215 1.694 -0.616 1.00 2.57 C ATOM 69 O TYR A 103 -11.196 1.033 -0.413 1.00 2.28 O ATOM 70 CB TYR A 103 -12.127 3.269 -2.594 1.00 2.82 C ATOM 71 CG TYR A 103 -10.615 3.370 -2.601 1.00 2.56 C ATOM 72 CD1 TYR A 103 -9.837 2.519 -3.374 1.00 2.69 C ATOM 73 CD2 TYR A 103 -9.974 4.351 -1.857 1.00 2.76 C ATOM 74 CE1 TYR A 103 -8.461 2.646 -3.402 1.00 2.58 C ATOM 75 CE2 TYR A 103 -8.601 4.481 -1.873 1.00 2.65 C ATOM 76 CZ TYR A 103 -7.847 3.627 -2.648 1.00 2.31 C ATOM 77 OH TYR A 103 -6.476 3.762 -2.688 1.00 2.31 O ATOM 0 H TYR A 103 -14.497 2.980 -2.355 1.00 3.24 H new ATOM 0 HA TYR A 103 -12.379 1.126 -2.661 1.00 2.85 H new ATOM 0 HB2 TYR A 103 -12.486 3.401 -3.615 1.00 2.82 H new ATOM 0 HB3 TYR A 103 -12.525 4.097 -2.007 1.00 2.82 H new ATOM 0 HD1 TYR A 103 -10.313 1.748 -3.961 1.00 2.69 H new ATOM 0 HD2 TYR A 103 -10.562 5.026 -1.253 1.00 2.76 H new ATOM 0 HE1 TYR A 103 -7.868 1.980 -4.011 1.00 2.58 H new ATOM 0 HE2 TYR A 103 -8.120 5.247 -1.282 1.00 2.65 H new ATOM 0 HH TYR A 103 -6.219 4.613 -2.276 1.00 2.31 H new ATOM 87 N LEU A 104 -12.959 2.198 0.368 1.00 2.70 N ATOM 88 CA LEU A 104 -12.616 2.047 1.777 1.00 2.55 C ATOM 89 C LEU A 104 -12.720 0.582 2.236 1.00 2.53 C ATOM 90 O LEU A 104 -11.739 0.026 2.733 1.00 2.25 O ATOM 91 CB LEU A 104 -13.517 2.962 2.618 1.00 2.85 C ATOM 92 CG LEU A 104 -13.343 2.874 4.134 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.920 3.224 4.529 1.00 2.46 C ATOM 94 CD2 LEU A 104 -14.337 3.798 4.822 1.00 3.18 C ATOM 0 H LEU A 104 -13.818 2.723 0.207 1.00 2.70 H new ATOM 0 HA LEU A 104 -11.576 2.342 1.918 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -13.339 3.993 2.312 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.556 2.734 2.379 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.538 1.850 4.453 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.816 3.156 5.612 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -11.229 2.528 4.053 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.692 4.240 4.206 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -14.208 3.731 5.902 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -14.164 4.824 4.499 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -15.352 3.501 4.558 1.00 3.18 H new ATOM 106 N PRO A 105 -13.898 -0.078 2.082 1.00 2.88 N ATOM 107 CA PRO A 105 -14.056 -1.496 2.433 1.00 2.95 C ATOM 108 C PRO A 105 -13.137 -2.388 1.605 1.00 2.65 C ATOM 109 O PRO A 105 -12.747 -3.468 2.038 1.00 2.62 O ATOM 110 CB PRO A 105 -15.529 -1.792 2.136 1.00 3.43 C ATOM 111 CG PRO A 105 -15.918 -0.743 1.161 1.00 3.51 C ATOM 112 CD PRO A 105 -15.165 0.482 1.583 1.00 3.28 C ATOM 0 HA PRO A 105 -13.788 -1.695 3.471 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.659 -2.791 1.720 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.136 -1.741 3.040 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.658 -1.035 0.144 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -16.994 -0.569 1.177 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -15.006 1.167 0.750 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.695 1.038 2.356 1.00 3.28 H new ATOM 120 N GLU A 106 -12.794 -1.927 0.410 1.00 2.53 N ATOM 121 CA GLU A 106 -11.819 -2.614 -0.420 1.00 2.35 C ATOM 122 C GLU A 106 -10.470 -2.664 0.288 1.00 1.89 C ATOM 123 O GLU A 106 -9.819 -3.707 0.355 1.00 1.84 O ATOM 124 CB GLU A 106 -11.646 -1.854 -1.732 1.00 2.43 C ATOM 125 CG GLU A 106 -12.788 -2.012 -2.715 1.00 2.88 C ATOM 126 CD GLU A 106 -12.724 -3.312 -3.474 1.00 3.32 C ATOM 127 OE1 GLU A 106 -11.820 -3.460 -4.325 1.00 3.62 O ATOM 128 OE2 GLU A 106 -13.590 -4.178 -3.246 1.00 3.70 O ATOM 0 H GLU A 106 -13.178 -1.078 -0.005 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.173 -3.627 -0.610 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.522 -0.794 -1.508 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -10.725 -2.188 -2.210 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.735 -1.955 -2.178 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -12.772 -1.182 -3.421 1.00 2.88 H new ATOM 135 N LEU A 107 -10.075 -1.519 0.826 1.00 1.63 N ATOM 136 CA LEU A 107 -8.818 -1.392 1.544 1.00 1.23 C ATOM 137 C LEU A 107 -8.824 -2.244 2.800 1.00 1.08 C ATOM 138 O LEU A 107 -7.864 -2.948 3.076 1.00 0.96 O ATOM 139 CB LEU A 107 -8.576 0.062 1.923 1.00 1.21 C ATOM 140 CG LEU A 107 -8.357 1.012 0.754 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.330 2.446 1.238 1.00 1.42 C ATOM 142 CD2 LEU A 107 -7.062 0.676 0.041 1.00 1.20 C ATOM 0 H LEU A 107 -10.616 -0.656 0.777 1.00 1.63 H new ATOM 0 HA LEU A 107 -8.019 -1.737 0.888 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.429 0.416 2.502 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.705 0.110 2.576 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.184 0.897 0.053 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.173 3.113 0.391 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.279 2.686 1.717 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.519 2.573 1.955 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -6.917 1.363 -0.793 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.228 0.770 0.737 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -7.108 -0.346 -0.334 1.00 1.20 H new ATOM 154 N MET A 108 -9.923 -2.190 3.543 1.00 1.27 N ATOM 155 CA MET A 108 -10.047 -2.962 4.778 1.00 1.26 C ATOM 156 C MET A 108 -10.015 -4.464 4.490 1.00 1.17 C ATOM 157 O MET A 108 -9.451 -5.239 5.263 1.00 1.13 O ATOM 158 CB MET A 108 -11.328 -2.572 5.540 1.00 1.64 C ATOM 159 CG MET A 108 -12.617 -3.143 4.983 1.00 1.96 C ATOM 160 SD MET A 108 -14.077 -2.547 5.857 1.00 2.39 S ATOM 161 CE MET A 108 -13.725 -3.085 7.530 1.00 2.67 C ATOM 0 H MET A 108 -10.739 -1.623 3.315 1.00 1.27 H new ATOM 0 HA MET A 108 -9.193 -2.726 5.412 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.226 -2.894 6.576 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.407 -1.485 5.551 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.699 -2.883 3.928 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.583 -4.231 5.041 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.645 -3.082 8.114 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.312 -4.093 7.509 1.00 2.67 H new ATOM 0 HE3 MET A 108 -13.004 -2.407 7.986 1.00 2.67 H new ATOM 171 N ALA A 109 -10.597 -4.869 3.363 1.00 1.27 N ATOM 172 CA ALA A 109 -10.620 -6.279 2.991 1.00 1.30 C ATOM 173 C ALA A 109 -9.228 -6.774 2.614 1.00 0.99 C ATOM 174 O ALA A 109 -8.791 -7.826 3.083 1.00 1.01 O ATOM 175 CB ALA A 109 -11.607 -6.521 1.857 1.00 1.60 C ATOM 0 H ALA A 109 -11.055 -4.246 2.698 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.951 -6.849 3.860 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.608 -7.579 1.595 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.607 -6.225 2.175 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.314 -5.933 0.988 1.00 1.60 H new ATOM 181 N GLU A 110 -8.531 -6.007 1.782 1.00 0.80 N ATOM 182 CA GLU A 110 -7.167 -6.363 1.396 1.00 0.62 C ATOM 183 C GLU A 110 -6.249 -6.267 2.614 1.00 0.45 C ATOM 184 O GLU A 110 -5.401 -7.116 2.839 1.00 0.55 O ATOM 185 CB GLU A 110 -6.654 -5.442 0.287 1.00 0.56 C ATOM 186 CG GLU A 110 -7.379 -5.605 -1.041 1.00 0.60 C ATOM 187 CD GLU A 110 -6.785 -4.742 -2.138 1.00 0.83 C ATOM 188 OE1 GLU A 110 -5.691 -4.183 -1.935 1.00 1.49 O ATOM 189 OE2 GLU A 110 -7.405 -4.619 -3.215 1.00 1.48 O ATOM 0 H GLU A 110 -8.881 -5.144 1.365 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.170 -7.385 1.018 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.749 -4.407 0.616 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.592 -5.632 0.134 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.341 -6.651 -1.346 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.430 -5.349 -0.911 1.00 0.60 H new ATOM 196 N LYS A 111 -6.476 -5.219 3.384 1.00 0.41 N ATOM 197 CA LYS A 111 -5.694 -5.001 4.603 1.00 0.46 C ATOM 198 C LYS A 111 -5.761 -6.213 5.534 1.00 0.47 C ATOM 199 O LYS A 111 -4.739 -6.742 5.957 1.00 0.52 O ATOM 200 CB LYS A 111 -6.196 -3.756 5.333 1.00 0.63 C ATOM 201 CG LYS A 111 -5.852 -3.721 6.809 1.00 0.79 C ATOM 202 CD LYS A 111 -6.513 -2.536 7.488 1.00 0.89 C ATOM 203 CE LYS A 111 -6.459 -2.648 9.001 1.00 1.15 C