USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1007 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 80 THR OG1 : rot 180:sc= 1.01 USER MOD Set 1.2: A 83 SER OG : rot 74:sc= 1.21 USER MOD Set 2.1: A 57 TYR OH : rot -123:sc= 1.31 USER MOD Set 2.2: B 204 A O2' : rot -80:sc= 1.07 USER MOD Set 3.1: A 25 ASN : amide:sc= -0.103 K(o=-0.28,f=-1.3) USER MOD Set 3.2: A 96 GLN : amide:sc= -0.178 K(o=-0.28,f=-0.98) USER MOD Set 4.1: A 21 ASN : amide:sc= -0.107 K(o=-0.055,f=-3.3!) USER MOD Set 4.2: A 23 THR OG1 : rot -81:sc= 0.0516 USER MOD Set 5.1: A 7 MET CE :methyl -138:sc= -1.58 (180deg=-6.62!) USER MOD Set 5.2: A 44 TYR OH : rot -177:sc= -2.35! USER MOD Set 5.3: A 116 CYS SG : rot 7:sc= -2.61! USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.046 (180deg=0) USER MOD Single : A 3 MET CE :methyl -164:sc= -0.429 (180deg=-1.09) USER MOD Single : A 5 MET CE :methyl 170:sc= -3.71! (180deg=-4.09!) USER MOD Single : A 10 TYR OH : rot 164:sc= 0.0549 USER MOD Single : A 15 SER OG : rot -118:sc= -0.688 USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= 1.19 (180deg=1.01) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.22) USER MOD Single : A 22 ASN : amide:sc= 0.351 X(o=0.35,f=-0.0086) USER MOD Single : A 24 THR OG1 : rot -26:sc= 1.23 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -130:sc= -0.256 USER MOD Single : A 41 ASN : amide:sc= -0.092 X(o=-0.092,f=-0.11) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 177:sc= 0.452 USER MOD Single : A 51 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.027) USER MOD Single : A 52 SER OG : rot 61:sc= 0.537 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 142:sc= 0.966 USER MOD Single : A 68 SER OG : rot -35:sc= 0.13 USER MOD Single : A 69 SER OG : rot -140:sc= -0.64 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc=-0.000785 X(o=-0.00078,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -140:sc= -0.0727 (180deg=-0.521) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 97:sc= 0.0256 USER MOD Single : A 86 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.0047) USER MOD Single : A 87 SER OG : rot 65:sc= 1.22 USER MOD Single : A 89 ASN : amide:sc= -0.0327 X(o=-0.033,f=-0.24) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= -0.0194 (180deg=-0.259) USER MOD Single : A 98 HIS : no HD1:sc= -0.849 X(o=-0.85,f=-1.2) USER MOD Single : A 99 CYS SG : rot 69:sc= -3.63! USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0895 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 168:sc= 0.377 (180deg=0.147) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0.711 K(o=0.71,f=-0.25) USER MOD Single : B 205 C O2' : rot -5:sc= 0.442 USER MOD Single : B 205 C O3' : rot -149:sc= -1.77 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.563 19.133 5.963 1.00 4.50 N ATOM 2 CA GLY A 1 -14.207 18.546 6.098 1.00 3.82 C ATOM 3 C GLY A 1 -14.251 17.135 6.646 1.00 3.11 C ATOM 4 O GLY A 1 -15.277 16.457 6.535 1.00 3.68 O ATOM 0 H1 GLY A 1 -15.614 19.692 5.088 1.00 4.50 H new ATOM 0 H2 GLY A 1 -16.269 18.371 5.928 1.00 4.50 H new ATOM 0 H3 GLY A 1 -15.758 19.748 6.779 1.00 4.50 H new ATOM 0 HA2 GLY A 1 -13.715 18.542 5.125 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -13.605 19.172 6.757 1.00 3.82 H new ATOM 10 N ALA A 2 -13.130 16.693 7.224 1.00 2.29 N ATOM 11 CA ALA A 2 -13.026 15.365 7.833 1.00 2.08 C ATOM 12 C ALA A 2 -13.349 14.265 6.823 1.00 1.48 C ATOM 13 O ALA A 2 -13.885 13.214 7.175 1.00 1.84 O ATOM 14 CB ALA A 2 -13.938 15.266 9.049 1.00 2.71 C ATOM 0 H ALA A 2 -12.273 17.243 7.283 1.00 2.29 H new ATOM 0 HA ALA A 2 -11.996 15.223 8.159 1.00 2.08 H new ATOM 0 HB1 ALA A 2 -13.849 14.273 9.490 1.00 2.71 H new ATOM 0 HB2 ALA A 2 -13.648 16.017 9.784 1.00 2.71 H new ATOM 0 HB3 ALA A 2 -14.971 15.437 8.744 1.00 2.71 H new ATOM 20 N MET A 3 -13.002 14.504 5.567 1.00 1.46 N ATOM 21 CA MET A 3 -13.339 13.576 4.495 1.00 1.11 C ATOM 22 C MET A 3 -12.140 12.727 4.101 1.00 0.83 C ATOM 23 O MET A 3 -11.902 12.463 2.922 1.00 0.86 O ATOM 24 CB MET A 3 -13.893 14.329 3.287 1.00 1.57 C ATOM 25 CG MET A 3 -15.309 14.828 3.503 1.00 2.17 C ATOM 26 SD MET A 3 -16.014 15.608 2.040 1.00 3.21 S ATOM 27 CE MET A 3 -17.737 15.710 2.527 1.00 4.12 C ATOM 0 H MET A 3 -12.488 15.331 5.264 1.00 1.46 H new ATOM 0 HA MET A 3 -14.112 12.903 4.865 1.00 1.11 H new ATOM 0 HB2 MET A 3 -13.244 15.176 3.064 1.00 1.57 H new ATOM 0 HB3 MET A 3 -13.873 13.674 2.416 1.00 1.57 H new ATOM 0 HG2 MET A 3 -15.941 13.992 3.802 1.00 2.17 H new ATOM 0 HG3 MET A 3 -15.315 15.542 4.327 1.00 2.17 H new ATOM 0 HE1 MET A 3 -18.353 15.900 1.648 1.00 4.12 H new ATOM 0 HE2 MET A 3 -18.041 14.770 2.987 1.00 4.12 H new ATOM 0 HE3 MET A 3 -17.865 16.522 3.242 1.00 4.12 H new ATOM 37 N ALA A 4 -11.386 12.304 5.100 1.00 0.78 N ATOM 38 CA ALA A 4 -10.265 11.407 4.887 1.00 0.62 C ATOM 39 C ALA A 4 -10.562 10.061 5.528 1.00 0.57 C ATOM 40 O ALA A 4 -10.811 9.977 6.731 1.00 0.79 O ATOM 41 CB ALA A 4 -8.982 12.003 5.449 1.00 0.73 C ATOM 0 H ALA A 4 -11.532 12.570 6.074 1.00 0.78 H new ATOM 0 HA ALA A 4 -10.122 11.265 3.816 1.00 0.62 H new ATOM 0 HB1 ALA A 4 -8.155 11.314 5.278 1.00 0.73 H new ATOM 0 HB2 ALA A 4 -8.773 12.951 4.952 1.00 0.73 H new ATOM 0 HB3 ALA A 4 -9.098 12.172 6.520 1.00 0.73 H new ATOM 47 N MET A 5 -10.567 9.016 4.720 1.00 0.40 N ATOM 48 CA MET A 5 -10.893 7.682 5.196 1.00 0.39 C ATOM 49 C MET A 5 -9.701 6.751 5.076 1.00 0.36 C ATOM 50 O MET A 5 -9.016 6.745 4.061 1.00 0.38 O ATOM 51 CB MET A 5 -12.065 7.107 4.396 1.00 0.41 C ATOM 52 CG MET A 5 -13.422 7.625 4.837 1.00 0.47 C ATOM 53 SD MET A 5 -14.788 6.704 4.105 1.00 0.54 S ATOM 54 CE MET A 5 -14.444 5.059 4.728 1.00 1.31 C ATOM 0 H MET A 5 -10.348 9.066 3.725 1.00 0.40 H new ATOM 0 HA MET A 5 -11.170 7.763 6.247 1.00 0.39 H new ATOM 0 HB2 MET A 5 -11.922 7.342 3.341 1.00 0.41 H new ATOM 0 HB3 MET A 5 -12.055 6.021 4.485 1.00 0.41 H new ATOM 0 HG2 MET A 5 -13.492 7.569 5.923 1.00 0.47 H new ATOM 0 HG3 MET A 5 -13.511 8.677 4.565 1.00 0.47 H new ATOM 0 HE1 MET A 5 -15.290 4.405 4.515 1.00 1.31 H new ATOM 0 HE2 MET A 5 -13.550 4.666 4.243 1.00 1.31 H new ATOM 0 HE3 MET A 5 -14.282 5.104 5.805 1.00 1.31 H new ATOM 64 N PRO A 6 -9.423 5.958 6.115 1.00 0.38 N ATOM 65 CA PRO A 6 -8.439 4.885 6.021 1.00 0.37 C ATOM 66 C PRO A 6 -8.861 3.896 4.941 1.00 0.32 C ATOM 67 O PRO A 6 -9.985 3.400 4.958 1.00 0.30 O ATOM 68 CB PRO A 6 -8.478 4.225 7.405 1.00 0.47 C ATOM 69 CG PRO A 6 -9.094 5.241 8.306 1.00 0.53 C ATOM 70 CD PRO A 6 -10.035 6.041 7.452 1.00 0.49 C ATOM 0 HA PRO A 6 -7.441 5.236 5.757 1.00 0.37 H new ATOM 0 HB2 PRO A 6 -9.065 3.307 7.387 1.00 0.47 H new ATOM 0 HB3 PRO A 6 -7.477 3.956 7.741 1.00 0.47 H new ATOM 0 HG2 PRO A 6 -9.626 4.761 9.128 1.00 0.53 H new ATOM 0 HG3 PRO A 6 -8.332 5.881 8.750 1.00 0.53 H new ATOM 0 HD2 PRO A 6 -11.042 5.624 7.461 1.00 0.49 H new ATOM 0 HD3 PRO A 6 -10.114 7.072 7.796 1.00 0.49 H new ATOM 78 N MET A 7 -7.968 3.635 3.993 1.00 0.31 N ATOM 79 CA MET A 7 -8.290 2.819 2.825 1.00 0.28 C ATOM 80 C MET A 7 -8.734 1.409 3.210 1.00 0.27 C ATOM 81 O MET A 7 -9.532 0.789 2.501 1.00 0.29 O ATOM 82 CB MET A 7 -7.097 2.777 1.876 1.00 0.30 C ATOM 83 CG MET A 7 -7.056 3.950 0.912 1.00 0.33 C ATOM 84 SD MET A 7 -8.088 3.688 -0.542 1.00 1.17 S ATOM 85 CE MET A 7 -7.144 2.428 -1.385 1.00 0.48 C ATOM 0 H MET A 7 -7.008 3.979 4.010 1.00 0.31 H new ATOM 0 HA MET A 7 -9.134 3.284 2.316 1.00 0.28 H new ATOM 0 HB2 MET A 7 -6.177 2.763 2.460 1.00 0.30 H new ATOM 0 HB3 MET A 7 -7.127 1.848 1.306 1.00 0.30 H new ATOM 0 HG2 MET A 7 -7.385 4.852 1.429 1.00 0.33 H new ATOM 0 HG3 MET A 7 -6.027 4.121 0.597 1.00 0.33 H new ATOM 0 HE1 MET A 7 -7.120 2.645 -2.453 1.00 0.48 H new ATOM 0 HE2 MET A 7 -6.126 2.414 -0.995 1.00 0.48 H new ATOM 0 HE3 MET A 7 -7.608 1.455 -1.222 1.00 0.48 H new ATOM 95 N ILE A 8 -8.237 0.909 4.334 1.00 0.26 N ATOM 96 CA ILE A 8 -8.700 -0.370 4.854 1.00 0.25 C ATOM 97 C ILE A 8 -10.155 -0.256 5.297 1.00 0.24 C ATOM 98 O ILE A 8 -10.984 -1.099 4.954 1.00 0.26 O ATOM 99 CB ILE A 8 -7.816 -0.869 6.020 1.00 0.23 C ATOM 100 CG1 ILE A 8 -6.469 -1.348 5.479 1.00 0.25 C ATOM 101 CG2 ILE A 8 -8.503 -1.976 6.811 1.00 0.25 C ATOM 102 CD1 ILE A 8 -6.576 -2.501 4.499 1.00 0.27 C ATOM 0 H ILE A 8 -7.520 1.365 4.898 1.00 0.26 H new ATOM 0 HA ILE A 8 -8.625 -1.105 4.052 1.00 0.25 H new ATOM 0 HB ILE A 8 -7.652 -0.037 6.704 1.00 0.23 H new ATOM 0 HG12 ILE A 8 -5.967 -0.513 4.990 1.00 0.25 H new ATOM 0 HG13 ILE A 8 -5.840 -1.652 6.315 1.00 0.25 H new ATOM 0 HG21 ILE A 8 -7.852 -2.302 7.622 1.00 0.25 H new ATOM 0 HG22 ILE A 8 -9.439 -1.600 7.225 1.00 0.25 H new ATOM 0 HG23 ILE A 8 -8.711 -2.819 6.152 1.00 0.25 H new ATOM 0 HD11 ILE A 8 -5.579 -2.784 4.160 1.00 0.27 H new ATOM 0 HD12 ILE A 8 -7.048 -3.352 4.989 1.00 0.27 H new ATOM 0 HD13 ILE A 8 -7.178 -2.196 3.643 1.00 0.27 H new ATOM 114 N GLU A 9 -10.469 0.819 6.016 1.00 0.26 N ATOM 115 CA GLU A 9 -11.834 1.057 6.479 1.00 0.28 C ATOM 116 C GLU A 9 -12.764 1.291 5.290 1.00 0.26 C ATOM 117 O GLU A 9 -13.944 0.938 5.327 1.00 0.28 O ATOM 118 CB GLU A 9 -11.895 2.260 7.426 1.00 0.32 C ATOM 119 CG GLU A 9 -13.279 2.479 8.015 1.00 0.40 C ATOM 120 CD GLU A 9 -13.402 3.763 8.805 1.00 0.87 C ATOM 121 OE1 GLU A 9 -13.113 3.745 10.020 1.00 1.01 O ATOM 122 OE2 GLU A 9 -13.753 4.798 8.208 1.00 1.62 O ATOM 0 H GLU A 9 -9.799 1.537 6.290 1.00 0.26 H new ATOM 0 HA GLU A 9 -12.160 0.171 7.024 1.00 0.28 H new ATOM 0 HB2 GLU A 9 -11.180 2.115 8.236 1.00 0.32 H new ATOM 0 HB3 GLU A 9 -11.589 3.156 6.887 1.00 0.32 H new ATOM 0 HG2 GLU A 9 -14.012 2.487 7.208 1.00 0.40 H new ATOM 0 HG3 GLU A 9 -13.527 1.638 8.663 1.00 0.40 H new ATOM 129 N TYR A 10 -12.220 1.893 4.236 1.00 0.28 N ATOM 130 CA TYR A 10 -12.963 2.112 3.002 1.00 0.29 C ATOM 131 C TYR A 10 -13.482 0.771 2.485 1.00 0.28 C ATOM 132 O TYR A 10 -14.638 0.645 2.081 1.00 0.31 O ATOM 133 CB TYR A 10 -12.064 2.786 1.952 1.00 0.31 C ATOM 134 CG TYR A 10 -12.818 3.433 0.807 1.00 0.39 C ATOM 135 CD1 TYR A 10 -13.466 4.649 0.987 1.00 0.50 C ATOM 136 CD2 TYR A 10 -12.880 2.839 -0.450 1.00 0.47 C ATOM 137 CE1 TYR A 10 -14.158 5.250 -0.045 1.00 0.59 C ATOM 138 CE2 TYR A 10 -13.571 3.439 -1.488 1.00 0.57 C ATOM 139 CZ TYR A 10 -14.209 4.644 -1.279 1.00 0.60 C ATOM 140 OH TYR A 10 -14.906 5.238 -2.307 1.00 0.71 O ATOM 0 H TYR A 10 -11.261 2.239 4.214 1.00 0.28 H new ATOM 0 HA TYR A 10 -13.808 2.772 3.197 1.00 0.29 H new ATOM 0 HB2 TYR A 10 -11.455 3.544 2.445 1.00 0.31 H new ATOM 0 HB3 TYR A 10 -11.379 2.042 1.546 1.00 0.31 H new ATOM 0 HD1 TYR A 10 -13.427 5.133 1.952 1.00 0.50 H new ATOM 0 HD2 TYR A 10 -12.381 1.896 -0.618 1.00 0.47 H new ATOM 0 HE1 TYR A 10 -14.658 6.194 0.116 1.00 0.59 H new ATOM 0 HE2 TYR A 10 -13.611 2.966 -2.458 1.00 0.57 H new ATOM 0 HH TYR A 10 -14.645 4.829 -3.158 1.00 0.71 H new ATOM 150 N LEU A 11 -12.622 -0.239 2.537 1.00 0.27 N ATOM 151 CA LEU A 11 -12.993 -1.580 2.117 1.00 0.28 C ATOM 152 C LEU A 11 -13.994 -2.206 3.081 1.00 0.28 C ATOM 153 O LEU A 11 -14.978 -2.813 2.655 1.00 0.31 O ATOM 154 CB LEU A 11 -11.757 -2.468 2.001 1.00 0.32 C ATOM 155 CG LEU A 11 -10.626 -1.913 1.135 1.00 0.55 C ATOM 156 CD1 LEU A 11 -9.666 -3.030 0.756 1.00 1.14 C ATOM 157 CD2 LEU A 11 -11.181 -1.219 -0.104 1.00 1.24 C ATOM 0 H LEU A 11 -11.661 -0.152 2.867 1.00 0.27 H new ATOM 0 HA LEU A 11 -13.466 -1.499 1.138 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -11.368 -2.651 3.002 1.00 0.32 H new ATOM 0 HB3 LEU A 11 -12.061 -3.433 1.596 1.00 0.32 H new ATOM 0 HG LEU A 11 -10.077 -1.167 1.710 1.00 0.55 H new ATOM 0 HD11 LEU A 11 -8.863 -2.626 0.139 1.00 1.14 H new ATOM 0 HD12 LEU A 11 -9.243 -3.469 1.660 1.00 1.14 H new ATOM 0 HD13 LEU A 11 -10.202 -3.797 0.197 1.00 1.14 H new ATOM 0 HD21 LEU A 11 -10.357 -0.832 -0.704 1.00 1.24 H new ATOM 0 HD22 LEU A 11 -11.756 -1.933 -0.694 1.00 1.24 H new ATOM 0 HD23 LEU A 11 -11.827 -0.395 0.199 1.00 1.24 H new ATOM 169 N GLU A 12 -13.739 -2.047 4.376 1.00 0.29 N ATOM 170 CA GLU A 12 -14.596 -2.613 5.416 1.00 0.34 C ATOM 171 C GLU A 12 -16.040 -2.161 5.243 1.00 0.39 C ATOM 172 O GLU A 12 -16.966 -2.971 5.257 1.00 0.43 O ATOM 173 CB GLU A 12 -14.104 -2.191 6.803 1.00 0.40 C ATOM 174 CG GLU A 12 -12.647 -2.522 7.061 1.00 0.39 C ATOM 175 CD GLU A 12 -12.163 -2.042 8.415 1.00 0.81 C ATOM 176 OE1 GLU A 12 -12.533 -0.924 8.825 1.00 1.22 O ATOM 177 OE2 GLU A 12 -11.403 -2.778 9.069 1.00 1.50 O ATOM 0 H GLU A 12 -12.938 -1.526 4.734 1.00 0.29 H new ATOM 0 HA GLU A 12 -14.550 -3.698 5.325 1.00 0.34 H new ATOM 0 HB2 GLU A 12 -14.249 -1.117 6.919 1.00 0.40 H new ATOM 0 HB3 GLU A 12 -14.718 -2.679 7.560 1.00 0.40 H new ATOM 0 HG2 GLU A 12 -12.507 -3.601 6.993 1.00 0.39 H new ATOM 0 HG3 GLU A 12 -12.034 -2.071 6.281 1.00 0.39 H new ATOM 184 N ARG A 13 -16.217 -0.866 5.054 1.00 0.40 N ATOM 185 CA ARG A 13 -17.544 -0.271 5.013 1.00 0.47 C ATOM 186 C ARG A 13 -18.233 -0.495 3.671 1.00 0.45 C ATOM 187 O ARG A 13 -19.377 -0.941 3.624 1.00 0.55 O ATOM 188 CB ARG A 13 -17.441 1.224 5.312 1.00 0.55 C ATOM 189 CG ARG A 13 -16.776 1.506 6.645 1.00 0.80 C ATOM 190 CD ARG A 13 -16.433 2.976 6.822 1.00 0.71 C ATOM 191 NE ARG A 13 -17.615 3.826 6.928 1.00 0.77 N ATOM 192 CZ ARG A 13 -17.612 5.036 7.495 1.00 0.92 C ATOM 193 NH1 ARG A 13 -16.491 5.539 8.014 1.00 1.19 N ATOM 194 NH2 ARG A 13 -18.732 5.747 7.539 1.00 1.10 N ATOM 0 H ARG A 13 -15.454 -0.201 4.926 1.00 0.40 H new ATOM 0 HA ARG A 13 -18.155 -0.760 5.772 1.00 0.47 H new ATOM 0 HB2 ARG A 13 -16.876 1.712 4.518 1.00 0.55 H new ATOM 0 HB3 ARG A 13 -18.439 1.661 5.308 1.00 0.55 H new ATOM 0 HG2 ARG A 13 -17.437 1.190 7.452 1.00 0.80 H new ATOM 0 HG3 ARG A 13 -15.866 0.911 6.727 1.00 0.80 H new ATOM 0 HD2 ARG A 13 -15.824 3.096 7.718 1.00 0.71 H new ATOM 0 HD3 ARG A 13 -15.828 3.307 5.978 1.00 0.71 H new ATOM 0 HE ARG A 13 -18.494 3.476 6.547 1.00 0.77 H new ATOM 0 HH11 ARG A 13 -15.626 4.999 7.980 1.00 1.19 H new ATOM 0 HH12 ARG A 13 -16.498 6.464 8.445 1.00 1.19 H new ATOM 0 HH21 ARG A 13 -19.592 5.369 7.141 1.00 1.10 H new ATOM 0 HH22 ARG A 13 -18.733 6.671 7.971 1.00 1.10 H new ATOM 208 N PHE A 14 -17.537 -0.204 2.580 1.00 0.40 N ATOM 209 CA PHE A 14 -18.176 -0.199 1.269 1.00 0.42 C ATOM 210 C PHE A 14 -18.008 -1.522 0.528 1.00 0.43 C ATOM 211 O PHE A 14 -18.944 -2.003 -0.102 1.00 0.55 O ATOM 212 CB PHE A 14 -17.618 0.936 0.408 1.00 0.42 C ATOM 213 CG PHE A 14 -17.706 2.284 1.059 1.00 0.46 C ATOM 214 CD1 PHE A 14 -18.911 2.954 1.102 1.00 0.61 C ATOM 215 CD2 PHE A 14 -16.589 2.878 1.629 1.00 0.42 C ATOM 216 