USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 952 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 54 ASN : amide:sc= 0 X(o=0,f=0.022) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 30:sc= -0.0255 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.124 K(o=-0.12,f=-0.73) USER MOD Single : A 16 THR OG1 : rot -103:sc= 1.01 USER MOD Single : A 17 THR OG1 : rot 91:sc= 1.2 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN :FLIP amide:sc=-0.00143 F(o=-1.5!,f=-0.0014) USER MOD Single : A 31 SER OG : rot -80:sc= 0.231 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -83:sc= 0.172 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -0.947 K(o=-0.95,f=-2.9!) USER MOD Single : A 62 TYR OH : rot -140:sc= -1.49! USER MOD Single : A 64 THR OG1 : rot 86:sc= -0.421 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -57:sc= 0.349 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -23:sc= 0.946 USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0969) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 167:sc= 0.171 USER MOD Single : A 99 LYS NZ :NH3+ -103:sc= -0.365 (180deg=-2.31!) USER MOD Single : A 105 ASN : amide:sc= 0.23 X(o=0.23,f=0) USER MOD Single : A 111 ASN : amide:sc=-0.00111 X(o=-0.0011,f=-0.19) USER MOD Single : A 115 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 116 CYS SG : rot 170:sc= -6.83! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -8.407 -19.517 -13.155 1.00 0.00 N ATOM 2 CA TYR A 4 -8.675 -18.079 -13.306 1.00 0.00 C ATOM 3 C TYR A 4 -8.031 -17.341 -12.123 1.00 0.00 C ATOM 4 O TYR A 4 -7.849 -17.922 -11.050 1.00 0.00 O ATOM 5 CB TYR A 4 -10.204 -17.911 -13.343 1.00 0.00 C ATOM 6 CG TYR A 4 -10.661 -16.687 -14.119 1.00 0.00 C ATOM 7 CD1 TYR A 4 -10.747 -16.750 -15.476 1.00 0.00 C ATOM 8 CD2 TYR A 4 -11.038 -15.554 -13.471 1.00 0.00 C ATOM 9 CE1 TYR A 4 -11.200 -15.680 -16.181 1.00 0.00 C ATOM 10 CE2 TYR A 4 -11.497 -14.487 -14.177 1.00 0.00 C ATOM 11 CZ TYR A 4 -11.575 -14.548 -15.532 1.00 0.00 C ATOM 12 OH TYR A 4 -12.031 -13.470 -16.244 1.00 0.00 O ATOM 0 HA TYR A 4 -8.253 -17.661 -14.220 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -10.649 -18.801 -13.789 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.579 -17.845 -12.322 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.455 -17.652 -15.993 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.973 -15.501 -12.394 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.262 -15.730 -17.258 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.800 -13.589 -13.660 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.469 -13.781 -17.064 1.00 0.00 H new ATOM 22 N LYS A 5 -7.750 -16.045 -12.263 1.00 0.00 N ATOM 23 CA LYS A 5 -7.334 -15.253 -11.105 1.00 0.00 C ATOM 24 C LYS A 5 -8.338 -14.136 -10.828 1.00 0.00 C ATOM 25 O LYS A 5 -8.828 -13.461 -11.735 1.00 0.00 O ATOM 26 CB LYS A 5 -5.977 -14.625 -11.437 1.00 0.00 C ATOM 27 CG LYS A 5 -4.827 -15.638 -11.440 1.00 0.00 C ATOM 28 CD LYS A 5 -3.495 -14.954 -11.751 1.00 0.00 C ATOM 29 CE LYS A 5 -2.344 -15.960 -11.761 1.00 0.00 C ATOM 30 NZ LYS A 5 -1.074 -15.282 -12.064 1.00 0.00 N ATOM 0 H LYS A 5 -7.801 -15.532 -13.143 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.275 -15.892 -10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.035 -14.148 -12.415 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.760 -13.841 -10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.769 -16.131 -10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.023 -16.414 -12.180 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.556 -14.458 -12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.299 -14.181 -11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.277 -16.456 -10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.536 -16.735 -12.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.301 -15.978 -12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.136 -14.829 -12.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.885 -14.559 -11.341 1.00 0.00 H new ATOM 44 N THR A 6 -8.565 -13.896 -9.543 1.00 0.00 N ATOM 45 CA THR A 6 -9.190 -12.635 -9.113 1.00 0.00 C ATOM 46 C THR A 6 -8.065 -11.722 -8.624 1.00 0.00 C ATOM 47 O THR A 6 -7.084 -12.170 -8.025 1.00 0.00 O ATOM 48 CB THR A 6 -10.288 -12.830 -8.044 1.00 0.00 C ATOM 49 OG1 THR A 6 -10.348 -11.706 -7.175 1.00 0.00 O ATOM 50 CG2 THR A 6 -10.141 -14.096 -7.195 1.00 0.00 C ATOM 0 H THR A 6 -8.334 -14.540 -8.786 1.00 0.00 H new ATOM 0 HA THR A 6 -9.716 -12.184 -9.954 1.00 0.00 H new ATOM 0 HB THR A 6 -11.210 -12.938 -8.615 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.050 -11.847 -6.506 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.956 -14.147 -6.473 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.173 -14.973 -7.841 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.189 -14.070 -6.665 1.00 0.00 H new ATOM 58 N GLY A 7 -8.200 -10.435 -8.931 1.00 0.00 N ATOM 59 CA GLY A 7 -7.182 -9.476 -8.493 1.00 0.00 C ATOM 60 C GLY A 7 -7.697 -8.187 -7.863 1.00 0.00 C ATOM 61 O GLY A 7 -8.802 -8.098 -7.326 1.00 0.00 O ATOM 0 H GLY A 7 -8.975 -10.038 -9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.531 -9.972 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.566 -9.214 -9.353 1.00 0.00 H new ATOM 65 N LEU A 8 -6.804 -7.200 -7.885 1.00 0.00 N ATOM 66 CA LEU A 8 -7.027 -5.930 -7.195 1.00 0.00 C ATOM 67 C LEU A 8 -6.649 -4.817 -8.159 1.00 0.00 C ATOM 68 O LEU A 8 -5.627 -4.874 -8.845 1.00 0.00 O ATOM 69 CB LEU A 8 -6.088 -5.886 -5.972 1.00 0.00 C ATOM 70 CG LEU A 8 -6.079 -4.558 -5.200 1.00 0.00 C ATOM 71 CD1 LEU A 8 -7.472 -4.135 -4.730 1.00 0.00 C ATOM 72 CD2 LEU A 8 -5.149 -4.661 -3.993 1.00 0.00 C ATOM 0 H LEU A 8 -5.912 -7.256 -8.377 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.063 -5.820 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.373 -6.684 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.073 -6.100 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.721 -3.796 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.403 -3.190 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.126 -4.013 -5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.881 -4.900 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.149 -3.715 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.496 -5.456 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.137 -4.885 -4.331 1.00 0.00 H new ATOM 84 N LEU A 9 -7.452 -3.766 -8.156 1.00 0.00 N ATOM 85 CA LEU A 9 -7.102 -2.553 -8.859 1.00 0.00 C ATOM 86 C LEU A 9 -7.148 -1.384 -7.866 1.00 0.00 C ATOM 87 O LEU A 9 -8.115 -1.184 -7.129 1.00 0.00 O ATOM 88 CB LEU A 9 -8.063 -2.498 -10.044 1.00 0.00 C ATOM 89 CG LEU A 9 -8.125 -1.128 -10.692 1.00 0.00 C ATOM 90 CD1 LEU A 9 -6.759 -0.804 -11.274 1.00 0.00 C ATOM 91 CD2 LEU A 9 -9.176 -1.214 -11.776 1.00 0.00 C ATOM 0 H LEU A 9 -8.350 -3.733 -7.673 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.090 -2.506 -9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.756 -3.233 -10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.061 -2.781 -9.709 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.383 -0.341 -9.983 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.788 0.179 -11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.015 -0.804 -10.478 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.493 -1.554 -12.019 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.262 -0.250 -12.277 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.889 -1.975 -12.501 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.136 -1.479 -11.332 1.00 0.00 H new ATOM 103 N LEU A 10 -6.078 -0.603 -7.898 1.00 0.00 N ATOM 104 CA LEU A 10 -6.046 0.689 -7.194 1.00 0.00 C ATOM 105 C LEU A 10 -5.924 1.796 -8.238 1.00 0.00 C ATOM 106 O LEU A 10 -4.973 1.846 -9.016 1.00 0.00 O ATOM 107 CB LEU A 10 -4.889 0.807 -6.183 1.00 0.00 C ATOM 108 CG LEU A 10 -5.337 0.489 -4.754 1.00 0.00 C ATOM 109 CD1 LEU A 10 -4.203 -0.107 -3.926 1.00 0.00 C ATOM 110 CD2 LEU A 10 -5.816 1.781 -4.087 1.00 0.00 C ATOM 0 H LEU A 10 -5.220 -0.832 -8.399 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.967 0.776 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.087 0.128 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.480 1.817 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.141 -0.246 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.561 -0.319 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.860 -1.031 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.377 0.603 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.138 1.567 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.000 2.503 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.652 2.194 -4.652 1.00 0.00 H new ATOM 122 N ILE A 11 -6.906 2.685 -8.258 1.00 0.00 N ATOM 123 CA ILE A 11 -6.891 3.797 -9.221 1.00 0.00 C ATOM 124 C ILE A 11 -6.980 5.112 -8.449 1.00 0.00 C ATOM 125 O ILE A 11 -7.764 5.256 -7.512 1.00 0.00 O ATOM 126 CB ILE A 11 -8.064 3.673 -10.220 1.00 0.00 C ATOM 127 CG1 ILE A 11 -9.416 3.346 -9.551 1.00 0.00 C ATOM 128 CG2 ILE A 11 -7.706 2.632 -11.281 1.00 0.00 C ATOM 129 CD1 ILE A 11 -10.550 3.147 -10.557 1.00 0.00 C ATOM 0 H ILE A 11 -7.713 2.668 -7.634 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.965 3.769 -9.796 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.205 4.649 -10.684 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.308 2.443 -8.950 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.681 4.153 -8.868 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.528 2.538 -11.990 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.805 2.945 -11.809 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.529 1.669 -10.801 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.473 2.920 -10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.682 4.058 -11.141 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.304 2.321 -11.224 1.00 0.00 H new ATOM 141 N HIS A 12 -6.222 6.110 -8.888 1.00 0.00 N ATOM 142 CA HIS A 12 -6.417 7.464 -8.361 1.00 0.00 C ATOM 143 C HIS A 12 -7.452 8.142 -9.282 1.00 0.00 C ATOM 144 O HIS A 12 -7.291 8.111 -10.503 1.00 0.00 O ATOM 145 CB HIS A 12 -5.058 8.166 -8.375 1.00 0.00 C ATOM 146 CG HIS A 12 -5.082 9.687 -8.366 1.00 0.00 C ATOM 147 ND1 HIS A 12 -5.740 10.489 -7.445 1.00 0.00 N ATOM 148 CD2 HIS A 12 -4.491 10.459 -9.377 1.00 0.00 C ATOM 149 CE1 HIS A 12 -5.475 11.711 -8.013 1.00 0.00 C ATOM 150 NE2 HIS A 12 -4.727 11.797 -9.155 1.00 0.00 N ATOM 0 H HIS A 12 -5.485 6.018 -9.588 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.789 7.491 -7.337 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.490 7.828 -7.508 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.513 7.838 -9.260 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.931 10.061 -10.210 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.860 12.610 -7.555 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -4.430 12.615 -9.687 1.00 0.00 H new ATOM 158 N PRO A 13 -8.512 8.759 -8.746 1.00 0.00 N ATOM 159 CA PRO A 13 -9.644 9.242 -9.552 1.00 0.00 C ATOM 160 C PRO A 13 -9.435 10.165 -10.761 1.00 0.00 C ATOM 161 O PRO A 13 -10.400 10.420 -11.480 1.00 0.00 O ATOM 162 CB PRO A 13 -10.405 10.039 -8.497 1.00 0.00 C ATOM 163 CG PRO A 13 -10.250 9.211 -7.228 1.00 0.00 C ATOM 164 CD PRO A 13 -8.807 8.722 -7.306 1.00 0.00 C ATOM 0 HA PRO A 13 -10.087 8.376 -10.044 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.989 11.039 -8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.454 10.161 -8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.425 9.808 -6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.956 8.381 -7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.133 9.366 -6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.701 7.716 -6.900 1.00 0.00 H new ATOM 172 N ALA A 14 -8.294 10.835 -10.895 1.00 0.00 N ATOM 173 CA ALA A 14 -8.283 12.034 -11.753 1.00 0.00 C ATOM 174 C ALA A 14 -8.579 11.835 -13.239 1.00 0.00 C ATOM 175 O ALA A 14 -9.463 12.516 -13.765 1.00 0.00 O ATOM 176 CB ALA A 14 -6.949 12.762 -11.603 1.00 0.00 C ATOM 0 H ALA A 14 -7.407 10.594 -10.452 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.126 12.619 -11.386 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.944 13.648 -12.238 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.812 13.060 -10.564 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.137 12.098 -11.900 1.00 0.00 H new ATOM 182 N VAL A 15 -7.919 10.903 -13.915 1.00 0.00 N ATOM 183 CA VAL A 15 -8.381 10.536 -15.265 1.00 0.00 C ATOM 184 C VAL A 15 -9.323 9.313 -15.167 1.00 0.00 C ATOM 185 O VAL A 15 -10.186 9.125 -16.024 1.00 0.00 O ATOM 186 CB VAL A 15 -7.218 10.333 -16.256 1.00 0.00 C ATOM 187 CG1 VAL A 15 -7.735 10.093 -17.680 1.00 0.00 C ATOM 188 CG2 VAL A 15 -6.290 11.554 -16.295 1.00 0.00 C ATOM 0 H VAL A 15 -7.097 10.402 -13.578 