ATOM 204 NZ LYS A 111 -6.894 -3.989 9.475 1.00 1.89 N ATOM 0 H LYS A 111 -7.184 -4.509 3.197 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.654 -4.856 4.311 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.776 -2.872 4.852 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.279 -3.695 5.222 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -6.177 -4.646 7.285 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.771 -3.661 6.934 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -6.020 -1.616 7.174 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.552 -2.466 7.166 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -5.442 -2.455 9.343 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -7.096 -1.882 9.444 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -7.279 -3.909 10.438 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -7.628 -4.361 8.839 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -6.080 -4.636 9.481 1.00 1.89 H new ATOM 218 N ASP A 112 -6.962 -6.667 5.830 1.00 0.49 N ATOM 219 CA ASP A 112 -7.136 -7.745 6.798 1.00 0.58 C ATOM 220 C ASP A 112 -6.855 -9.117 6.184 1.00 0.53 C ATOM 221 O ASP A 112 -6.817 -10.123 6.893 1.00 0.63 O ATOM 222 CB ASP A 112 -8.533 -7.698 7.411 1.00 0.72 C ATOM 223 CG ASP A 112 -8.627 -6.699 8.550 1.00 2.65 C ATOM 224 OD1 ASP A 112 -8.499 -7.114 9.722 1.00 3.03 O ATOM 225 OD2 ASP A 112 -8.822 -5.493 8.283 1.00 3.08 O ATOM 0 H ASP A 112 -7.828 -6.314 5.422 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.404 -7.592 7.591 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.257 -7.436 6.640 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -8.801 -8.689 7.777 1.00 0.72 H new ATOM 230 N SER A 113 -6.660 -9.162 4.872 1.00 0.44 N ATOM 231 CA SER A 113 -6.355 -10.415 4.188 1.00 0.43 C ATOM 232 C SER A 113 -4.876 -10.500 3.808 1.00 0.35 C ATOM 233 O SER A 113 -4.339 -11.589 3.604 1.00 0.40 O ATOM 234 CB SER A 113 -7.224 -10.557 2.939 1.00 0.44 C ATOM 235 OG SER A 113 -8.603 -10.520 3.273 1.00 0.55 O ATOM 0 H SER A 113 -6.707 -8.347 4.260 1.00 0.44 H new ATOM 0 HA SER A 113 -6.573 -11.232 4.876 1.00 0.43 H new ATOM 0 HB2 SER A 113 -6.994 -9.754 2.238 1.00 0.44 H new ATOM 0 HB3 SER A 113 -6.993 -11.496 2.435 1.00 0.44 H new ATOM 0 HG SER A 113 -8.919 -9.593 3.254 1.00 0.55 H new ATOM 241 N LEU A 114 -4.231 -9.347 3.716 1.00 0.27 N ATOM 242 CA LEU A 114 -2.843 -9.262 3.287 1.00 0.23 C ATOM 243 C LEU A 114 -1.926 -9.841 4.356 1.00 0.27 C ATOM 244 O LEU A 114 -2.182 -9.699 5.555 1.00 0.31 O ATOM 245 CB LEU A 114 -2.486 -7.800 3.017 1.00 0.17 C ATOM 246 CG LEU A 114 -1.275 -7.563 2.108 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.645 -7.760 0.645 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.720 -6.170 2.319 1.00 0.16 C ATOM 0 H LEU A 114 -4.654 -8.445 3.936 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.711 -9.839 2.372 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.352 -7.311 2.571 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.300 -7.309 3.972 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.509 -8.293 2.371 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.768 -7.586 0.021 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -2.001 -8.779 0.494 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.431 -7.056 0.371 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.139 -6.018 1.666 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.488 -5.433 2.085 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.411 -6.055 3.358 1.00 0.16 H new ATOM 260 N ASP A 115 -0.867 -10.506 3.916 1.00 0.29 N ATOM 261 CA ASP A 115 0.072 -11.142 4.829 1.00 0.34 C ATOM 262 C ASP A 115 0.966 -10.098 5.497 1.00 0.33 C ATOM 263 O ASP A 115 1.515 -9.220 4.830 1.00 0.29 O ATOM 264 CB ASP A 115 0.926 -12.168 4.081 1.00 0.37 C ATOM 265 CG ASP A 115 1.773 -13.005 5.017 1.00 0.49 C ATOM 266 OD1 ASP A 115 1.297 -14.067 5.471 1.00 1.23 O ATOM 267 OD2 ASP A 115 2.920 -12.610 5.305 1.00 1.21 O ATOM 0 H ASP A 115 -0.636 -10.619 2.929 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.497 -11.655 5.604 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.277 -12.822 3.499 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.574 -11.651 3.373 1.00 0.37 H new ATOM 272 N PRO A 116 1.125 -10.195 6.830 1.00 0.41 N ATOM 273 CA PRO A 116 1.860 -9.206 7.636 1.00 0.46 C ATOM 274 C PRO A 116 3.344 -9.112 7.287 1.00 0.42 C ATOM 275 O PRO A 116 4.010 -8.149 7.667 1.00 0.47 O ATOM 276 CB PRO A 116 1.687 -9.711 9.072 1.00 0.55 C ATOM 277 CG PRO A 116 1.400 -11.162 8.926 1.00 0.55 C ATOM 278 CD PRO A 116 0.594 -11.284 7.667 1.00 0.50 C ATOM 0 HA PRO A 116 1.475 -8.201 7.463 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.587 -9.542 9.663 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.872 -9.194 9.579 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.322 -11.740 8.860 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.847 -11.541 9.785 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.727 -12.258 7.195 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.473 -11.164 7.857 1.00 0.50 H new ATOM 286 N SER A 117 3.866 -10.113 6.581 1.00 0.36 N ATOM 287 CA SER A 117 5.268 -10.106 6.187 1.00 0.37 C ATOM 288 C SER A 117 5.554 -8.927 5.262 1.00 0.38 C ATOM 289 O SER A 117 6.692 -8.469 5.157 1.00 0.56 O ATOM 290 CB SER A 117 5.648 -11.420 5.501 1.00 0.37 C ATOM 291 OG SER A 117 7.042 -11.483 5.237 1.00 1.30 O ATOM 0 H SER A 117 3.342 -10.932 6.273 1.00 0.36 H new ATOM 0 HA SER A 117 5.873 -10.002 7.088 1.00 0.37 H new ATOM 0 HB2 SER A 117 5.358 -12.259 6.133 1.00 0.37 H new ATOM 0 HB3 SER A 117 5.095 -11.518 4.567 1.00 0.37 H new ATOM 0 HG SER A 117 7.254 -12.334 4.800 1.00 1.30 H new ATOM 297 N PHE A 118 4.512 -8.432 4.603 1.00 0.28 N ATOM 298 CA PHE A 118 4.636 -7.249 3.770 1.00 0.32 C ATOM 299 C PHE A 118 4.313 -6.022 4.606 1.00 0.44 C ATOM 300 O PHE A 118 3.206 -5.487 4.549 1.00 0.94 O ATOM 301 CB PHE A 118 3.704 -7.325 2.564 1.00 0.27 C ATOM 302 CG PHE A 118 3.875 -8.562 1.734 1.00 0.23 C ATOM 303 CD1 PHE A 118 3.257 -9.744 2.099 1.00 1.22 C ATOM 304 CD2 PHE A 118 4.644 -8.540 0.582 1.00 1.21 C ATOM 305 CE1 PHE A 118 3.400 -10.881 1.336 1.00 1.21 C ATOM 306 CE2 PHE A 118 4.791 -9.673 -0.187 1.00 1.23 C ATOM 307 CZ PHE A 118 4.169 -10.848 0.188 1.00 0.28 C ATOM 0 H PHE A 118 3.575 -8.833 4.632 1.00 0.28 H new ATOM 0 HA PHE A 118 5.657 -7.185 3.395 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.672 -7.274 2.912 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.871 -6.452 1.934 1.00 0.27 H new ATOM 0 HD1 PHE A 118 2.654 -9.776 2.995 1.00 1.22 H new ATOM 0 HD2 PHE A 118 5.133 -7.625 0.284 1.00 1.21 H new ATOM 0 HE1 PHE A 118 2.912 -11.797 1.634 1.00 1.21 H new ATOM 0 HE2 PHE A 118 5.393 -9.643 -1.083 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.283 -11.738 -0.414 1.00 0.28 H new ATOM 317 N THR A 119 5.290 -5.583 5.378 1.00 0.39 N ATOM 318 CA THR A 119 5.090 -4.511 6.335 1.00 0.39 C ATOM 319 C THR A 119 4.664 -3.213 5.656 1.00 0.42 C ATOM 320 O THR A 119 3.726 -2.549 6.097 1.00 0.45 O ATOM 321 CB THR A 119 6.375 -4.265 7.143 1.00 0.44 C ATOM 322 OG1 THR A 119 6.669 -5.409 7.957 1.00 0.48 O ATOM 323 CG2 THR A 119 6.243 -3.018 8.006 1.00 0.45 C ATOM 0 H THR A 119 6.239 -5.957 5.360 1.00 0.39 H new ATOM 0 HA THR A 119 4.289 -4.825 7.004 1.00 0.39 H new ATOM 0 HB THR A 119 7.197 -4.107 6.445 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.490 -5.245 8.467 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.164 -2.865 8.568 1.00 0.45 H new ATOM 0 HG22 THR A 119 6.058 -2.153 7.369 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.411 -3.142 8.700 1.00 0.45 H new ATOM 331 N HIS A 120 5.349 -2.860 4.587 1.00 0.44 N ATOM 332 CA HIS A 120 5.111 -1.594 3.915 1.00 0.51 C ATOM 333 C HIS A 120 3.759 -1.612 3.212 1.00 0.47 C ATOM 334 O HIS A 120 2.996 -0.653 3.301 1.00 0.57 O ATOM 335 CB HIS A 120 6.240 -1.300 2.936 1.00 0.60 C ATOM 336 CG HIS A 120 7.594 -1.383 3.567 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.971 -0.644 4.670 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.639 -2.183 3.283 1.00 1.19 C ATOM 339 CE1 HIS A 120 9.190 -1.002 5.035 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.617 -1.934 