CE1 PHE A 14 -19.012 4.193 1.694 1.00 0.67 C ATOM 217 CE2 PHE A 14 -16.683 4.122 2.227 1.00 0.50 C ATOM 218 CZ PHE A 14 -17.843 4.778 2.272 1.00 0.60 C ATOM 0 H PHE A 14 -16.544 0.029 2.574 1.00 0.40 H new ATOM 0 HA PHE A 14 -19.241 -0.049 1.444 1.00 0.42 H new ATOM 0 HB2 PHE A 14 -16.575 0.723 0.173 1.00 0.42 H new ATOM 0 HB3 PHE A 14 -18.159 0.963 -0.538 1.00 0.42 H new ATOM 0 HD1 PHE A 14 -19.788 2.500 0.665 1.00 0.61 H new ATOM 0 HD2 PHE A 14 -15.639 2.365 1.606 1.00 0.42 H new ATOM 0 HE1 PHE A 14 -19.958 4.714 1.721 1.00 0.67 H new ATOM 0 HE2 PHE A 14 -15.803 4.569 2.664 1.00 0.50 H new ATOM 0 HZ PHE A 14 -17.899 5.748 2.744 1.00 0.60 H new ATOM 228 N SER A 15 -16.833 -2.125 0.618 1.00 0.39 N ATOM 229 CA SER A 15 -16.501 -3.227 -0.273 1.00 0.46 C ATOM 230 C SER A 15 -16.887 -4.581 0.320 1.00 0.49 C ATOM 231 O SER A 15 -17.593 -5.365 -0.316 1.00 0.59 O ATOM 232 CB SER A 15 -15.007 -3.206 -0.604 1.00 0.47 C ATOM 233 OG SER A 15 -14.695 -4.140 -1.620 1.00 1.46 O ATOM 0 H SER A 15 -16.104 -1.876 1.287 1.00 0.39 H new ATOM 0 HA SER A 15 -17.079 -3.092 -1.187 1.00 0.46 H new ATOM 0 HB2 SER A 15 -14.717 -2.205 -0.925 1.00 0.47 H new ATOM 0 HB3 SER A 15 -14.430 -3.433 0.292 1.00 0.47 H new ATOM 0 HG SER A 15 -14.071 -4.809 -1.269 1.00 1.46 H new ATOM 239 N LEU A 16 -16.445 -4.846 1.538 1.00 0.45 N ATOM 240 CA LEU A 16 -16.649 -6.154 2.149 1.00 0.51 C ATOM 241 C LEU A 16 -17.854 -6.170 3.078 1.00 0.57 C ATOM 242 O LEU A 16 -18.405 -7.230 3.374 1.00 0.67 O ATOM 243 CB LEU A 16 -15.398 -6.584 2.920 1.00 0.54 C ATOM 244 CG LEU A 16 -14.187 -6.936 2.054 1.00 0.57 C ATOM 245 CD1 LEU A 16 -12.989 -7.251 2.928 1.00 1.13 C ATOM 246 CD2 LEU A 16 -14.499 -8.117 1.151 1.00 1.33 C ATOM 0 H LEU A 16 -15.944 -4.177 2.123 1.00 0.45 H new ATOM 0 HA LEU A 16 -16.841 -6.859 1.340 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -15.116 -5.781 3.601 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -15.649 -7.449 3.534 1.00 0.54 H new ATOM 0 HG LEU A 16 -13.951 -6.075 1.429 1.00 0.57 H new ATOM 0 HD11 LEU A 16 -12.135 -7.500 2.298 1.00 1.13 H new ATOM 0 HD12 LEU A 16 -12.747 -6.383 3.541 1.00 1.13 H new ATOM 0 HD13 LEU A 16 -13.222 -8.097 3.574 1.00 1.13 H new ATOM 0 HD21 LEU A 16 -13.625 -8.351 0.543 1.00 1.33 H new ATOM 0 HD22 LEU A 16 -14.760 -8.982 1.761 1.00 1.33 H new ATOM 0 HD23 LEU A 16 -15.337 -7.866 0.500 1.00 1.33 H new ATOM 258 N LYS A 17 -18.253 -4.982 3.534 1.00 0.56 N ATOM 259 CA LYS A 17 -19.360 -4.829 4.481 1.00 0.66 C ATOM 260 C LYS A 17 -19.017 -5.505 5.812 1.00 0.72 C ATOM 261 O LYS A 17 -19.902 -5.830 6.604 1.00 0.83 O ATOM 262 CB LYS A 17 -20.659 -5.423 3.918 1.00 0.75 C ATOM 263 CG LYS A 17 -21.091 -4.858 2.571 1.00 0.77 C ATOM 264 CD LYS A 17 -21.310 -3.355 2.626 1.00 1.12 C ATOM 265 CE LYS A 17 -22.000 -2.843 1.370 1.00 1.28 C ATOM 266 NZ LYS A 17 -21.280 -3.236 0.130 1.00 2.11 N ATOM 0 H LYS A 17 -17.820 -4.101 3.259 1.00 0.56 H new ATOM 0 HA LYS A 17 -19.513 -3.762 4.646 1.00 0.66 H new ATOM 0 HB2 LYS A 17 -20.536 -6.502 3.821 1.00 0.75 H new ATOM 0 HB3 LYS A 17 -21.460 -5.257 4.639 1.00 0.75 H new ATOM 0 HG2 LYS A 17 -20.332 -5.086 1.822 1.00 0.77 H new ATOM 0 HG3 LYS A 17 -22.011 -5.347 2.252 1.00 0.77 H new ATOM 0 HD2 LYS A 17 -21.912 -3.106 3.500 1.00 1.12 H new ATOM 0 HD3 LYS A 17 -20.351 -2.851 2.746 1.00 1.12 H new ATOM 0 HE2 LYS A 17 -23.018 -3.230 1.334 1.00 1.28 H new ATOM 0 HE3 LYS A 17 -22.073 -1.756 1.416 1.00 1.28 H new ATOM 0 HZ1 LYS A 17 -21.674 -2.716 -0.680 1.00 2.11 H new ATOM 0 HZ2 LYS A 17 -20.270 -3.009 0.229 1.00 2.11 H new ATOM 0 HZ3 LYS A 17 -21.392 -4.258 -0.027 1.00 2.11 H new ATOM 280 N ALA A 18 -17.725 -5.694 6.055 1.00 0.68 N ATOM 281 CA ALA A 18 -17.253 -6.426 7.221 1.00 0.75 C ATOM 282 C ALA A 18 -15.880 -5.929 7.656 1.00 0.72 C ATOM 283 O ALA A 18 -15.121 -5.388 6.854 1.00 0.96 O ATOM 284 CB ALA A 18 -17.197 -7.917 6.915 1.00 0.78 C ATOM 0 H ALA A 18 -16.980 -5.346 5.452 1.00 0.68 H new ATOM 0 HA ALA A 18 -17.953 -6.255 8.039 1.00 0.75 H new ATOM 0 HB1 ALA A 18 -16.843 -8.456 7.794 1.00 0.78 H new ATOM 0 HB2 ALA A 18 -18.193 -8.272 6.649 1.00 0.78 H new ATOM 0 HB3 ALA A 18 -16.515 -8.092 6.083 1.00 0.78 H new ATOM 290 N LYS A 19 -15.582 -6.117 8.935 1.00 0.64 N ATOM 291 CA LYS A 19 -14.311 -5.698 9.518 1.00 0.62 C ATOM 292 C LYS A 19 -13.138 -6.504 8.959 1.00 0.55 C ATOM 293 O LYS A 19 -13.144 -7.737 8.994 1.00 0.61 O ATOM 294 CB LYS A 19 -14.379 -5.849 11.044 1.00 0.72 C ATOM 295 CG LYS A 19 -13.057 -5.601 11.756 1.00 0.76 C ATOM 296 CD LYS A 19 -12.545 -4.194 11.512 1.00 1.24 C ATOM 297 CE LYS A 19 -11.119 -4.028 12.002 1.00 2.05 C ATOM 298 NZ LYS A 19 -10.556 -2.715 11.593 1.00 2.59 N ATOM 0 H LYS A 19 -16.214 -6.564 9.599 1.00 0.64 H new ATOM 0 HA LYS A 19 -14.142 -4.654 9.256 1.00 0.62 H new ATOM 0 HB2 LYS A 19 -15.124 -5.155 11.433 1.00 0.72 H new ATOM 0 HB3 LYS A 19 -14.724 -6.855 11.283 1.00 0.72 H new ATOM 0 HG2 LYS A 19 -13.184 -5.762 12.827 1.00 0.76 H new ATOM 0 HG3 LYS A 19 -12.317 -6.323 11.411 1.00 0.76 H new ATOM 0 HD2 LYS A 19 -12.593 -3.968 10.447 1.00 1.24 H new ATOM 0 HD3 LYS A 19 -13.191 -3.478 12.020 1.00 1.24 H new ATOM 0 HE2 LYS A 19 -11.093 -4.114 13.088 1.00 2.05 H new ATOM 0 HE3 LYS A 19 -10.500 -4.832 11.604 1.00 2.05 H new ATOM 0 HZ1 LYS A 19 -9.546 -2.679 11.838 1.00 2.59 H new ATOM 0 HZ2 LYS A 19 -10.668 -2.594 10.566 1.00 2.59 H new ATOM 0 HZ3 LYS A 19 -11.060 -1.952 12.088 1.00 2.59 H new ATOM 312 N ILE A 20 -12.141 -5.788 8.450 1.00 0.48 N ATOM 313 CA ILE A 20 -10.902 -6.390 7.972 1.00 0.45 C ATOM 314 C ILE A 20 -10.184 -7.114 9.113 1.00 0.54 C ATOM 315 O ILE A 20 -10.103 -6.601 10.231 1.00 0.61 O ATOM 316 CB ILE A 20 -9.971 -5.312 7.360 1.00 0.41 C ATOM 317 CG1 ILE A 20 -10.466 -4.895 5.971 1.00 0.34 C ATOM 318 CG2 ILE A 20 -8.527 -5.798 7.284 1.00 0.47 C ATOM 319 CD1 ILE A 20 -10.513 -6.036 4.983 1.00 0.30 C ATOM 0 H ILE A 20 -12.170 -4.773 8.357 1.00 0.48 H new ATOM 0 HA ILE A 20 -11.153 -7.115 7.198 1.00 0.45 H new ATOM 0 HB ILE A 20 -9.998 -4.443 8.018 1.00 0.41 H new ATOM 0 HG12 ILE A 20 -11.462 -4.463 6.063 1.00 0.34 H new ATOM 0 HG13 ILE A 20 -9.814 -4.113 5.581 1.00 0.34 H new ATOM 0 HG21 ILE A 20 -7.903 -5.017 6.850 1.00 0.47 H new ATOM 0 HG22 ILE A 20 -8.169 -6.034 8.286 1.00 0.47 H new ATOM 0 HG23 ILE A 20 -8.476 -6.691 6.661 1.00 0.47 H new ATOM 0 HD11 ILE A 20 -10.872 -5.670 4.021 1.00 0.30 H new ATOM 0 HD12 ILE A 20 -9.514 -6.454 4.862 1.00 0.30 H new ATOM 0 HD13 ILE A 20 -11.187 -6.809 5.352 1.00 0.30 H new ATOM 331 N ASN A 21 -9.676 -8.305 8.829 1.00 0.59 N ATOM 332 CA ASN A 21 -9.019 -9.115 9.842 1.00 0.73 C ATOM 333 C ASN A 21 -7.819 -9.843 9.233 1.00 0.75 C ATOM 334 O ASN A 21 -7.644 -9.837 8.018 1.00 0.71 O ATOM 335 CB ASN A 21 -10.024 -10.109 10.436 1.00 0.83 C ATOM 336 CG ASN A 21 -9.505 -10.839 11.660 1.00 1.27 C ATOM 337 OD1 ASN A 21 -8.640 -10.342 12.381 1.00 1.96 O ATOM 338 ND2 ASN A 21 -10.043 -12.019 11.908 1.00 1.76 N ATOM 0 H ASN A 21 -9.707 -8.731 7.903 1.00 0.59 H new ATOM 0 HA ASN A 21 -8.653 -8.473 10.643 1.00 0.73 H new ATOM 0 HB2 ASN A 21 -10.937 -9.575 10.701 1.00 0.83 H new ATOM 0 HB3 ASN A 21 -10.293 -10.840 9.674 1.00 0.83 H new ATOM 0 HD21 ASN A 21 -9.744 -12.555 12.723 1.00 1.76 H new ATOM 0 HD22 ASN A 21 -10.758 -12.395 11.285 1.00 1.76 H new ATOM 345 N ASN A 22 -6.999 -10.467 10.061 1.00 0.88 N ATOM 346 CA ASN A 22 -5.803 -11.154 9.574 1.00 0.98 C ATOM 347 C ASN A 22 -6.169 -12.342 8.676 1.00 0.93 C ATOM 348 O ASN A 22 -5.390 -12.757 7.815 1.00 1.05 O ATOM 349 CB ASN A 22 -4.947 -11.613 10.761 1.00 1.19 C ATOM 350 CG ASN A 22 -3.681 -12.338 10.340 1.00 1.98 C ATOM 351 OD1 ASN A 22 -3.658 -13.567 10.239 1.00 2.79 O ATOM 352 ND2 ASN A 22 -2.616 -11.587 10.094 1.00 2.54 N ATOM 0 H ASN A 22 -7.134 -10.515 11.071 1.00 0.88 H new ATOM 0 HA ASN A 22 -5.226 -10.454 8.970 1.00 0.98 H new ATOM 0 HB2 ASN A 22 -4.678 -10.746 11.364 1.00 1.19 H new ATOM 0 HB3 ASN A 22 -5.541 -12.271 11.396 1.00 1.19 H new ATOM 0 HD21 ASN A 22 -1.739 -12.023 9.810 1.00 2.54 H new ATOM 0 HD22 ASN A 22 -2.674 -10.573 10.188 1.00 2.54 H new ATOM 359 N THR A 23 -7.373 -12.866 8.861 1.00 0.85 N ATOM 360 CA THR A 23 -7.828 -14.029 8.112 1.00 0.88 C ATOM 361 C THR A 23 -8.643 -13.657 6.870 1.00 0.71 C ATOM 362 O THR A 23 -9.080 -14.538 6.129 1.00 0.74 O ATOM 363 CB THR A 23 -8.672 -14.946 9.009 1.00 1.04 C ATOM 364 OG1 THR A 23 -9.411 -14.154 9.953 1.00 1.30 O ATOM 365 CG2 THR A 23 -7.797 -15.949 9.745 1.00 1.69 C ATOM 0 H THR A 23 -8.055 -12.502 9.527 1.00 0.85 H new ATOM 0 HA THR A 23 -6.930 -14.548 7.776 1.00 0.88 H new ATOM 0 HB THR A 23 -9.365 -15.501 8.377 1.00 1.04 H new ATOM 0 HG1 THR A 23 -8.830 -13.914 10.704 1.00 1.30 H new ATOM 0 HG21 THR A 23 -8.421 -16.585 10.372 1.00 1.69 H new ATOM 0 HG22 THR A 23 -7.263 -16.565 9.022 1.00 1.69 H new ATOM 0 HG23 THR A 23 -7.079 -15.417 10.369 1.00 1.69 H new ATOM 373 N THR A 24 -8.851 -12.365 6.634 1.00 0.57 N ATOM 374 CA THR A 24 -9.638 -11.941 5.481 1.00 0.45 C ATOM 375 C THR A 24 -8.769 -11.846 4.231 1.00 0.42 C ATOM 376 O THR A 24 -7.781 -11.108 4.199 1.00 0.50 O ATOM 377 CB THR A 24 -10.359 -10.594 5.724 1.00 0.44 C ATOM 378 OG1 THR A 24 -9.428 -9.587 6.132 1.00 1.08 O ATOM 379 CG2 THR A 24 -11.440 -10.742 6.785 1.00 0.92 C ATOM 0 H THR A 24 -8.493 -11.606 7.214 1.00 0.57 H new ATOM 0 HA THR A 24 -10.402 -12.704 5.329 1.00 0.45 H new ATOM 0 HB THR A 24 -10.822 -10.293 4.784 1.00 0.44 H new ATOM 0 HG1 THR A 24 -8.659 -10.010 6.568 1.00 1.08 H new ATOM 0 HG21 THR A 24 -11.933 -9.782 6.939 1.00 0.92 H new ATOM 0 HG22 THR A 24 -12.174 -11.478 6.457 1.00 0.92 H new ATOM 0 HG23 THR A 24 -10.989 -11.072 7.721 1.00 0.92 H new ATOM 387 N ASN A 25 -9.127 -12.618 3.213 1.00 0.43 N ATOM 388 CA ASN A 25 -8.407 -12.599 1.948 1.00 0.52 C ATOM 389 C ASN A 25 -8.859 -11.428 1.090 1.00 0.50 C ATOM 390 O ASN A 25 -9.905 -11.487 0.444 1.00 0.52 O ATOM 391 CB ASN A 25 -8.606 -13.904 1.170 1.00 0.64 C ATOM 392 CG ASN A 25 -7.648 -15.001 1.593 1.00 0.91 C ATOM 393 OD1 ASN A 25 -6.516 -15.064 1.110 1.00 1.72 O ATOM 394 ND2 ASN A 25 -8.094 -15.891 2.463 1.00 1.40 N ATOM 0 H ASN A 25 -9.914 -13.266 3.240 1.00 0.43 H new ATOM 0 HA ASN A 25 -7.348 -12.490 2.181 1.00 0.52 H new ATOM 0 HB2 ASN A 25 -9.630 -14.251 1.309 1.00 0.64 H new ATOM 0 HB3 ASN A 25 -8.478 -13.708 0.105 1.00 0.64 H new ATOM 0 HD21 ASN A 25 -7.495 -16.663 2.756 1.00 1.40 H new ATOM 0 HD22 ASN A 25 -9.037 -15.806 2.841 1.00 1.40 H new ATOM 401 N LEU A 26 -8.064 -10.366 1.086 1.00 0.56 N ATOM 402 CA LEU A 26 -8.364 -9.188 0.282 1.00 0.60 C ATOM 403 C LEU A 26 -8.316 -9.511 -1.204 1.00 0.60 C ATOM 404 O LEU A 26 -8.982 -8.857 -1.998 1.00 0.63 O ATOM 405 CB LEU A 26 -7.384 -8.048 0.587 1.00 0.68 C ATOM 406 CG LEU A 26 -7.676 -7.233 1.853 1.00 0.78 C ATOM 407 CD1 LEU A 26 -9.099 -6.699 1.825 1.00 1.36 C ATOM 408 CD2 LEU A 26 -7.434 -8.056 3.109 1.00 1.61 C ATOM 0 H LEU A 26 -7.205 -10.296 1.631 1.00 0.56 H new ATOM 0 HA LEU A 26 -9.373 -8.869 0.542 1.00 0.60 H new ATOM 0 HB2 LEU A 26 -6.382 -8.469 0.673 1.00 0.68 H new ATOM 0 HB3 LEU A 26 -7.372 -7.368 -0.265 1.00 0.68 H new ATOM 0 HG LEU A 26 -6.988 -6.388 1.874 1.00 0.78 H new ATOM 0 HD11 LEU A 26 -9.289 -6.123 2.731 1.00 1.36 H new ATOM 0 HD12 LEU A 26 -9.230 -6.058 0.953 1.00 1.36 H new ATOM 0 HD13 LEU A 26 -9.799 -7.532 1.771 1.00 1.36 H new ATOM 0 HD21 LEU A 26 -7.650 -7.450 3.989 1.00 1.61 H new ATOM 0 HD22 LEU A 26 -8.085 -8.930 3.102 1.00 1.61 H new ATOM 0 HD23 LEU A 26 -6.393 -8.379 3.138 1.00 1.61 H new ATOM 420 N ASP A 27 -7.545 -10.540 -1.552 1.00 0.60 N ATOM 421 CA ASP A 27 -7.315 -10.943 -2.946 1.00 0.61 C ATOM 422 C ASP A 27 -8.598 -10.924 -3.778 1.00 0.64 C ATOM 423 O ASP A 27 -8.650 -10.294 -4.834 1.00 0.71 O ATOM 424 CB ASP A 27 -6.713 -12.353 -2.976 1.00 0.63 C ATOM 425 CG ASP A 27 -6.362 -12.837 -4.377 1.00 0.60 C ATOM 426 OD1 ASP A 27 -7.292 -13.161 -5.146 1.00 0.73 O ATOM 427 OD2 ASP A 27 -5.165 -12.849 -4.732 1.00 0.80 O ATOM 0 H ASP A 27 -7.057 -11.124 -0.873 1.00 0.60 H new ATOM 0 HA ASP A 27 -6.627 -10.221 -3.386 1.00 0.61 H new ATOM 0 HB2 ASP A 27 -5.814 -12.368 -2.360 1.00 0.63 H new ATOM 0 HB3 ASP A 27 -7.420 -13.050 -2.526 1.00 0.63 H new ATOM 432 N TYR A 28 -9.633 -11.587 -3.270 1.00 0.70 N ATOM 433 CA TYR A 28 -10.877 -11.788 -4.015 1.00 0.84 C ATOM 434 C TYR A 28 -11.523 -10.472 -4.439 1.00 0.89 C ATOM 435 O TYR A 28 -12.044 -10.357 -5.549 1.00 1.21 O ATOM 436 CB TYR A 28 -11.869 -12.601 -3.186 1.00 0.96 C ATOM 437 CG TYR A 28 -11.370 -13.981 -2.816 1.00 0.93 C ATOM 438 CD1 TYR A 28 -11.395 -15.016 -3.740 1.00 1.22 C ATOM 439 CD2 TYR A 28 -10.864 -14.248 -1.548 1.00 1.09 C ATOM 440 CE1 TYR A 28 -10.936 -16.277 -3.414 1.00 1.31 C ATOM 441 CE2 TYR A 28 -10.399 -15.507 -1.216 1.00 1.13 C ATOM 442 CZ TYR A 28 -10.467 -16.518 -2.122 1.00 1.08 C ATOM 443 OH TYR A 28 -9.973 -17.771 -1.831 1.00 1.22 O ATOM 0 H TYR A 28 -9.636 -11.999 -2.337 1.00 0.70 H new ATOM 0 HA TYR A 28 -10.616 -12.335 -4.921 1.00 0.84 H new ATOM 0 HB2 TYR A 28 -12.101 -12.052 -2.273 1.00 0.96 H new ATOM 0 HB3 TYR A 28 -12.800 -12.699 -3.744 1.00 0.96 H new ATOM 0 HD1 TYR A 28 -11.780 -14.832 -4.732 1.00 1.22 H new ATOM 0 HD2 TYR A 28 -10.834 -13.459 -0.811 1.00 1.09 H new ATOM 0 HE1 TYR A 28 -10.940 -17.067 -4.150 1.00 1.31 H new ATOM 0 HE2 TYR A 28 -9.982 -15.687 -0.236 1.00 1.13 H new ATOM 0 HH TYR A 28 -9.680 -17.798 -0.896 1.00 1.22 H new ATOM 453 N SER A 29 -11.494 -9.481 -3.566 1.00 0.70 N ATOM 454 CA SER A 29 -12.123 -8.210 -3.870 1.00 0.71 C ATOM 455 C SER A 29 -11.106 -7.223 -4.417 1.00 0.59 C ATOM 456 O SER A 29 -11.402 -6.467 -5.335 1.00 0.61 O ATOM 457 CB SER A 29 -12.778 -7.628 -2.628 1.00 0.81 C ATOM 458 OG SER A 29 -13.330 -8.655 -1.820 1.00 1.03 O ATOM 0 H SER A 29 -11.047 -9.531 -2.651 1.00 0.70 H new ATOM 0 HA SER A 29 -12.887 -8.388 -4.627 1.00 0.71 H new ATOM 0 HB2 SER A 29 -12.043 -7.064 -2.054 1.00 0.81 H new ATOM 0 HB3 SER A 29 -13.561 -6.928 -2.919 1.00 0.81 H new ATOM 0 HG SER A 29 -14.256 -8.429 -1.591 1.00 1.03 H new ATOM 464 N ARG A 30 -9.902 -7.245 -3.857 1.00 0.54 N ATOM 465 CA ARG A 30 -8.855 -6.310 -4.246 1.00 0.52 C ATOM 466 C ARG A 30 -8.651 -6.346 -5.763 1.00 0.42 C ATOM 467 O ARG A 30 -8.593 -5.304 -6.408 1.00 0.40 O ATOM 468 CB ARG A 30 -7.552 -6.631 -3.488 1.00 0.58 C ATOM 469 CG ARG A 30 -6.420 -5.655 -3.731 1.00 0.86 C ATOM 470 CD ARG A 30 -6.345 -4.601 -2.641 1.00 1.15 C ATOM 471 NE ARG A 30 -7.559 -3.792 -2.559 1.00 1.84 N ATOM 472 CZ ARG A 30 -7.550 -2.469 -2.458 1.00 2.40 C ATOM 473 NH1 ARG