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.949 11.368 -15.681 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.667 9.461 -15.904 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.891 9.954 -18.355 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.362 9.201 -17.694 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.320 10.953 -18.004 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.482 11.374 -17.004 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.857 12.432 -16.605 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.871 11.724 -15.303 1.00 0.00 H new ATOM 198 N THR A 16 -9.157 8.470 -14.140 1.00 0.00 N ATOM 199 CA THR A 16 -9.863 7.184 -14.085 1.00 0.00 C ATOM 200 C THR A 16 -11.373 7.294 -13.810 1.00 0.00 C ATOM 201 O THR A 16 -12.075 6.296 -13.982 1.00 0.00 O ATOM 202 CB THR A 16 -9.200 6.279 -13.036 1.00 0.00 C ATOM 203 OG1 THR A 16 -9.326 6.853 -11.743 1.00 0.00 O ATOM 204 CG2 THR A 16 -7.722 6.011 -13.333 1.00 0.00 C ATOM 0 H THR A 16 -8.546 8.652 -13.344 1.00 0.00 H new ATOM 0 HA THR A 16 -9.780 6.751 -15.082 1.00 0.00 H new ATOM 0 HB THR A 16 -9.720 5.322 -13.075 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.473 7.257 -11.480 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.306 5.366 -12.559 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.629 5.521 -14.302 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.177 6.955 -13.350 1.00 0.00 H new ATOM 212 N THR A 17 -11.907 8.438 -13.363 1.00 0.00 N ATOM 213 CA THR A 17 -13.314 8.451 -12.909 1.00 0.00 C ATOM 214 C THR A 17 -14.307 8.445 -14.100 1.00 0.00 C ATOM 215 O THR A 17 -15.512 8.281 -13.904 1.00 0.00 O ATOM 216 CB THR A 17 -13.512 9.670 -11.990 1.00 0.00 C ATOM 217 OG1 THR A 17 -12.760 9.468 -10.803 1.00 0.00 O ATOM 218 CG2 THR A 17 -14.968 9.897 -11.576 1.00 0.00 C ATOM 0 H THR A 17 -11.418 9.331 -13.304 1.00 0.00 H new ATOM 0 HA THR A 17 -13.528 7.540 -12.350 1.00 0.00 H new ATOM 0 HB THR A 17 -13.187 10.543 -12.556 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.863 9.847 -10.915 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.030 10.772 -10.930 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.578 10.058 -12.465 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.334 9.022 -11.038 1.00 0.00 H new ATOM 226 N THR A 18 -13.814 8.512 -15.337 1.00 0.00 N ATOM 227 CA THR A 18 -14.663 8.240 -16.505 1.00 0.00 C ATOM 228 C THR A 18 -14.381 6.766 -16.923 1.00 0.00 C ATOM 229 O THR A 18 -13.414 6.170 -16.444 1.00 0.00 O ATOM 230 CB THR A 18 -14.135 9.310 -17.501 1.00 0.00 C ATOM 231 OG1 THR A 18 -14.369 10.600 -16.949 1.00 0.00 O ATOM 232 CG2 THR A 18 -14.715 9.337 -18.918 1.00 0.00 C ATOM 0 H THR A 18 -12.847 8.748 -15.558 1.00 0.00 H new ATOM 0 HA THR A 18 -15.745 8.312 -16.393 1.00 0.00 H new ATOM 0 HB THR A 18 -13.089 9.030 -17.624 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.039 11.285 -17.567 1.00 0.00 H new ATOM 0 HG21 THR A 18 -14.245 10.138 -19.488 1.00 0.00 H new ATOM 0 HG22 THR A 18 -14.524 8.382 -19.408 1.00 0.00 H new ATOM 0 HG23 THR A 18 -15.790 9.510 -18.868 1.00 0.00 H new ATOM 240 N PRO A 19 -15.157 6.120 -17.809 1.00 0.00 N ATOM 241 CA PRO A 19 -14.989 4.663 -18.028 1.00 0.00 C ATOM 242 C PRO A 19 -13.802 4.200 -18.890 1.00 0.00 C ATOM 243 O PRO A 19 -13.657 2.997 -19.104 1.00 0.00 O ATOM 244 CB PRO A 19 -16.329 4.216 -18.628 1.00 0.00 C ATOM 245 CG PRO A 19 -17.041 5.500 -19.042 1.00 0.00 C ATOM 246 CD PRO A 19 -16.557 6.513 -18.014 1.00 0.00 C ATOM 0 HA PRO A 19 -14.734 4.200 -17.075 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.176 3.559 -19.484 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.918 3.658 -17.900 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.776 5.798 -20.057 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.125 5.386 -19.016 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.641 7.535 -18.382 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.132 6.459 -17.090 1.00 0.00 H new ATOM 254 N GLU A 20 -12.972 5.091 -19.425 1.00 0.00 N ATOM 255 CA GLU A 20 -11.989 4.653 -20.434 1.00 0.00 C ATOM 256 C GLU A 20 -10.809 3.860 -19.852 1.00 0.00 C ATOM 257 O GLU A 20 -10.508 2.770 -20.340 1.00 0.00 O ATOM 258 CB GLU A 20 -11.455 5.864 -21.207 1.00 0.00 C ATOM 259 CG GLU A 20 -12.524 6.545 -22.070 1.00 0.00 C ATOM 260 CD GLU A 20 -11.951 7.758 -22.794 1.00 0.00 C ATOM 261 OE1 GLU A 20 -11.442 7.600 -23.924 1.00 0.00 O ATOM 262 OE2 GLU A 20 -12.008 8.875 -22.235 1.00 0.00 O ATOM 0 H GLU A 20 -12.951 6.084 -19.195 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.524 3.974 -21.098 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.051 6.589 -20.501 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.630 5.546 -21.845 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.916 5.834 -22.798 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.361 6.853 -21.443 1.00 0.00 H new ATOM 269 N LEU A 21 -10.144 4.369 -18.812 1.00 0.00 N ATOM 270 CA LEU A 21 -9.032 3.620 -18.200 1.00 0.00 C ATOM 271 C LEU A 21 -9.511 2.362 -17.457 1.00 0.00 C ATOM 272 O LEU A 21 -8.795 1.360 -17.399 1.00 0.00 O ATOM 273 CB LEU A 21 -8.230 4.531 -17.256 1.00 0.00 C ATOM 274 CG LEU A 21 -7.255 5.481 -17.978 1.00 0.00 C ATOM 275 CD1 LEU A 21 -7.962 6.513 -18.860 1.00 0.00 C ATOM 276 CD2 LEU A 21 -6.413 6.220 -16.935 1.00 0.00 C ATOM 0 H LEU A 21 -10.345 5.272 -18.382 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.385 3.284 -19.010 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.926 5.124 -16.662 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.667 3.909 -16.560 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.635 4.866 -18.631 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.220 7.151 -19.340 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.547 6.000 -19.623 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.623 7.124 -18.246 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.720 6.894 -17.438 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.068 6.795 -16.280 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.851 5.498 -16.343 1.00 0.00 H new ATOM 288 N VAL A 22 -10.717 2.404 -16.894 1.00 0.00 N ATOM 289 CA VAL A 22 -11.289 1.218 -16.231 1.00 0.00 C ATOM 290 C VAL A 22 -11.595 0.113 -17.258 1.00 0.00 C ATOM 291 O VAL A 22 -11.198 -1.033 -17.058 1.00 0.00 O ATOM 292 CB VAL A 22 -12.516 1.641 -15.399 1.00 0.00 C ATOM 293 CG1 VAL A 22 -13.316 0.445 -14.867 