4.213 1.00 1.47 N ATOM 0 H HIS A 120 6.078 -3.433 4.162 1.00 0.44 H new ATOM 0 HA HIS A 120 5.090 -0.796 4.657 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.188 -2.005 2.106 1.00 0.60 H new ATOM 0 HB3 HIS A 120 6.100 -0.304 2.517 1.00 0.60 H new ATOM 0 HD2 HIS A 120 8.697 -2.892 2.471 1.00 1.19 H new ATOM 0 HE1 HIS A 120 9.743 -0.596 5.869 1.00 1.40 H new ATOM 0 HE2 HIS A 120 10.525 -2.396 4.259 1.00 1.47 H new ATOM 349 N ALA A 121 3.470 -2.718 2.536 1.00 0.37 N ATOM 350 CA ALA A 121 2.178 -2.919 1.884 1.00 0.34 C ATOM 351 C ALA A 121 1.050 -2.835 2.896 1.00 0.38 C ATOM 352 O ALA A 121 0.001 -2.239 2.645 1.00 0.47 O ATOM 353 CB ALA A 121 2.156 -4.267 1.188 1.00 0.27 C ATOM 0 H ALA A 121 4.119 -3.497 2.424 1.00 0.37 H new ATOM 0 HA ALA A 121 2.035 -2.132 1.144 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.190 -4.411 0.704 1.00 0.27 H new ATOM 0 HB2 ALA A 121 2.946 -4.302 0.438 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.316 -5.058 1.921 1.00 0.27 H new ATOM 359 N MET A 122 1.298 -3.410 4.056 1.00 0.35 N ATOM 360 CA MET A 122 0.333 -3.420 5.140 1.00 0.34 C ATOM 361 C MET A 122 0.165 -2.025 5.734 1.00 0.39 C ATOM 362 O MET A 122 -0.947 -1.599 6.052 1.00 0.41 O ATOM 363 CB MET A 122 0.774 -4.416 6.214 1.00 0.37 C ATOM 364 CG MET A 122 0.431 -5.860 5.895 1.00 0.38 C ATOM 365 SD MET A 122 -1.211 -6.343 6.479 1.00 0.49 S ATOM 366 CE MET A 122 -2.257 -5.159 5.638 1.00 0.63 C ATOM 0 H MET A 122 2.174 -3.884 4.275 1.00 0.35 H new ATOM 0 HA MET A 122 -0.634 -3.730 4.745 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.852 -4.331 6.353 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.308 -4.143 7.161 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.486 -6.011 4.817 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.178 -6.513 6.347 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.290 -5.293 5.960 1.00 0.63 H new ATOM 0 HE2 MET A 122 -1.930 -4.148 5.880 1.00 0.63 H new ATOM 0 HE3 MET A 122 -2.190 -5.314 4.561 1.00 0.63 H new ATOM 376 N GLN A 123 1.272 -1.315 5.865 1.00 0.44 N ATOM 377 CA GLN A 123 1.238 0.034 6.410 1.00 0.53 C ATOM 378 C GLN A 123 0.539 1.003 5.457 1.00 0.54 C ATOM 379 O GLN A 123 -0.262 1.833 5.891 1.00 0.62 O ATOM 380 CB GLN A 123 2.650 0.514 6.766 1.00 0.65 C ATOM 381 CG GLN A 123 2.775 2.023 6.899 1.00 0.83 C ATOM 382 CD GLN A 123 4.148 2.464 7.372 1.00 1.12 C ATOM 383 OE1 GLN A 123 4.288 3.479 8.051 1.00 1.60 O ATOM 384 NE2 GLN A 123 5.173 1.706 7.013 1.00 1.76 N ATOM 0 H GLN A 123 2.201 -1.646 5.604 1.00 0.44 H new ATOM 0 HA GLN A 123 0.653 0.010 7.330 1.00 0.53 H new ATOM 0 HB2 GLN A 123 2.954 0.050 7.704 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.344 0.168 6.000 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.562 2.486 5.935 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.022 2.384 7.599 1.00 0.83 H new ATOM 0 HE21 GLN A 123 5.017 0.871 6.449 1.00 1.76 H new ATOM 0 HE22 GLN A 123 6.119 1.957 7.301 1.00 1.76 H new ATOM 393 N LEU A 124 0.820 0.892 4.170 1.00 0.49 N ATOM 394 CA LEU A 124 0.215 1.787 3.192 1.00 0.50 C ATOM 395 C LEU A 124 -1.295 1.566 3.116 1.00 0.45 C ATOM 396 O LEU A 124 -2.061 2.513 2.932 1.00 0.52 O ATOM 397 CB LEU A 124 0.890 1.637 1.832 1.00 0.50 C ATOM 398 CG LEU A 124 2.369 2.024 1.816 1.00 0.56 C ATOM 399 CD1 LEU A 124 3.056 1.471 0.576 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.520 3.535 1.878 1.00 0.83 C ATOM 0 H LEU A 124 1.457 0.198 3.778 1.00 0.49 H new ATOM 0 HA LEU A 124 0.372 2.816 3.516 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.794 0.602 1.504 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.358 2.252 1.106 1.00 0.50 H new ATOM 0 HG LEU A 124 2.848 1.590 2.694 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.108 1.758 0.584 1.00 0.49 H new ATOM 0 HD12 LEU A 124 2.976 0.384 0.570 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.577 1.875 -0.316 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.578 3.796 1.866 1.00 0.83 H new ATOM 0 HD22 LEU A 124 2.025 3.986 1.018 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.065 3.909 2.795 1.00 0.83 H new ATOM 412 N LEU A 125 -1.715 0.312 3.279 1.00 0.37 N ATOM 413 CA LEU A 125 -3.139 -0.015 3.329 1.00 0.35 C ATOM 414 C LEU A 125 -3.764 0.615 4.560 1.00 0.46 C ATOM 415 O LEU A 125 -4.881 1.124 4.513 1.00 0.52 O ATOM 416 CB LEU A 125 -3.350 -1.529 3.379 1.00 0.28 C ATOM 417 CG LEU A 125 -3.317 -2.251 2.038 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.270 -3.749 2.265 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.537 -1.885 1.205 1.00 0.33 C ATOM 0 H LEU A 125 -1.093 -0.490 3.378 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.611 0.376 2.428 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.583 -1.962 4.022 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.312 -1.727 3.852 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.424 -1.942 1.494 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.247 -4.262 1.304 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.376 -4.003 2.834 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.154 -4.061 2.821 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.497 -2.410 0.251 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.442 -2.173 1.740 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.547 -0.810 1.027 1.00 0.33 H new ATOM 431 N THR A 126 -3.018 0.594 5.653 1.00 0.55 N ATOM 432 CA THR A 126 -3.502 1.149 6.904 1.00 0.74 C ATOM 433 C THR A 126 -3.739 2.650 6.761 1.00 0.92 C ATOM 434 O THR A 126 -4.793 3.172 7.136 1.00 1.07 O ATOM 435 CB THR A 126 -2.486 0.906 8.040 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.288 -0.503 8.236 1.00 0.86 O ATOM 437 CG2 THR A 126 -2.959 1.541 9.339 1.00 0.91 C ATOM 0 H THR A 126 -2.078 0.200 5.698 1.00 0.55 H new ATOM 0 HA THR A 126 -4.440 0.651 7.150 1.00 0.74 H new ATOM 0 HB THR A 126 -1.542 1.367 7.751 1.00 0.81 H new ATOM 0 HG1 THR A 126 -1.818 -0.878 7.462 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.225 1.355 10.123 1.00 0.91 H new ATOM 0 HG22 THR A 126 -3.075 2.616 9.198 1.00 0.91 H new ATOM 0 HG23 THR A 126 -3.917 1.108 9.628 1.00 0.91 H new ATOM 445 N ALA A 127 -2.748 3.326 6.189 1.00 0.96 N ATOM 446 CA ALA A 127 -2.781 4.773 6.052 1.00 1.09 C ATOM 447 C ALA A 127 -3.899 5.238 5.128 1.00 1.18 C ATOM 448 O ALA A 127 -4.633 6.162 5.462 1.00 1.38 O ATOM 449 CB ALA A 127 -1.436 5.264 5.536 1.00 1.18 C ATOM 0 H ALA A 127 -1.908 2.889 5.811 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.980 5.198 7.036 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.460 6.349 5.433 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.652 4.983 6.239 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -1.232 4.812 4.566 1.00 1.18 H new ATOM 455 N GLU A 128 -4.037 4.594 3.966 1.00 1.13 N ATOM 456 CA GLU A 128 -5.026 5.019 2.973 1.00 1.31 C ATOM 457 C GLU A 128 -6.434 4.945 3.541 1.00 1.38 C ATOM 458 O GLU A 128 -7.277 5.803 3.268 1.00 1.61 O ATOM 459 CB GLU A 128 -4.945 4.172 1.708 1.00 1.35 C ATOM 460 CG GLU A 128 -5.740 4.761 0.552 1.00 1.47 C ATOM 461 CD GLU A 128 -5.084 5.989 -0.047 1.00 1.46 C ATOM 462 OE1 GLU A 128 -5.098 6.121 -1.285 1.00 2.02 O ATOM 463 OE2 GLU A 128 -4.535 6.820 0.711 1.00 1.95 O ATOM 0 H GLU A 128 -3.482 3.784 3.692 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.797 6.053 2.716 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -3.901 4.070 1.411 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.314 3.169 1.923 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.860 4.004 -0.223 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.739 5.022 0.900 1.00 1.47 H new ATOM 470 N ILE A 129 -6.673 3.919 4.342 1.00 1.24 N ATOM 471 CA ILE A 129 -7.951 3.775 5.011 1.00 1.42 C ATOM 472 C ILE A 129 -8.209 4.981 5.896 1.00 1.64 C ATOM 473 O ILE A 129 -9.315 5.519 5.921 1.00 1.92 O ATOM 474 CB ILE A 129 -8.011 2.477 5.842 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.932 1.285 4.899 1.00 1.14 C ATOM 476 CG2 ILE A 129 -9.281 2.419 6.684 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.828 -0.049 5.591 1.00 1.01 C ATOM 0 H ILE A 129 -6.001 3.178 4.543 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.728 3.715 4.249 1.00 1.42 H new ATOM 0 HB ILE A 