A 30 -6.391 -1.812 -2.466 1.00 2.56 N ATOM 474 NH2 ARG A 30 -8.693 -1.801 -2.349 1.00 3.30 N ATOM 0 H ARG A 30 -9.627 -7.904 -3.129 1.00 0.54 H new ATOM 0 HA ARG A 30 -9.156 -5.298 -3.977 1.00 0.52 H new ATOM 0 HB2 ARG A 30 -7.767 -6.658 -2.420 1.00 0.58 H new ATOM 0 HB3 ARG A 30 -7.220 -7.630 -3.772 1.00 0.58 H new ATOM 0 HG2 ARG A 30 -5.476 -6.197 -3.779 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -6.558 -5.170 -4.697 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -6.171 -5.088 -1.681 1.00 1.15 H new ATOM 0 HD3 ARG A 30 -5.491 -3.950 -2.828 1.00 1.15 H new ATOM 0 HE ARG A 30 -8.460 -4.269 -2.581 1.00 1.84 H new ATOM 0 HH11 ARG A 30 -5.514 -2.326 -2.550 1.00 2.56 H new ATOM 0 HH12 ARG A 30 -6.381 -0.795 -2.389 1.00 2.56 H new ATOM 0 HH21 ARG A 30 -9.580 -2.305 -2.343 1.00 3.30 H new ATOM 0 HH22 ARG A 30 -8.684 -0.784 -2.271 1.00 3.30 H new ATOM 488 N ARG A 31 -8.625 -7.546 -6.331 1.00 0.42 N ATOM 489 CA ARG A 31 -8.449 -7.718 -7.777 1.00 0.45 C ATOM 490 C ARG A 31 -9.585 -7.078 -8.584 1.00 0.46 C ATOM 491 O ARG A 31 -9.366 -6.584 -9.686 1.00 0.57 O ATOM 492 CB ARG A 31 -8.346 -9.207 -8.123 1.00 0.57 C ATOM 493 CG ARG A 31 -9.557 -10.026 -7.701 1.00 0.83 C ATOM 494 CD ARG A 31 -10.605 -10.134 -8.799 1.00 1.22 C ATOM 495 NE ARG A 31 -11.605 -11.152 -8.492 1.00 1.73 N ATOM 496 CZ ARG A 31 -12.702 -11.366 -9.214 1.00 2.33 C ATOM 497 NH1 ARG A 31 -12.961 -10.619 -10.280 1.00 2.65 N ATOM 498 NH2 ARG A 31 -13.537 -12.332 -8.867 1.00 3.18 N ATOM 0 H ARG A 31 -8.724 -8.420 -5.814 1.00 0.42 H new ATOM 0 HA ARG A 31 -7.525 -7.209 -8.049 1.00 0.45 H new ATOM 0 HB2 ARG A 31 -8.207 -9.311 -9.199 1.00 0.57 H new ATOM 0 HB3 ARG A 31 -7.457 -9.620 -7.646 1.00 0.57 H new ATOM 0 HG2 ARG A 31 -9.232 -11.026 -7.415 1.00 0.83 H new ATOM 0 HG3 ARG A 31 -10.007 -9.573 -6.818 1.00 0.83 H new ATOM 0 HD2 ARG A 31 -11.096 -9.170 -8.930 1.00 1.22 H new ATOM 0 HD3 ARG A 31 -10.118 -10.375 -9.744 1.00 1.22 H new ATOM 0 HE ARG A 31 -11.453 -11.737 -7.671 1.00 1.73 H new ATOM 0 HH11 ARG A 31 -12.317 -9.875 -10.550 1.00 2.65 H new ATOM 0 HH12 ARG A 31 -13.804 -10.789 -10.829 1.00 2.65 H new ATOM 0 HH21 ARG A 31 -13.338 -12.909 -8.049 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -14.379 -12.500 -9.417 1.00 3.18 H new ATOM 512 N PHE A 32 -10.796 -7.089 -8.042 1.00 0.45 N ATOM 513 CA PHE A 32 -11.947 -6.578 -8.775 1.00 0.49 C ATOM 514 C PHE A 32 -12.147 -5.102 -8.448 1.00 0.43 C ATOM 515 O PHE A 32 -12.891 -4.388 -9.122 1.00 0.49 O ATOM 516 CB PHE A 32 -13.194 -7.432 -8.469 1.00 0.59 C ATOM 517 CG PHE A 32 -14.194 -6.828 -7.524 1.00 0.98 C ATOM 518 CD1 PHE A 32 -15.164 -5.971 -8.000 1.00 1.54 C ATOM 519 CD2 PHE A 32 -14.148 -7.093 -6.165 1.00 1.11 C ATOM 520 CE1 PHE A 32 -16.077 -5.395 -7.150 1.00 2.18 C ATOM 521 CE2 PHE A 32 -15.060 -6.515 -5.304 1.00 1.68 C ATOM 522 CZ PHE A 32 -16.053 -5.758 -5.764 1.00 2.21 C ATOM 0 H PHE A 32 -11.006 -7.442 -7.108 1.00 0.45 H new ATOM 0 HA PHE A 32 -11.771 -6.652 -9.848 1.00 0.49 H new ATOM 0 HB2 PHE A 32 -13.699 -7.650 -9.410 1.00 0.59 H new ATOM 0 HB3 PHE A 32 -12.864 -8.385 -8.056 1.00 0.59 H new ATOM 0 HD1 PHE A 32 -15.207 -5.749 -9.056 1.00 1.54 H new ATOM 0 HD2 PHE A 32 -13.392 -7.758 -5.775 1.00 1.11 H new ATOM 0 HE1 PHE A 32 -16.799 -4.682 -7.520 1.00 2.18 H new ATOM 0 HE2 PHE A 32 -14.966 -6.680 -4.241 1.00 1.68 H new ATOM 0 HZ PHE A 32 -16.834 -5.420 -5.099 1.00 2.21 H new ATOM 532 N LEU A 33 -11.445 -4.654 -7.418 1.00 0.41 N ATOM 533 CA LEU A 33 -11.432 -3.252 -7.042 1.00 0.39 C ATOM 534 C LEU A 33 -10.381 -2.497 -7.855 1.00 0.30 C ATOM 535 O LEU A 33 -10.385 -1.266 -7.894 1.00 0.31 O ATOM 536 CB LEU A 33 -11.154 -3.113 -5.540 1.00 0.47 C ATOM 537 CG LEU A 33 -12.247 -3.653 -4.617 1.00 0.63 C ATOM 538 CD1 LEU A 33 -11.811 -3.546 -3.164 1.00 0.74 C ATOM 539 CD2 LEU A 33 -13.552 -2.900 -4.844 1.00 0.72 C ATOM 0 H LEU A 33 -10.871 -5.251 -6.823 1.00 0.41 H new ATOM 0 HA LEU A 33 -12.409 -2.819 -7.256 1.00 0.39 H new ATOM 0 HB2 LEU A 33 -10.222 -3.629 -5.311 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -10.999 -2.058 -5.313 1.00 0.47 H new ATOM 0 HG LEU A 33 -12.413 -4.705 -4.849 1.00 0.63 H new ATOM 0 HD11 LEU A 33 -12.599 -3.934 -2.518 1.00 0.74 H new ATOM 0 HD12 LEU A 33 -10.900 -4.126 -3.014 1.00 0.74 H new ATOM 0 HD13 LEU A 33 -11.621 -2.501 -2.917 1.00 0.74 H new ATOM 0 HD21 LEU A 33 -14.321 -3.296 -4.180 1.00 0.72 H new ATOM 0 HD22 LEU A 33 -13.402 -1.841 -4.635 1.00 0.72 H new ATOM 0 HD23 LEU A 33 -13.868 -3.024 -5.880 1.00 0.72 H new ATOM 551 N GLU A 34 -9.481 -3.256 -8.496 1.00 0.27 N ATOM 552 CA GLU A 34 -8.457 -2.703 -9.387 1.00 0.25 C ATOM 553 C GLU A 34 -8.980 -1.586 -10.309 1.00 0.25 C ATOM 554 O GLU A 34 -8.396 -0.505 -10.335 1.00 0.26 O ATOM 555 CB GLU A 34 -7.847 -3.815 -10.247 1.00 0.28 C ATOM 556 CG GLU A 34 -6.497 -4.310 -9.767 1.00 0.35 C ATOM 557 CD GLU A 34 -5.734 -5.018 -10.866 1.00 0.48 C ATOM 558 OE1 GLU A 34 -4.970 -4.352 -11.593 1.00 0.71 O ATOM 559 OE2 GLU A 34 -5.878 -6.253 -10.991 1.00 0.65 O ATOM 0 H GLU A 34 -9.444 -4.272 -8.410 1.00 0.27 H new ATOM 0 HA GLU A 34 -7.703 -2.258 -8.737 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -8.539 -4.656 -10.276 1.00 0.28 H new ATOM 0 HB3 GLU A 34 -7.744 -3.452 -11.270 1.00 0.28 H new ATOM 0 HG2 GLU A 34 -5.910 -3.467 -9.402 1.00 0.35 H new ATOM 0 HG3 GLU A 34 -6.637 -4.989 -8.926 1.00 0.35 H new ATOM 566 N PRO A 35 -10.072 -1.807 -11.083 1.00 0.28 N ATOM 567 CA PRO A 35 -10.592 -0.786 -12.010 1.00 0.33 C ATOM 568 C PRO A 35 -11.051 0.496 -11.309 1.00 0.32 C ATOM 569 O PRO A 35 -11.090 1.563 -11.919 1.00 0.36 O ATOM 570 CB PRO A 35 -11.779 -1.476 -12.695 1.00 0.41 C ATOM 571 CG PRO A 35 -12.140 -2.611 -11.802 1.00 0.54 C ATOM 572 CD PRO A 35 -10.862 -3.051 -11.153 1.00 0.30 C ATOM 0 HA PRO A 35 -9.815 -0.457 -12.700 1.00 0.33 H new ATOM 0 HB2 PRO A 35 -12.617 -0.789 -12.817 1.00 0.41 H new ATOM 0 HB3 PRO A 35 -11.508 -1.829 -13.690 1.00 0.41 H new ATOM 0 HG2 PRO A 35 -12.871 -2.302 -11.054 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -12.590 -3.426 -12.369 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -11.038 -3.472 -10.163 1.00 0.30 H new ATOM 0 HD3 PRO A 35 -10.355 -3.817 -11.740 1.00 0.30 H new ATOM 580 N PHE A 36 -11.400 0.390 -10.033 1.00 0.32 N ATOM 581 CA PHE A 36 -11.822 1.554 -9.261 1.00 0.36 C ATOM 582 C PHE A 36 -10.605 2.282 -8.704 1.00 0.34 C ATOM 583 O PHE A 36 -10.529 3.509 -8.731 1.00 0.37 O ATOM 584 CB PHE A 36 -12.750 1.129 -8.116 1.00 0.44 C ATOM 585 CG PHE A 36 -13.224 2.273 -7.260 1.00 0.51 C ATOM 586 CD1 PHE A 36 -14.271 3.083 -7.675 1.00 0.58 C ATOM 587 CD2 PHE A 36 -12.619 2.540 -6.042 1.00 0.57 C ATOM 588 CE1 PHE A 36 -14.706 4.135 -6.890 1.00 0.67 C ATOM 589 CE2 PHE A 36 -13.049 3.590 -5.253 1.00 0.67 C ATOM 590 CZ PHE A 36 -14.107 4.382 -5.677 1.00 0.72 C ATOM 0 H PHE A 36 -11.400 -0.487 -9.511 1.00 0.32 H new ATOM 0 HA PHE A 36 -12.368 2.229 -9.920 1.00 0.36 H new ATOM 0 HB2 PHE A 36 -13.617 0.617 -8.534 1.00 0.44 H new ATOM 0 HB3 PHE A 36 -12.228 0.409 -7.486 1.00 0.44 H new ATOM 0 HD1 PHE A 36 -14.752 2.890 -8.622 1.00 0.58 H new ATOM 0 HD2 PHE A 36 -11.801 1.920 -5.705 1.00 0.57 H new ATOM 0 HE1 PHE A 36 -15.516 4.763 -7.230 1.00 0.67 H new ATOM 0 HE2 PHE A 36 -12.564 3.794 -4.310 1.00 0.67 H new ATOM 0 HZ PHE A 36 -14.459 5.191 -5.055 1.00 0.72 H new ATOM 600 N LEU A 37 -9.654 1.503 -8.213 1.00 0.32 N ATOM 601 CA LEU A 37 -8.439 2.033 -7.607 1.00 0.34 C ATOM 602 C LEU A 37 -7.513 2.617 -8.662 1.00 0.30 C ATOM 603 O LEU A 37 -6.665 3.457 -8.367 1.00 0.31 O ATOM 604 CB LEU A 37 -7.727 0.919 -6.847 1.00 0.39 C ATOM 605 CG LEU A 37 -8.514 0.356 -5.671 1.00 0.47 C ATOM 606 CD1 LEU A 37 -8.201 -1.109 -5.484 1.00 1.04 C ATOM 607 CD2 LEU A 37 -8.190 1.119 -4.405 1.00 0.90 C ATOM 0 H LEU A 37 -9.701 0.484 -8.223 1.00 0.32 H new ATOM 0 HA LEU A 37 -8.712 2.833 -6.918 1.00 0.34 H new ATOM 0 HB2 LEU A 37 -7.504 0.108 -7.540 1.00 0.39 H new ATOM 0 HB3 LEU A 37 -6.773 1.298 -6.482 1.00 0.39 H new ATOM 0 HG LEU A 37 -9.577 0.465 -5.884 1.00 0.47 H new ATOM 0 HD11 LEU A 37 -8.771 -1.498 -4.640 1.00 1.04 H new ATOM 0 HD12 LEU A 37 -8.471 -1.657 -6.387 1.00 1.04 H new ATOM 0 HD13 LEU A 37 -7.135 -1.232 -5.290 1.00 1.04 H new ATOM 0 HD21 LEU A 37 -8.761 0.704 -3.574 1.00 0.90 H new ATOM 0 HD22 LEU A 37 -7.124 1.034 -4.192 1.00 0.90 H new ATOM 0 HD23 LEU A 37 -8.451 2.169 -4.536 1.00 0.90 H new ATOM 619 N ARG A 38 -7.673 2.154 -9.888 1.00 0.30 N ATOM 620 CA ARG A 38 -6.872 2.632 -10.995 1.00 0.34 C ATOM 621 C ARG A 38 -7.200 4.087 -11.303 1.00 0.34 C ATOM 622 O ARG A 38 -8.203 4.395 -11.951 1.00 0.43 O ATOM 623 CB ARG A 38 -7.101 1.745 -12.215 1.00 0.45 C ATOM 624 CG ARG A 38 -6.268 2.118 -13.424 1.00 0.56 C ATOM 625 CD ARG A 38 -6.012 0.895 -14.282 1.00 0.90 C ATOM 626 NE ARG A 38 -5.073 -0.024 -13.635 1.00 1.91 N ATOM 627 CZ ARG A 38 -5.357 -1.277 -13.279 1.00 2.44 C ATOM 628 NH1 ARG A 38 -6.563 -1.785 -13.495 1.00 2.16 N ATOM 629 NH2 ARG A 38 -4.424 -2.024 -12.704 1.00 3.59 N ATOM 0 H ARG A 38 -8.357 1.441 -10.141 1.00 0.30 H new ATOM 0 HA ARG A 38 -5.818 2.582 -10.723 1.00 0.34 H new ATOM 0 HB2 ARG A 38 -6.884 0.712 -11.944 1.00 0.45 H new ATOM 0 HB3 ARG A 38 -8.155 1.788 -12.488 1.00 0.45 H new ATOM 0 HG2 ARG A 38 -6.784 2.880 -14.009 1.00 0.56 H new ATOM 0 HG3 ARG A 38 -5.320 2.550 -13.102 1.00 0.56 H new ATOM 0 HD2 ARG A 38 -6.953 0.380 -14.474 1.00 0.90 H new ATOM 0 HD3 ARG A 38 -5.614 1.204 -15.249 1.00 0.90 H new ATOM 0 HE ARG A 38 -4.132 0.320 -13.443 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -7.284 -1.216 -13.938 1.00 2.16 H new ATOM 0 HH12 ARG A 38 -6.769 -2.745 -13.218 1.00 2.16 H new ATOM 0 HH21 ARG A 38 -3.494 -1.639 -12.536 1.00 3.59 H new ATOM 0 HH22 ARG A 38 -4.636 -2.983 -12.430 1.00 3.59 H new ATOM 643 N GLY A 39 -6.353 4.973 -10.811 1.00 0.29 N ATOM 644 CA GLY A 39 -6.542 6.390 -11.022 1.00 0.29 C ATOM 645 C GLY A 39 -7.024 7.117 -9.778 1.00 0.28 C ATOM 646 O GLY A 39 -7.671 8.157 -9.886 1.00 0.38 O ATOM 0 H GLY A 39 -5.528 4.732 -10.262 1.00 0.29 H new ATOM 0 HA2 GLY A 39 -5.602 6.831 -11.352 1.00 0.29 H new ATOM 0 HA3 GLY A 39 -7.263 6.539 -11.825 1.00 0.29 H new ATOM 650 N ILE A 40 -6.710 6.598 -8.592 1.00 0.26 N ATOM 651 CA ILE A 40 -7.126 7.278 -7.359 1.00 0.25 C ATOM 652 C ILE A 40 -5.964 8.044 -6.740 1.00 0.26 C ATOM 653 O ILE A 40 -4.806 7.673 -6.905 1.00 0.32 O ATOM 654 CB ILE A 40 -7.712 6.323 -6.281 1.00 0.23 C ATOM 655 CG1 ILE A 40 -6.686 5.268 -5.865 1.00 0.21 C ATOM 656 CG2 ILE A 40 -8.995 5.664 -6.768 1.00 0.24 C ATOM 657 CD1 ILE A 40 -7.103 4.445 -4.660 1.00 0.23 C ATOM 0 H ILE A 40 -6.185 5.735 -8.455 1.00 0.26 H new ATOM 0 HA ILE A 40 -7.919 7.959 -7.667 1.00 0.25 H new ATOM 0 HB ILE A 40 -7.954 6.924 -5.405 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -6.507 4.598 -6.706 1.00 0.21 H new ATOM 0 HG13 ILE A 40 -5.740 5.763 -5.645 1.00 0.21 H new ATOM 0 HG21 ILE A 40 -9.381 5.002 -5.993 1.00 0.24 H new ATOM 0 HG22 ILE A 40 -9.736 6.431 -6.992 1.00 0.24 H new ATOM 0 HG23 ILE A 40 -8.788 5.086 -7.669 1.00 0.24 H new ATOM 0 HD11 ILE A 40 -6.323 3.720 -4.427 1.00 0.23 H new ATOM 0 HD12 ILE A 40 -7.253 5.103 -3.804 1.00 0.23 H new ATOM 0 HD13 ILE A 40 -8.032 3.920 -4.882 1.00 0.23 H new ATOM 669 N ASN A 41 -6.283 9.122 -6.043 1.00 0.31 N ATOM 670 CA ASN A 41 -5.281 9.877 -5.303 1.00 0.33 C ATOM 671 C ASN A 41 -5.429 9.597 -3.812 1.00 0.32 C ATOM 672 O ASN A 41 -6.499 9.787 -3.237 1.00 0.40 O ATOM 673 CB ASN A 41 -5.389 11.383 -5.594 1.00 0.43 C ATOM 674 CG ASN A 41 -6.784 11.949 -5.375 1.00 1.11 C ATOM 675 OD1 ASN A 41 -7.623 11.925 -6.277 1.00 1.99 O ATOM 676 ND2 ASN A 41 -7.034 12.476 -4.186 1.00 1.65 N ATOM 0 H ASN A 41 -7.229 9.496 -5.973 1.00 0.31 H new ATOM 0 HA ASN A 41 -4.291 9.556 -5.628 1.00 0.33 H new ATOM 0 HB2 ASN A 41 -4.685 11.919 -4.957 1.00 0.43 H new ATOM 0 HB3 ASN A 41 -5.089 11.567 -6.626 1.00 0.43 H new ATOM 0 HD21 ASN A 41 -7.949 12.882 -3.990 1.00 1.65 H new ATOM 0 HD22 ASN A 41 -6.312 12.476 -3.466 1.00 1.65 H new ATOM 683 N VAL A 42 -4.359 9.124 -3.190 1.00 0.29 N ATOM 684 CA VAL A 42 -4.422 8.713 -1.795 1.00 0.31 C ATOM 685 C VAL A 42 -3.332 9.389 -0.978 1.00 0.23 C ATOM 686 O VAL A 42 -2.203 9.536 -1.438 1.00 0.23 O ATOM 687 CB VAL A 42 -4.293 7.176 -1.662 1.00 0.39 C ATOM 688 CG1 VAL A 42 -5.507 6.480 -2.256 1.00 0.66 C ATOM 689 CG2 VAL A 42 -3.019 6.688 -2.331 1.00 0.93 C ATOM 0 H VAL A 42 -3.443 9.016 -3.625 1.00 0.29 H new ATOM 0 HA VAL A 42 -5.394 9.020 -1.409 1.00 0.31 H new ATOM 0 HB VAL A 42 -4.243 6.929 -0.602 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -5.395 5.401 -2.152 1.00 0.66 H new ATOM 0 HG12 VAL A 42 -6.405 6.804 -1.731 1.00 0.66 H new ATOM 0 HG13 VAL A 42 -5.592 6.735 -3.312 1.00 0.66 H new ATOM 0 HG21 VAL A 42 -2.945 5.605 -2.227 1.00 0.93 H new ATOM 0 HG22 VAL A 42 -3.040 6.951 -3.389 1.00 0.93 H new ATOM 0 HG23 VAL A 42 -2.157 7.157 -1.858 1.00 0.93 H new ATOM 699 N VAL A 43 -3.678 9.817 0.225 1.00 0.21 N ATOM 700 CA VAL A 43 -2.709 10.438 1.107 1.00 0.19 C ATOM 701 C VAL A 43 -2.081 9.386 2.007 1.00 0.21 C ATOM 702 O VAL A 43 -2.702 8.914 2.959 1.00 0.24 O ATOM 703 CB VAL A 43 -3.354 11.534 1.981 1.00 0.22 C ATOM 704 CG1 VAL A 43 -2.297 12.249 2.809 1.00 0.22 C ATOM 705 CG2 VAL A 43 -4.129 12.524 1.122 1.00 0.25 C ATOM 0 H VAL A 43 -4.620 9.745 0.610 1.00 0.21 H new ATOM 0 HA VAL A 43 -1.946 10.903 0.483 1.00 0.19 H new ATOM 0 HB VAL A 43 -4.057 11.057 2.664 1.00 0.22 H new ATOM 0 HG11 VAL A 43 -2.771 13.018 3.419 1.00 0.22 H new ATOM 0 HG12 VAL A 43 -1.795 11.531 3.457 1.00 0.22 H new ATOM 0 HG13 VAL A 43 -1.566 12.711 2.145 1.00 0.22 H new ATOM 0 HG21 VAL A 43 -4.575 13.287 1.759 1.00 0.25 H new ATOM 0 HG22 VAL A 43 -3.452 12.996 0.410 1.00 0.25 H new ATOM 0 HG23 VAL A 43 -4.916 11.998 0.581 1.00 0.25 H new ATOM 715 N TYR A 44 -0.855 9.009 1.702 1.00 0.22 N ATOM 716 CA TYR A 44 -0.166 7.998 2.481 1.00 0.26 C ATOM 717 C TYR A 44 0.408 8.584 3.751 1.00 0.31 C ATOM 718 O TYR A 44 1.117 9.591 3.719 1.00 0.37 O ATOM 719 CB TYR A 44 0.943 7.329 1.666 1.00 0.31 C ATOM 720 CG TYR A 44 0.461 6.136 0.882 1.00 0.52 C ATOM 721 CD1 TYR A 44 0.449 4.871 1.444 1.00 0.36 C ATOM 722 CD2 TYR A 44 0.035 6.277 -0.432 1.00 1.24 C ATOM 723 CE1 TYR A 44 0.026 3.775 0.720 1.00 0.71 C ATOM 724 CE2 TYR A 44 -0.384 5.186 -1.165 1.00 1.69 C ATOM 725 CZ TYR A 44 -0.466 3.941 -0.540 1.00 1.41 C ATOM 726 OH TYR A 44 -0.788 2.843 -1.309 1.00 1.85 O ATOM 0 H TYR A 44 -0.316 9.386 0.922 1.00 0.22 H new ATOM 0 HA TYR A 44 -0.902 7.241 