1.00 0.00 C ATOM 294 CG2 VAL A 22 -12.082 2.494 -14.203 1.00 0.00 C ATOM 0 H VAL A 22 -11.315 3.230 -16.879 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.564 0.787 -15.541 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.155 2.211 -16.073 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.167 0.805 -14.289 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.673 -0.155 -15.704 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.677 -0.166 -14.229 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.960 2.785 -13.626 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.407 1.917 -13.571 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.570 3.388 -14.560 1.00 0.00 H new ATOM 304 N GLU A 23 -12.262 0.435 -18.365 1.00 0.00 N ATOM 305 CA GLU A 23 -12.497 -0.574 -19.416 1.00 0.00 C ATOM 306 C GLU A 23 -11.207 -1.128 -20.043 1.00 0.00 C ATOM 307 O GLU A 23 -11.166 -2.295 -20.425 1.00 0.00 O ATOM 308 CB GLU A 23 -13.365 0.032 -20.526 1.00 0.00 C ATOM 309 CG GLU A 23 -14.824 0.263 -20.111 1.00 0.00 C ATOM 310 CD GLU A 23 -15.575 -1.045 -19.878 1.00 0.00 C ATOM 311 OE1 GLU A 23 -15.980 -1.691 -20.868 1.00 0.00 O ATOM 312 OE2 GLU A 23 -15.763 -1.429 -18.704 1.00 0.00 O ATOM 0 H GLU A 23 -12.644 1.360 -18.562 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.000 -1.409 -18.929 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.930 0.982 -20.837 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.343 -0.628 -21.393 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.850 0.861 -19.200 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.333 0.838 -20.885 1.00 0.00 H new ATOM 319 N ASN A 24 -10.161 -0.312 -20.156 1.00 0.00 N ATOM 320 CA ASN A 24 -8.887 -0.779 -20.728 1.00 0.00 C ATOM 321 C ASN A 24 -8.136 -1.757 -19.822 1.00 0.00 C ATOM 322 O ASN A 24 -7.672 -2.798 -20.288 1.00 0.00 O ATOM 323 CB ASN A 24 -8.009 0.453 -20.959 1.00 0.00 C ATOM 324 CG ASN A 24 -7.452 0.525 -22.377 1.00 0.00 C ATOM 325 OD1 ASN A 24 -6.394 -0.023 -22.685 1.00 0.00 O ATOM 326 ND2 ASN A 24 -8.161 1.203 -23.264 1.00 0.00 N ATOM 0 H ASN A 24 -10.163 0.666 -19.865 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.109 -1.316 -21.650 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.592 1.352 -20.756 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.182 0.442 -20.249 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.834 1.280 -24.227 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.035 1.649 -22.985 1.00 0.00 H new ATOM 333 N THR A 25 -8.001 -1.432 -18.534 1.00 0.00 N ATOM 334 CA THR A 25 -7.351 -2.380 -17.607 1.00 0.00 C ATOM 335 C THR A 25 -8.154 -3.689 -17.486 1.00 0.00 C ATOM 336 O THR A 25 -7.584 -4.783 -17.507 1.00 0.00 O ATOM 337 CB THR A 25 -7.024 -1.715 -16.259 1.00 0.00 C ATOM 338 OG1 THR A 25 -6.121 -2.546 -15.545 1.00 0.00 O ATOM 339 CG2 THR A 25 -8.230 -1.431 -15.360 1.00 0.00 C ATOM 0 H THR A 25 -8.317 -0.557 -18.115 1.00 0.00 H new ATOM 0 HA THR A 25 -6.388 -2.669 -18.028 1.00 0.00 H new ATOM 0 HB THR A 25 -6.598 -0.743 -16.509 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.905 -2.130 -14.684 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.892 -0.962 -14.436 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.919 -0.762 -15.876 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.739 -2.366 -15.128 1.00 0.00 H new ATOM 347 N LYS A 26 -9.483 -3.580 -17.443 1.00 0.00 N ATOM 348 CA LYS A 26 -10.340 -4.763 -17.567 1.00 0.00 C ATOM 349 C LYS A 26 -10.189 -5.468 -18.926 1.00 0.00 C ATOM 350 O LYS A 26 -10.290 -6.692 -18.970 1.00 0.00 O ATOM 351 CB LYS A 26 -11.809 -4.357 -17.362 1.00 0.00 C ATOM 352 CG LYS A 26 -12.117 -3.797 -15.966 1.00 0.00 C ATOM 353 CD LYS A 26 -11.886 -4.831 -14.862 1.00 0.00 C ATOM 354 CE LYS A 26 -12.443 -4.374 -13.509 1.00 0.00 C ATOM 355 NZ LYS A 26 -11.720 -3.198 -12.999 1.00 0.00 N ATOM 0 H LYS A 26 -9.984 -2.700 -17.325 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.026 -5.470 -16.799 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.075 -3.609 -18.108 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.443 -5.225 -17.541 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.490 -2.925 -15.781 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.153 -3.459 -15.933 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.355 -5.773 -15.146 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.817 -5.024 -14.766 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.502 -4.136 -13.612 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.368 -5.189 -12.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.121 -2.914 -12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.714 -3.434 -12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.813 -2.413 -13.675 1.00 0.00 H new ATOM 369 N ALA A 27 -9.963 -4.751 -20.035 1.00 0.00 N ATOM 370 CA ALA A 27 -9.834 -5.432 -21.337 1.00 0.00 C ATOM 371 C ALA A 27 -8.560 -6.276 -21.467 1.00 0.00 C ATOM 372 O ALA A 27 -8.611 -7.412 -21.939 1.00 0.00 O ATOM 373 CB ALA A 27 -9.916 -4.401 -22.467 1.00 0.00 C ATOM 0 H ALA A 27 -9.868 -3.736 -20.064 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.664 -6.135 -21.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.820 -4.906 -23.428 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.876 -3.887 -22.421 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.110 -3.675 -22.357 1.00 0.00 H new ATOM 379 N GLN A 28 -7.423 -5.733 -21.037 1.00 0.00 N ATOM 380 CA GLN A 28 -6.178 -6.518 -20.992 1.00 0.00 C ATOM 381 C GLN A 28 -6.313 -7.743 -20.081 1.00 0.00 C ATOM 382 O GLN A 28 -6.030 -8.869 -20.493 1.00 0.00 O ATOM 383 CB GLN A 28 -5.054 -5.665 -20.404 1.00 0.00 C ATOM 384 CG GLN A 28 -4.609 -4.481 -21.271 1.00 0.00 C ATOM 385 CD GLN A 28 -3.680 -3.594 -20.453 1.00 0.00 C ATOM 386 OE1 GLN A 28 -4.226 -2.999 -19.407 1.00 0.00 O flip ATOM 387 NE2 GLN A 28 -2.485 -3.468 -20.724 1.00 0.00 N flip ATOM 0 H GLN A 28 -7.331 -4.768 -20.718 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.964 -6.832 -22.014 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.378 -5.284 -19.436 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.191 -6.306 -20.222 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.098 -4.839 -22.165 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.476 -3.912 -21.606 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.094 -3.941 -21.539 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.886 -2.891 -20.133 1.00 0.00 H new ATOM 396 N ALA A 29 -6.741 -7.517 -18.838 1.00 0.00 N ATOM 397 CA ALA A 29 -6.936 -8.634 -17.897 1.00 0.00 C ATOM 398 C ALA A 29 -7.946 -9.680 -18.413 1.00 0.00 C ATOM 399 O ALA A 29 -7.768 -10.879 -18.201 1.00 0.00 O ATOM 400 CB ALA A 29 -7.355 -8.037 -16.554 1.00 0.00 C ATOM 0 H ALA A 29 -6.957 -6.594 -18.460 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.002 -9.186 -17.786 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.508 -8.839 -15.831 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.574 -7.368 -16.193 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.282 -7.478 -16.678 1.00 0.00 H new ATOM 406 N ALA A 30 -9.009 -9.233 -19.078 1.00 0.00 N ATOM 407 CA ALA A 30 -10.129 -10.131 -19.419 1.00 0.00 C ATOM 408 C ALA A 30 -9.899 -10.995 -20.669 1.00 0.00 C ATOM 409 O ALA A 30 -10.185 -12.193 -20.636 1.00 0.00 O ATOM 410 CB ALA A 30 -11.412 -9.314 -19.592 1.00 0.00 C ATOM 0 H ALA A 30 -9.126 -8.269 -19.391 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.214 -10.827 -18.585 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.237 -9.981 -19.844 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.639 -8.791 -18.663 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.275 -8.587 -20.393 1.00 0.00 H new ATOM 416 N SER A 31 -9.349 -10.443 -21.755 1.00 0.00 N ATOM 417 CA SER A 31 -8.915 -11.281 -22.893 1.00 0.00 C ATOM 418 C SER A 31 -7.880 -12.367 -22.547 1.00 0.00 C ATOM 419 O SER A 31 -7.765 -13.365 -23.262 1.00 0.00 O ATOM 420 CB SER A 31 -8.353 -10.361 -23.981 1.00 0.00 C ATOM 421 OG SER A 31 -7.199 -9.671 -23.513 1.00 0.00 O ATOM 0 H SER A 31 -9.193 -9.442 -21.876 1.00 0.00 H new ATOM 0 HA SER A 31 -9.796 -11.827 -23.229 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.098 -10.948 -24.864 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.114 -9.642 -24.284 1.00 0.00 H new ATOM 0 HG SER A 31 -7.475 -8.907 -22.964 1.00 0.00 H new ATOM 427 N LYS A 32 -7.174 -12.216 -21.430 1.00 0.00 N ATOM 428 CA LYS A 32 -6.327 -13.289 -20.912 1.00 0.00 C ATOM 429 C LYS A 32 -7.188 -14.218 -20.047 1.00 0.00 C ATOM 430 O LYS A 32 -7.891 -15.093 -20.551 1.00 0.00 O ATOM 431 CB LYS A 32 -5.156 -12.621 -20.168 1.00 0.00 C ATOM 432 CG LYS A 32 -4.199 -11.876 -21.107 1.00 0.00 C ATOM 433 CD LYS A 32 -3.071 -11.200 -20.326 1.00 0.00 C ATOM 434 CE LYS A 32 -2.138 -10.425 -21.261 1.00 0.00 C ATOM 435 NZ LYS A 32 -1.065 -9.779 -20.488 1.00 0.00 N ATOM 0 H LYS A 32 -7.170 -11.365 -20.867 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.900 -13.921 -21.691 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.552 -11.922 -19.431 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.600 -13.381 -19.619 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.777 -12.575 -21.829 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.752 -11.127 -21.674 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.494 -10.521 -19.585 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.501 -11.952 -19.781 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.707 -11.101 -21.999 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.704 -9.673 -21.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.439 -9.256 -21.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.481 -9.120 -19.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.516 -10.504 -19.984 1.00 0.00 H new ATOM 449 N LYS A 33 -7.092 -14.038 -18.742 1.00 0.00 N ATOM 450 CA LYS A 33 -7.689 -14.990 -17.786 1.00 0.00 C ATOM 451 C LYS A 33 -7.948 -14.382 -16.395 1.00 0.00 C ATOM 452 O LYS A 33 -8.068 -15.083 -15.390 1.00 0.00 O ATOM 453 CB LYS A 33 -6.710 -16.166 -17.662 1.00 0.00 C ATOM 454 CG LYS A 33 -7.369 -17.509 -17.337 1.00 0.00 C ATOM 455 CD LYS A 33 -8.325 -17.930 -18.456 1.00 0.00 C ATOM 456 CE LYS A 33 -8.996 -19.270 -18.151 1.00 0.00 C ATOM 457 NZ LYS A 33 -9.900 -19.648 -19.249 1.00 0.00 N ATOM 0 H LYS A 33 -6.611 -13.250 -18.309 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.665 -15.296 -18.161 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.158 -16.263 -18.597 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.982 -15.935 -16.885 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.602 -18.272 -17.201 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.914 -17.434 -16.396 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.088 -17.163 -18.591 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.777 -18.003 -19.395 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.238 -20.041 -18.012 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.555 -19.201 -17.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.350 -20.560 -19.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.633 -18.919 -19.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.357 -19.733 -20.132 1.00 0.00 H new ATOM 471 N VAL A 34 -7.987 -13.060 -16.355 1.00 0.00 N ATOM 472 CA VAL A 34 -7.957 -12.325 -15.082 1.00 0.00 C ATOM 473 C VAL A 34 -9.093 -11.291 -15.034 1.00 0.00 C ATOM 474 O VAL A 34 -9.046 -10.274 -15.720 1.00 0.00 O ATOM 475 CB VAL A 34 -6.609 -11.606 -14.879 1.00 0.00 C ATOM 476 CG1 VAL A 34 -6.572 -10.966 -13.490 1.00 0.00 C ATOM 477 CG2 VAL A 34 -5.393 -12.528 -15.000 1.00 0.00 C ATOM 0 H VAL A 34 -8.039 -12.467 -17.183 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.088 -13.053 -14.282 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.545 -10.864 -15.675 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.618 -10.458 -13.349 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.384 -10.244 -13.400 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.688 -11.739 -12.730 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.482 -11.950 -14.845 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.456 -13.314 -14.248 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.374 -12.976 -15.993 1.00 0.00 H new ATOM 487 N LYS A 35 -10.091 -11.510 -14.185 1.00 0.00 N ATOM 488 CA LYS A 35 -11.045 -10.415 -13.897 1.00 0.00 C ATOM 489 C LYS A 35 -10.632 -9.771 -12.576 1.00 0.00 C ATOM 490 O LYS A 35 -10.353 -10.439 -11.579 1.00 0.00 O ATOM 491 CB LYS A 35 -12.490 -10.924 -13.838 1.00 0.00 C ATOM 492 CG LYS A 35 -13.589 -9.853 -13.893 1.00 0.00 C ATOM 493 CD LYS A 35 -14.974 -10.499 -13.796 1.00 0.00 C ATOM 494 CE LYS A 35 -16.080 -9.443 -13.844 1.00 0.00 C ATOM 495 NZ LYS A 35 -17.400 -10.082 -13.746 1.00 0.00 N ATOM 0 H LYS A 35 -10.268 -12.388 -13.698 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.014 -9.679 -14.700 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.644 -11.615 -14.666 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.615 -11.496 -12.918 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.454 -9.143 -13.077 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.509 -9.289 -14.822 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -15.107 -11.206 -14.615 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.049 -11.067 -12.869 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.950 -8.733 -13.027 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.011 -8.876 -14.