129 -7.167 2.454 6.531 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.816 1.282 4.261 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -7.068 1.410 4.246 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -9.295 1.493 7.258 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -9.305 3.269 7.366 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -10.153 2.454 6.031 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.776 -0.843 4.846 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.929 -0.070 6.207 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.704 -0.201 6.222 1.00 1.01 H new ATOM 489 N GLU A 130 -7.167 5.421 6.586 1.00 1.56 N ATOM 490 CA GLU A 130 -7.248 6.582 7.446 1.00 1.76 C ATOM 491 C GLU A 130 -7.711 7.810 6.662 1.00 1.94 C ATOM 492 O GLU A 130 -8.567 8.546 7.132 1.00 2.19 O ATOM 493 CB GLU A 130 -5.893 6.861 8.092 1.00 1.67 C ATOM 494 CG GLU A 130 -5.478 5.842 9.140 1.00 1.60 C ATOM 495 CD GLU A 130 -4.275 6.312 9.928 1.00 1.81 C ATOM 496 OE1 GLU A 130 -3.173 5.758 9.738 1.00 2.25 O ATOM 497 OE2 GLU A 130 -4.424 7.268 10.725 1.00 2.15 O ATOM 0 H GLU A 130 -6.247 4.982 6.563 1.00 1.56 H new ATOM 0 HA GLU A 130 -7.979 6.372 8.227 1.00 1.76 H new ATOM 0 HB2 GLU A 130 -5.132 6.894 7.312 1.00 1.67 H new ATOM 0 HB3 GLU A 130 -5.920 7.848 8.553 1.00 1.67 H new ATOM 0 HG2 GLU A 130 -6.310 5.659 9.820 1.00 1.60 H new ATOM 0 HG3 GLU A 130 -5.248 4.893 8.655 1.00 1.60 H new ATOM 504 N LYS A 131 -7.176 8.008 5.454 1.00 1.85 N ATOM 505 CA LYS A 131 -7.540 9.173 4.634 1.00 2.07 C ATOM 506 C LYS A 131 -9.047 9.224 4.415 1.00 2.28 C ATOM 507 O LYS A 131 -9.684 10.260 4.623 1.00 2.54 O ATOM 508 CB LYS A 131 -6.858 9.143 3.258 1.00 2.03 C ATOM 509 CG LYS A 131 -5.407 9.604 3.234 1.00 2.33 C ATOM 510 CD LYS A 131 -4.482 8.589 3.867 1.00 2.59 C ATOM 511 CE LYS A 131 -3.048 8.760 3.394 1.00 3.17 C ATOM 512 NZ LYS A 131 -2.921 8.556 1.925 1.00 3.73 N ATOM 0 H LYS A 131 -6.494 7.384 5.022 1.00 1.85 H new ATOM 0 HA LYS A 131 -7.203 10.054 5.180 1.00 2.07 H new ATOM 0 HB2 LYS A 131 -6.904 8.125 2.872 1.00 2.03 H new ATOM 0 HB3 LYS A 131 -7.431 9.769 2.574 1.00 2.03 H new ATOM 0 HG2 LYS A 131 -5.100 9.782 2.203 1.00 2.33 H new ATOM 0 HG3 LYS A 131 -5.319 10.554 3.761 1.00 2.33 H new ATOM 0 HD2 LYS A 131 -4.521 8.688 4.952 1.00 2.59 H new ATOM 0 HD3 LYS A 131 -4.827 7.583 3.626 1.00 2.59 H new ATOM 0 HE2 LYS A 131 -2.696 9.759 3.654 1.00 3.17 H new ATOM 0 HE3 LYS A 131 -2.406 8.050 3.916 1.00 3.17 H new ATOM 0 HZ1 LYS A 131 -2.126 7.914 1.731 1.00 3.73 H new ATOM 0 HZ2 LYS A 131 -3.800 8.141 1.555 1.00 3.73 H new ATOM 0 HZ3 LYS A 131 -2.748 9.471 1.461 1.00 3.73 H new ATOM 526 N ILE A 132 -9.606 8.099 3.997 1.00 2.21 N ATOM 527 CA ILE A 132 -11.031 8.009 3.716 1.00 2.47 C ATOM 528 C ILE A 132 -11.849 8.154 4.998 1.00 2.68 C ATOM 529 O ILE A 132 -12.945 8.710 4.989 1.00 2.98 O ATOM 530 CB ILE A 132 -11.378 6.665 3.048 1.00 2.40 C ATOM 531 CG1 ILE A 132 -10.298 6.287 2.029 1.00 2.18 C ATOM 532 CG2 ILE A 132 -12.742 6.746 2.372 1.00 2.72 C ATOM 533 CD1 ILE A 132 -10.579 5.000 1.294 1.00 2.19 C ATOM 0 H ILE A 132 -9.092 7.231 3.844 1.00 2.21 H new ATOM 0 HA ILE A 132 -11.280 8.823 3.035 1.00 2.47 H new ATOM 0 HB ILE A 132 -11.418 5.892 3.816 1.00 2.40 H new ATOM 0 HG12 ILE A 132 -10.197 7.094 1.304 1.00 2.18 H new ATOM 0 HG13 ILE A 132 -9.341 6.199 2.543 1.00 2.18 H new ATOM 0 HG21 ILE A 132 -12.974 5.789 1.904 1.00 2.72 H new ATOM 0 HG22 ILE A 132 -13.503 6.980 3.116 1.00 2.72 H new ATOM 0 HG23 ILE A 132 -12.725 7.527 1.612 1.00 2.72 H new ATOM 0 HD11 ILE A 132 -9.771 4.799 0.591 1.00 2.19 H new ATOM 0 HD12 ILE A 132 -10.650 4.181 2.009 1.00 2.19 H new ATOM 0 HD13 ILE A 132 -11.520 5.089 0.750 1.00 2.19 H new ATOM 545 N GLN A 133 -11.304 7.652 6.099 1.00 2.56 N ATOM 546 CA GLN A 133 -11.979 7.714 7.395 1.00 2.81 C ATOM 547 C GLN A 133 -11.951 9.127 7.980 1.00 2.98 C ATOM 548 O GLN A 133 -12.912 9.562 8.615 1.00 3.27 O ATOM 549 CB GLN A 133 -11.338 6.734 8.380 1.00 2.72 C ATOM 550 CG GLN A 133 -11.508 5.271 7.994 1.00 2.73 C ATOM 551 CD GLN A 133 -12.946 4.787 8.089 1.00 2.94 C ATOM 552 OE1 GLN A 133 -13.893 5.551 7.910 1.00 3.49 O ATOM 553 NE2 GLN A 133 -13.115 3.506 8.375 1.00 2.90 N ATOM 0 H GLN A 133 -10.392 7.195 6.123 1.00 2.56 H new ATOM 0 HA GLN A 133 -13.020 7.435 7.233 1.00 2.81 H new ATOM 0 HB2 GLN A 133 -10.274 6.957 8.459 1.00 2.72 H new ATOM 0 HB3 GLN A 133 -11.771 6.892 9.368 1.00 2.72 H new ATOM 0 HG2 GLN A 133 -11.150 5.128 6.974 1.00 2.73 H new ATOM 0 HG3 GLN A 133 -10.882 4.657 8.641 1.00 2.73 H new ATOM 0 HE21 GLN A 133 -12.304 2.904 8.517 1.00 2.90 H new ATOM 0 HE22 GLN A 133 -14.056 3.121 8.454 1.00 2.90 H new ATOM 562 N LYS A 134 -10.848 9.834 7.778 1.00 2.82 N ATOM 563 CA LYS A 134 -10.700 11.192 8.313 1.00 3.02 C ATOM 564 C LYS A 134 -11.530 12.179 7.513 1.00 3.29 C ATOM 565 O LYS A 134 -12.059 13.151 8.055 1.00 3.54 O ATOM 566 CB LYS A 134 -9.241 11.656 8.274 1.00 2.88 C ATOM 567 CG LYS A 134 -8.261 10.720 8.947 1.00 2.85 C ATOM 568 CD LYS A 134 -6.840 11.249 8.841 1.00 2.90 C ATOM 569 CE LYS A 134 -5.800 10.162 9.092 1.00 3.30 C ATOM 570 NZ LYS A 134 -5.928 9.538 10.437 1.00 3.82 N ATOM 0 H LYS A 134 -10.042 9.497 7.251 1.00 2.82 H new ATOM 0 HA LYS A 134 -11.044 11.161 9.347 1.00 3.02 H new ATOM 0 HB2 LYS A 134 -8.943 11.785 7.234 1.00 2.88 H new ATOM 0 HB3 LYS A 134 -9.172 12.635 8.749 1.00 2.88 H new ATOM 0 HG2 LYS A 134 -8.530 10.599 9.996 1.00 2.85 H new ATOM 0 HG3 LYS A 134 -8.321 9.734 8.487 1.00 2.85 H new ATOM 0 HD2 LYS A 134 -6.686 11.675 7.850 1.00 2.90 H new ATOM 0 HD3 LYS A 134 -6.700 12.056 9.560 1.00 2.90 H new ATOM 0 HE2 LYS A 134 -5.897 9.390 8.328 1.00 3.30 H new ATOM 0 HE3 LYS A 134 -4.803 10.590 8.989 1.00 3.30 H new ATOM 0 HZ1 LYS A 134 -5.119 8.907 10.605 1.00 3.82 H new ATOM 0 HZ2 LYS A 134 -5.944 10.281 11.164 1.00 3.82 H new ATOM 0 HZ3 LYS A 134 -6.810 8.989 10.483 1.00 3.82 H new ATOM 584 N GLY A 135 -11.628 11.927 6.219 1.00 3.29 N ATOM 585 CA GLY A 135 -12.257 12.871 5.331 1.00 3.59 C ATOM 586 C GLY A 135 -13.767 12.809 5.384 1.00 4.02 C ATOM 587 O GLY A 135 -14.310 11.724 5.650 1.00 4.46 O ATOM 588 OXT GLY A 135 -14.419 13.852 5.166 1.00 4.40 O ATOM 0 H GLY A 135 -11.281 11.080 5.768 1.00 3.29 H new ATOM 0 HA2 GLY A 135 -11.930 13.878 5.588 1.00 3.59 H new ATOM 0 HA3 GLY A 135 -11.926 12.679 4.310 1.00 3.59 H new TER 592 GLY A 135 ATOM 593 N PRO B 99 14.958 1.916 7.687 1.00 4.97 N ATOM 594 CA PRO B 99 15.887 2.774 6.947 1.00 4.83 C ATOM 595 C PRO B 99 15.170 3.659 5.941 1.00 4.33 C ATOM 596 O PRO B 99 14.127 3.293 5.396 1.00 4.07 O ATOM 597 CB PRO B 99 16.783 1.770 6.231 1.00 5.14 C ATOM 598 CG PRO B 99 15.900 0.601 6.006 1.00 5.27 C ATOM 599 CD PRO B 99 15.022 0.521 7.225 1.00 5.29 C ATOM 0 HA PRO B 99 16.426 3.462 7.599 1.00 4.83 H new ATOM 0 HB2 PRO B 99 17.161 2.172 5.291 1.00 5.14 H new ATOM 0 HB3 PRO B 99 17.650 1.505 6.836 1.00 5.14 H new ATOM 0 HG2 PRO B 99 15.305 0.727 5.101 1.00 5.27 H new ATOM 0 HG3 PRO B 99 16.482 -0.312 5.881 1.00 5.27 H new ATOM 0 HD2 PRO B 99 14.033 0.131 6.984 1.00 5.29 H new ATOM 0 HD3 PRO B 99 15.447 -0.135 7.985 1.00 5.29 H new ATOM 607 N GLU B 100 15.750 4.820 5.699 1.00 4.31 N ATOM 608 CA GLU B 100 15.106 5.842 4.893 1.00 4.02 C ATOM 609 C GLU B 100 15.233 5.567 3.398 1.00 3.83 C ATOM 610 O GLU B 100 14.280 5.774 2.651 1.00 3.64 O ATOM 611 CB GLU B 100 15.668 7.224 5.234 1.00 4.28 C ATOM 612 CG GLU B 100 14.932 8.364 4.550 1.00 4.51 C ATOM 613 CD GLU B 100 15.343 9.723 5.072 1.00 4.77 C ATOM 614 OE1 GLU B 100 16.264 10.336 4.494 1.00 4.99 O ATOM 615 OE2 GLU B 100 14.738 10.189 6.060 1.00 5.14 O ATOM 0 H GLU B 100 16.671 5.080 6.051 1.00 4.31 H new ATOM 0 HA GLU B 100 14.043 5.819 5.133 1.00 4.02 H new ATOM 0 HB2 GLU B 100 15.623 7.369 6.313 1.00 4.28 H new ATOM 0 HB3 GLU B 100 16.720 7.260 4.951 1.00 4.28 H new ATOM 0 HG2 GLU B 100 15.120 8.320 3.477 1.00 4.51 H new ATOM 0 HG3 GLU B 100 13.859 8.235 4.692 1.00 4.51 H new ATOM 622 N ASN B 101 16.391 5.105 2.946 1.00 4.05 N ATOM 623 CA ASN B 101 16.616 4.836 1.529 1.00 4.09 C ATOM 624 C ASN B 101 16.226 3.408 1.184 1.00 3.98 C ATOM 625 O ASN B 101 15.494 3.162 0.227 1.00 4.07 O ATOM 626 CB ASN B 101 18.085 5.081 1.172 1.00 4.55 C ATOM 627 CG ASN B 101 18.384 4.824 -0.293 1.00 4.75 