2.750 1.00 0.26 H new ATOM 0 HB2 TYR A 44 1.372 8.059 0.979 1.00 0.31 H new ATOM 0 HB3 TYR A 44 1.742 7.016 2.338 1.00 0.31 H new ATOM 0 HD1 TYR A 44 0.776 4.740 2.465 1.00 0.36 H new ATOM 0 HD2 TYR A 44 0.032 7.256 -0.887 1.00 1.24 H new ATOM 0 HE1 TYR A 44 0.085 2.787 1.151 1.00 0.71 H new ATOM 0 HE2 TYR A 44 -0.645 5.294 -2.207 1.00 1.69 H new ATOM 0 HH TYR A 44 -1.080 3.139 -2.196 1.00 1.85 H new ATOM 736 N THR A 45 0.074 7.962 4.865 1.00 0.32 N ATOM 737 CA THR A 45 0.672 8.307 6.133 1.00 0.39 C ATOM 738 C THR A 45 1.828 7.350 6.390 1.00 0.41 C ATOM 739 O THR A 45 1.621 6.193 6.765 1.00 0.44 O ATOM 740 CB THR A 45 -0.355 8.211 7.276 1.00 0.47 C ATOM 741 OG1 THR A 45 -1.570 8.866 6.885 1.00 1.27 O ATOM 742 CG2 THR A 45 0.182 8.850 8.549 1.00 0.96 C ATOM 0 H THR A 45 -0.614 7.210 4.914 1.00 0.32 H new ATOM 0 HA THR A 45 1.028 9.336 6.097 1.00 0.39 H new ATOM 0 HB THR A 45 -0.549 7.157 7.477 1.00 0.47 H new ATOM 0 HG1 THR A 45 -2.224 8.803 7.612 1.00 1.27 H new ATOM 0 HG21 THR A 45 -0.564 8.768 9.340 1.00 0.96 H new ATOM 0 HG22 THR A 45 1.094 8.339 8.856 1.00 0.96 H new ATOM 0 HG23 THR A 45 0.400 9.902 8.364 1.00 0.96 H new ATOM 750 N PRO A 46 3.060 7.818 6.184 1.00 0.45 N ATOM 751 CA PRO A 46 4.233 6.975 6.236 1.00 0.51 C ATOM 752 C PRO A 46 4.793 6.862 7.643 1.00 0.52 C ATOM 753 O PRO A 46 4.870 7.855 8.370 1.00 0.57 O ATOM 754 CB PRO A 46 5.225 7.694 5.316 1.00 0.56 C ATOM 755 CG PRO A 46 4.729 9.103 5.170 1.00 0.58 C ATOM 756 CD PRO A 46 3.417 9.211 5.905 1.00 0.51 C ATOM 0 HA PRO A 46 4.019 5.950 5.932 1.00 0.51 H new ATOM 0 HB2 PRO A 46 6.229 7.678 5.741 1.00 0.56 H new ATOM 0 HB3 PRO A 46 5.282 7.200 4.346 1.00 0.56 H new ATOM 0 HG2 PRO A 46 5.454 9.807 5.578 1.00 0.58 H new ATOM 0 HG3 PRO A 46 4.598 9.354 4.117 1.00 0.58 H new ATOM 0 HD2 PRO A 46 3.519 9.790 6.823 1.00 0.51 H new ATOM 0 HD3 PRO A 46 2.658 9.705 5.299 1.00 0.51 H new ATOM 764 N PRO A 47 5.171 5.642 8.050 1.00 0.60 N ATOM 765 CA PRO A 47 5.852 5.420 9.320 1.00 0.68 C ATOM 766 C PRO A 47 7.043 6.355 9.444 1.00 0.62 C ATOM 767 O PRO A 47 7.853 6.450 8.520 1.00 0.56 O ATOM 768 CB PRO A 47 6.315 3.964 9.235 1.00 0.82 C ATOM 769 CG PRO A 47 5.384 3.320 8.265 1.00 0.86 C ATOM 770 CD PRO A 47 4.962 4.394 7.300 1.00 0.73 C ATOM 0 HA PRO A 47 5.217 5.608 10.186 1.00 0.68 H new ATOM 0 HB2 PRO A 47 7.348 3.898 8.894 1.00 0.82 H new ATOM 0 HB3 PRO A 47 6.269 3.477 10.209 1.00 0.82 H new ATOM 0 HG2 PRO A 47 5.875 2.500 7.742 1.00 0.86 H new ATOM 0 HG3 PRO A 47 4.520 2.898 8.778 1.00 0.86 H new ATOM 0 HD2 PRO A 47 5.560 4.370 6.389 1.00 0.73 H new ATOM 0 HD3 PRO A 47 3.920 4.277 7.001 1.00 0.73 H new ATOM 778 N GLN A 48 7.135 7.054 10.570 1.00 0.73 N ATOM 779 CA GLN A 48 8.153 8.088 10.775 1.00 0.79 C ATOM 780 C GLN A 48 9.576 7.548 10.611 1.00 0.67 C ATOM 781 O GLN A 48 10.532 8.315 10.511 1.00 0.73 O ATOM 782 CB GLN A 48 7.979 8.730 12.152 1.00 1.03 C ATOM 783 CG GLN A 48 8.014 7.739 13.300 1.00 0.91 C ATOM 784 CD GLN A 48 7.675 8.390 14.621 1.00 1.24 C ATOM 785 OE1 GLN A 48 6.511 8.439 15.023 1.00 1.91 O ATOM 786 NE2 GLN A 48 8.684 8.901 15.303 1.00 1.84 N ATOM 0 H GLN A 48 6.510 6.924 11.366 1.00 0.73 H new ATOM 0 HA GLN A 48 8.010 8.843 10.002 1.00 0.79 H new ATOM 0 HB2 GLN A 48 8.766 9.470 12.299 1.00 1.03 H new ATOM 0 HB3 GLN A 48 7.030 9.265 12.175 1.00 1.03 H new ATOM 0 HG2 GLN A 48 7.310 6.931 13.103 1.00 0.91 H new ATOM 0 HG3 GLN A 48 9.005 7.290 13.361 1.00 0.91 H new ATOM 0 HE21 GLN A 48 9.633 8.839 14.934 1.00 1.84 H new ATOM 0 HE22 GLN A 48 8.514 9.358 16.199 1.00 1.84 H new ATOM 795 N SER A 49 9.704 6.229 10.566 1.00 0.60 N ATOM 796 CA SER A 49 10.976 5.571 10.313 1.00 0.59 C ATOM 797 C SER A 49 11.506 5.918 8.918 1.00 0.62 C ATOM 798 O SER A 49 12.691 5.747 8.631 1.00 0.71 O ATOM 799 CB SER A 49 10.772 4.065 10.427 1.00 0.71 C ATOM 800 OG SER A 49 9.737 3.780 11.354 1.00 1.55 O ATOM 0 H SER A 49 8.926 5.584 10.704 1.00 0.60 H new ATOM 0 HA SER A 49 11.708 5.913 11.044 1.00 0.59 H new ATOM 0 HB2 SER A 49 10.521 3.650 9.451 1.00 0.71 H new ATOM 0 HB3 SER A 49 11.698 3.588 10.747 1.00 0.71 H new ATOM 0 HG SER A 49 9.575 2.814 11.377 1.00 1.55 H new ATOM 806 N PHE A 50 10.616 6.399 8.051 1.00 0.62 N ATOM 807 CA PHE A 50 10.985 6.762 6.688 1.00 0.66 C ATOM 808 C PHE A 50 11.450 8.210 6.604 1.00 0.67 C ATOM 809 O PHE A 50 11.919 8.659 5.556 1.00 0.79 O ATOM 810 CB PHE A 50 9.808 6.551 5.732 1.00 0.69 C ATOM 811 CG PHE A 50 9.518 5.111 5.434 1.00 0.71 C ATOM 812 CD1 PHE A 50 10.195 4.459 4.420 1.00 0.91 C ATOM 813 CD2 PHE A 50 8.571 4.409 6.163 1.00 0.80 C ATOM 814 CE1 PHE A 50 9.935 3.133 4.136 1.00 1.01 C ATOM 815 CE2 PHE A 50 8.308 3.083 5.885 1.00 0.89 C ATOM 816 CZ PHE A 50 8.990 2.445 4.870 1.00 0.93 C ATOM 0 H PHE A 50 9.631 6.546 8.272 1.00 0.62 H new ATOM 0 HA PHE A 50 11.810 6.113 6.394 1.00 0.66 H new ATOM 0 HB2 PHE A 50 8.917 7.009 6.161 1.00 0.69 H new ATOM 0 HB3 PHE A 50 10.015 7.071 4.797 1.00 0.69 H new ATOM 0 HD1 PHE A 50 10.936 4.993 3.843 1.00 0.91 H new ATOM 0 HD2 PHE A 50 8.033 4.905 6.957 1.00 0.80 H new ATOM 0 HE1 PHE A 50 10.470 2.635 3.341 1.00 1.01 H new ATOM 0 HE2 PHE A 50 7.569 2.546 6.461 1.00 0.89 H new ATOM 0 HZ PHE A 50 8.785 1.408 4.650 1.00 0.93 H new ATOM 826 N GLN A 51 11.307 8.938 7.716 1.00 0.62 N ATOM 827 CA GLN A 51 11.712 10.341 7.797 1.00 0.70 C ATOM 828 C GLN A 51 10.996 11.181 6.737 1.00 0.62 C ATOM 829 O GLN A 51 11.530 12.178 6.249 1.00 0.72 O ATOM 830 CB GLN A 51 13.228 10.447 7.635 1.00 0.93 C ATOM 831 CG GLN A 51 13.994 9.552 8.592 1.00 1.08 C ATOM 832 CD GLN A 51 15.485 9.542 8.315 1.00 1.45 C ATOM 833 OE1 GLN A 51 16.297 9.405 9.228 1.00 1.53 O ATOM 834 NE2 GLN A 51 15.854 9.662 7.049 1.00 2.20 N ATOM 0 H GLN A 51 10.909 8.571 8.581 1.00 0.62 H new ATOM 0 HA GLN A 51 11.429 10.731 8.775 1.00 0.70 H new ATOM 0 HB2 GLN A 51 13.497 10.188 6.611 1.00 0.93 H new ATOM 0 HB3 GLN A 51 13.533 11.482 7.792 1.00 0.93 H new ATOM 0 HG2 GLN A 51 13.821 9.887 9.615 1.00 1.08 H new ATOM 0 HG3 GLN A 51 13.608 8.535 8.520 1.00 1.08 H new ATOM 0 HE21 GLN A 51 15.149 9.774 6.321 1.00 2.20 H new ATOM 0 HE22 GLN A 51 16.843 9.642 6.802 1.00 2.20 H new ATOM 843 N SER A 52 9.784 10.767 6.394 1.00 0.51 N ATOM 844 CA SER A 52 9.005 11.414 5.349 1.00 0.50 C ATOM 845 C SER A 52 7.666 11.902 5.902 1.00 0.48 C ATOM 846 O SER A 52 7.225 11.464 6.969 1.00 0.54 O ATOM 847 CB SER A 52 8.769 10.426 4.201 1.00 0.53 C ATOM 848 OG SER A 52 9.996 9.859 3.759 1.00 1.18 O ATOM 0 H SER A 52 9.314 9.974 6.832 1.00 0.51 H new ATOM 0 HA SER A 52 9.559 12.276 4.978 1.00 0.50 H new ATOM 0 HB2 SER A 52 8.096 9.634 4.530 1.00 0.53 H new ATOM 0 HB3 SER A 52 8.280 10.936 3.371 1.00 0.53 H new ATOM 0 HG SER A 52 10.417 9.374 4.499 1.00 1.18 H new ATOM 854 N ALA A 53 7.027 12.806 5.174 1.00 0.54 N ATOM 855 CA ALA A 53 5.747 13.366 5.586 1.00 0.60 C ATOM 856 C ALA A 53 4.624 12.784 4.730 1.00 0.51 C ATOM 857 O ALA A 53 4.899 12.202 3.681 1.00 0.50 O ATOM 858 CB ALA A 53 5.783 14.887 5.473 1.00 0.80 C ATOM 0 H ALA A 53 7.377 13.170 4.288 1.00 0.54 H new ATOM 0 HA ALA A 53 5.557 13.103 6.627 1.00 0.60 H new ATOM 0 HB1 ALA A 53 4.822 15.298 5.783 1.00 0.80 H new ATOM 0 HB2 ALA A 53 6.570 15.281 6.116 1.00 0.80 H new ATOM 0 HB3 ALA A 53 5.982 15.170 4.440 1.00 0.80 H new ATOM 864 N PRO A 54 3.351 12.913 5.164 1.00 0.50 N ATOM 865 CA PRO A 54 2.204 12.432 4.385 1.00 0.43 C ATOM 866 C PRO A 54 2.258 12.904 2.936 1.00 0.38 C ATOM 867 O PRO A 54 2.472 14.088 2.657 1.00 0.41 O ATOM 868 CB PRO A 54 1.005 13.045 5.107 1.00 0.47 C ATOM 869 CG PRO A 54 1.458 13.213 6.515 1.00 0.63 C ATOM 870 CD PRO A 54 2.932 13.514 6.448 1.00 0.57 C ATOM 0 HA PRO A 54 2.170 11.344 4.329 1.00 0.43 H new ATOM 0 HB2 PRO A 54 0.723 14.001 4.665 1.00 0.47 H new ATOM 0 HB3 PRO A 54 0.132 12.395 5.047 1.00 0.47 H new ATOM 0 HG2 PRO A 54 0.917 14.023 7.004 1.00 0.63 H new ATOM 0 HG3 PRO A 54 1.271 12.309 7.095 1.00 0.63 H new ATOM 0 HD2 PRO A 54 3.124 14.587 6.470 1.00 0.57 H new ATOM 0 HD3 PRO A 54 3.469 13.077 7.290 1.00 0.57 H new ATOM 878 N ARG A 55 2.061 11.976 2.017 1.00 0.37 N ATOM 879 CA ARG A 55 2.249 12.256 0.605 1.00 0.40 C ATOM 880 C ARG A 55 1.120 11.661 -0.224 1.00 0.31 C ATOM 881 O ARG A 55 0.718 10.516 -0.014 1.00 0.31 O ATOM 882 CB ARG A 55 3.600 11.695 0.152 1.00 0.60 C ATOM 883 CG ARG A 55 3.952 11.999 -1.293 1.00 1.07 C ATOM 884 CD ARG A 55 5.334 11.471 -1.632 1.00 1.04 C ATOM 885 NE ARG A 55 5.682 11.670 -3.037 1.00 1.50 N ATOM 886 CZ ARG A 55 6.932 11.744 -3.490 1.00 1.68 C ATOM 887 NH1 ARG A 55 7.954 11.732 -2.638 1.00 1.47 N ATOM 888 NH2 ARG A 55 7.153 11.856 -4.796 1.00 2.51 N ATOM 0 H ARG A 55 1.770 11.020 2.224 1.00 0.37 H new ATOM 0 HA ARG A 55 2.237 13.336 0.455 1.00 0.40 H new ATOM 0 HB2 ARG A 55 4.382 12.098 0.796 1.00 0.60 H new ATOM 0 HB3 ARG A 55 3.597 10.614 0.293 1.00 0.60 H new ATOM 0 HG2 ARG A 55 3.213 11.548 -1.955 1.00 1.07 H new ATOM 0 HG3 ARG A 55 3.917 13.075 -1.462 1.00 1.07 H new ATOM 0 HD2 ARG A 55 6.073 11.969 -1.004 1.00 1.04 H new ATOM 0 HD3 ARG A 55 5.380 10.408 -1.397 1.00 1.04 H new ATOM 0 HE ARG A 55 4.922 11.758 -3.711 1.00 1.50 H new ATOM 0 HH11 ARG A 55 7.781 11.666 -1.635 1.00 1.47 H new ATOM 0 HH12 ARG A 55 8.910 11.789 -2.988 1.00 1.47 H new ATOM 0 HH21 ARG A 55 6.367 11.885 -5.446 1.00 2.51 H new ATOM 0 HH22 ARG A 55 8.108 11.913 -5.149 1.00 2.51 H new ATOM 902 N VAL A 56 0.607 12.448 -1.154 1.00 0.35 N ATOM 903 CA VAL A 56 -0.451 11.995 -2.041 1.00 0.35 C ATOM 904 C VAL A 56 0.148 11.209 -3.198 1.00 0.38 C ATOM 905 O VAL A 56 1.135 11.634 -3.798 1.00 0.53 O ATOM 906 CB VAL A 56 -1.270 13.181 -2.597 1.00 0.49 C ATOM 907 CG1 VAL A 56 -2.441 12.688 -3.434 1.00 1.13 C ATOM 908 CG2 VAL A 56 -1.758 14.073 -1.468 1.00 1.25 C ATOM 0 H VAL A 56 0.908 13.409 -1.315 1.00 0.35 H new ATOM 0 HA VAL A 56 -1.121 11.358 -1.464 1.00 0.35 H new ATOM 0 HB VAL A 56 -0.617 13.769 -3.241 1.00 0.49 H new ATOM 0 HG11 VAL A 56 -3.002 13.542 -3.814 1.00 1.13 H new ATOM 0 HG12 VAL A 56 -2.067 12.098 -4.271 1.00 1.13 H new ATOM 0 HG13 VAL A 56 -3.094 12.070 -2.818 1.00 1.13 H new ATOM 0 HG21 VAL A 56 -2.332 14.902 -1.882 1.00 1.25 H new ATOM 0 HG22 VAL A 56 -2.390 13.494 -0.794 1.00 1.25 H new ATOM 0 HG23 VAL A 56 -0.902 14.464 -0.917 1.00 1.25 H new ATOM 918 N TYR A 57 -0.439 10.066 -3.502 1.00 0.30 N ATOM 919 CA TYR A 57 0.050 9.223 -4.578 1.00 0.33 C ATOM 920 C TYR A 57 -1.066 8.935 -5.556 1.00 0.29 C ATOM 921 O TYR A 57 -2.222 8.781 -5.157 1.00 0.25 O ATOM 922 CB TYR A 57 0.598 7.900 -4.038 1.00 0.36 C ATOM 923 CG TYR A 57 1.973 7.996 -3.421 1.00 0.47 C ATOM 924 CD1 TYR A 57 3.113 7.882 -4.207 1.00 0.70 C ATOM 925 CD2 TYR A 57 2.133 8.183 -2.056 1.00 0.46 C ATOM 926 CE1 TYR A 57 4.374 7.947 -3.647 1.00 0.82 C ATOM 927 CE2 TYR A 57 3.390 8.254 -1.490 1.00 0.56 C ATOM 928 CZ TYR A 57 4.508 8.135 -2.288 1.00 0.70 C ATOM 929 OH TYR A 57 5.761 8.199 -1.727 1.00 0.83 O ATOM 0 H TYR A 57 -1.258 9.699 -3.017 1.00 0.30 H new ATOM 0 HA TYR A 57 0.857 9.757 -5.081 1.00 0.33 H new ATOM 0 HB2 TYR A 57 -0.095 7.512 -3.291 1.00 0.36 H new ATOM 0 HB3 TYR A 57 0.629 7.175 -4.851 1.00 0.36 H new ATOM 0 HD1 TYR A 57 3.012 7.740 -5.273 1.00 0.70 H new ATOM 0 HD2 TYR A 57 1.260 8.274 -1.426 1.00 0.46 H new ATOM 0 HE1 TYR A 57 5.250 7.851 -4.271 1.00 0.82 H new ATOM 0 HE2 TYR A 57 3.497 8.402 -0.426 1.00 0.56 H new ATOM 0 HH TYR A 57 5.843 7.514 -1.031 1.00 0.83 H new ATOM 939 N ARG A 58 -0.726 8.881 -6.833 1.00 0.36 N ATOM 940 CA ARG A 58 -1.678 8.470 -7.843 1.00 0.34 C ATOM 941 C ARG A 58 -1.577 6.966 -8.033 1.00 0.32 C ATOM 942 O ARG A 58 -0.646 6.461 -8.660 1.00 0.39 O ATOM 943 CB ARG A 58 -1.432 9.201 -9.165 1.00 0.41 C ATOM 944 CG ARG A 58 -2.459 8.885 -10.241 1.00 0.47 C ATOM 945 CD ARG A 58 -3.869 9.263 -9.804 1.00 1.05 C ATOM 946 NE ARG A 58 -4.000 10.689 -9.480 1.00 1.91 N ATOM 947 CZ ARG A 58 -5.171 11.324 -9.363 1.00 2.95 C ATOM 948 NH1 ARG A 58 -6.306 10.691 -9.635 1.00 3.38 N ATOM 949 NH2 ARG A 58 -5.203 12.599 -8.999 1.00 3.81 N ATOM 0 H ARG A 58 0.200 9.116 -7.191 1.00 0.36 H new ATOM 0 HA ARG A 58 -2.684 8.730 -7.512 1.00 0.34 H new ATOM 0 HB2 ARG A 58 -1.431 10.275 -8.981 1.00 0.41 H new ATOM 0 HB3 ARG A 58 -0.440 8.940 -9.535 1.00 0.41 H new ATOM 0 HG2 ARG A 58 -2.205 9.422 -11.155 1.00 0.47 H new ATOM 0 HG3 ARG A 58 -2.424 7.821 -10.476 1.00 0.47 H new ATOM 0 HD2 ARG A 58 -4.571 9.009 -10.598 1.00 1.05 H new ATOM 0 HD3 ARG A 58 -4.146 8.670 -8.932 1.00 1.05 H new ATOM 0 HE ARG A 58 -3.146 11.228 -9.335 1.00 1.91 H new ATOM 0 HH11 ARG A 58 -6.287 9.716 -9.935 1.00 3.38 H new ATOM 0 HH12 ARG A 58 -7.197 11.180 -9.544 1.00 3.38 H new ATOM 0 HH21 ARG A 58 -4.333 13.097 -8.808 1.00 3.81 H new ATOM 0 HH22 ARG A 58 -6.097 13.082 -8.910 1.00 3.81 H new ATOM 963 N VAL A 59 -2.522 6.262 -7.442 1.00 0.29 N ATOM 964 CA VAL A 59 -2.573 4.816 -7.515 1.00 0.27 C ATOM 965 C VAL A 59 -2.998 4.386 -8.911 1.00 0.27 C ATOM 966 O VAL A 59 -4.105 4.709 -9.357 1.00 0.29 O ATOM 967 CB VAL A 59 -3.547 4.263 -6.465 1.00 0.23 C ATOM 968 CG1 VAL A 59 -3.600 2.751 -6.508 1.00 0.25 C ATOM 969 CG2 VAL A 59 -3.144 4.743 -5.082 1.00 0.24 C ATOM 0 H VAL A 59 -3.277 6.678 -6.897 1.00 0.29 H new ATOM 0 HA VAL A 59 -1.581 4.415 -7.308 1.00 0.27 H new ATOM 0 HB VAL A 59 -4.545 4.635 -6.694 1.00 0.23 H new ATOM 0 HG11 VAL A 59 -4.298 2.390 -5.753 1.00 0.25 H new ATOM 0 HG12 VAL A 59 -3.932 2.426 -7.494 1.00 0.25 H new ATOM 0 HG13 VAL A 59 -2.608 2.346 -6.308 1.00 0.25 H new ATOM 0 HG21 VAL A 59 -3.840 4.347 -4.342 1.00 0.24 H new ATOM 0 HG22 VAL A 59 -2.136 4.395 -4.855 1.00 0.24 H new ATOM 0 HG23 VAL A 59 -3.167 5.832 -5.054 1.00 0.24 H new ATOM 979 N ASN A 60 -2.109 3.670 -9.591 1.00 0.28 N ATOM 980 CA ASN A 60 -2.308 3.303 -10.988 1.00 0.32 C ATOM 981 C ASN A 60 -2.893 1.901 -11.090 1.00 0.35 C ATOM 982 O ASN A 60 -3.343 1.476 -12.153 1.00 0.46 O ATOM 983 CB ASN A 60 -0.971 3.385 -11.741 1.00 0.39 C ATOM 984 CG ASN A 60 -1.128 3.354 -13.253 1.00 1.24 C ATOM 985 OD1 ASN A 60 -1.336 4.390 -13.886 1.00 1.61 O ATOM 986 ND2 ASN A 60 -0.997 2.177 -13.846 1.00 2.10 N ATOM 0 H ASN A 60 -1.234 3.329 -9.192 1.00 0.28 H new ATOM 0 HA ASN A 60 -3.012 4.000 -11.442 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -0.457 4.303 -11.455 1.00 0.39 H new ATOM 0 HB3 ASN A 60 -0.336 2.554 -11.432 1.00 0.39 H new ATOM 0 HD21 ASN A 60 -1.068 2.107 -14.861 1.00 2.10 H new ATOM 0 HD22 ASN A 60 -0.825 1.341 -13.288 1.00 2.10 H new ATOM 993 N GLY A 61 -2.874 1.179 -9.980 1.00 0.29 N ATOM 994 CA GLY A 61 -3.461 -0.142 -9.944 1.00 0.35 C ATOM 995 C