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.142 -9.354 -13.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.526 -10.742 -14.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.468 -10.603 -12.849 1.00 0.00 H new ATOM 509 N PHE A 36 -10.632 -8.446 -12.581 1.00 0.00 N ATOM 510 CA PHE A 36 -10.365 -7.696 -11.340 1.00 0.00 C ATOM 511 C PHE A 36 -11.706 -7.474 -10.617 1.00 0.00 C ATOM 512 O PHE A 36 -12.744 -7.231 -11.234 1.00 0.00 O ATOM 513 CB PHE A 36 -9.552 -6.399 -11.554 1.00 0.00 C ATOM 514 CG PHE A 36 -8.203 -6.546 -12.267 1.00 0.00 C ATOM 515 CD1 PHE A 36 -7.299 -7.522 -11.953 1.00 0.00 C ATOM 516 CD2 PHE A 36 -7.868 -5.615 -13.204 1.00 0.00 C ATOM 517 CE1 PHE A 36 -6.115 -7.594 -12.618 1.00 0.00 C ATOM 518 CE2 PHE A 36 -6.684 -5.686 -13.861 1.00 0.00 C ATOM 519 CZ PHE A 36 -5.812 -6.684 -13.577 1.00 0.00 C ATOM 0 H PHE A 36 -10.808 -7.870 -13.404 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.708 -8.288 -10.703 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.166 -5.702 -12.125 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.375 -5.943 -10.580 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.525 -8.237 -11.176 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.554 -4.811 -13.426 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.413 -8.380 -12.381 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.436 -4.948 -14.610 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.877 -6.755 -14.114 1.00 0.00 H new ATOM 529 N VAL A 37 -11.676 -7.613 -9.293 1.00 0.00 N ATOM 530 CA VAL A 37 -12.918 -7.681 -8.492 1.00 0.00 C ATOM 531 C VAL A 37 -13.032 -6.520 -7.491 1.00 0.00 C ATOM 532 O VAL A 37 -14.139 -6.115 -7.135 1.00 0.00 O ATOM 533 CB VAL A 37 -13.041 -9.020 -7.720 1.00 0.00 C ATOM 534 CG1 VAL A 37 -14.410 -9.171 -7.062 1.00 0.00 C ATOM 535 CG2 VAL A 37 -12.849 -10.250 -8.604 1.00 0.00 C ATOM 0 H VAL A 37 -10.817 -7.681 -8.747 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.732 -7.607 -9.213 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.245 -8.973 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.456 -10.122 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.567 -8.354 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -15.186 -9.145 -7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.948 -11.152 -7.999 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.605 -10.255 -9.390 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.857 -10.223 -9.055 1.00 0.00 H new ATOM 545 N ASP A 38 -11.905 -6.023 -6.985 1.00 0.00 N ATOM 546 CA ASP A 38 -11.924 -5.223 -5.752 1.00 0.00 C ATOM 547 C ASP A 38 -11.325 -3.859 -6.074 1.00 0.00 C ATOM 548 O ASP A 38 -10.204 -3.752 -6.573 1.00 0.00 O ATOM 549 CB ASP A 38 -11.173 -5.911 -4.600 1.00 0.00 C ATOM 550 CG ASP A 38 -11.626 -7.350 -4.371 1.00 0.00 C ATOM 551 OD1 ASP A 38 -11.084 -8.254 -5.042 1.00 0.00 O ATOM 552 OD2 ASP A 38 -12.519 -7.587 -3.529 1.00 0.00 O ATOM 0 H ASP A 38 -10.981 -6.154 -7.397 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.952 -5.112 -5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.104 -5.902 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.321 -5.339 -3.684 1.00 0.00 H new ATOM 557 N GLN A 39 -12.118 -2.813 -5.868 1.00 0.00 N ATOM 558 CA GLN A 39 -11.774 -1.500 -6.434 1.00 0.00 C ATOM 559 C GLN A 39 -11.491 -0.549 -5.292 1.00 0.00 C ATOM 560 O GLN A 39 -12.313 -0.362 -4.394 1.00 0.00 O ATOM 561 CB GLN A 39 -12.903 -0.903 -7.288 1.00 0.00 C ATOM 562 CG GLN A 39 -13.636 -1.959 -8.113 1.00 0.00 C ATOM 563 CD GLN A 39 -14.579 -1.340 -9.139 1.00 0.00 C ATOM 564 OE1 GLN A 39 -15.709 -0.962 -8.828 1.00 0.00 O ATOM 565 NE2 GLN A 39 -14.131 -1.229 -10.376 1.00 0.00 N ATOM 0 H GLN A 39 -12.983 -2.838 -5.329 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.908 -1.638 -7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.616 -0.396 -6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.488 -0.149 -7.956 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.907 -2.587 -8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.204 -2.608 -7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.191 -1.550 -10.609 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.725 -0.823 -11.099 1.00 0.00 H new ATOM 574 N PHE A 40 -10.307 0.046 -5.333 1.00 0.00 N ATOM 575 CA PHE A 40 -9.923 0.961 -4.258 1.00 0.00 C ATOM 576 C PHE A 40 -9.487 2.277 -4.898 1.00 0.00 C ATOM 577 O PHE A 40 -8.562 2.322 -5.708 1.00 0.00 O ATOM 578 CB PHE A 40 -8.837 0.352 -3.357 1.00 0.00 C ATOM 579 CG PHE A 40 -9.262 -0.814 -2.466 1.00 0.00 C ATOM 580 CD1 PHE A 40 -10.512 -0.915 -1.930 1.00 0.00 C ATOM 581 CD2 PHE A 40 -8.329 -1.759 -2.159 1.00 0.00 C ATOM 582 CE1 PHE A 40 -10.829 -1.957 -1.117 1.00 0.00 C ATOM 583 CE2 PHE A 40 -8.647 -2.801 -1.346 1.00 0.00 C ATOM 584 CZ PHE A 40 -9.897 -2.901 -0.827 1.00 0.00 C ATOM 0 H PHE A 40 -9.614 -0.079 -6.071 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.771 1.147 -3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.018 0.015 -3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.441 1.142 -2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.254 -0.163 -2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.331 -1.679 -2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.823 -2.034 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.904 -3.550 -1.113 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.150 -3.731 -0.184 1.00 0.00 H new ATOM 594 N LEU A 41 -10.175 3.359 -4.552 1.00 0.00 N ATOM 595 CA LEU A 41 -9.721 4.688 -4.961 1.00 0.00 C ATOM 596 C LEU A 41 -8.777 5.196 -3.869 1.00 0.00 C ATOM 597 O LEU A 41 -8.906 4.847 -2.694 1.00 0.00 O ATOM 598 CB LEU A 41 -10.939 5.611 -5.108 1.00 0.00 C ATOM 599 CG LEU A 41 -11.682 5.496 -6.453 1.00 0.00 