C ATOM 628 OD1 ASN B 101 18.706 3.705 -0.685 1.00 5.19 O ATOM 629 ND2 ASN B 101 18.288 5.860 -1.109 1.00 4.68 N ATOM 0 H ASN B 101 17.194 4.907 3.543 1.00 4.05 H new ATOM 0 HA ASN B 101 15.991 5.514 0.947 1.00 4.09 H new ATOM 0 HB2 ASN B 101 18.347 6.110 1.417 1.00 4.55 H new ATOM 0 HB3 ASN B 101 18.716 4.437 1.785 1.00 4.55 H new ATOM 0 HD21 ASN B 101 18.484 5.746 -2.103 1.00 4.68 H new ATOM 0 HD22 ASN B 101 18.017 6.773 -0.744 1.00 4.68 H new ATOM 636 N LYS B 102 16.746 2.468 1.977 1.00 3.93 N ATOM 637 CA LYS B 102 16.455 1.046 1.804 1.00 3.87 C ATOM 638 C LYS B 102 14.953 0.760 1.887 1.00 3.43 C ATOM 639 O LYS B 102 14.517 -0.356 1.629 1.00 3.32 O ATOM 640 CB LYS B 102 17.192 0.210 2.847 1.00 4.20 C ATOM 641 CG LYS B 102 17.485 -1.213 2.391 1.00 4.62 C ATOM 642 CD LYS B 102 17.814 -2.123 3.563 1.00 5.18 C ATOM 643 CE LYS B 102 16.572 -2.844 4.077 1.00 5.68 C ATOM 644 NZ LYS B 102 16.114 -3.905 3.137 1.00 6.27 N ATOM 0 H LYS B 102 17.377 2.671 2.752 1.00 3.93 H new ATOM 0 HA LYS B 102 16.803 0.769 0.809 1.00 3.87 H new ATOM 0 HB2 LYS B 102 18.131 0.703 3.098 1.00 4.20 H new ATOM 0 HB3 LYS B 102 16.597 0.175 3.759 1.00 4.20 H new ATOM 0 HG2 LYS B 102 16.622 -1.608 1.855 1.00 4.62 H new ATOM 0 HG3 LYS B 102 18.320 -1.206 1.690 1.00 4.62 H new ATOM 0 HD2 LYS B 102 18.561 -2.856 3.258 1.00 5.18 H new ATOM 0 HD3 LYS B 102 18.254 -1.536 4.369 1.00 5.18 H new ATOM 0 HE2 LYS B 102 16.787 -3.289 5.049 1.00 5.68 H new ATOM 0 HE3 LYS B 102 15.770 -2.122 4.227 1.00 5.68 H new ATOM 0 HZ1 LYS B 102 15.076 -3.888 3.074 1.00 6.27 H new ATOM 0 HZ2 LYS B 102 16.521 -3.734 2.195 1.00 6.27 H new ATOM 0 HZ3 LYS B 102 16.425 -4.835 3.485 1.00 6.27 H new ATOM 658 N TYR B 103 14.168 1.769 2.241 1.00 3.24 N ATOM 659 CA TYR B 103 12.717 1.696 2.222 1.00 2.85 C ATOM 660 C TYR B 103 12.217 1.454 0.795 1.00 2.56 C ATOM 661 O TYR B 103 11.190 0.811 0.588 1.00 2.28 O ATOM 662 CB TYR B 103 12.161 3.010 2.791 1.00 2.82 C ATOM 663 CG TYR B 103 10.652 3.138 2.799 1.00 2.56 C ATOM 664 CD1 TYR B 103 9.857 2.295 3.564 1.00 2.69 C ATOM 665 CD2 TYR B 103 10.030 4.137 2.066 1.00 2.76 C ATOM 666 CE1 TYR B 103 8.483 2.443 3.593 1.00 2.58 C ATOM 667 CE2 TYR B 103 8.658 4.291 2.081 1.00 2.65 C ATOM 668 CZ TYR B 103 7.887 3.441 2.849 1.00 2.31 C ATOM 669 OH TYR B 103 6.518 3.598 2.888 1.00 2.31 O ATOM 0 H TYR B 103 14.528 2.671 2.553 1.00 3.24 H new ATOM 0 HA TYR B 103 12.371 0.862 2.833 1.00 2.85 H new ATOM 0 HB2 TYR B 103 12.522 3.123 3.813 1.00 2.82 H new ATOM 0 HB3 TYR B 103 12.574 3.837 2.214 1.00 2.82 H new ATOM 0 HD1 TYR B 103 10.320 1.511 4.146 1.00 2.69 H new ATOM 0 HD2 TYR B 103 10.631 4.809 1.471 1.00 2.76 H new ATOM 0 HE1 TYR B 103 7.879 1.781 4.195 1.00 2.58 H new ATOM 0 HE2 TYR B 103 8.191 5.070 1.497 1.00 2.65 H new ATOM 0 HH TYR B 103 6.274 4.451 2.471 1.00 2.31 H new ATOM 679 N LEU B 104 12.969 1.954 -0.185 1.00 2.70 N ATOM 680 CA LEU B 104 12.624 1.821 -1.596 1.00 2.55 C ATOM 681 C LEU B 104 12.701 0.356 -2.063 1.00 2.53 C ATOM 682 O LEU B 104 11.709 -0.179 -2.563 1.00 2.25 O ATOM 683 CB LEU B 104 13.542 2.727 -2.431 1.00 2.85 C ATOM 684 CG LEU B 104 13.363 2.654 -3.945 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.946 3.032 -4.338 1.00 2.46 C ATOM 686 CD2 LEU B 104 14.373 3.563 -4.626 1.00 3.18 C ATOM 0 H LEU B 104 13.837 2.464 -0.020 1.00 2.70 H new ATOM 0 HA LEU B 104 11.591 2.138 -1.737 1.00 2.55 H new ATOM 0 HB2 LEU B 104 13.384 3.759 -2.116 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.577 2.477 -2.196 1.00 2.85 H new ATOM 0 HG LEU B 104 13.537 1.629 -4.272 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.841 2.973 -5.421 1.00 2.46 H new ATOM 0 HD12 LEU B 104 11.242 2.345 -3.867 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.736 4.049 -4.008 1.00 2.46 H new ATOM 0 HD21 LEU B 104 14.242 3.508 -5.707 1.00 3.18 H new ATOM 0 HD22 LEU B 104 14.220 4.590 -4.294 1.00 3.18 H new ATOM 0 HD23 LEU B 104 15.382 3.244 -4.366 1.00 3.18 H new ATOM 698 N PRO B 105 13.864 -0.325 -1.917 1.00 2.88 N ATOM 699 CA PRO B 105 13.995 -1.742 -2.283 1.00 2.95 C ATOM 700 C PRO B 105 13.059 -2.626 -1.465 1.00 2.65 C ATOM 701 O PRO B 105 12.648 -3.696 -1.909 1.00 2.62 O ATOM 702 CB PRO B 105 15.461 -2.069 -1.989 1.00 3.43 C ATOM 703 CG PRO B 105 15.872 -1.037 -1.007 1.00 3.51 C ATOM 704 CD PRO B 105 15.143 0.206 -1.417 1.00 3.28 C ATOM 0 HA PRO B 105 13.724 -1.924 -3.323 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.571 -3.074 -1.581 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.069 -2.024 -2.893 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.608 -1.332 0.008 1.00 3.51 H new ATOM 0 HG3 PRO B 105 16.951 -0.885 -1.024 1.00 3.51 H new ATOM 0 HD2 PRO B 105 14.999 0.887 -0.579 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.682 0.757 -2.187 1.00 3.28 H new ATOM 712 N GLU B 106 12.725 -2.172 -0.264 1.00 2.53 N ATOM 713 CA GLU B 106 11.739 -2.847 0.560 1.00 2.35 C ATOM 714 C GLU B 106 10.389 -2.867 -0.148 1.00 1.89 C ATOM 715 O GLU B 106 9.717 -3.895 -0.221 1.00 1.84 O ATOM 716 CB GLU B 106 11.584 -2.098 1.879 1.00 2.43 C ATOM 717 CG GLU B 106 12.724 -2.295 2.857 1.00 2.88 C ATOM 718 CD GLU B 106 12.631 -3.609 3.588 1.00 3.33 C ATOM 719 OE1 GLU B 106 11.707 -3.759 4.419 1.00 3.62 O ATOM 720 OE2 GLU B 106 13.488 -4.484 3.356 1.00 3.71 O ATOM 0 H GLU B 106 13.126 -1.335 0.160 1.00 2.53 H new ATOM 0 HA GLU B 106 12.073 -3.869 0.741 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.485 -1.033 1.667 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.656 -2.416 2.355 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.672 -2.247 2.321 1.00 2.88 H new ATOM 0 HG3 GLU B 106 12.725 -1.479 3.580 1.00 2.88 H new ATOM 727 N LEU B 107 10.014 -1.711 -0.675 1.00 1.63 N ATOM 728 CA LEU B 107 8.760 -1.555 -1.391 1.00 1.23 C ATOM 729 C LEU B 107 8.752 -2.397 -2.655 1.00 1.08 C ATOM 730 O LEU B 107 7.784 -3.087 -2.935 1.00 0.96 O ATOM 731 CB LEU B 107 8.548 -0.093 -1.757 1.00 1.21 C ATOM 732 CG LEU B 107 8.345 0.852 -0.579 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.345 2.291 -1.053 1.00 1.42 C ATOM 734 CD2 LEU B 107 7.046 0.534 0.132 1.00 1.19 C ATOM 0 H LEU B 107 10.570 -0.858 -0.618 1.00 1.63 H new ATOM 0 HA LEU B 107 7.953 -1.891 -0.740 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.409 0.249 -2.331 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.680 -0.022 -2.412 1.00 1.21 H new ATOM 0 HG LEU B 107 9.169 0.716 0.122 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.199 2.955 -0.201 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.299 2.517 -1.530 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.537 2.438 -1.770 1.00 1.42 H new ATOM 0 HD21 LEU B 107 6.914 1.217 0.971 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.214 0.648 -0.563 1.00 1.19 H new ATOM 0 HD23 LEU B 107 7.074 -0.492 0.500 1.00 1.19 H new ATOM 746 N MET B 108 9.852 -2.352 -3.397 1.00 1.26 N ATOM 747 CA MET B 108 9.962 -3.113 -4.640 1.00 1.26 C ATOM 748 C MET B 108 9.904 -4.616 -4.364 1.00 1.17 C ATOM 749 O MET B 108 9.337 -5.376 -5.147 1.00 1.13 O ATOM 750 CB MET B 108 11.248 -2.740 -5.401 1.00 1.64 C ATOM 751 CG MET B 108 12.528 -3.338 -4.848 1.00 1.96 C ATOM 752 SD MET B 108 13.999 -2.758 -5.717 1.00 2.39 S ATOM 753 CE MET B 108 13.628 -3.268 -7.395 1.00 2.67 C ATOM 0 H MET B 108 10.678 -1.800 -3.163 1.00 1.26 H new ATOM 0 HA MET B 108 9.112 -2.854 -5.272 1.00 1.26 H new ATOM 0 HB2 MET B 108 11.139 -3.054 -6.439 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.346 -1.654 -5.404 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.614 -3.088 -3.790 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.476 -4.425 -4.916 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.545 -3.277 -7.984 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.194 -4.268 -7.384 1.00 2.67 H new ATOM 0 HE3 MET B 108 12.918 -2.570 -7.839 1.00 2.67 H new ATOM 763 N ALA B 109 10.476 -5.041 -3.240 1.00 1.27 N ATOM 764 CA ALA B 109 10.476 -6.455 -2.881 1.00 1.30 C ATOM 765 C ALA B 109 9.073 -6.929 -2.507 1.00 0.99 C ATOM 766 O ALA B 109 8.615 -7.965 -2.987 1.00 1.01 O ATOM 767 CB ALA B 109 11.458 -6.724 -1.752 1.00 1.60 C ATOM 0 H ALA B 109 10.942 -4.431 -2.568 1.00 1.27 H new ATOM 0 HA ALA B 109 10.797 -7.023 -3.754 