GLY A 61 -3.080 -0.900 -8.694 1.00 0.30 C ATOM 996 O GLY A 61 -2.846 -0.299 -7.647 1.00 0.24 O ATOM 0 H GLY A 61 -2.460 1.487 -9.100 1.00 0.29 H new ATOM 0 HA2 GLY A 61 -4.546 -0.057 -9.999 1.00 0.35 H new ATOM 0 HA3 GLY A 61 -3.140 -0.705 -10.821 1.00 0.35 H new ATOM 1000 N LEU A 62 -3.005 -2.217 -8.804 1.00 0.40 N ATOM 1001 CA LEU A 62 -2.665 -3.067 -7.671 1.00 0.37 C ATOM 1002 C LEU A 62 -1.645 -4.113 -8.099 1.00 0.40 C ATOM 1003 O LEU A 62 -1.472 -4.368 -9.292 1.00 0.46 O ATOM 1004 CB LEU A 62 -3.922 -3.752 -7.133 1.00 0.36 C ATOM 1005 CG LEU A 62 -5.008 -2.805 -6.644 1.00 0.36 C ATOM 1006 CD1 LEU A 62 -6.244 -3.591 -6.289 1.00 0.41 C ATOM 1007 CD2 LEU A 62 -4.524 -2.006 -5.445 1.00 0.42 C ATOM 0 H LEU A 62 -3.176 -2.724 -9.672 1.00 0.40 H new ATOM 0 HA LEU A 62 -2.235 -2.451 -6.881 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -4.338 -4.384 -7.918 1.00 0.36 H new ATOM 0 HB3 LEU A 62 -3.637 -4.409 -6.312 1.00 0.36 H new ATOM 0 HG LEU A 62 -5.249 -2.103 -7.442 1.00 0.36 H new ATOM 0 HD11 LEU A 62 -7.020 -2.910 -5.939 1.00 0.41 H new ATOM 0 HD12 LEU A 62 -6.600 -4.126 -7.169 1.00 0.41 H new ATOM 0 HD13 LEU A 62 -6.007 -4.306 -5.501 1.00 0.41 H new ATOM 0 HD21 LEU A 62 -5.316 -1.335 -5.111 1.00 0.42 H new ATOM 0 HD22 LEU A 62 -4.261 -2.687 -4.636 1.00 0.42 H new ATOM 0 HD23 LEU A 62 -3.648 -1.422 -5.727 1.00 0.42 H new ATOM 1019 N SER A 63 -0.956 -4.702 -7.139 1.00 0.39 N ATOM 1020 CA SER A 63 0.013 -5.738 -7.441 1.00 0.45 C ATOM 1021 C SER A 63 -0.686 -7.081 -7.588 1.00 0.43 C ATOM 1022 O SER A 63 -1.726 -7.324 -6.977 1.00 0.51 O ATOM 1023 CB SER A 63 1.081 -5.825 -6.350 1.00 0.53 C ATOM 1024 OG SER A 63 2.110 -6.730 -6.727 1.00 1.45 O ATOM 0 H SER A 63 -1.049 -4.482 -6.147 1.00 0.39 H new ATOM 0 HA SER A 63 0.502 -5.481 -8.381 1.00 0.45 H new ATOM 0 HB2 SER A 63 1.506 -4.837 -6.170 1.00 0.53 H new ATOM 0 HB3 SER A 63 0.627 -6.152 -5.415 1.00 0.53 H new ATOM 0 HG SER A 63 2.977 -6.378 -6.437 1.00 1.45 H new ATOM 1030 N ARG A 64 -0.100 -7.942 -8.410 1.00 0.51 N ATOM 1031 CA ARG A 64 -0.639 -9.271 -8.656 1.00 0.56 C ATOM 1032 C ARG A 64 -0.295 -10.201 -7.489 1.00 0.47 C ATOM 1033 O ARG A 64 -0.770 -11.332 -7.417 1.00 0.54 O ATOM 1034 CB ARG A 64 -0.062 -9.815 -9.972 1.00 0.75 C ATOM 1035 CG ARG A 64 -0.603 -11.176 -10.389 1.00 1.20 C ATOM 1036 CD ARG A 64 -2.060 -11.104 -10.811 1.00 1.80 C ATOM 1037 NE ARG A 64 -2.607 -12.436 -11.076 1.00 2.42 N ATOM 1038 CZ ARG A 64 -3.736 -12.663 -11.752 1.00 3.15 C ATOM 1039 NH1 ARG A 64 -4.377 -11.666 -12.343 1.00 3.47 N ATOM 1040 NH2 ARG A 64 -4.200 -13.899 -11.877 1.00 3.98 N ATOM 0 H ARG A 64 0.758 -7.739 -8.922 1.00 0.51 H new ATOM 0 HA ARG A 64 -1.724 -9.217 -8.739 1.00 0.56 H new ATOM 0 HB2 ARG A 64 -0.268 -9.098 -10.767 1.00 0.75 H new ATOM 0 HB3 ARG A 64 1.022 -9.883 -9.877 1.00 0.75 H new ATOM 0 HG2 ARG A 64 -0.006 -11.567 -11.213 1.00 1.20 H new ATOM 0 HG3 ARG A 64 -0.500 -11.877 -9.560 1.00 1.20 H new ATOM 0 HD2 ARG A 64 -2.643 -10.619 -10.028 1.00 1.80 H new ATOM 0 HD3 ARG A 64 -2.151 -10.487 -11.705 1.00 1.80 H new ATOM 0 HE ARG A 64 -2.093 -13.242 -10.721 1.00 2.42 H new ATOM 0 HH11 ARG A 64 -4.009 -10.717 -12.284 1.00 3.47 H new ATOM 0 HH12 ARG A 64 -5.239 -11.848 -12.858 1.00 3.47 H new ATOM 0 HH21 ARG A 64 -3.694 -14.679 -11.456 1.00 3.98 H new ATOM 0 HH22 ARG A 64 -5.063 -14.070 -12.394 1.00 3.98 H new ATOM 1054 N ALA A 65 0.534 -9.708 -6.579 1.00 0.42 N ATOM 1055 CA ALA A 65 0.973 -10.489 -5.439 1.00 0.44 C ATOM 1056 C ALA A 65 1.108 -9.609 -4.200 1.00 0.42 C ATOM 1057 O ALA A 65 1.438 -8.426 -4.300 1.00 0.43 O ATOM 1058 CB ALA A 65 2.298 -11.161 -5.757 1.00 0.59 C ATOM 0 H ALA A 65 0.916 -8.763 -6.612 1.00 0.42 H new ATOM 0 HA ALA A 65 0.225 -11.254 -5.230 1.00 0.44 H new ATOM 0 HB1 ALA A 65 2.624 -11.747 -4.898 1.00 0.59 H new ATOM 0 HB2 ALA A 65 2.175 -11.818 -6.618 1.00 0.59 H new ATOM 0 HB3 ALA A 65 3.046 -10.401 -5.983 1.00 0.59 H new ATOM 1064 N PRO A 66 0.829 -10.175 -3.018 1.00 0.41 N ATOM 1065 CA PRO A 66 0.997 -9.479 -1.738 1.00 0.42 C ATOM 1066 C PRO A 66 2.457 -9.111 -1.469 1.00 0.43 C ATOM 1067 O PRO A 66 3.376 -9.656 -2.081 1.00 0.45 O ATOM 1068 CB PRO A 66 0.517 -10.503 -0.701 1.00 0.46 C ATOM 1069 CG PRO A 66 -0.298 -11.487 -1.466 1.00 0.62 C ATOM 1070 CD PRO A 66 0.307 -11.540 -2.835 1.00 0.46 C ATOM 0 HA PRO A 66 0.447 -8.538 -1.716 1.00 0.42 H new ATOM 0 HB2 PRO A 66 1.360 -10.989 -0.209 1.00 0.46 H new ATOM 0 HB3 PRO A 66 -0.075 -10.024 0.079 1.00 0.46 H new ATOM 0 HG2 PRO A 66 -0.276 -12.467 -0.990 1.00 0.62 H new ATOM 0 HG3 PRO A 66 -1.342 -11.179 -1.512 1.00 0.62 H new ATOM 0 HD2 PRO A 66 1.098 -12.287 -2.898 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -0.433 -11.795 -3.594 1.00 0.46 H new ATOM 1078 N ALA A 67 2.659 -8.201 -0.519 1.00 0.54 N ATOM 1079 CA ALA A 67 3.996 -7.703 -0.188 1.00 0.63 C ATOM 1080 C ALA A 67 4.879 -8.799 0.397 1.00 0.52 C ATOM 1081 O ALA A 67 6.093 -8.637 0.510 1.00 0.57 O ATOM 1082 CB ALA A 67 3.899 -6.544 0.789 1.00 0.88 C ATOM 0 H ALA A 67 1.911 -7.790 0.039 1.00 0.54 H new ATOM 0 HA ALA A 67 4.456 -7.360 -1.115 1.00 0.63 H new ATOM 0 HB1 ALA A 67 4.900 -6.184 1.026 1.00 0.88 H new ATOM 0 HB2 ALA A 67 3.320 -5.737 0.340 1.00 0.88 H new ATOM 0 HB3 ALA A 67 3.408 -6.878 1.703 1.00 0.88 H new ATOM 1088 N SER A 68 4.255 -9.903 0.779 1.00 0.49 N ATOM 1089 CA SER A 68 4.970 -11.044 1.325 1.00 0.52 C ATOM 1090 C SER A 68 5.406 -11.982 0.196 1.00 0.47 C ATOM 1091 O SER A 68 6.142 -12.941 0.417 1.00 0.58 O ATOM 1092 CB SER A 68 4.065 -11.776 2.326 1.00 0.64 C ATOM 1093 OG SER A 68 4.768 -12.773 3.049 1.00 1.73 O ATOM 0 H SER A 68 3.245 -10.032 0.719 1.00 0.49 H new ATOM 0 HA SER A 68 5.866 -10.702 1.843 1.00 0.52 H new ATOM 0 HB2 SER A 68 3.639 -11.055 3.024 1.00 0.64 H new ATOM 0 HB3 SER A 68 3.232 -12.234 1.793 1.00 0.64 H new ATOM 0 HG SER A 68 5.438 -13.189 2.466 1.00 1.73 H new ATOM 1099 N SER A 69 4.957 -11.691 -1.018 1.00 0.43 N ATOM 1100 CA SER A 69 5.246 -12.545 -2.159 1.00 0.52 C ATOM 1101 C SER A 69 6.286 -11.912 -3.090 1.00 0.56 C ATOM 1102 O SER A 69 7.086 -12.619 -3.706 1.00 0.88 O ATOM 1103 CB SER A 69 3.955 -12.837 -2.922 1.00 0.67 C ATOM 1104 OG SER A 69 2.956 -13.349 -2.048 1.00 1.30 O ATOM 0 H SER A 69 4.392 -10.870 -1.236 1.00 0.43 H new ATOM 0 HA SER A 69 5.667 -13.479 -1.787 1.00 0.52 H new ATOM 0 HB2 SER A 69 3.595 -11.925 -3.399 1.00 0.67 H new ATOM 0 HB3 SER A 69 4.152 -13.556 -3.717 1.00 0.67 H new ATOM 0 HG SER A 69 2.463 -14.066 -2.499 1.00 1.30 H new ATOM 1110 N GLU A 70 6.278 -10.587 -3.200 1.00 0.52 N ATOM 1111 CA GLU A 70 7.243 -9.901 -4.049 1.00 0.53 C ATOM 1112 C GLU A 70 8.557 -9.688 -3.305 1.00 0.47 C ATOM 1113 O GLU A 70 8.577 -9.129 -2.207 1.00 0.45 O ATOM 1114 CB GLU A 70 6.686 -8.564 -4.544 1.00 0.64 C ATOM 1115 CG GLU A 70 5.427 -8.706 -5.383 1.00 1.19 C ATOM 1116 CD GLU A 70 5.407 -7.771 -6.575 1.00 1.34 C ATOM 1117 OE1 GLU A 70 5.996 -8.107 -7.618 1.00 1.74 O ATOM 1118 OE2 GLU A 70 4.806 -6.676 -6.467 1.00 1.91 O ATOM 0 H GLU A 70 5.621 -9.974 -2.717 1.00 0.52 H new ATOM 0 HA GLU A 70 7.434 -10.531 -4.917 1.00 0.53 H new ATOM 0 HB2 GLU A 70 6.471 -7.928 -3.685 1.00 0.64 H new ATOM 0 HB3 GLU A 70 7.450 -8.056 -5.133 1.00 0.64 H new ATOM 0 HG2 GLU A 70 5.343 -9.735 -5.733 1.00 1.19 H new ATOM 0 HG3 GLU A 70 4.556 -8.510 -4.758 1.00 1.19 H new ATOM 1125 N THR A 71 9.647 -10.144 -3.911 1.00 0.52 N ATOM 1126 CA THR A 71 10.963 -10.086 -3.285 1.00 0.53 C ATOM 1127 C THR A 71 11.915 -9.232 -4.118 1.00 0.61 C ATOM 1128 O THR A 71 11.872 -9.265 -5.349 1.00 0.70 O ATOM 1129 CB THR A 71 11.566 -11.501 -3.148 1.00 0.54 C ATOM 1130 OG1 THR A 71 10.516 -12.479 -3.132 1.00 1.06 O ATOM 1131 CG2 THR A 71 12.384 -11.630 -1.877 1.00 0.91 C ATOM 0 H THR A 71 9.645 -10.561 -4.842 1.00 0.52 H new ATOM 0 HA THR A 71 10.838 -9.644 -2.297 1.00 0.53 H new ATOM 0 HB THR A 71 12.221 -11.669 -4.003 1.00 0.54 H new ATOM 0 HG1 THR A 71 10.904 -13.375 -3.047 1.00 1.06 H new ATOM 0 HG21 THR A 71 12.795 -12.637 -1.809 1.00 0.91 H new ATOM 0 HG22 THR A 71 13.199 -10.906 -1.894 1.00 0.91 H new ATOM 0 HG23 THR A 71 11.747 -11.440 -1.013 1.00 0.91 H new ATOM 1139 N PHE A 72 12.760 -8.466 -3.450 1.00 0.63 N ATOM 1140 CA PHE A 72 13.790 -7.692 -4.127 1.00 0.72 C ATOM 1141 C PHE A 72 15.136 -7.932 -3.458 1.00 0.70 C ATOM 1142 O PHE A 72 15.196 -8.265 -2.273 1.00 0.66 O ATOM 1143 CB PHE A 72 13.445 -6.194 -4.135 1.00 0.84 C ATOM 1144 CG PHE A 72 13.353 -5.556 -2.771 1.00 0.56 C ATOM 1145 CD1 PHE A 72 12.180 -5.631 -2.031 1.00 0.85 C ATOM 1146 CD2 PHE A 72 14.441 -4.894 -2.222 1.00 0.55 C ATOM 1147 CE1 PHE A 72 12.095 -5.055 -0.777 1.00 1.33 C ATOM 1148 CE2 PHE A 72 14.359 -4.317 -0.968 1.00 0.79 C ATOM 1149 CZ PHE A 72 13.179 -4.362 -0.262 1.00 1.27 C ATOM 0 H PHE A 72 12.754 -8.362 -2.435 1.00 0.63 H new ATOM 0 HA PHE A 72 13.845 -8.021 -5.165 1.00 0.72 H new ATOM 0 HB2 PHE A 72 14.200 -5.665 -4.717 1.00 0.84 H new ATOM 0 HB3 PHE A 72 12.493 -6.058 -4.649 1.00 0.84 H new ATOM 0 HD1 PHE A 72 11.323 -6.146 -2.440 1.00 0.85 H new ATOM 0 HD2 PHE A 72 15.363 -4.828 -2.780 1.00 0.55 H new ATOM 0 HE1 PHE A 72 11.186 -5.145 -0.200 1.00 1.33 H new ATOM 0 HE2 PHE A 72 15.223 -3.830 -0.542 1.00 0.79 H new ATOM 0 HZ PHE A 72 13.098 -3.859 0.690 1.00 1.27 H new ATOM 1159 N GLU A 73 16.209 -7.790 -4.217 1.00 0.81 N ATOM 1160 CA GLU A 73 17.542 -8.028 -3.690 1.00 0.85 C ATOM 1161 C GLU A 73 18.197 -6.703 -3.343 1.00 0.87 C ATOM 1162 O GLU A 73 18.432 -5.866 -4.216 1.00 0.95 O ATOM 1163 CB GLU A 73 18.386 -8.820 -4.698 1.00 1.02 C ATOM 1164 CG GLU A 73 19.704 -9.355 -4.142 1.00 1.12 C ATOM 1165 CD GLU A 73 20.858 -8.387 -4.306 1.00 1.45 C ATOM 1166 OE1 GLU A 73 21.072 -7.559 -3.399 1.00 2.00 O ATOM 1167 OE2 GLU A 73 21.551 -8.438 -5.341 1.00 1.58 O ATOM 0 H GLU A 73 16.184 -7.512 -5.198 1.00 0.81 H new ATOM 0 HA GLU A 73 17.469 -8.626 -2.782 1.00 0.85 H new ATOM 0 HB2 GLU A 73 17.795 -9.659 -5.067 1.00 1.02 H new ATOM 0 HB3 GLU A 73 18.601 -8.180 -5.554 1.00 1.02 H new ATOM 0 HG2 GLU A 73 19.578 -9.584 -3.084 1.00 1.12 H new ATOM 0 HG3 GLU A 73 19.949 -10.291 -4.644 1.00 1.12 H new ATOM 1174 N HIS A 74 18.457 -6.515 -2.063 1.00 0.85 N ATOM 1175 CA HIS A 74 19.082 -5.301 -1.575 1.00 0.94 C ATOM 1176 C HIS A 74 20.241 -5.651 -0.648 1.00 1.04 C ATOM 1177 O HIS A 74 20.052 -6.339 0.362 1.00 1.03 O ATOM 1178 CB HIS A 74 18.050 -4.432 -0.845 1.00 0.95 C ATOM 1179 CG HIS A 74 18.589 -3.132 -0.323 1.00 1.21 C ATOM 1180 ND1 HIS A 74 18.581 -1.989 -1.088 1.00 1.83 N ATOM 1181 CD2 HIS A 74 19.125 -2.849 0.888 1.00 1.63 C ATOM 1182 CE1 HIS A 74 19.107 -1.043 -0.329 1.00 1.89 C ATOM 1183 NE2 HIS A 74 19.451 -1.519 0.874 1.00 1.71 N ATOM 0 H HIS A 74 18.242 -7.197 -1.335 1.00 0.85 H new ATOM 0 HA HIS A 74 19.471 -4.735 -2.421 1.00 0.94 H new ATOM 0 HB2 HIS A 74 17.225 -4.222 -1.525 1.00 0.95 H new ATOM 0 HB3 HIS A 74 17.639 -5.001 -0.011 1.00 0.95 H new ATOM 0 HD2 HIS A 74 19.268 -3.539 1.707 1.00 1.63 H new ATOM 0 HE1 HIS A 74 19.242 -0.017 -0.640 1.00 1.89 H new ATOM 0 HE2 HIS A 74 19.876 -0.991 1.636 1.00 1.71 H new ATOM 1191 N ASP A 75 21.439 -5.207 -1.025 1.00 1.23 N ATOM 1192 CA ASP A 75 22.648 -5.393 -0.222 1.00 1.40 C ATOM 1193 C ASP A 75 23.026 -6.875 -0.152 1.00 1.35 C ATOM 1194 O ASP A 75 23.617 -7.350 0.822 1.00 1.42 O ATOM 1195 CB ASP A 75 22.460 -4.796 1.182 1.00 1.50 C ATOM 1196 CG ASP A 75 23.762 -4.636 1.941 1.00 1.87 C ATOM 1197 OD1 ASP A 75 24.753 -4.162 1.342 1.00 2.24 O ATOM 1198 OD2 ASP A 75 23.815 -5.014 3.132 1.00 2.37 O ATOM 0 H ASP A 75 21.600 -4.706 -1.899 1.00 1.23 H new ATOM 0 HA ASP A 75 23.470 -4.863 -0.703 1.00 1.40 H new ATOM 0 HB2 ASP A 75 21.976 -3.823 1.095 1.00 1.50 H new ATOM 0 HB3 ASP A 75 21.789 -5.436 1.755 1.00 1.50 H new ATOM 1203 N GLY A 76 22.675 -7.605 -1.204 1.00 1.31 N ATOM 1204 CA GLY A 76 23.022 -9.008 -1.293 1.00 1.35 C ATOM 1205 C GLY A 76 22.016 -9.895 -0.596 1.00 1.18 C ATOM 1206 O GLY A 76 22.303 -11.052 -0.293 1.00 1.26 O ATOM 0 H GLY A 76 22.152 -7.245 -2.002 1.00 1.31 H new ATOM 0 HA2 GLY A 76 23.092 -9.297 -2.342 1.00 1.35 H new ATOM 0 HA3 GLY A 76 24.007 -9.165 -0.853 1.00 1.35 H new ATOM 1210 N LYS A 77 20.836 -9.354 -0.325 1.00 1.01 N ATOM 1211 CA LYS A 77 19.805 -10.093 0.391 1.00 0.88 C ATOM 1212 C LYS A 77 18.470 -10.003 -0.337 1.00 0.78 C ATOM 1213 O LYS A 77 17.977 -8.909 -0.608 1.00 0.79 O ATOM 1214 CB LYS A 77 19.641 -9.551 1.816 1.00 0.93 C ATOM 1215 CG LYS A 77 20.932 -9.499 2.619 1.00 1.19 C ATOM 1216 CD LYS A 77 21.547 -10.877 2.799 1.00 1.33 C ATOM 1217 CE LYS A 77 22.912 -10.793 3.463 1.00 2.02 C ATOM 1218 NZ LYS A 77 23.849 -9.923 2.700 1.00 2.54 N ATOM 0 H LYS A 77 20.569 -8.406 -0.590 1.00 1.01 H new ATOM 0 HA LYS A 77 20.118 -11.136 0.437 1.00 0.88 H new ATOM 0 HB2 LYS A 77 19.219 -8.547 1.764 1.00 0.93 H new ATOM 0 HB3 LYS A 77 18.921 -10.173 2.348 1.00 0.93 H new ATOM 0 HG2 LYS A 77 21.646 -8.847 2.116 1.00 1.19 H new ATOM 0 HG3 LYS A 77 20.733 -9.060 3.597 1.00 1.19 H new ATOM 0 HD2 LYS A 77 20.884 -11.497 3.403 1.00 1.33 H new ATOM 0 HD3 LYS A 77 21.642 -11.364 1.829 1.00 1.33 H new ATOM 0 HE2 LYS A 77 22.800 -10.405 4.475 1.00 2.02 H new ATOM 0 HE3 LYS A 77 23.335 -11.794 3.550 1.00 2.02 H new ATOM 0 HZ1 LYS A 77 24.797 -10.351 2.698 1.00 2.54 H new ATOM 0 HZ2 LYS A 77 23.512 -9.824 1.721 1.00 2.54 H new ATOM 0 HZ3 LYS A 77 23.894 -8.985 3.147 1.00 2.54 H new ATOM 1232 N LYS A 78 17.892 -11.152 -0.664 1.00 0.74 N ATOM 1233 CA LYS A 78 16.556 -11.185 -1.243 1.00 0.72 C ATOM 1234 C LYS A 78 15.510 -11.074 -0.144 1.00 0.64 C ATOM 1235 O LYS A 78 15.245 -12.037 0.584 1.00 0.78 O ATOM 1236 CB LYS A 78 16.331 -12.458 -2.063 1.00 0.81 C ATOM 1237 CG LYS A 78 17.090 -12.476 -3.379 1.00 0.92 C ATOM 1238 CD LYS A 78 16.790 -13.725 -4.195 1.00 1.05 C ATOM 1239 CE LYS A 78 15.334 -13.780 -4.635 1.00 1.73 C ATOM 1240 NZ LYS A 78 15.085 -14.910 -5.570 1.00 2.52 N ATOM 0 H LYS A 78 18.324 -12.067 -0.539 1.00 0.74 H new ATOM 0 HA LYS A 78 16.460 -10.335 -1.918 1.00 0.72 H new ATOM 0 HB2 LYS A 78 16.631 -13.321 -1.468 1.00 0.81 H new ATOM 0 HB3 LYS A 78 15.266 -12.566 -2.266 1.00 0.81 H new ATOM 0 HG2 LYS A 78 16.828 -11.592 -3.960 1.00 0.92 H new ATOM 0 HG3 LYS A 78 18.160 -12.421 -3.181 1.00 0.92 H new ATOM 0 HD2 LYS A 78 17.436 -13.749 -5.073 1.00 1.05 H new ATOM 0 HD3 LYS A 78 17.024 -14.610 -3.603 1.00 1.05 H new ATOM 0 HE2 LYS A 78 14.693 -13.884 -3.760 1.00 1.73 H new ATOM 0 HE3 LYS A 78 15.064 -12.841 -5.118 1.00 1.73 H new ATOM 0 HZ1 LYS A 78 14.083 -14.916 -5.848 1.00 2.52 H new ATOM 0 HZ2 LYS A 