C ATOM 600 CD1 LEU A 41 -12.207 4.086 -6.744 1.00 0.00 C ATOM 601 CD2 LEU A 41 -12.867 6.466 -6.466 1.00 0.00 C ATOM 0 H LEU A 41 -11.033 3.348 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.201 4.662 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.640 5.394 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.613 6.643 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.954 5.739 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.719 4.080 -7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.372 3.386 -6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.904 3.788 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.393 6.385 -7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.549 6.219 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.504 7.486 -6.338 1.00 0.00 H new ATOM 613 N ILE A 42 -7.806 6.017 -4.251 1.00 0.00 N ATOM 614 CA ILE A 42 -6.810 6.495 -3.278 1.00 0.00 C ATOM 615 C ILE A 42 -7.411 7.350 -2.148 1.00 0.00 C ATOM 616 O ILE A 42 -7.022 7.201 -0.988 1.00 0.00 O ATOM 617 CB ILE A 42 -5.638 7.131 -4.058 1.00 0.00 C ATOM 618 CG1 ILE A 42 -4.411 7.395 -3.184 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.997 8.445 -4.758 1.00 0.00 C ATOM 620 CD1 ILE A 42 -4.039 6.192 -2.317 1.00 0.00 C ATOM 0 H ILE A 42 -7.681 6.363 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.407 5.655 -2.713 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.406 6.378 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.565 7.655 -3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.604 8.255 -2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.122 8.828 -5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.801 8.269 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.324 9.175 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.162 6.433 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.872 5.946 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.817 5.337 -2.956 1.00 0.00 H new ATOM 632 N ASN A 43 -8.376 8.216 -2.455 1.00 0.00 N ATOM 633 CA ASN A 43 -9.023 9.009 -1.394 1.00 0.00 C ATOM 634 C ASN A 43 -10.059 8.206 -0.584 1.00 0.00 C ATOM 635 O ASN A 43 -10.230 8.462 0.607 1.00 0.00 O ATOM 636 CB ASN A 43 -9.708 10.238 -2.015 1.00 0.00 C ATOM 637 CG ASN A 43 -8.728 11.196 -2.691 1.00 0.00 C ATOM 638 OD1 ASN A 43 -8.464 11.108 -3.889 1.00 0.00 O ATOM 639 ND2 ASN A 43 -8.178 12.125 -1.932 1.00 0.00 N ATOM 0 H ASN A 43 -8.724 8.389 -3.398 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.237 9.310 -0.702 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.444 9.905 -2.747 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.252 10.774 -1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.519 12.790 -2.337 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.412 12.178 -0.941 1.00 0.00 H new ATOM 646 N LYS A 44 -10.724 7.217 -1.185 1.00 0.00 N ATOM 647 CA LYS A 44 -11.722 6.432 -0.448 1.00 0.00 C ATOM 648 C LYS A 44 -11.097 5.337 0.430 1.00 0.00 C ATOM 649 O LYS A 44 -11.636 5.035 1.494 1.00 0.00 O ATOM 650 CB LYS A 44 -12.723 5.816 -1.433 1.00 0.00 C ATOM 651 CG LYS A 44 -13.612 6.865 -2.111 1.00 0.00 C ATOM 652 CD LYS A 44 -14.698 6.192 -2.953 1.00 0.00 C ATOM 653 CE LYS A 44 -15.573 7.230 -3.658 1.00 0.00 C ATOM 654 NZ LYS A 44 -16.607 6.563 -4.465 1.00 0.00 N ATOM 0 H LYS A 44 -10.596 6.943 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.234 7.116 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.179 5.259 -2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.352 5.100 -0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.073 7.501 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.003 7.511 -2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.236 5.539 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.318 5.562 -2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.042 7.882 -2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.956 7.863 -4.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.194 7.279 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.153 5.960 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.205 5.978 -3.848 1.00 0.00 H new ATOM 668 N LEU A 45 -9.975 4.737 0.026 1.00 0.00 N ATOM 669 CA LEU A 45 -9.334 3.726 0.891 1.00 0.00 C ATOM 670 C LEU A 45 -8.626 4.354 2.098 1.00 0.00 C ATOM 671 O LEU A 45 -8.713 3.862 3.225 1.00 0.00 O ATOM 672 CB LEU A 45 -8.247 3.021 0.072 1.00 0.00 C ATOM 673 CG LEU A 45 -7.700 1.737 0.721 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.794 0.686 0.931 1.00 0.00 C ATOM 675 CD2 LEU A 45 -6.586 1.148 -0.148 1.00 0.00 C ATOM 0 H LEU A 45 -9.501 4.919 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.116 3.053 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.650 2.775 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.421 3.714 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.307 2.009 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.362 -0.202 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.568 1.092 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.232 0.420 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.203 0.240 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.982 0.911 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.778 1.874 -0.245 1.00 0.00 H new ATOM 687 N ASN A 46 -7.962 5.475 1.842 1.00 0.00 N ATOM 688 CA ASN A 46 -7.276 6.215 2.916 1.00 0.00 C ATOM 689 C ASN A 46 -8.255 6.978 3.836 1.00 0.00 C ATOM 690 O ASN A 46 -7.905 7.291 4.975 1.00 0.00 O ATOM 691 CB ASN A 46 -6.239 7.137 2.254 1.00 0.00 C ATOM 692 CG ASN A 46 -5.405 7.939 3.254 1.00 0.00 C ATOM 693 OD1 ASN A 46 -4.347 7.340 3.770 1.00 0.00 O flip ATOM 694 ND2 ASN A 46 -5.702 9.092 3.562 1.00 0.00 N flip ATOM 0 H ASN A 46 -7.879 5.894 0.916 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.773 5.515 3.583 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.571 6.535 1.637 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.754 7.828 1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.524 9.534 3.150 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.126 9.606 4.229 1.00 0.00 H new ATOM 701 N ASP A 47 -9.478 7.251 3.381 1.00 0.00 N ATOM 702 CA ASP A 47 -10.502 7.813 4.279 1.00 0.00 C ATOM 703 C ASP A 47 -11.194 6.714 5.108 1.00 0.00 C ATOM 704 O ASP A 47 -11.511 6.940 6.278 1.00 0.00 O ATOM 705 CB ASP A 47 -11.509 8.653 3.474 1.00 0.00 C ATOM 706 CG ASP A 47 -12.540 9.349 4.356 1.00 0.00 C ATOM 