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.442 -7.784 -1.500 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.462 -6.442 -2.068 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.175 -6.139 -0.877 1.00 1.60 H new ATOM 773 N GLU B 110 8.392 -6.158 -1.670 1.00 0.80 N ATOM 774 CA GLU B 110 7.019 -6.492 -1.288 1.00 0.62 C ATOM 775 C GLU B 110 6.104 -6.368 -2.504 1.00 0.45 C ATOM 776 O GLU B 110 5.235 -7.195 -2.735 1.00 0.54 O ATOM 777 CB GLU B 110 6.525 -5.572 -0.170 1.00 0.56 C ATOM 778 CG GLU B 110 7.247 -5.765 1.154 1.00 0.60 C ATOM 779 CD GLU B 110 6.678 -4.897 2.260 1.00 0.83 C ATOM 780 OE1 GLU B 110 5.594 -4.316 2.069 1.00 1.49 O ATOM 781 OE2 GLU B 110 7.310 -4.794 3.333 1.00 1.48 O ATOM 0 H GLU B 110 8.759 -5.306 -1.245 1.00 0.80 H new ATOM 0 HA GLU B 110 7.001 -7.518 -0.920 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.641 -4.536 -0.488 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.459 -5.741 -0.019 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.183 -6.812 1.449 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.304 -5.535 1.024 1.00 0.60 H new ATOM 788 N LYS B 111 6.351 -5.320 -3.266 1.00 0.41 N ATOM 789 CA LYS B 111 5.572 -5.074 -4.479 1.00 0.46 C ATOM 790 C LYS B 111 5.608 -6.278 -5.424 1.00 0.47 C ATOM 791 O LYS B 111 4.571 -6.776 -5.859 1.00 0.52 O ATOM 792 CB LYS B 111 6.096 -3.830 -5.196 1.00 0.63 C ATOM 793 CG LYS B 111 5.751 -3.772 -6.670 1.00 0.79 C ATOM 794 CD LYS B 111 6.431 -2.596 -7.339 1.00 0.89 C ATOM 795 CE LYS B 111 6.374 -2.701 -8.853 1.00 1.15 C ATOM 796 NZ LYS B 111 6.785 -4.047 -9.335 1.00 1.89 N ATOM 0 H LYS B 111 7.076 -4.628 -3.076 1.00 0.41 H new ATOM 0 HA LYS B 111 4.536 -4.912 -4.183 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.693 -2.944 -4.705 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.180 -3.790 -5.086 1.00 0.63 H new ATOM 0 HG2 LYS B 111 6.057 -4.699 -7.156 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.671 -3.690 -6.792 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.953 -1.670 -7.020 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.471 -2.545 -7.017 1.00 0.89 H new ATOM 0 HE2 LYS B 111 5.361 -2.488 -9.193 1.00 1.15 H new ATOM 0 HE3 LYS B 111 7.023 -1.944 -9.293 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 7.307 -3.951 -10.229 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 7.396 -4.499 -8.625 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 5.940 -4.634 -9.489 1.00 1.89 H new ATOM 810 N ASP B 112 6.799 -6.757 -5.725 1.00 0.49 N ATOM 811 CA ASP B 112 6.950 -7.829 -6.703 1.00 0.58 C ATOM 812 C ASP B 112 6.648 -9.199 -6.102 1.00 0.53 C ATOM 813 O ASP B 112 6.590 -10.196 -6.818 1.00 0.63 O ATOM 814 CB ASP B 112 8.347 -7.802 -7.321 1.00 0.72 C ATOM 815 CG ASP B 112 8.460 -6.794 -8.449 1.00 2.65 C ATOM 816 OD1 ASP B 112 8.345 -7.191 -9.628 1.00 3.03 O ATOM 817 OD2 ASP B 112 8.655 -5.593 -8.166 1.00 3.08 O ATOM 0 H ASP B 112 7.672 -6.428 -5.313 1.00 0.49 H new ATOM 0 HA ASP B 112 6.217 -7.655 -7.491 1.00 0.58 H new ATOM 0 HB2 ASP B 112 9.078 -7.563 -6.549 1.00 0.72 H new ATOM 0 HB3 ASP B 112 8.594 -8.794 -7.698 1.00 0.72 H new ATOM 822 N SER B 113 6.459 -9.249 -4.790 1.00 0.44 N ATOM 823 CA SER B 113 6.127 -10.502 -4.119 1.00 0.43 C ATOM 824 C SER B 113 4.649 -10.562 -3.733 1.00 0.35 C ATOM 825 O SER B 113 4.095 -11.639 -3.526 1.00 0.40 O ATOM 826 CB SER B 113 6.998 -10.670 -2.877 1.00 0.44 C ATOM 827 OG SER B 113 8.373 -10.666 -3.223 1.00 0.55 O ATOM 0 H SER B 113 6.529 -8.442 -4.171 1.00 0.44 H new ATOM 0 HA SER B 113 6.321 -11.317 -4.816 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.793 -9.864 -2.172 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.747 -11.604 -2.375 1.00 0.44 H new ATOM 0 HG SER B 113 8.707 -9.745 -3.224 1.00 0.55 H new ATOM 833 N LEU B 114 4.025 -9.399 -3.636 1.00 0.27 N ATOM 834 CA LEU B 114 2.639 -9.294 -3.203 1.00 0.23 C ATOM 835 C LEU B 114 1.706 -9.842 -4.276 1.00 0.27 C ATOM 836 O LEU B 114 1.954 -9.683 -5.473 1.00 0.30 O ATOM 837 CB LEU B 114 2.309 -7.829 -2.918 1.00 0.17 C ATOM 838 CG LEU B 114 1.107 -7.576 -2.005 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.472 -7.795 -0.543 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.578 -6.172 -2.204 1.00 0.16 C ATOM 0 H LEU B 114 4.462 -8.504 -3.854 1.00 0.27 H new ATOM 0 HA LEU B 114 2.501 -9.881 -2.295 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.185 -7.361 -2.470 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.130 -7.326 -3.868 1.00 0.17 H new ATOM 0 HG LEU B 114 0.328 -8.290 -2.273 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.599 -7.608 0.082 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.806 -8.823 -0.401 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.273 -7.111 -0.262 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.277 -6.009 -1.547 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.361 -5.451 -1.967 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.268 -6.043 -3.241 1.00 0.16 H new ATOM 852 N ASP B 115 0.639 -10.496 -3.841 1.00 0.29 N ATOM 853 CA ASP B 115 -0.315 -11.108 -4.757 1.00 0.34 C ATOM 854 C ASP B 115 -1.188 -10.041 -5.417 1.00 0.33 C ATOM 855 O ASP B 115 -1.721 -9.157 -4.743 1.00 0.29 O ATOM 856 CB ASP B 115 -1.189 -12.119 -4.011 1.00 0.37 C ATOM 857 CG ASP B 115 -2.062 -12.935 -4.943 1.00 0.49 C ATOM 858 OD1 ASP B 115 -1.600 -13.993 -5.418 1.00 1.23 O ATOM 859 OD2 ASP B 115 -3.211 -12.528 -5.202 1.00 1.21 O ATOM 0 H ASP B 115 0.411 -10.617 -2.854 1.00 0.29 H new ATOM 0 HA ASP B 115 0.241 -11.629 -5.537 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.551 -12.790 -3.436 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.821 -11.590 -3.297 1.00 0.37 H new ATOM 864 N PRO B 116 -1.347 -10.122 -6.752 1.00 0.41 N ATOM 865 CA PRO B 116 -2.063 -9.112 -7.549 1.00 0.46 C ATOM 866 C PRO B 116 -3.544 -8.988 -7.197 1.00 0.42 C ATOM 867 O PRO B 116 -4.188 -8.005 -7.570 1.00 0.47 O ATOM 868 CB PRO B 116 -1.902 -9.606 -8.990 1.00 0.55 C ATOM 869 CG PRO B 116 -1.639 -11.064 -8.859 1.00 0.55 C ATOM 870 CD PRO B 116 -0.835 -11.212 -7.602 1.00 0.50 C ATOM 0 HA PRO B 116 -1.657 -8.117 -7.368 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.801 -9.416 -9.577 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -1.079 -9.098 -9.494 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.570 -11.627 -8.798 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -1.092 -11.444 -9.722 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -0.984 -12.188 -7.140 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.233 -11.108 -7.791 1.00 0.50 H new ATOM 878 N SER B 117 -4.085 -9.984 -6.498 1.00 0.36 N ATOM 879 CA SER B 117 -5.489 -9.959 -6.105 1.00 0.37 C ATOM 880 C SER B 117 -5.756 -8.785 -5.169 1.00 0.38 C ATOM 881 O SER B 117 -6.884 -8.302 -5.065 1.00 0.56 O ATOM 882 CB SER B 117 -5.886 -11.277 -5.435 1.00 0.37 C ATOM 883 OG SER B 117 -7.278 -11.330 -5.167 1.00 1.30 O ATOM 0 H SER B 117 -3.574 -10.813 -6.194 1.00 0.36 H new ATOM 0 HA SER B 117 -6.095 -9.835 -7.002 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.607 -12.111 -6.079 1.00 0.37 H new ATOM 0 HB3 SER B 117 -5.331 -11.394 -4.504 1.00 0.37 H new ATOM 0 HG SER B 117 -7.497 -12.185 -4.741 1.00 1.30 H new ATOM 889 N PHE B 118 -4.706 -8.319 -4.503 1.00 0.28 N ATOM 890 CA PHE B 118 -4.807 -7.142 -3.659 1.00 0.32 C ATOM 891 C PHE B 118 -4.457 -5.914 -4.484 1.00 0.44 C ATOM 892 O PHE B 118 -3.338 -5.407 -4.423 1.00 0.94 O ATOM 893 CB PHE B 118 -3.873 -7.243 -2.452 1.00 0.27 C ATOM 894 CG PHE B 118 -4.064 -8.484 -1.635 1.00 0.23 C ATOM 895 CD1 PHE B 118 -3.466 -9.674 -2.012 1.00 1.22 C ATOM 896 CD2 PHE B 118 -4.828 -8.458 -0.482 1.00 1.21 C ATOM 897 CE1 PHE B 118 -3.630 -10.815 -1.259 1.00 1.21 C ATOM 898 CE2 PHE B 118 -4.998 -9.596 0.277 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.397 -10.779 -0.111 1.00 0.28 C ATOM 0 H PHE B 118 -3.777 -8.740 -4.533 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.827 -7.065 -3.284 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.841 -7.205 -2.800 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -4.026 -6.373 -1.813 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -2.863 -9.708 -2.908 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -5.297 -7.535 -0.173 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -3.159 -11.737 -1.566 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -5.600 -9.564 1.173 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.527 -11.672 0.482 1.00 0.28 H new ATOM 909 N THR B 119 -5.424 -5.447 -5.250 1.00 0.39 N ATOM 910 CA THR B 119 -5.201 -4.368 -6.195 1.00 0.39 C ATOM 911 C THR B 119 -4.754 -3.083 -5.504 1.00 0.41 C ATOM 912 O THR B 119 -3.802 -2.432 -5.936 1.00 0.45 O ATOM 913 CB THR B 119 -6.477 -4.092 -7.007 1.00 0.44 C ATOM 914 OG1 THR B 119 -6.770 -5.220 -7.844 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.328 -2.837 -7.855 1.00 0.45 C ATOM 0 H THR B 119 -6.380 -5.801 -5.236 1.00 0.39 H new ATOM 0 HA THR B 119 -4.401 -4.690 -6.862 1.00 0.39 H new ATOM 0 HB THR B 119 -7.300 -3.932 -6.311 1.00 0.44 H new ATOM 0 HG1 THR B 119 -7.585 -5.042 -8.359 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.246 -2.667 -8.418 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.136 -1.981 -7.208 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.496 -2.962 -8.547 1.00 0.45 H new ATOM 923 N HIS B 120 -5.433 -2.727 -4.432 1.00 0.44 N ATOM 924 CA HIS B 120 -5.169 -1.469 -3.752 1.00 0.51 C ATOM 925 C HIS B 120 -3.818 -1.519 -3.048 1.00 0.47 C ATOM 926 O HIS B 120 -3.037 -0.573 -3.123 1.00 0.57 O ATOM 927 CB HIS B 120 -6.291 -1.164 -2.768 1.00 0.60 C ATOM 928 CG HIS B 120 -7.650 -1.217 -3.397 1.00 0.92 C ATOM 929 ND1 HIS B 120 -8.014 -0.464 -4.495 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.708 -2.005 -3.121 1.00 1.19 C ATOM 931 CE1 HIS B 120 -9.238 -0.799 -4.864 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.681 -1.734 -4.051 1.00 1.47 N ATOM 0 H HIS B 120 -6.172 -3.289 -4.011 1.00 0.44 H new ATOM 0 HA HIS B 120 -5.132 -0.666 -4.489 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.249 -1.877 -1.945 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -6.133 -0.174 -2.340 1.00 0.60 H new ATOM 0 HD2 HIS B 120 -8.778 -2.720 -2.315 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -9.784 -0.376 -5.694 1.00 1.40 H new ATOM 0 HE2 HIS B 120 -10.595 -2.183 -4.103 1.00 1.47 H new ATOM 941 N ALA B 121 -3.551 -2.637 -2.384 1.00 0.37 N ATOM 942 CA ALA B 121 -2.263 -2.870 -1.736 1.00 0.33 C ATOM 943 C ALA B 121 -1.133 -2.799 -2.748 1.00 0.38 C ATOM 944 O ALA B 121 -0.072 -2.229 -2.491 1.00 0.47 O ATOM 945 CB ALA B 121 -2.263 -4.224 -1.053 1.00 0.27 C ATOM 0 H ALA B 121 -4.215 -3.404 -2.279 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.107 -2.092 -0.989 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.299 -4.389 -0.573 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.052 -4.253 -0.302 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.438 -5.005 -1.793 1.00 0.27 H new ATOM 951 N MET B 122 -1.390 -3.359 -3.915 1.00 0.35 N ATOM 952 CA MET B 122 -0.425 -3.375 -4.998 1.00 0.34 C ATOM 953 C MET B 122 -0.232 -1.982 -5.580 1.00 0.38 C ATOM 954 O MET B 122 0.889 -1.574 -5.898 1.00 0.41 O ATOM 955 CB MET B 122 -0.886 -4.354 -6.081 1.00 0.37 C ATOM 956 CG MET B 122 -0.571 -5.808 -5.775 1.00 0.38 C ATOM 957 SD MET B 122 1.058 -6.317 -6.367 1.00 0.49 S ATOM 958 CE MET B 122 2.127 -5.159 -5.520 1.00 0.63 C ATOM 0 H MET B 122 -2.274 -3.816 -4.139 1.00 0.35 H new ATOM 0 HA MET B 122 0.537 -3.704 -4.605 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.962 -4.247 -6.218 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.416 -4.082 -7.026 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.626 -5.967 -4.698 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.332 -6.442 -6.230 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.164 -5.356 -5.791 1.00 0.63 H new ATOM 0 HE2 MET B 122 1.863 -4.142 -5.809 1.00 0.63 H new ATOM 0 HE3 MET B 122 2.006 -5.273 -4.443 1.00 0.63 H new ATOM 968 N GLN B 123 -1.327 -1.249 -5.700 1.00 0.44 N ATOM 969 CA GLN B 123 -1.271 0.104 -6.233 1.00 0.53 C ATOM 970 C GLN B 123 -0.552 1.047 -5.271 1.00 0.54 C ATOM 971 O GLN B 123 0.267 1.865 -5.697 1.00 0.62 O ATOM 972 CB GLN B 123 -2.674 0.617 -6.581 1.00 0.65 C ATOM 973 CG GLN B 123 -2.768 2.130 -6.698 1.00 0.83 C ATOM 974 CD GLN B 123 -4.129 2.607 -7.166 1.00 1.12 C ATOM 975 OE1 GLN B 123 -4.244 3.638 -7.827 1.00 1.60 O ATOM 976 NE2 GLN B 123 -5.169 1.863 -6.823 1.00 1.76 N ATOM 0 H GLN B 123 -2.261 -1.565 -5.437 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.692 0.077 -7.156 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -2.990 0.170 -7.524 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.374 0.278 -5.817 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.546 2.578 -5.729 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.007 2.483 -7.394 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -5.030 1.015 -6.274 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -6.109 2.138 -7.108 1.00 1.76 H new ATOM 985 N LEU B 124 -0.835 0.929 -3.983 1.00 0.49 N ATOM 986 CA LEU B 124 -0.213 1.806 -2.998 1.00 0.50 C ATOM 987 C LEU B 124 1.294 1.558 -2.927 1.00 0.45 C ATOM 988 O LEU B 124 2.076 2.492 -2.743 1.00 0.52 O ATOM 989 CB LEU B 124 -0.888 1.658 -1.637 1.00 0.50 C ATOM 990 CG LEU B 124 -2.358 2.073 -1.620 1.00 0.56 C ATOM 991 CD1 LEU B 124 -3.056 1.518 -0.387 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.483 3.589 -1.667 1.00 0.83 C ATOM 0 H LEU B 124 -1.484 0.243 -3.596 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.353 2.840 -3.313 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.811 0.619 -1.317 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.344 2.257 -0.907 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.843 1.659 -2.504 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.102 1.824 -0.392 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -2.996 0.430 -0.394 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.570 1.902 0.510 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.537 3.868 -1.654 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -1.982 4.022 -0.801 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -2.019 3.964 -2.579 1.00 0.83 H new ATOM 1004 N LEU B 125 1.692 0.298 -3.102 1.00 0.37 N ATOM 1005 CA LEU B 125 3.108 -0.053 -3.156 1.00 0.35 C ATOM 1006 C LEU B 125 3.744 0.577 -4.383 1.00 0.46 C ATOM 1007 O LEU B 125 4.869 1.068 -4.331 1.00 0.52 O ATOM 1008 CB LEU B 125 3.293 -1.571 -3.222 1.00 0.28 C ATOM 1009 CG LEU B 125 3.246 -2.304 -1.887 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.173 -3.798 -2.129 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.473 -1.968 -1.054 1.00 0.33 C ATOM 0 H LEU B 125 1.056 -0.492 -3.208 1.00 0.37 H new ATOM 0 HA LEU B 125 3.587 0.321 -2.251 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.520 -1.984 -3.869 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.252 -1.781 -3.697 1.00 0.28 H new ATOM 0 HG LEU B 125 2.359 -1.985 -1.339 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.140 -4.320 -1.173 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.275 -4.030 -2.701 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.052 -4.120 -2.687 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.424 -2.499 -0.104 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.372 -2.269 -1.592 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.504 -0.894 -0.868 1.00 0.33 H new ATOM 1023 N THR B 126 2.997 0.580 -5.475 1.00 0.55 N ATOM 1024 CA THR B 126 3.487 1.138 -6.721 1.00 0.74 C ATOM 1025 C THR B 126 3.753 2.631 -6.566 1.00 0.92 C ATOM 1026 O THR B 126 4.815 3.136 -6.939 1.00 1.07 O ATOM 1027 CB THR B 126 2.467 0.920 -7.857 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.244 -0.484 -8.051 1.00 0.86 O ATOM 1029 CG2 THR B 126 2.948 1.553 -9.155 1.00 0.91 C ATOM 0 H THR B 126 2.051 0.202 -5.522 1.00 0.55 H new ATOM 0 HA THR B 126 4.416 0.627 -6.973 1.00 0.74 H new ATOM 0 HB THR B 126 1.531 1.400 -7.571 1.00 0.81 H new ATOM 0 HG1 THR B 126 1.751 -0.846 -7.285 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.209 1.384 -9.938 1.00 0.91 H new ATOM 0 HG22 THR B 126 3.083 2.625 -9.009 1.00 0.91 H new ATOM 0 HG23 THR B 126 3.897 1.105 -9.449 1.00 0.91 H new ATOM 1037 N ALA B 127 2.777 3.319 -5.985 1.00 0.96 N ATOM 1038 CA ALA B 127 2.839 4.760 -5.836 1.00 1.09 C ATOM 1039 C ALA B 127 3.965 5.199 -4.907 