78 15.679 -14.798 -6.416 1.00 2.52 H new ATOM 0 HZ3 LYS A 78 15.319 -15.808 -5.100 1.00 2.52 H new ATOM 1254 N VAL A 79 14.923 -9.897 -0.032 1.00 0.53 N ATOM 1255 CA VAL A 79 13.944 -9.617 1.001 1.00 0.49 C ATOM 1256 C VAL A 79 12.642 -9.150 0.372 1.00 0.43 C ATOM 1257 O VAL A 79 12.644 -8.480 -0.661 1.00 0.45 O ATOM 1258 CB VAL A 79 14.454 -8.548 1.998 1.00 0.57 C ATOM 1259 CG1 VAL A 79 15.610 -9.095 2.823 1.00 1.31 C ATOM 1260 CG2 VAL A 79 14.875 -7.278 1.270 1.00 1.38 C ATOM 0 H VAL A 79 15.111 -9.110 -0.653 1.00 0.53 H new ATOM 0 HA VAL A 79 13.775 -10.541 1.554 1.00 0.49 H new ATOM 0 HB VAL A 79 13.634 -8.297 2.671 1.00 0.57 H new ATOM 0 HG11 VAL A 79 15.955 -8.330 3.518 1.00 1.31 H new ATOM 0 HG12 VAL A 79 15.276 -9.969 3.382 1.00 1.31 H new ATOM 0 HG13 VAL A 79 16.428 -9.379 2.160 1.00 1.31 H new ATOM 0 HG21 VAL A 79 15.229 -6.544 1.994 1.00 1.38 H new ATOM 0 HG22 VAL A 79 15.675 -7.510 0.567 1.00 1.38 H new ATOM 0 HG23 VAL A 79 14.022 -6.870 0.727 1.00 1.38 H new ATOM 1270 N THR A 80 11.533 -9.530 0.976 1.00 0.42 N ATOM 1271 CA THR A 80 10.230 -9.169 0.455 1.00 0.40 C ATOM 1272 C THR A 80 9.877 -7.729 0.808 1.00 0.39 C ATOM 1273 O THR A 80 10.502 -7.135 1.691 1.00 0.42 O ATOM 1274 CB THR A 80 9.136 -10.107 0.990 1.00 0.42 C ATOM 1275 OG1 THR A 80 9.231 -10.200 2.419 1.00 0.49 O ATOM 1276 CG2 THR A 80 9.262 -11.490 0.372 1.00 0.45 C ATOM 0 H THR A 80 11.509 -10.089 1.829 1.00 0.42 H new ATOM 0 HA THR A 80 10.281 -9.268 -0.629 1.00 0.40 H new ATOM 0 HB THR A 80 8.164 -9.695 0.718 1.00 0.42 H new ATOM 0 HG1 THR A 80 8.531 -10.798 2.755 1.00 0.49 H new ATOM 0 HG21 THR A 80 8.478 -12.137 0.765 1.00 0.45 H new ATOM 0 HG22 THR A 80 9.162 -11.415 -0.711 1.00 0.45 H new ATOM 0 HG23 THR A 80 10.237 -11.911 0.618 1.00 0.45 H new ATOM 1284 N ILE A 81 8.883 -7.170 0.130 1.00 0.40 N ATOM 1285 CA ILE A 81 8.426 -5.816 0.431 1.00 0.40 C ATOM 1286 C ILE A 81 8.026 -5.716 1.905 1.00 0.36 C ATOM 1287 O ILE A 81 8.310 -4.724 2.580 1.00 0.37 O ATOM 1288 CB ILE A 81 7.229 -5.408 -0.459 1.00 0.44 C ATOM 1289 CG1 ILE A 81 7.563 -5.613 -1.943 1.00 0.60 C ATOM 1290 CG2 ILE A 81 6.843 -3.957 -0.203 1.00 0.48 C ATOM 1291 CD1 ILE A 81 8.699 -4.742 -2.448 1.00 0.81 C ATOM 0 H ILE A 81 8.379 -7.629 -0.629 1.00 0.40 H new ATOM 0 HA ILE A 81 9.250 -5.134 0.224 1.00 0.40 H new ATOM 0 HB ILE A 81 6.382 -6.045 -0.203 1.00 0.44 H new ATOM 0 HG12 ILE A 81 7.822 -6.659 -2.105 1.00 0.60 H new ATOM 0 HG13 ILE A 81 6.672 -5.410 -2.537 1.00 0.60 H new ATOM 0 HG21 ILE A 81 5.999 -3.688 -0.838 1.00 0.48 H new ATOM 0 HG22 ILE A 81 6.564 -3.834 0.843 1.00 0.48 H new ATOM 0 HG23 ILE A 81 7.690 -3.310 -0.431 1.00 0.48 H new ATOM 0 HD11 ILE A 81 8.873 -4.947 -3.504 1.00 0.81 H new ATOM 0 HD12 ILE A 81 8.437 -3.692 -2.320 1.00 0.81 H new ATOM 0 HD13 ILE A 81 9.605 -4.961 -1.882 1.00 0.81 H new ATOM 1303 N ALA A 82 7.409 -6.782 2.405 1.00 0.36 N ATOM 1304 CA ALA A 82 6.982 -6.847 3.798 1.00 0.39 C ATOM 1305 C ALA A 82 8.176 -6.819 4.749 1.00 0.41 C ATOM 1306 O ALA A 82 8.062 -6.352 5.881 1.00 0.43 O ATOM 1307 CB ALA A 82 6.145 -8.095 4.040 1.00 0.44 C ATOM 0 H ALA A 82 7.193 -7.618 1.862 1.00 0.36 H new ATOM 0 HA ALA A 82 6.372 -5.967 3.999 1.00 0.39 H new ATOM 0 HB1 ALA A 82 5.835 -8.128 5.084 1.00 0.44 H new ATOM 0 HB2 ALA A 82 5.263 -8.071 3.400 1.00 0.44 H new ATOM 0 HB3 ALA A 82 6.737 -8.981 3.809 1.00 0.44 H new ATOM 1313 N SER A 83 9.319 -7.313 4.286 1.00 0.46 N ATOM 1314 CA SER A 83 10.532 -7.315 5.094 1.00 0.54 C ATOM 1315 C SER A 83 11.116 -5.908 5.179 1.00 0.53 C ATOM 1316 O SER A 83 11.736 -5.536 6.177 1.00 0.56 O ATOM 1317 CB SER A 83 11.560 -8.281 4.502 1.00 0.67 C ATOM 1318 OG SER A 83 11.013 -9.583 4.364 1.00 1.08 O ATOM 0 H SER A 83 9.431 -7.717 3.356 1.00 0.46 H new ATOM 0 HA SER A 83 10.279 -7.647 6.101 1.00 0.54 H new ATOM 0 HB2 SER A 83 11.889 -7.916 3.529 1.00 0.67 H new ATOM 0 HB3 SER A 83 12.441 -8.319 5.143 1.00 0.67 H new ATOM 0 HG SER A 83 10.380 -9.594 3.616 1.00 1.08 H new ATOM 1324 N TYR A 84 10.902 -5.132 4.125 1.00 0.51 N ATOM 1325 CA TYR A 84 11.347 -3.747 4.085 1.00 0.55 C ATOM 1326 C TYR A 84 10.632 -2.935 5.161 1.00 0.53 C ATOM 1327 O TYR A 84 11.261 -2.205 5.930 1.00 0.57 O ATOM 1328 CB TYR A 84 11.076 -3.162 2.695 1.00 0.58 C ATOM 1329 CG TYR A 84 11.532 -1.731 2.513 1.00 0.64 C ATOM 1330 CD1 TYR A 84 12.883 -1.409 2.471 1.00 0.74 C ATOM 1331 CD2 TYR A 84 10.608 -0.702 2.369 1.00 0.63 C ATOM 1332 CE1 TYR A 84 13.301 -0.105 2.295 1.00 0.81 C ATOM 1333 CE2 TYR A 84 11.018 0.605 2.190 1.00 0.71 C ATOM 1334 CZ TYR A 84 12.365 0.898 2.153 1.00 0.80 C ATOM 1335 OH TYR A 84 12.780 2.197 1.971 1.00 0.88 O ATOM 0 H TYR A 84 10.420 -5.442 3.281 1.00 0.51 H new ATOM 0 HA TYR A 84 12.418 -3.704 4.282 1.00 0.55 H new ATOM 0 HB2 TYR A 84 11.572 -3.785 1.950 1.00 0.58 H new ATOM 0 HB3 TYR A 84 10.006 -3.217 2.495 1.00 0.58 H new ATOM 0 HD1 TYR A 84 13.619 -2.192 2.578 1.00 0.74 H new ATOM 0 HD2 TYR A 84 9.552 -0.928 2.398 1.00 0.63 H new ATOM 0 HE1 TYR A 84 14.355 0.128 2.269 1.00 0.81 H new ATOM 0 HE2 TYR A 84 10.288 1.393 2.080 1.00 0.71 H new ATOM 0 HH TYR A 84 12.781 2.409 1.014 1.00 0.88 H new ATOM 1345 N PHE A 85 9.313 -3.079 5.221 1.00 0.48 N ATOM 1346 CA PHE A 85 8.517 -2.418 6.248 1.00 0.48 C ATOM 1347 C PHE A 85 8.814 -3.001 7.627 1.00 0.51 C ATOM 1348 O PHE A 85 8.868 -2.276 8.618 1.00 0.59 O ATOM 1349 CB PHE A 85 7.026 -2.519 5.923 1.00 0.48 C ATOM 1350 CG PHE A 85 6.640 -1.722 4.710 1.00 0.51 C ATOM 1351 CD1 PHE A 85 6.522 -0.345 4.776 1.00 0.87 C ATOM 1352 CD2 PHE A 85 6.376 -2.357 3.506 1.00 0.57 C ATOM 1353 CE1 PHE A 85 6.147 0.384 3.665 1.00 0.94 C ATOM 1354 CE2 PHE A 85 6.003 -1.632 2.391 1.00 0.65 C ATOM 1355 CZ PHE A 85 5.966 -0.237 2.461 1.00 0.70 C ATOM 0 H PHE A 85 8.772 -3.648 4.570 1.00 0.48 H new ATOM 0 HA PHE A 85 8.791 -1.363 6.264 1.00 0.48 H new ATOM 0 HB2 PHE A 85 6.763 -3.565 5.764 1.00 0.48 H new ATOM 0 HB3 PHE A 85 6.448 -2.172 6.779 1.00 0.48 H new ATOM 0 HD1 PHE A 85 6.725 0.165 5.706 1.00 0.87 H new ATOM 0 HD2 PHE A 85 6.463 -3.431 3.439 1.00 0.57 H new ATOM 0 HE1 PHE A 85 5.996 1.450 3.748 1.00 0.94 H new ATOM 0 HE2 PHE A 85 5.742 -2.139 1.474 1.00 0.65 H new ATOM 0 HZ PHE A 85 5.795 0.347 1.569 1.00 0.70 H new ATOM 1365 N HIS A 86 9.022 -4.314 7.678 1.00 0.49 N ATOM 1366 CA HIS A 86 9.385 -5.000 8.920 1.00 0.54 C ATOM 1367 C HIS A 86 10.653 -4.390 9.521 1.00 0.57 C ATOM 1368 O HIS A 86 10.779 -4.261 10.740 1.00 0.62 O ATOM 1369 CB HIS A 86 9.593 -6.495 8.643 1.00 0.57 C ATOM 1370 CG HIS A 86 10.054 -7.286 9.830 1.00 0.63 C ATOM 1371 ND1 HIS A 86 11.373 -7.625 9.986 1.00 0.96 N ATOM 1372 CD2 HIS A 86 9.341 -7.792 10.863 1.00 0.74 C ATOM 1373 CE1 HIS A 86 11.437 -8.328 11.102 1.00 0.98 C ATOM 1374 NE2 HIS A 86 10.230 -8.457 11.671 1.00 0.79 N ATOM 0 H HIS A 86 8.945 -4.930 6.869 1.00 0.49 H new ATOM 0 HA HIS A 86 8.575 -4.879 9.639 1.00 0.54 H new ATOM 0 HB2 HIS A 86 8.656 -6.919 8.281 1.00 0.57 H new ATOM 0 HB3 HIS A 86 10.324 -6.605 7.842 1.00 0.57 H new ATOM 0 HD2 HIS A 86 8.277 -7.692 11.021 1.00 0.74 H new ATOM 0 HE1 HIS A 86 12.347 -8.746 11.506 1.00 0.98 H new ATOM 0 HE2 HIS A 86 10.014 -8.953 12.536 1.00 0.79 H new ATOM 1382 N SER A 87 11.575 -4.003 8.651 1.00 0.57 N ATOM 1383 CA SER A 87 12.823 -3.380 9.069 1.00 0.65 C ATOM 1384 C SER A 87 12.571 -1.980 9.635 1.00 0.67 C ATOM 1385 O SER A 87 13.360 -1.465 10.424 1.00 0.75 O ATOM 1386 CB SER A 87 13.792 -3.315 7.887 1.00 0.68 C ATOM 1387 OG SER A 87 14.012 -4.608 7.343 1.00 1.36 O ATOM 0 H SER A 87 11.480 -4.111 7.641 1.00 0.57 H new ATOM 0 HA SER A 87 13.267 -3.986 9.859 1.00 0.65 H new ATOM 0 HB2 SER A 87 13.390 -2.656 7.118 1.00 0.68 H new ATOM 0 HB3 SER A 87 14.740 -2.886 8.211 1.00 0.68 H new ATOM 0 HG SER A 87 13.178 -4.946 6.956 1.00 1.36 H new ATOM 1393 N ARG A 88 11.464 -1.373 9.224 1.00 0.61 N ATOM 1394 CA ARG A 88 11.093 -0.034 9.679 1.00 0.67 C ATOM 1395 C ARG A 88 10.248 -0.104 10.942 1.00 0.64 C ATOM 1396 O ARG A 88 9.418 0.768 11.190 1.00 0.70 O ATOM 1397 CB ARG A 88 10.340 0.711 8.574 1.00 0.74 C ATOM 1398 CG ARG A 88 11.125 0.855 7.273 1.00 0.92 C ATOM 1399 CD ARG A 88 12.352 1.748 7.426 1.00 0.97 C ATOM 1400 NE ARG A 88 13.343 1.180 8.338 1.00 1.13 N ATOM 1401 CZ ARG A 88 14.537 1.714 8.577 1.00 1.42 C ATOM 1402 NH1 ARG A 88 14.896 2.853 7.992 1.00 1.76 N ATOM 1403 NH2 ARG A 88 15.372 1.106 9.410 1.00 2.11 N ATOM 0 H ARG A 88 10.801 -1.790 8.571 1.00 0.61 H new ATOM 0 HA ARG A 88 12.007 0.513 9.912 1.00 0.67 H new ATOM 0 HB2 ARG A 88 9.408 0.186 8.367 1.00 0.74 H new ATOM 0 HB3 ARG A 88 10.073 1.704 8.937 1.00 0.74 H new ATOM 0 HG2 ARG A 88 11.438 -0.131 6.930 1.00 0.92 H new ATOM 0 HG3 ARG A 88 10.473 1.268 6.503 1.00 0.92 H new ATOM 0 HD2 ARG A 88 12.809 1.904 6.449 1.00 0.97 H new ATOM 0 HD3 ARG A 88 12.043 2.727 7.793 1.00 0.97 H new ATOM 0 HE ARG A 88 13.102 0.316 8.824 1.00 1.13 H new ATOM 0 HH11 ARG A 88 14.254 3.324 7.355 1.00 1.76 H new ATOM 0 HH12 ARG A 88 15.814 3.256 8.181 1.00 1.76 H new ATOM 0 HH21 ARG A 88 15.096 0.234 9.863 1.00 2.11 H new ATOM 0 HH22 ARG A 88 16.289 1.510 9.598 1.00 2.11 H new ATOM 1417 N ASN A 89 10.457 -1.166 11.719 1.00 0.61 N ATOM 1418 CA ASN A 89 9.744 -1.375 12.981 1.00 0.63 C ATOM 1419 C ASN A 89 8.247 -1.496 12.719 1.00 0.66 C ATOM 1420 O ASN A 89 7.412 -1.242 13.589 1.00 0.83 O ATOM 1421 CB ASN A 89 10.040 -0.229 13.963 1.00 0.70 C ATOM 1422 CG ASN A 89 9.767 -0.601 15.410 1.00 1.30 C ATOM 1423 OD1 ASN A 89 8.662 -0.411 15.923 1.00 2.07 O ATOM 1424 ND2 ASN A 89 10.780 -1.128 16.084 1.00 1.91 N ATOM 0 H ASN A 89 11.123 -1.905 11.493 1.00 0.61 H new ATOM 0 HA ASN A 89 10.091 -2.303 13.435 1.00 0.63 H new ATOM 0 HB2 ASN A 89 11.084 0.069 13.861 1.00 0.70 H new ATOM 0 HB3 ASN A 89 9.434 0.637 13.696 1.00 0.70 H new ATOM 0 HD21 ASN A 89 10.660 -1.392 17.062 1.00 1.91 H new ATOM 0 HD22 ASN A 89 11.680 -1.270 15.624 1.00 1.91 H new ATOM 1431 N TYR A 90 7.916 -1.916 11.507 1.00 0.56 N ATOM 1432 CA TYR A 90 6.536 -1.984 11.077 1.00 0.64 C ATOM 1433 C TYR A 90 6.208 -3.366 10.519 1.00 0.59 C ATOM 1434 O TYR A 90 6.065 -3.535 9.308 1.00 0.57 O ATOM 1435 CB TYR A 90 6.284 -0.918 10.012 1.00 0.76 C ATOM 1436 CG TYR A 90 4.998 -0.159 10.207 1.00 1.02 C ATOM 1437 CD1 TYR A 90 3.806 -0.656 9.701 1.00 1.04 C ATOM 1438 CD2 TYR A 90 4.972 1.048 10.894 1.00 1.67 C ATOM 1439 CE1 TYR A 90 2.616 0.030 9.876 1.00 1.39 C ATOM 1440 CE2 TYR A 90 3.791 1.741 11.074 1.00 2.09 C ATOM 1441 CZ TYR A 90 2.633 1.257 10.569 1.00 1.94 C ATOM 1442 OH TYR A 90 1.435 1.914 10.746 1.00 2.32 O ATOM 0 H TYR A 90 8.592 -2.215 10.804 1.00 0.56 H new ATOM 0 HA TYR A 90 5.891 -1.803 11.937 1.00 0.64 H new ATOM 0 HB2 TYR A 90 7.115 -0.213 10.013 1.00 0.76 H new ATOM 0 HB3 TYR A 90 6.270 -1.393 9.031 1.00 0.76 H new ATOM 0 HD1 TYR A 90 3.806 -1.592 9.162 1.00 1.04 H new ATOM 0 HD2 TYR A 90 5.891 1.451 11.294 1.00 1.67 H new ATOM 0 HE1 TYR A 90 1.690 -0.369 9.488 1.00 1.39 H new ATOM 0 HE2 TYR A 90 3.792 2.673 11.620 1.00 2.09 H new ATOM 0 HH TYR A 90 1.588 2.746 11.240 1.00 2.32 H new ATOM 1452 N PRO A 91 6.098 -4.384 11.388 1.00 0.61 N ATOM 1453 CA PRO A 91 5.688 -5.719 10.965 1.00 0.62 C ATOM 1454 C PRO A 91 4.242 -5.707 10.487 1.00 0.65 C ATOM 1455 O PRO A 91 3.322 -5.432 11.261 1.00 0.86 O ATOM 1456 CB PRO A 91 5.849 -6.571 12.227 1.00 0.68 C ATOM 1457 CG PRO A 91 5.770 -5.602 13.355 1.00 0.72 C ATOM 1458 CD PRO A 91 6.352 -4.318 12.839 1.00 0.69 C ATOM 0 HA PRO A 91 6.276 -6.101 10.130 1.00 0.62 H new ATOM 0 HB2 PRO A 91 5.065 -7.325 12.298 1.00 0.68 H new ATOM 0 HB3 PRO A 91 6.801 -7.101 12.227 1.00 0.68 H new ATOM 0 HG2 PRO A 91 4.738 -5.461 13.677 1.00 0.72 H new ATOM 0 HG3 PRO A 91 6.327 -5.963 14.219 1.00 0.72 H new ATOM 0 HD2 PRO A 91 5.873 -3.450 13.291 1.00 0.69 H new ATOM 0 HD3 PRO A 91 7.417 -4.244 13.057 1.00 0.69 H new ATOM 1466 N LEU A 92 4.051 -5.980 9.207 1.00 0.53 N ATOM 1467 CA LEU A 92 2.738 -5.883 8.595 1.00 0.55 C ATOM 1468 C LEU A 92 1.774 -6.894 9.202 1.00 0.56 C ATOM 1469 O LEU A 92 2.026 -8.102 9.191 1.00 0.59 O ATOM 1470 CB LEU A 92 2.839 -6.083 7.081 1.00 0.59 C ATOM 1471 CG LEU A 92 3.657 -5.022 6.339 1.00 0.57 C ATOM 1472 CD1 LEU A 92 3.658 -5.301 4.845 1.00 0.65 C ATOM 1473 CD2 LEU A 92 3.106 -3.631 6.615 1.00 0.62 C ATOM 0 H LEU A 92 4.792 -6.272 8.570 1.00 0.53 H new ATOM 0 HA LEU A 92 2.347 -4.885 8.791 1.00 0.55 H new ATOM 0 HB2 LEU A 92 3.281 -7.061 6.888 1.00 0.59 H new ATOM 0 HB3 LEU A 92 1.832 -6.100 6.664 1.00 0.59 H new ATOM 0 HG LEU A 92 4.684 -5.065 6.702 1.00 0.57 H new ATOM 0 HD11 LEU A 92 4.244 -4.538 4.333 1.00 0.65 H new ATOM 0 HD12 LEU A 92 4.097 -6.281 4.658 1.00 0.65 H new ATOM 0 HD13 LEU A 92 2.634 -5.284 4.471 1.00 0.65 H new ATOM 0 HD21 LEU A 92 3.701 -2.891 6.079 1.00 0.62 H new ATOM 0 HD22 LEU A 92 2.070 -3.577 6.279 1.00 0.62 H new ATOM 0 HD23 LEU A 92 3.152 -3.427 7.685 1.00 0.62 H new ATOM 1485 N LYS A 93 0.678 -6.386 9.749 1.00 0.63 N ATOM 1486 CA LYS A 93 -0.356 -7.233 10.321 1.00 0.68 C ATOM 1487 C LYS A 93 -1.212 -7.814 9.205 1.00 0.61 C ATOM 1488 O LYS A 93 -1.852 -8.853 9.366 1.00 0.68 O ATOM 1489 CB LYS A 93 -1.233 -6.434 11.290 1.00 0.83 C ATOM 1490 CG LYS A 93 -0.440 -5.669 12.336 1.00 0.91 C ATOM 1491 CD LYS A 93 -1.351 -4.908 13.284 1.00 1.28 C ATOM 1492 CE LYS A 93 -2.118 -5.849 14.200 1.00 1.57 C ATOM 1493 NZ LYS A 93 -1.217 -6.584 15.128 1.00 2.22 N ATOM 0 H LYS A 93 0.483 -5.387 9.808 1.00 0.63 H new ATOM 0 HA LYS A 93 0.119 -8.043 10.875 1.00 0.68 H new ATOM 0 HB2 LYS A 93 -1.842 -5.731 10.721 1.00 0.83 H new ATOM 0 HB3 LYS A 93 -1.919 -7.116 11.793 1.00 0.83 H new ATOM 0 HG2 LYS A 93 0.178 -6.364 12.904 1.00 0.91 H new ATOM 0 HG3 LYS A 93 0.236 -4.971 11.842 1.00 0.91 H new ATOM 0 HD2 LYS A 93 -0.758 -4.218 13.884 1.00 1.28 H new ATOM 0 HD3 LYS A 93 -2.054 -4.306 12.709 1.00 1.28 H new ATOM 0 HE2 LYS A 93 -2.846 -5.279 14.778 1.00 1.57 H new ATOM 0 HE3 LYS A 93 -2.679 -6.564 13.598 1.00 1.57 H new ATOM 0 HZ1 LYS A 93 -1.779 -7.012 15.891 1.00 2.22 H new ATOM 0 HZ2 LYS A 93 -0.716 -7.331 14.606 1.00 2.22 H new ATOM 0 HZ3 LYS A 93 -0.525 -5.923 15.536 1.00 2.22 H new ATOM 1507 N PHE A 94 -1.209 -7.125 8.067 1.00 0.52 N ATOM 1508 CA PHE A 94 -1.958 -7.567 6.901 1.00 0.50 C ATOM 1509 C PHE A 94 -1.091 -7.466 5.640 1.00 0.44 C ATOM 1510 O PHE A 94 -1.310 -6.595 4.807 1.00 0.42 O ATOM 1511 CB PHE A 94 -3.221 -6.714 6.709 1.00 0.51 C ATOM 1512 CG PHE A 94 -4.015 -6.486 7.965 1.00 0.59 C ATOM 1513 CD1 PHE A 94 -4.809 -7.498 8.486 1.00 0.68 C ATOM 1514 CD2 PHE A 94 -3.965 -5.271 8.629 1.00 0.66 C ATOM 1515 CE1 PHE A 94 -5.539 -7.300 9.642 1.00 0.78 C ATOM 1516 CE2 PHE A 94 -4.694 -5.068 9.785 1.00 0.78 C ATOM 1517 CZ PHE A 94 -5.485 -6.044 10.283 1.00 0.81 C ATOM 0 H PHE A 94 -0.693 -6.256 7.930 1.00 0.52 H new ATOM 0 HA PHE A 94 -2.248 -8.605 7.064 1.00 0.50 H new ATOM 0 HB2 PHE A 94 -2.932 -5.747 6.296 1.00 0.51 H new ATOM 0 HB3 PHE A 94 -3.862 -7.197 5.971 1.00 0.51 H new ATOM 0 HD1 PHE A 94 -4.857 -8.452 7.982 1.00 0.68 H new ATOM 0 HD2 PHE A 94 -3.350 -4.474 8.239 1.00 0.66 H new ATOM 0 HE1 PHE A 94 -6.143 -8.097 10.050 1.00 0.78 H new ATOM 0 HE2 PHE A 94 -4.631 -4.119 10.296 1.00 0.78 H new ATOM 0 HZ PHE A 94 -6.075 -5.863 11.170 1.00 0.81 H new ATOM 1527 N PRO A 95 -0.079 -8.333 5.483 1.00 0.48 N ATOM 1528 CA PRO A 95 0.745 -8.374 4.264 1.00 0.51 C ATOM 1529 C PRO A 95 -0.038 -8.945 3.086 1.00 0.47 C ATOM 1530 O PRO A 95 0.406 -8.915 1.937 1.00 0.51 O ATOM 1531 CB PRO A 95 1.911 -9.306 4.632 1.00 0.64 C ATOM 1532 CG PRO A 95 1.792 -9.551 6.102 1.00 0.65 C ATOM 1533 CD PRO A 95 0.347 -9.348 6.453 1.00 0.59 C ATOM 0 HA PRO A 95 1.073 -7.381 3.956 1.00 0.51 H new ATOM 0 HB2 PRO A 95 1.855 -10.241 4.074 1.00 0.64 H new ATOM 0 HB3 PRO A 95 2.869 -8.847 4.389 1.00 0.64 H new ATOM 0 HG2 PRO A 95 2.114 -10.561 6.354 1.00 0.65 H new ATOM 0 HG3 PRO A 95 2.427 -8.865 6.662 1.00 0.65 H new ATOM 0 HD2 PRO A 95 -0.227 -10.269 6.354 1.00 0.59 H new ATOM 0 HD3 PRO A 95 0.224 -9.004 7.480 1.00 0.59 H new ATOM 1541 N GLN A 96 -1.223 -9.437 3.405 1.00 0.45 N ATOM 1542 CA GLN A 96 -2.043 -10.227 2.500 1.00 0.44 C ATOM 1543 C GLN A 96 -3.146 -9.371 1.855 1.00 0.39 C ATOM 1544 O GLN A 96 -4.121 -9.891 1.310 1.00 0.43 O ATOM 1545 CB GLN A 96 -2.627 -11.375 3.334 1.00 0.53 C ATOM 1546 CG GLN A 96 -3.481 -12.388 2.593 1.00 1.06 C ATOM 1547 CD GLN A 96 -3.901 -13.515 3.514 1.00 1.54 C ATOM 1548 OE1 GLN A 96 -3.153 -13.907 4.407 1.00 2.05 O ATOM 1549 NE2 GLN A 96 -5.104 -14.024 3.328 1.00 2.31 N ATOM 0 H GLN A 96 -1.652 -9.296 4.320 1.00 0.45 H new ATOM 0 HA GLN A 96 -1.451 -10.617 1.672 1.00 0.44 H new ATOM 0 HB2 GLN A 96 -1.801 -11.907 3.807 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -3.228 -10.943 4.134 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -4.365 -11.897 2.186 1.00 1.06 H new ATOM 0 HG3 GLN A 96 -2.923 -12.792 1.748 1.00 1.06 H new ATOM 0 HE21 GLN A 96 -5.696 -13.672 2.576 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -5.442 -14.769 3.937 1.00 2.31 H new ATOM 1558 N LEU A 97 -2.983 -8.054 1.909 1.00 0.44 N ATOM 1559 CA LEU A 97 -4.012 -7.141 1.412 1.00 0.54 C ATOM 1560 C LEU A 97 -3.804 -6.754 -0.054 1.00 0.63 C ATOM 1561 O LEU A 97 -4.640 -6.064 -0.634 1.00 1.25 O ATOM 1562 CB LEU A 97 -4.089 -5.882 2.292 1.00 0.69 C ATOM 1563 CG LEU A 97 -2.746 -5.232 2.667 1.00 0.86 C ATOM 1564 CD1 LEU A 97 -2.034 -4.661 1.450 1.00 1.56 C ATOM 1565 CD2 LEU A 97 -2.957 -4.145 3.707 1.00 1.35 C ATOM 0 H LEU A 97 -2.155 -7.595 2.289 1.00 0.44 H new ATOM 0 HA LEU A 97 -4.959 -7.678 1.467 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -4.696 -5.139 1.775 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -4.614 -6.139 3.212 1.00 0.69 H new ATOM 0 HG LEU A 97 -2.111 -6.012 3.086 1.00 0.86 H new ATOM 0 HD11 LEU A 97 -1.090 -4.211 1.758 1.00 1.56 H new ATOM 0 HD12 LEU A 97 -1.839 -5.460 0.735 1.00 1.56 H new ATOM 0 HD13 LEU A 97 -2.662 -3.902 0.984 1.00 1.56 H new ATOM 0 HD21 LEU A 97 -1.998 -3.694 3.962 1.00 1.35 H new ATOM 0 HD22 LEU A 97 -3.621 -3.380 3.304 1.00 1.35 H new ATOM 0 HD23 LEU A 97 -3.403 -4.579 4.602 1.00 1.35 H new ATOM 1577 N HIS A 98 -2.693 -7.214 -0.631 1.00 0.38 N ATOM 1578 CA HIS A 98 -2.268 -6.825 -1.984 1.00 0.38 C ATOM 1579 C HIS A 98 -1.986 -5.328 -2.066 1.00 0.43 C ATOM 1580 O HIS A 98 -2.895 -4.496 -2.019 1.00 0.49 O ATOM 1581 CB HIS A 98 -3.279 -7.234 -3.065 1.00 0.38 C ATOM 1582 CG HIS A 98 -3.346 -8.715 -3.303 1.00 0.37 C ATOM 1583 ND1 HIS A 98 -3.590 -9.599 -2.282 1.00 0.49 N ATOM 1584 CD2 HIS A 98 -3.175 -9.408 -4.455 1.00 0.46 C ATOM 1585 CE1 HIS A 98 -3.560 -10.800 -2.830 1.00 0.47 C ATOM 1586 NE2 HIS A 98 -3.315 -10.739 -4.147 1.00 0.46 N ATOM 0 H HIS A 98 -2.058 -7.869 -0.175 1.00 0.38 H new ATOM 0 HA HIS A 98 -1.345 -7.370 -2.181 1.00 0.38 H new ATOM 0 HB2 HIS A 98 -4.268 -6.876 -2.778 1.00 0.38 H new ATOM 0 HB3 HIS A 98 -3.019 -6.737 -3.999 1.00 0.38 H new ATOM 0 HD2 HIS A 98 -2.968 -8.992 -5.430 1.00 0.46 H new ATOM 0 HE1 HIS A 98 -3.714 -11.719 -2.284 1.00 0.47 H new ATOM 0 HE2 HIS A 98 -3.246 -11.526 -4.793 1.00 0.46 H new ATOM 1594 N CYS A 99 -0.713 -4.996 -2.184 1.00 0.50 N ATOM 1595 CA CYS A 99 -0.282 -3.610 -2.216 1.00 0.56 C ATOM 1596 C CYS A 99 -0.710 -2.917 -3.507 1.00 0.41 C ATOM 1597 O CYS A 99 -0.973 -3.562 -4.525 1.00 0.38 O ATOM 1598 CB CYS A 99 1.234 -3.540 -2.056 1.00 0.76 C ATOM 1599 SG CYS A 99 1.833 -4.160 -0.469 1.00 1.19 S ATOM 0 H CYS A 99 0.046 -5.673 -2.260 1.00 0.50 H new ATOM 0 HA CYS A 99 -0.761 -3.087 -1.389 1.00 0.56 H new ATOM 0 HB2 CYS A 99 1.701 -4.112 -2.858 1.00 0.76 H new ATOM 0 HB3 CYS A 99 1.554 -2.505 -2.175 1.00 0.76 H new ATOM 0 HG CYS A 99 1.658 -5.447 -0.412 1.00 1.19 H new ATOM 1605 N LEU A 100 -0.761 -1.595 -3.450 1.00 0.43 N ATOM 1606 CA LEU A 100 -1.211 -0.782 -4.566 1.00 0.39 C ATOM 1607 C LEU A 100 -0.049 -0.492 -5.479 1.00 0.28 C ATOM 1608 O LEU A 100 1.009 -0.086 -5.014 1.00 0.27 O ATOM 1609 CB LEU A 100 -1.783 0.560 -4.091 1.00 0.58 C ATOM 1610 CG LEU A 100 -3.050 0.510 -3.238 1.00 0.66 C ATOM 1611 CD1 LEU A 100 -2.704 0.133 -1.824 1.00 1.53 C ATOM 1612 CD2 LEU A 100 -3.754 1.853 -3.247 1.00 0.93 C ATOM 0 H LEU A 100 -0.491 -1.056 -2.627 1.00 0.43 H new ATOM 0 HA LEU A 100 -1.990 -1.340 -5.085 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -1.010 1.075 -3.520 1.00 0.58 H new ATOM 0 HB3 LEU A 100 -1.990 1.170 -4.970 1.00 0.58 H new ATOM 0 HG LEU A 100 -3.718 -0.240 -3.661 1.00 0.66 H new ATOM 0 HD11 LEU A 100 -3.613 0.100 -1.223 1.00 1.53 H new ATOM 0 HD12 LEU A 100 -2.227 -0.847 -1.815 1.00 1.53 H new ATOM 0 HD13 LEU A 100 -2.021 0.873 -1.407 1.00 1.53 H new ATOM 0 HD21 LEU A 100 -4.654 1.796 -2.634 1.00 0.93 H new ATOM 0 HD22 LEU A 100 -3.088 2.616 -2.844 1.00 0.93 H new ATOM 0 HD23 LEU A 100 -4.028 2.114 -4.269 1.00 0.93 H new ATOM 1624 N ASN A 101 -0.242 -0.688 -6.765 1.00 0.29 N ATOM 1625 CA ASN A 101 0.761 -0.304 -7.732 1.00 0.29 C ATOM 1626 C ASN A 101 0.612 1.171 -8.004 1.00 0.29 C ATOM 1627 O ASN A 101 -0.128 1.599 -8.895 1.00 0.37 O ATOM 1628 CB ASN A 101 0.626 -1.111 -9.026 1.00 0.34 C ATOM 1629 CG ASN A 101 1.738 -0.820 -10.017 1.00 0.46 C ATOM 1630 OD1 ASN A 101 2.870 -0.538 -9.633 1.00 1.34 O ATOM 1631 ND2 ASN A 101 1.421 -0.896 -11.299 1.00 0.83 N ATOM 0 H ASN A 101 -1.081 -1.109 -7.164 1.00 0.29 H new ATOM 0 HA ASN A 101 1.753 -0.513 -7.331 1.00 0.29 H new ATOM 0 HB2 ASN A 101 0.627 -2.175 -8.788 1.00 0.34 H new ATOM 0 HB3 ASN A 101 -0.335 -0.889 -9.489 1.00 0.34 H new ATOM 0 HD21 ASN A 101 2.129 -0.717 -12.011 1.00 0.83 H new ATOM 0 HD22 ASN A 101 0.468 -1.133 -11.576 1.00 0.83 H new ATOM 1638 N VAL A 102 1.279 1.942 -7.181 1.00 0.28 N ATOM 1639 CA VAL A 102 1.214 3.374 -7.255 1.00 0.30 C ATOM 1640 C VAL A 102 2.468 3.892 -7.929 1.00 0.31 C ATOM 1641 O VAL A 102 3.355 3.118 -8.300 1.00 0.35 O ATOM 1642 CB VAL A 102 1.084 4.004 -5.847 1.00 0.32 C ATOM 1643 CG1 VAL A 102 0.020 3.293 -5.032 1.00 0.86 C ATOM 1644 CG2 VAL A 102 2.415 3.985 -5.117 1.00 0.91 C ATOM 0 H VAL A 102 1.884 1.589 -6.439 1.00 0.28 H new ATOM 0 HA VAL A 102 0.332 3.652 -7.832 1.00 0.30 H new ATOM 0 HB VAL A 102 0.780 5.043 -5.974 1.00 0.32 H new ATOM 0 HG11 VAL A 102 -0.052 3.754 -4.047 1.00 0.86 H new ATOM 0 HG12 VAL A 102 -0.941 3.371 -5.541 1.00 0.86 H new ATOM 0 HG13 VAL A 102 0.288 2.242 -4.922 1.00 0.86 H new ATOM 0 HG21 VAL A 102 2.295 4.433 -4.131 1.00 0.91 H new ATOM 0 HG22 VAL A 102 2.756 2.955 -5.009 1.00 0.91 H new ATOM 0 HG23 VAL A 102 3.151 4.553 -5.687 1.00 0.91 H new ATOM 1654 N GLY A 103 2.537 5.188 -8.087 1.00 0.35 N ATOM 1655 CA GLY A 103 3.716 5.793 -8.648 1.00 0.41 C ATOM 1656 C GLY A 103 3.586 6.006 -10.140 1.00 0.48 C ATOM 1657 O GLY A 103 2.809 6.848 -10.595 1.00 0.65 O ATOM 0 H GLY A 103 1.795 5.842 -7.837 1.00 0.35 H new ATOM 0 HA2 GLY A 103 3.900 6.750 -8.160 1.00 0.41 H new ATOM 0 HA3 GLY A 103 4.580 5.160 -8.446 1.00 0.41 H new ATOM 1661 N SER A 104 4.356 5.242 -10.893 1.00 0.78 N ATOM 1662 CA SER A 104 4.343 5.291 -12.345 1.00 0.88 C ATOM 1663 C SER A 104 4.784 3.935 -12.888 1.00 1.00 C ATOM 1664 O SER A 104 4.991 3.008 -12.113 1.00 1.10 O ATOM 1665 CB SER A 104 5.264 6.406 -12.845 1.00 0.91 C ATOM 1666 OG SER A 104 4.899 7.656 -12.281 1.00 1.52 O ATOM 0 H SER A 104 5.015 4.563 -10.511 1.00 0.78 H new ATOM 0 HA SER A 104 3.335 5.508 -12.700 1.00 0.88 H new ATOM 0 HB2 SER A 104 6.297 6.173 -12.586 1.00 0.91 H new ATOM 0 HB3 SER A 104 5.214 6.465 -13.932 1.00 0.91 H new ATOM 0 HG SER A 104 5.502 8.353 -12.613 1.00 1.52 H new ATOM 1672 N SER A 105 4.905 3.791 -14.193 1.00 1.06 N ATOM 1673 CA SER A 105 5.411 2.544 -14.746 1.00 1.19 C ATOM 1674 C SER A 105 6.920 2.424 -14.508 1.00 1.14 C ATOM 1675 O SER A 105 7.425 1.340 -14.213 1.00 1.20 O ATOM 1676 CB SER A 105 5.082 2.448 -16.231 1.00 1.36 C ATOM 1677 OG SER A 105 3.690 2.602 -16.447 1.00 1.77 O ATOM 0 H SER A 105 4.666 4.505 -14.881 1.00 1.06 H new ATOM 0 HA SER A 105 4.922 1.713 -14.237 1.00 1.19 H new ATOM 0 HB2 SER A 105 5.627 3.216 -16.780 1.00 1.36 H new ATOM 0 HB3 SER A 105 5.411 1.484 -16.620 1.00 1.36 H new ATOM 0 HG SER A 105 3.499 2.539 -17.406 1.00 1.77 H new ATOM 1683 N ILE A 106 7.633 3.545 -14.626 1.00 1.10 N ATOM 1684 CA ILE A 106 9.065 3.576 -14.325 1.00 1.09 C ATOM 1685 C ILE A 106 9.311 3.348 -12.834 1.00 0.89 C ATOM 1686 O ILE A 106 10.153 2.538 -12.450 1.00 0.95 O ATOM 1687 CB ILE A 106 9.728 4.900 -14.774 1.00 1.18 C ATOM 1688 CG1 ILE A 106 8.916 6.111 -14.299 1.00 1.25 C ATOM 1689 CG2 ILE A 106 9.894 4.916 -16.287 1.00 1.67 C ATOM 1690 CD1 ILE A 106 9.526 7.442 -14.680 1.00 1.60 C ATOM 0 H ILE A 106 7.245 4.439 -14.926 1.00 1.10 H new ATOM 0 HA ILE A 106 9.525 2.766 -14.892 1.00 1.09 H new ATOM 0 HB ILE A 106 10.715 4.964 -14.316 1.00 1.18 H new ATOM 0 HG12 ILE A 106 7.911 6.049 -14.717 1.00 1.25 H new ATOM 0 HG13 ILE A 106 8.814 6.066 -13.215 1.00 1.25 H new ATOM 0 HG21 ILE A 106 10.361 5.852 -16.592 1.00 1.67 H new ATOM 0 HG22 ILE A 106 10.523 4.080 -16.593 1.00 1.67 H new ATOM 0 HG23 ILE A 106 8.917 4.827 -16.761 1.00 1.67 H new ATOM 0 HD11 ILE A 106 8.896 8.250 -14.310 1.00 1.60 H new ATOM 0 HD12 ILE A 106 10.520 7.526 -14.240 1.00 1.60 H new ATOM 0 HD13 ILE A 106 9.603 7.510 -15.765 1.00 1.60 H new ATOM 1702 N LYS A 107 8.575 4.062 -11.993 1.00 0.77 N ATOM 1703 CA LYS A 107 8.581 3.786 -10.579 1.00 0.65 C ATOM 1704 C LYS A 107 7.293 3.077 -10.206 1.00 0.58 C ATOM 1705 O LYS A 107 6.327 3.699 -9.765 1.00 0.59 O ATOM 1706 CB LYS A 107 8.755 5.069 -9.763 1.00 0.80 C ATOM 1707 CG LYS A 107 8.692 4.851 -8.251 1.00 0.52 C ATOM 1708 CD LYS A 107 9.165 3.474 -7.842 1.00 1.41 C ATOM 1709 CE LYS A 107 10.658 3.418 -7.782 1.00 1.58 C ATOM 1710 NZ LYS A 107 11.154 2.044 -7.484 1.00 2.62 N ATOM 0 H LYS A 107 7.970 4.834 -12.273 1.00 0.77 H new ATOM 0 HA LYS A 107 9.429 3.141 -10.347 1.00 0.65 H new ATOM 0 HB2 LYS A 107 9.713 5.522 -10.016 1.00 0.80 H new ATOM 0 HB3 LYS A 107 7.980 5.780 -10.051 1.00 0.80 H new ATOM 0 HG2 LYS A 107 9.303 5.604 -7.753 1.00 0.52 H new ATOM 0 HG3 LYS A 107 7.667 4.996 -7.909 1.00 0.52 H new ATOM 0 HD2 LYS A 107 8.748 3.216 -6.868 1.00 1.41 H new ATOM 0 HD3 LYS A 107 8.798 2.733 -8.552 1.00 1.41 H new ATOM 0 HE2 LYS A 107 11.072 3.755 -8.733 1.00 1.58 H new ATOM 0 HE3 LYS A 107 11.016 4.107 -7.017 1.00 1.58 H new ATOM 0 HZ1 LYS A 107 12.180 2.002 -7.650 1.00 2.62 H new ATOM 0 HZ2 LYS A 107 10.954 1.811 -6.490 1.00 2.62 H new ATOM 0 HZ3 LYS A 107 10.674 1.360 -8.103 1.00 2.62 H new ATOM 1724 N SER A 108 7.293 1.775 -10.387 1.00 0.56 N ATOM 1725 CA SER A 108 6.206 0.955 -9.924 1.00 0.54 C ATOM 1726 C SER A 108 6.426 0.636 -8.456 1.00 0.48 C ATOM 1727 O SER A 108 7.306 -0.150 -8.100 1.00 0.55 O ATOM 1728 CB SER A 108 6.116 -0.315 -10.771 1.00 0.63 C ATOM 1729 OG SER A 108 7.412 -0.773 -11.132 1.00 1.12 O ATOM 0 H SER A 108 8.041 1.263 -10.855 1.00 0.56 H new ATOM 0 HA SER A 108 5.259 1.484 -10.026 1.00 0.54 H new ATOM 0 HB2 SER A 108 5.592 -1.092 -10.215 1.00 0.63 H new ATOM 0 HB3 SER A 108 5.532 -0.118 -11.670 1.00 0.63 H new ATOM 0 HG SER A 108 7.333 -1.587 -11.672 1.00 1.12 H new ATOM 1735 N ILE A 109 5.666 1.282 -7.599 1.00 0.39 N ATOM 1736 CA ILE A 109 5.812 1.076 -6.177 1.00 0.36 C ATOM 1737 C ILE A 109 4.561 0.459 -5.616 1.00 0.32 C ATOM 1738 O ILE A 109 3.465 0.976 -5.804 1.00 0.38 O ATOM 1739 CB ILE A 109 6.111 2.390 -5.420 1.00 0.37 C ATOM 1740 CG1 ILE A 109 5.729 3.624 -6.251 1.00 0.32 C ATOM 1741 CG2 ILE A 109 7.572 2.438 -5.021 1.00 0.54 C ATOM 1742 CD1 ILE A 109 5.931 4.931 -5.516 1.00 0.39 C ATOM 0 H ILE A 109 4.943 1.952 -7.862 1.00 0.39 H new ATOM 0 HA ILE A 109 6.661 0.407 -6.037 1.00 0.36 H new ATOM 0 HB ILE A 109 5.498 2.408 -4.519 1.00 0.37 H new ATOM 0 HG12 ILE A 109 6.322 3.635 -7.165 1.00 0.32 H new ATOM 0 HG13 ILE A 109 4.684 3.542 -6.550 1.00 0.32 H new ATOM 0 HG21 ILE A 109 7.773 3.367 -4.488 1.00 0.54 H new ATOM 0 HG22 ILE A 109 7.800 1.592 -4.373 1.00 0.54 H new ATOM 0 HG23 ILE A 109 8.195 2.390 -5.914 1.00 0.54 H new ATOM 0 HD11 ILE A 109 5.642 5.760 -6.162 1.00 0.39 H new ATOM 0 HD12 ILE A 109 5.317 4.941 -4.616 1.00 0.39 H new ATOM 0 HD13 ILE A 109 6.980 5.035 -5.240 1.00 0.39 H new ATOM 1754 N LEU A 110 4.725 -0.649 -4.926 1.00 0.33 N ATOM 1755 CA LEU A 110 3.599 -1.306 -4.309 1.00 0.34 C ATOM 1756 C LEU A 110 3.500 -0.845 -2.871 1.00 0.35 C ATOM 1757 O LEU A 110 4.354 -1.162 -2.047 1.00 0.41 O ATOM 1758 CB LEU A 110 3.748 -2.832 -4.358 1.00 0.43 C ATOM 1759 CG LEU A 110 3.853 -3.456 -5.754 1.00 0.47 C ATOM 1760 CD1 LEU A 110 2.869 -2.810 -6.713 1.00 1.01 C ATOM 1761 CD2 LEU A 110 5.275 -3.367 -6.294 1.00 1.08 C ATOM 0 H LEU A 110 5.623 -1.110 -4.780 1.00 0.33 H new ATOM 0 HA LEU A 110 2.693 -1.044 -4.856 1.00 0.34 H new ATOM 0 HB2 LEU A 110 4.637 -3.108 -3.791 1.00 0.43 H new ATOM 0 HB3 LEU A 110 2.894 -3.276 -3.847 1.00 0.43 H new ATOM 0 HG LEU A 110 3.596 -4.512 -5.665 1.00 0.47 H new ATOM 0 HD11 LEU A 110 2.964 -3.271 -7.696 1.00 1.01 H new ATOM 0 HD12 LEU A 110 1.854 -2.951 -6.342 1.00 1.01 H new ATOM 0 HD13 LEU A 110 3.082 -1.744 -6.790 1.00 1.01 H new ATOM 0 HD21 LEU A 110 5.317 -3.818 -7.285 1.00 1.08 H new ATOM 