1.00 1.18 C ATOM 1040 O ALA B 127 4.710 6.116 -5.230 1.00 1.38 O ATOM 1041 CB ALA B 127 1.507 5.273 -5.317 1.00 1.18 C ATOM 0 H ALA B 127 1.929 2.894 -5.608 1.00 0.96 H new ATOM 0 HA ALA B 127 3.048 5.186 -6.817 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.553 6.356 -5.205 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.718 5.015 -6.023 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.293 4.817 -4.350 1.00 1.18 H new ATOM 1047 N GLU B 128 4.089 4.546 -3.749 1.00 1.12 N ATOM 1048 CA GLU B 128 5.088 4.942 -2.755 1.00 1.31 C ATOM 1049 C GLU B 128 6.496 4.850 -3.327 1.00 1.38 C ATOM 1050 O GLU B 128 7.352 5.692 -3.049 1.00 1.62 O ATOM 1051 CB GLU B 128 4.994 4.082 -1.498 1.00 1.35 C ATOM 1052 CG GLU B 128 5.800 4.643 -0.338 1.00 1.46 C ATOM 1053 CD GLU B 128 5.165 5.876 0.274 1.00 1.46 C ATOM 1054 OE1 GLU B 128 5.199 6.004 1.515 1.00 2.01 O ATOM 1055 OE2 GLU B 128 4.619 6.716 -0.477 1.00 1.95 O ATOM 0 H GLU B 128 3.515 3.747 -3.478 1.00 1.12 H new ATOM 0 HA GLU B 128 4.879 5.978 -2.488 1.00 1.31 H new ATOM 0 HB2 GLU B 128 3.949 3.995 -1.200 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.345 3.075 -1.725 1.00 1.35 H new ATOM 0 HG2 GLU B 128 5.907 3.876 0.429 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.804 4.890 -0.684 1.00 1.46 H new ATOM 1062 N ILE B 129 6.715 3.825 -4.135 1.00 1.24 N ATOM 1063 CA ILE B 129 7.990 3.661 -4.805 1.00 1.42 C ATOM 1064 C ILE B 129 8.272 4.868 -5.678 1.00 1.64 C ATOM 1065 O ILE B 129 9.387 5.388 -5.696 1.00 1.92 O ATOM 1066 CB ILE B 129 8.022 2.371 -5.647 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.922 1.170 -4.714 1.00 1.14 C ATOM 1068 CG2 ILE B 129 9.290 2.299 -6.496 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.794 -0.155 -5.419 1.00 1.01 C ATOM 0 H ILE B 129 6.029 3.099 -4.341 1.00 1.24 H new ATOM 0 HA ILE B 129 8.766 3.578 -4.044 1.00 1.42 H new ATOM 0 HB ILE B 129 7.175 2.369 -6.333 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.806 1.145 -4.077 1.00 1.14 H new ATOM 0 HG13 ILE B 129 7.061 1.304 -4.059 1.00 1.14 H new ATOM 0 HG21 ILE B 129 9.285 1.378 -7.080 1.00 1.59 H new ATOM 0 HG22 ILE B 129 9.326 3.155 -7.169 1.00 1.59 H new ATOM 0 HG23 ILE B 129 10.165 2.312 -5.846 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.729 -0.955 -4.681 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.894 -0.154 -6.034 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.666 -0.316 -6.052 1.00 1.01 H new ATOM 1081 N GLU B 130 7.239 5.332 -6.367 1.00 1.55 N ATOM 1082 CA GLU B 130 7.339 6.502 -7.214 1.00 1.76 C ATOM 1083 C GLU B 130 7.821 7.713 -6.420 1.00 1.94 C ATOM 1084 O GLU B 130 8.687 8.439 -6.883 1.00 2.19 O ATOM 1085 CB GLU B 130 5.989 6.813 -7.855 1.00 1.67 C ATOM 1086 CG GLU B 130 5.559 5.808 -8.906 1.00 1.60 C ATOM 1087 CD GLU B 130 4.365 6.297 -9.692 1.00 1.81 C ATOM 1088 OE1 GLU B 130 3.266 5.723 -9.543 1.00 2.25 O ATOM 1089 OE2 GLU B 130 4.520 7.274 -10.456 1.00 2.16 O ATOM 0 H GLU B 130 6.312 4.906 -6.352 1.00 1.55 H new ATOM 0 HA GLU B 130 8.067 6.286 -7.996 1.00 1.76 H new ATOM 0 HB2 GLU B 130 5.229 6.855 -7.075 1.00 1.67 H new ATOM 0 HB3 GLU B 130 6.034 7.802 -8.310 1.00 1.67 H new ATOM 0 HG2 GLU B 130 6.389 5.616 -9.586 1.00 1.60 H new ATOM 0 HG3 GLU B 130 5.315 4.861 -8.425 1.00 1.60 H new ATOM 1096 N LYS B 131 7.289 7.908 -5.211 1.00 1.85 N ATOM 1097 CA LYS B 131 7.678 9.060 -4.380 1.00 2.07 C ATOM 1098 C LYS B 131 9.185 9.081 -4.165 1.00 2.28 C ATOM 1099 O LYS B 131 9.839 10.108 -4.363 1.00 2.53 O ATOM 1100 CB LYS B 131 6.999 9.032 -3.003 1.00 2.03 C ATOM 1101 CG LYS B 131 5.557 9.519 -2.973 1.00 2.33 C ATOM 1102 CD LYS B 131 4.611 8.529 -3.617 1.00 2.59 C ATOM 1103 CE LYS B 131 3.184 8.722 -3.138 1.00 3.17 C ATOM 1104 NZ LYS B 131 3.054 8.506 -1.670 1.00 3.73 N ATOM 0 H LYS B 131 6.595 7.293 -4.785 1.00 1.85 H new ATOM 0 HA LYS B 131 7.356 9.952 -4.917 1.00 2.07 H new ATOM 0 HB2 LYS B 131 7.027 8.010 -2.624 1.00 2.03 H new ATOM 0 HB3 LYS B 131 7.585 9.643 -2.316 1.00 2.03 H new ATOM 0 HG2 LYS B 131 5.254 9.691 -1.940 1.00 2.33 H new ATOM 0 HG3 LYS B 131 5.487 10.476 -3.490 1.00 2.33 H new ATOM 0 HD2 LYS B 131 4.649 8.641 -4.701 1.00 2.59 H new ATOM 0 HD3 LYS B 131 4.937 7.514 -3.390 1.00 2.59 H new ATOM 0 HE2 LYS B 131 2.851 9.730 -3.387 1.00 3.17 H new ATOM 0 HE3 LYS B 131 2.528 8.030 -3.666 1.00 3.17 H new ATOM 0 HZ1 LYS B 131 2.217 7.919 -1.478 1.00 3.73 H new ATOM 0 HZ2 LYS B 131 3.904 8.024 -1.313 1.00 3.73 H new ATOM 0 HZ3 LYS B 131 2.950 9.424 -1.192 1.00 3.73 H new ATOM 1118 N ILE B 132 9.727 7.942 -3.759 1.00 2.21 N ATOM 1119 CA ILE B 132 11.150 7.823 -3.478 1.00 2.47 C ATOM 1120 C ILE B 132 11.971 7.966 -4.760 1.00 2.68 C ATOM 1121 O ILE B 132 13.077 8.501 -4.745 1.00 2.98 O ATOM 1122 CB ILE B 132 11.471 6.469 -2.821 1.00 2.40 C ATOM 1123 CG1 ILE B 132 10.384 6.102 -1.805 1.00 2.18 C ATOM 1124 CG2 ILE B 132 12.838 6.516 -2.147 1.00 2.72 C ATOM 1125 CD1 ILE B 132 10.640 4.804 -1.083 1.00 2.19 C ATOM 0 H ILE B 132 9.198 7.082 -3.616 1.00 2.21 H new ATOM 0 HA ILE B 132 11.415 8.626 -2.789 1.00 2.47 H new ATOM 0 HB ILE B 132 11.495 5.702 -3.595 1.00 2.40 H new ATOM 0 HG12 ILE B 132 10.299 6.904 -1.072 1.00 2.18 H new ATOM 0 HG13 ILE B 132 9.425 6.038 -2.320 1.00 2.18 H new ATOM 0 HG21 ILE B 132 13.050 5.551 -1.687 1.00 2.72 H new ATOM 0 HG22 ILE B 132 13.603 6.740 -2.891 1.00 2.72 H new ATOM 0 HG23 ILE B 132 12.839 7.291 -1.381 1.00 2.72 H new ATOM 0 HD11 ILE B 132 9.828 4.612 -0.381 1.00 2.19 H new ATOM 0 HD12 ILE B 132 10.695 3.990 -1.806 1.00 2.19 H new ATOM 0 HD13 ILE B 132 11.582 4.870 -0.539 1.00 2.19 H new ATOM 1137 N GLN B 133 11.414 7.485 -5.864 1.00 2.56 N ATOM 1138 CA GLN B 133 12.089 7.548 -7.158 1.00 2.81 C ATOM 1139 C GLN B 133 12.087 8.966 -7.726 1.00 2.97 C ATOM 1140 O GLN B 133 13.057 9.394 -8.350 1.00 3.27 O ATOM 1141 CB GLN B 133 11.428 6.591 -8.153 1.00 2.72 C ATOM 1142 CG GLN B 133 11.573 5.122 -7.786 1.00 2.73 C ATOM 1143 CD GLN B 133 13.000 4.611 -7.883 1.00 2.94 C ATOM 1144 OE1 GLN B 133 13.965 5.354 -7.694 1.00 3.49 O ATOM 1145 NE2 GLN B 133 13.138 3.331 -8.185 1.00 2.90 N ATOM 0 H GLN B 133 10.494 7.045 -5.891 1.00 2.56 H new ATOM 0 HA GLN B 133 13.125 7.247 -7.001 1.00 2.81 H new ATOM 0 HB2 GLN B 133 10.368 6.834 -8.226 1.00 2.72 H new ATOM 0 HB3 GLN B 133 11.861 6.753 -9.140 1.00 2.72 H new ATOM 0 HG2 GLN B 133 11.210 4.972 -6.769 1.00 2.73 H new ATOM 0 HG3 GLN B 133 10.937 4.527 -8.442 1.00 2.73 H new ATOM 0 HE21 GLN B 133 12.313 2.750 -8.334 1.00 2.90 H new ATOM 0 HE22 GLN B 133 14.070 2.924 -8.269 1.00 2.90 H new ATOM 1154 N LYS B 134 10.993 9.691 -7.518 1.00 2.82 N ATOM 1155 CA LYS B 134 10.870 11.055 -8.037 1.00 3.02 C ATOM 1156 C LYS B 134 11.717 12.023 -7.226 1.00 3.29 C ATOM 1157 O LYS B 134 12.254 12.998 -7.759 1.00 3.54 O ATOM 1158 CB LYS B 134 9.421 11.548 -7.997 1.00 2.88 C ATOM 1159 CG LYS B 134 8.421 10.635 -8.675 1.00 2.84 C ATOM 1160 CD LYS B 134 7.010 11.193 -8.568 1.00 2.90 C ATOM 1161 CE LYS B 134 5.949 10.127 -8.824 1.00 3.30 C ATOM 1162 NZ LYS B 134 6.064 9.510 -10.173 1.00 3.82 N ATOM 0 H LYS B 134 10.180 9.362 -6.997 1.00 2.82 H new ATOM 0 HA LYS B 134 11.215 11.024 -9.070 1.00 3.02 H new ATOM 0 HB2 LYS B 134 9.125 11.679 -6.956 1.00 2.88 H new ATOM 0 HB3 LYS B 134 9.373 12.530 -8.468 1.00 2.88 H new ATOM 0 HG2 LYS B 134 8.689 10.513 -9.725 1.00 2.84 H new ATOM 0 HG3 LYS B 134 8.460 9.646 -8.219 1.00 2.84 H new ATOM 0 HD2 LYS B 134 6.863 11.618 -7.575 1.00 2.90 H new ATOM 0 HD3 LYS B 134 6.887 12.005 -9.284 1.00 2.90 H new ATOM 0 HE2 LYS B 134 6.032 9.349 -8.065 1.00 3.30 H new ATOM 0 HE3 LYS B 134 4.960 10.572 -8.716 1.00 3.30 H new ATOM 0 HZ1 LYS B 134 5.289 8.831 -10.311 1.00 3.82 H new ATOM 0 HZ2 LYS B 134 6.008 10.252 -10.900 1.00 3.82 H new ATOM 0 HZ3 LYS B 134 6.976 9.016 -10.252 1.00 3.82 H new ATOM 1176 N GLY B 135 11.822 11.755 -5.937 1.00 3.29 N ATOM 1177 CA GLY B 135 12.473 12.680 -5.042 1.00 3.59 C ATOM 1178 C GLY B 135 13.985 12.590 -5.106 1.00 4.02 C ATOM 1179 O GLY B 135 14.505 11.492 -5.391 1.00 4.46 O ATOM 1180 OXT GLY B 135 14.662 13.616 -4.874 1.00 4.40 O ATOM 0 H GLY B 135 11.466 10.908 -5.493 1.00 3.29 H new ATOM 0 HA2 GLY B 135 12.163 13.696 -5.287 1.00 3.59 H new ATOM 0 HA3 GLY B 135 12.144 12.484 -4.021 1.00 3.59 H new TER 1184 GLY B 135