0 HD22 LEU A 110 5.575 -2.321 -6.358 1.00 1.08 H new ATOM 0 HD23 LEU A 110 5.952 -3.898 -5.625 1.00 1.08 H new ATOM 1773 N LEU A 111 2.444 -0.123 -2.567 1.00 0.31 N ATOM 1774 CA LEU A 111 2.294 0.477 -1.256 1.00 0.34 C ATOM 1775 C LEU A 111 1.148 -0.197 -0.512 1.00 0.36 C ATOM 1776 O LEU A 111 0.109 -0.473 -1.099 1.00 0.46 O ATOM 1777 CB LEU A 111 2.037 1.985 -1.388 1.00 0.34 C ATOM 1778 CG LEU A 111 3.122 2.814 -2.104 1.00 0.32 C ATOM 1779 CD1 LEU A 111 2.925 4.295 -1.822 1.00 0.38 C ATOM 1780 CD2 LEU A 111 4.521 2.391 -1.692 1.00 0.43 C ATOM 0 H LEU A 111 1.674 0.064 -3.210 1.00 0.31 H new ATOM 0 HA LEU A 111 3.214 0.335 -0.690 1.00 0.34 H new ATOM 0 HB2 LEU A 111 1.096 2.124 -1.921 1.00 0.34 H new ATOM 0 HB3 LEU A 111 1.901 2.395 -0.387 1.00 0.34 H new ATOM 0 HG LEU A 111 3.020 2.631 -3.174 1.00 0.32 H new ATOM 0 HD11 LEU A 111 3.698 4.869 -2.334 1.00 0.38 H new ATOM 0 HD12 LEU A 111 1.944 4.606 -2.181 1.00 0.38 H new ATOM 0 HD13 LEU A 111 2.992 4.473 -0.749 1.00 0.38 H new ATOM 0 HD21 LEU A 111 5.255 3.000 -2.219 1.00 0.43 H new ATOM 0 HD22 LEU A 111 4.641 2.528 -0.617 1.00 0.43 H new ATOM 0 HD23 LEU A 111 4.672 1.341 -1.943 1.00 0.43 H new ATOM 1792 N PRO A 112 1.332 -0.513 0.776 1.00 0.30 N ATOM 1793 CA PRO A 112 0.296 -1.162 1.585 1.00 0.29 C ATOM 1794 C PRO A 112 -0.935 -0.278 1.760 1.00 0.27 C ATOM 1795 O PRO A 112 -0.832 0.861 2.214 1.00 0.30 O ATOM 1796 CB PRO A 112 0.979 -1.403 2.938 1.00 0.33 C ATOM 1797 CG PRO A 112 2.438 -1.267 2.669 1.00 0.53 C ATOM 1798 CD PRO A 112 2.557 -0.275 1.547 1.00 0.33 C ATOM 0 HA PRO A 112 -0.068 -2.076 1.116 1.00 0.29 H new ATOM 0 HB2 PRO A 112 0.647 -0.679 3.681 1.00 0.33 H new ATOM 0 HB3 PRO A 112 0.741 -2.392 3.328 1.00 0.33 H new ATOM 0 HG2 PRO A 112 2.968 -0.920 3.556 1.00 0.53 H new ATOM 0 HG3 PRO A 112 2.875 -2.226 2.391 1.00 0.53 H new ATOM 0 HD2 PRO A 112 2.611 0.749 1.916 1.00 0.33 H new ATOM 0 HD3 PRO A 112 3.452 -0.446 0.949 1.00 0.33 H new ATOM 1806 N ILE A 113 -2.100 -0.822 1.418 1.00 0.27 N ATOM 1807 CA ILE A 113 -3.351 -0.067 1.456 1.00 0.27 C ATOM 1808 C ILE A 113 -3.708 0.371 2.887 1.00 0.29 C ATOM 1809 O ILE A 113 -4.457 1.325 3.087 1.00 0.31 O ATOM 1810 CB ILE A 113 -4.518 -0.848 0.780 1.00 0.29 C ATOM 1811 CG1 ILE A 113 -5.803 -0.014 0.805 1.00 0.31 C ATOM 1812 CG2 ILE A 113 -4.735 -2.227 1.393 1.00 0.30 C ATOM 1813 CD1 ILE A 113 -7.062 -0.803 0.534 1.00 0.45 C ATOM 0 H ILE A 113 -2.204 -1.789 1.110 1.00 0.27 H new ATOM 0 HA ILE A 113 -3.196 0.841 0.873 1.00 0.27 H new ATOM 0 HB ILE A 113 -4.235 -1.020 -0.258 1.00 0.29 H new ATOM 0 HG12 ILE A 113 -5.892 0.466 1.780 1.00 0.31 H new ATOM 0 HG13 ILE A 113 -5.720 0.781 0.064 1.00 0.31 H new ATOM 0 HG21 ILE A 113 -5.560 -2.726 0.884 1.00 0.30 H new ATOM 0 HG22 ILE A 113 -3.828 -2.821 1.283 1.00 0.30 H new ATOM 0 HG23 ILE A 113 -4.973 -2.121 2.451 1.00 0.30 H new ATOM 0 HD11 ILE A 113 -7.924 -0.137 0.570 1.00 0.45 H new ATOM 0 HD12 ILE A 113 -6.999 -1.261 -0.453 1.00 0.45 H new ATOM 0 HD13 ILE A 113 -7.173 -1.581 1.289 1.00 0.45 H new ATOM 1825 N GLU A 114 -3.153 -0.314 3.878 1.00 0.32 N ATOM 1826 CA GLU A 114 -3.334 0.072 5.278 1.00 0.39 C ATOM 1827 C GLU A 114 -2.742 1.462 5.558 1.00 0.38 C ATOM 1828 O GLU A 114 -3.219 2.190 6.430 1.00 0.46 O ATOM 1829 CB GLU A 114 -2.670 -0.971 6.186 1.00 0.47 C ATOM 1830 CG GLU A 114 -2.710 -0.629 7.669 1.00 0.73 C ATOM 1831 CD GLU A 114 -4.080 -0.814 8.293 1.00 1.58 C ATOM 1832 OE1 GLU A 114 -4.985 0.005 8.028 1.00 2.32 O ATOM 1833 OE2 GLU A 114 -4.243 -1.770 9.076 1.00 1.86 O ATOM 0 H GLU A 114 -2.572 -1.141 3.742 1.00 0.32 H new ATOM 0 HA GLU A 114 -4.403 0.116 5.485 1.00 0.39 H new ATOM 0 HB2 GLU A 114 -3.160 -1.932 6.034 1.00 0.47 H new ATOM 0 HB3 GLU A 114 -1.630 -1.092 5.881 1.00 0.47 H new ATOM 0 HG2 GLU A 114 -1.991 -1.254 8.198 1.00 0.73 H new ATOM 0 HG3 GLU A 114 -2.394 0.405 7.804 1.00 0.73 H new ATOM 1840 N LEU A 115 -1.723 1.842 4.797 1.00 0.32 N ATOM 1841 CA LEU A 115 -0.960 3.049 5.103 1.00 0.33 C ATOM 1842 C LEU A 115 -1.521 4.293 4.417 1.00 0.32 C ATOM 1843 O LEU A 115 -1.008 5.396 4.614 1.00 0.33 O ATOM 1844 CB LEU A 115 0.506 2.866 4.701 1.00 0.41 C ATOM 1845 CG LEU A 115 1.259 1.748 5.429 1.00 0.51 C ATOM 1846 CD1 LEU A 115 2.706 1.685 4.962 1.00 0.62 C ATOM 1847 CD2 LEU A 115 1.198 1.959 6.932 1.00 0.58 C ATOM 0 H LEU A 115 -1.406 1.337 3.969 1.00 0.32 H new ATOM 0 HA LEU A 115 -1.039 3.203 6.179 1.00 0.33 H new ATOM 0 HB2 LEU A 115 0.548 2.670 3.630 1.00 0.41 H new ATOM 0 HB3 LEU A 115 1.031 3.805 4.874 1.00 0.41 H new ATOM 0 HG LEU A 115 0.778 0.799 5.191 1.00 0.51 H new ATOM 0 HD11 LEU A 115 3.224 0.885 5.490 1.00 0.62 H new ATOM 0 HD12 LEU A 115 2.734 1.490 3.890 1.00 0.62 H new ATOM 0 HD13 LEU A 115 3.197 2.635 5.171 1.00 0.62 H new ATOM 0 HD21 LEU A 115 1.738 1.156 7.434 1.00 0.58 H new ATOM 0 HD22 LEU A 115 1.655 2.916 7.184 1.00 0.58 H new ATOM 0 HD23 LEU A 115 0.158 1.956 7.258 1.00 0.58 H new ATOM 1859 N CYS A 116 -2.562 4.143 3.615 1.00 0.37 N ATOM 1860 CA CYS A 116 -3.086 5.286 2.883 1.00 0.39 C ATOM 1861 C CYS A 116 -4.463 5.713 3.369 1.00 0.34 C ATOM 1862 O CYS A 116 -5.326 4.890 3.683 1.00 0.38 O ATOM 1863 CB CYS A 116 -3.113 5.011 1.379 1.00 0.48 C ATOM 1864 SG CYS A 116 -3.665 3.356 0.914 1.00 0.86 S ATOM 0 H CYS A 116 -3.052 3.263 3.455 1.00 0.37 H new ATOM 0 HA CYS A 116 -2.405 6.115 3.078 1.00 0.39 H new ATOM 0 HB2 CYS A 116 -3.766 5.742 0.903 1.00 0.48 H new ATOM 0 HB3 CYS A 116 -2.112 5.169 0.978 1.00 0.48 H new ATOM 0 HG CYS A 116 -4.084 2.725 1.971 1.00 0.86 H new ATOM 1870 N SER A 117 -4.636 7.021 3.459 1.00 0.32 N ATOM 1871 CA SER A 117 -5.927 7.619 3.722 1.00 0.29 C ATOM 1872 C SER A 117 -6.482 8.177 2.424 1.00 0.24 C ATOM 1873 O SER A 117 -5.955 9.142 1.865 1.00 0.29 O ATOM 1874 CB SER A 117 -5.793 8.725 4.772 1.00 0.35 C ATOM 1875 OG SER A 117 -5.173 8.235 5.951 1.00 0.97 O ATOM 0 H SER A 117 -3.880 7.697 3.351 1.00 0.32 H new ATOM 0 HA SER A 117 -6.611 6.866 4.113 1.00 0.29 H new ATOM 0 HB2 SER A 117 -5.207 9.549 4.365 1.00 0.35 H new ATOM 0 HB3 SER A 117 -6.778 9.123 5.014 1.00 0.35 H new ATOM 0 HG SER A 117 -5.097 8.960 6.606 1.00 0.97 H new ATOM 1881 N ILE A 118 -7.522 7.538 1.936 1.00 0.19 N ATOM 1882 CA ILE A 118 -8.196 7.979 0.743 1.00 0.21 C ATOM 1883 C ILE A 118 -9.167 9.088 1.105 1.00 0.32 C ATOM 1884 O ILE A 118 -9.982 8.940 2.019 1.00 0.38 O ATOM 1885 CB ILE A 118 -8.953 6.813 0.054 1.00 0.23 C ATOM 1886 CG1 ILE A 118 -9.644 7.301 -1.222 1.00 0.29 C ATOM 1887 CG2 ILE A 118 -9.964 6.176 1.003 1.00 0.28 C ATOM 1888 CD1 ILE A 118 -10.328 6.202 -2.008 1.00 0.35 C ATOM 0 H ILE A 118 -7.921 6.699 2.357 1.00 0.19 H new ATOM 0 HA ILE A 118 -7.451 8.349 0.039 1.00 0.21 H new ATOM 0 HB ILE A 118 -8.222 6.051 -0.217 1.00 0.23 H new ATOM 0 HG12 ILE A 118 -10.382 8.058 -0.957 1.00 0.29 H new ATOM 0 HG13 ILE A 118 -8.906 7.786 -1.861 1.00 0.29 H new ATOM 0 HG21 ILE A 118 -10.479 5.362 0.493 1.00 0.28 H new ATOM 0 HG22 ILE A 118 -9.445 5.785 1.878 1.00 0.28 H new ATOM 0 HG23 ILE A 118 -10.691 6.925 1.317 1.00 0.28 H new ATOM 0 HD11 ILE A 118 -10.794 6.627 -2.897 1.00 0.35 H new ATOM 0 HD12 ILE A 118 -9.592 5.455 -2.306 1.00 0.35 H new ATOM 0 HD13 ILE A 118 -11.091 5.732 -1.388 1.00 0.35 H new ATOM 1900 N GLU A 119 -9.052 10.218 0.448 1.00 0.45 N ATOM 1901 CA GLU A 119 -10.016 11.262 0.657 1.00 0.61 C ATOM 1902 C GLU A 119 -11.210 11.014 -0.252 1.00 0.83 C ATOM 1903 O GLU A 119 -11.063 10.897 -1.469 1.00 0.96 O ATOM 1904 CB GLU A 119 -9.401 12.647 0.426 1.00 0.82 C ATOM 1905 CG GLU A 119 -8.589 12.773 -0.855 1.00 1.47 C ATOM 1906 CD GLU A 119 -8.032 14.169 -1.042 1.00 1.78 C ATOM 1907 OE1 GLU A 119 -7.287 14.644 -0.159 1.00 1.66 O ATOM 1908 OE2 GLU A 119 -8.316 14.793 -2.086 1.00 2.44 O ATOM 0 H GLU A 119 -8.314 10.432 -0.223 1.00 0.45 H new ATOM 0 HA GLU A 119 -10.350 11.246 1.695 1.00 0.61 H new ATOM 0 HB2 GLU A 119 -10.201 13.387 0.408 1.00 0.82 H new ATOM 0 HB3 GLU A 119 -8.760 12.891 1.273 1.00 0.82 H new ATOM 0 HG2 GLU A 119 -7.769 12.056 -0.836 1.00 1.47 H new ATOM 0 HG3 GLU A 119 -9.217 12.516 -1.708 1.00 1.47 H new ATOM 1915 N GLU A 120 -12.385 10.910 0.344 1.00 1.06 N ATOM 1916 CA GLU A 120 -13.576 10.534 -0.409 1.00 1.32 C ATOM 1917 C GLU A 120 -14.122 11.708 -1.213 1.00 1.65 C ATOM 1918 O GLU A 120 -14.855 11.522 -2.187 1.00 1.92 O ATOM 1919 CB GLU A 120 -14.657 9.880 0.489 1.00 1.73 C ATOM 1920 CG GLU A 120 -14.831 10.462 1.898 1.00 2.13 C ATOM 1921 CD GLU A 120 -15.788 11.634 1.971 1.00 2.61 C ATOM 1922 OE1 GLU A 120 -15.667 12.544 1.121 1.00 3.11 O ATOM 1923 OE2 GLU A 120 -16.662 11.647 2.849 1.00 2.72 O ATOM 0 H GLU A 120 -12.543 11.078 1.338 1.00 1.06 H new ATOM 0 HA GLU A 120 -13.275 9.770 -1.125 1.00 1.32 H new ATOM 0 HB2 GLU A 120 -15.614 9.949 -0.027 1.00 1.73 H new ATOM 0 HB3 GLU A 120 -14.422 8.820 0.586 1.00 1.73 H new ATOM 0 HG2 GLU A 120 -15.187 9.675 2.563 1.00 2.13 H new ATOM 0 HG3 GLU A 120 -13.857 10.779 2.271 1.00 2.13 H new ATOM 1930 N GLY A 121 -13.728 12.912 -0.790 1.00 1.79 N ATOM 1931 CA GLY A 121 -13.948 14.123 -1.563 1.00 2.29 C ATOM 1932 C GLY A 121 -15.383 14.336 -1.988 1.00 2.43 C ATOM 1933 O GLY A 121 -15.633 14.824 -3.094 1.00 3.05 O ATOM 0 H GLY A 121 -13.249 13.068 0.097 1.00 1.79 H new ATOM 0 HA2 GLY A 121 -13.625 14.981 -0.973 1.00 2.29 H new ATOM 0 HA3 GLY A 121 -13.318 14.092 -2.452 1.00 2.29 H new ATOM 1937 N GLN A 122 -16.327 13.991 -1.116 1.00 2.55 N ATOM 1938 CA GLN A 122 -17.743 14.181 -1.410 1.00 3.50 C ATOM 1939 C GLN A 122 -18.086 15.666 -1.483 1.00 4.00 C ATOM 1940 O GLN A 122 -19.102 16.051 -2.068 1.00 4.71 O ATOM 1941 CB GLN A 122 -18.616 13.490 -0.360 1.00 4.26 C ATOM 1942 CG GLN A 122 -18.472 11.976 -0.345 1.00 4.41 C ATOM 1943 CD GLN A 122 -19.449 11.304 0.604 1.00 5.12 C ATOM 1944 OE1 GLN A 122 -20.561 10.949 0.215 1.00 5.26 O ATOM 1945 NE2 GLN A 122 -19.050 11.122 1.850 1.00 5.89 N ATOM 0 H GLN A 122 -16.137 13.579 -0.202 1.00 2.55 H new ATOM 0 HA GLN A 122 -17.946 13.729 -2.381 1.00 3.50 H new ATOM 0 HB2 GLN A 122 -18.361 13.880 0.625 1.00 4.26 H new ATOM 0 HB3 GLN A 122 -19.660 13.745 -0.543 1.00 4.26 H new ATOM 0 HG2 GLN A 122 -18.627 11.590 -1.353 1.00 4.41 H new ATOM 0 HG3 GLN A 122 -17.454 11.715 -0.057 1.00 4.41 H new ATOM 0 HE21 GLN A 122 -18.121 11.429 2.138 1.00 5.89 H new ATOM 0 HE22 GLN A 122 -19.671 10.674 2.524 1.00 5.89 H new ATOM 1954 N ALA A 123 -17.237 16.490 -0.886 1.00 4.01 N ATOM 1955 CA ALA A 123 -17.411 17.934 -0.913 1.00 4.97 C ATOM 1956 C ALA A 123 -16.063 18.639 -1.006 1.00 5.11 C ATOM 1957 O ALA A 123 -15.445 18.901 0.051 1.00 5.43 O ATOM 1958 CB ALA A 123 -18.177 18.401 0.314 1.00 5.74 C ATOM 1959 OXT ALA A 123 -15.617 18.920 -2.139 1.00 5.29 O ATOM 0 H ALA A 123 -16.413 16.178 -0.372 1.00 4.01 H new ATOM 0 HA ALA A 123 -17.991 18.192 -1.799 1.00 4.97 H new ATOM 0 HB1 ALA A 123 -18.298 19.484 0.277 1.00 5.74 H new ATOM 0 HB2 ALA A 123 -19.158 17.927 0.333 1.00 5.74 H new ATOM 0 HB3 ALA A 123 -17.625 18.128 1.213 1.00 5.74 H new TER 1965 ALA A 123 ATOM 1966 P A B 204 12.003 3.223 -4.637 1.00 0.94 P ATOM 1967 OP1 A B 204 11.195 1.979 -4.687 1.00 1.39 O ATOM 1968 OP2 A B 204 12.707 3.663 -5.868 1.00 1.43 O ATOM 1969 O5' A B 204 11.063 4.420 -4.163 1.00 0.74 O ATOM 1970 C5' A B 204 9.836 4.228 -3.456 1.00 0.54 C ATOM 1971 C4' A B 204 9.960 4.873 -2.097 1.00 0.57 C ATOM 1972 O4' A B 204 11.011 5.863 -2.155 1.00 0.80 O ATOM 1973 C3' A B 204 8.757 5.680 -1.642 1.00 0.71 C ATOM 1974 O3' A B 204 8.770 5.863 -0.230 1.00 0.83 O ATOM 1975 C2' A B 204 8.932 6.999 -2.396 1.00 0.92 C ATOM 1976 O2' A B 204 8.559 8.112 -1.607 1.00 1.25 O ATOM 1977 C1' A B 204 10.444 7.057 -2.649 1.00 0.96 C ATOM 1978 N9 A B 204 10.821 7.201 -4.059 1.00 1.03 N ATOM 1979 C8 A B 204 12.091 7.211 -4.582 1.00 1.20 C ATOM 1980 N7 A B 204 12.130 7.427 -5.875 1.00 1.33 N ATOM 1981 C5 A B 204 10.795 7.568 -6.228 1.00 1.23 C ATOM 1982 C6 A B 204 10.167 7.815 -7.458 1.00 1.33 C ATOM 1983 N6 A B 204 10.831 7.970 -8.605 1.00 1.54 N ATOM 1984 N1 A B 204 8.819 7.894 -7.471 1.00 1.27 N ATOM 1985 C2 A B 204 8.158 7.736 -6.316 1.00 1.14 C ATOM 1986 N3 A B 204 8.637 7.505 -5.097 1.00 1.03 N ATOM 1987 C4 A B 204 9.979 7.430 -5.119 1.00 1.06 C ATOM 0 H5' A B 204 9.621 3.164 -3.352 1.00 0.54 H new ATOM 0 H5'' A B 204 9.007 4.668 -4.010 1.00 0.54 H new ATOM 0 H4' A B 204 10.116 4.036 -1.417 1.00 0.57 H new ATOM 0 H3' A B 204 7.801 5.200 -1.850 1.00 0.71 H new ATOM 0 H2' A B 204 8.316 7.037 -3.294 1.00 0.92 H new ATOM 0 HO2' A B 204 7.584 8.210 -1.620 1.00 1.25 H new ATOM 0 H1' A B 204 10.815 7.948 -2.143 1.00 0.96 H new ATOM 0 H8 A B 204 12.976 7.055 -3.983 1.00 1.20 H new ATOM 0 H61 A B 204 10.320 8.148 -9.470 1.00 1.54 H new ATOM 0 H62 A B 204 11.849 7.911 -8.617 1.00 1.54 H new ATOM 0 H2 A B 204 7.082 7.806 -6.385 1.00 1.14 H new ATOM 1999 P C B 205 7.493 5.435 0.647 1.00 0.79 P ATOM 2000 OP1 C B 205 6.381 6.350 0.280 1.00 1.29 O ATOM 2001 OP2 C B 205 7.916 5.330 2.067 1.00 0.93 O ATOM 2002 O5' C B 205 7.121 3.975 0.128 1.00 0.93 O ATOM 2003 C5' C B 205 8.062 2.902 0.180 1.00 0.77 C ATOM 2004 C4' C B 205 7.961 2.067 -1.076 1.00 0.68 C ATOM 2005 O4' C B 205 9.241 2.148 -1.748 1.00 0.58 O ATOM 2006 C3' C B 205 7.703 0.581 -0.853 1.00 0.90 C ATOM 2007 O3' C B 205 6.359 0.241 -1.167 1.00 1.30 O ATOM 2008 C2' C B 205 8.649 -0.159 -1.800 1.00 0.66 C ATOM 2009 O2' C B 205 7.941 -0.823 -2.827 1.00 0.92 O ATOM 2010 C1' C B 205 9.509 0.942 -2.423 1.00 0.54 C ATOM 2011 N1 C B 205 10.946 0.657 -2.307 1.00 0.66 N ATOM 2012 C2 C B 205 11.493 -0.389 -3.058 1.00 0.97 C ATOM 2013 O2 C B 205 10.763 -1.010 -3.849 1.00 1.09 O ATOM 2014 N3 C B 205 12.803 -0.692 -2.909 1.00 1.23 N ATOM 2015 C4 C B 205 13.556 0.006 -2.054 1.00 1.21 C ATOM 2016 N4 C B 205 14.842 -0.331 -1.936 1.00 1.53 N ATOM 2017 C5 C B 205 13.024 1.079 -1.282 1.00 0.96 C ATOM 2018 C6 C B 205 11.726 1.368 -1.441 1.00 0.71 C ATOM 0 H5' C B 205 7.871 2.282 1.056 1.00 0.77 H new ATOM 0 H5'' C B 205 9.072 3.298 0.284 1.00 0.77 H new ATOM 0 H4' C B 205 7.113 2.465 -1.633 1.00 0.68 H new ATOM 0 H3' C B 205 7.870 0.315 0.191 1.00 0.90 H new ATOM 0 H2' C B 205 9.225 -0.917 -1.268 1.00 0.66 H new ATOM 0 HO2' C B 205 6.978 -0.729 -2.674 1.00 0.92 H new ATOM 0 HO3' C B 205 6.069 -0.503 -0.599 1.00 1.30 H new ATOM 0 H1' C B 205 9.262 1.005 -3.483 1.00 0.54 H new ATOM 0 H41 C B 205 15.446 0.180 -1.293 1.00 1.53 H new ATOM 0 H42 C B 205 15.220 -1.100 -2.489 1.00 1.53 H new ATOM 0 H5 C B 205 13.643 1.637 -0.596 1.00 0.96 H new ATOM 0 H6 C B 205 11.289 2.177 -0.875 1.00 0.71 H new TER 2031 C B 205