707 OD1 ASP A 47 -12.217 10.405 4.944 1.00 0.00 O ATOM 708 OD2 ASP A 47 -13.679 8.844 4.467 1.00 0.00 O ATOM 0 H ASP A 47 -9.785 7.099 2.420 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.011 8.473 4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.969 9.402 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.024 8.009 2.761 1.00 0.00 H new ATOM 713 N GLY A 48 -11.438 5.538 4.525 1.00 0.00 N ATOM 714 CA GLY A 48 -12.054 4.438 5.285 1.00 0.00 C ATOM 715 C GLY A 48 -13.422 3.973 4.760 1.00 0.00 C ATOM 716 O GLY A 48 -14.145 3.278 5.476 1.00 0.00 O ATOM 0 H GLY A 48 -11.226 5.321 3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.372 3.588 5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.167 4.752 6.323 1.00 0.00 H new ATOM 720 N SER A 49 -13.801 4.345 3.539 1.00 0.00 N ATOM 721 CA SER A 49 -15.130 3.981 3.017 1.00 0.00 C ATOM 722 C SER A 49 -15.251 2.514 2.567 1.00 0.00 C ATOM 723 O SER A 49 -16.334 1.934 2.656 1.00 0.00 O ATOM 724 CB SER A 49 -15.468 4.904 1.842 1.00 0.00 C ATOM 725 OG SER A 49 -15.480 6.261 2.264 1.00 0.00 O ATOM 0 H SER A 49 -13.224 4.889 2.897 1.00 0.00 H new ATOM 0 HA SER A 49 -15.834 4.102 3.840 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.736 4.771 1.045 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.441 4.636 1.430 1.00 0.00 H new ATOM 0 HG SER A 49 -15.696 6.839 1.502 1.00 0.00 H new ATOM 731 N ILE A 50 -14.169 1.913 2.072 1.00 0.00 N ATOM 732 CA ILE A 50 -14.277 0.617 1.381 1.00 0.00 C ATOM 733 C ILE A 50 -13.541 -0.438 2.198 1.00 0.00 C ATOM 734 O ILE A 50 -12.339 -0.341 2.452 1.00 0.00 O ATOM 735 CB ILE A 50 -13.653 0.652 -0.028 1.00 0.00 C ATOM 736 CG1 ILE A 50 -13.935 1.984 -0.733 1.00 0.00 C ATOM 737 CG2 ILE A 50 -14.128 -0.546 -0.862 1.00 0.00 C ATOM 738 CD1 ILE A 50 -13.327 2.017 -2.124 1.00 0.00 C ATOM 0 H ILE A 50 -13.223 2.289 2.132 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.337 0.385 1.280 1.00 0.00 H new ATOM 0 HB ILE A 50 -12.571 0.573 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.012 2.140 -0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.532 2.804 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.676 -0.502 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.833 -1.472 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.213 -0.516 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.546 2.975 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.247 1.887 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.750 1.212 -2.725 1.00 0.00 H new ATOM 750 N THR A 51 -14.292 -1.450 2.608 1.00 0.00 N ATOM 751 CA THR A 51 -13.668 -2.617 3.247 1.00 0.00 C ATOM 752 C THR A 51 -14.034 -3.870 2.460 1.00 0.00 C ATOM 753 O THR A 51 -15.201 -4.248 2.341 1.00 0.00 O ATOM 754 CB THR A 51 -14.074 -2.771 4.720 1.00 0.00 C ATOM 755 OG1 THR A 51 -13.637 -1.634 5.453 1.00 0.00 O ATOM 756 CG2 THR A 51 -13.436 -4.027 5.329 1.00 0.00 C ATOM 0 H THR A 51 -15.307 -1.496 2.517 1.00 0.00 H new ATOM 0 HA THR A 51 -12.588 -2.468 3.238 1.00 0.00 H new ATOM 0 HB THR A 51 -15.159 -2.861 4.771 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.897 -1.731 6.393 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.736 -4.118 6.373 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.768 -4.907 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.350 -3.949 5.269 1.00 0.00 H new ATOM 764 N LEU A 52 -12.997 -4.532 1.965 1.00 0.00 N ATOM 765 CA LEU A 52 -13.166 -5.872 1.393 1.00 0.00 C ATOM 766 C LEU A 52 -12.238 -6.824 2.170 1.00 0.00 C ATOM 767 O LEU A 52 -11.819 -6.540 3.295 1.00 0.00 O ATOM 768 CB LEU A 52 -12.900 -5.790 -0.124 1.00 0.00 C ATOM 769 CG LEU A 52 -13.924 -4.905 -0.862 1.00 0.00 C ATOM 770 CD1 LEU A 52 -13.453 -4.617 -2.287 1.00 0.00 C ATOM 771 CD2 LEU A 52 -15.307 -5.560 -0.909 1.00 0.00 C ATOM 0 H LEU A 52 -12.042 -4.175 1.945 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.177 -6.268 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.898 -5.396 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.922 -6.794 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.003 -3.971 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.188 -3.991 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.495 -4.099 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.340 -5.556 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -16.001 -4.906 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -15.240 -6.515 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.666 -5.726 0.107 1.00 0.00 H new ATOM 783 N GLU A 53 -11.949 -7.983 1.596 1.00 0.00 N ATOM 784 CA GLU A 53 -11.275 -9.048 2.351 1.00 0.00 C ATOM 785 C GLU A 53 -9.768 -9.068 2.058 1.00 0.00 C ATOM 786 O GLU A 53 -9.248 -8.372 1.183 1.00 0.00 O ATOM 787 CB GLU A 53 -11.915 -10.401 1.990 1.00 0.00 C ATOM 788 CG GLU A 53 -13.382 -10.497 2.424 1.00 0.00 C ATOM 789 CD GLU A 53 -13.971 -11.857 2.075 1.00 0.00 C ATOM 790 OE1 GLU A 53 -14.500 -12.017 0.953 1.00 0.00 O ATOM 791 OE2 GLU A 53 -13.911 -12.776 2.920 1.00 0.00 O ATOM 0 H GLU A 53 -12.163 -8.215 0.626 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.397 -8.858 3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.849 -10.554 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.348 -11.204 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.458 -10.330 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.960 -9.712 1.937 1.00 0.00 H new ATOM 798 N ASN A 54 -9.067 -9.862 2.857 1.00 0.00 N ATOM 799 CA ASN A 54 -7.596 -9.846 2.869 1.00 0.00 C ATOM 800 C ASN A 54 -7.069 -11.201 2.377 1.00 0.00 C ATOM 801 O ASN A 54 -6.578 -12.004 3.172 1.00 0.00 O ATOM 802 CB ASN A 54 -7.184 -9.585 4.332 1.00 0.00 C ATOM 803 CG ASN A 54 -7.487 -8.161 4.793 1.00 0.00 C ATOM 804 OD1 ASN A 54 -8.514 -7.890 5.414 1.00 0.00 O ATOM 805 ND2 ASN A 54 -6.599 -7.232 4.494 1.00 0.00 N ATOM 0 H ASN A 54 -9.486 -10.527 3.507 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.184 -9.079 2.213 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.704 -10.289 4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.117 -9.777 4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.757 -6.265 4.779 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.755 -7.481 3.978 1.00 0.00 H new ATOM 812 N ALA A 55 -7.195 -11.500 1.078 1.00 0.00 N ATOM 813 CA ALA A 55 -6.902 -12.873 0.631 1.00 0.00 C ATOM 814 C ALA A 55 -6.595 -13.056 -0.868 1.00 0.00 C ATOM 815 O ALA A 55 -5.426 -13.194 -1.232 1.00 0.00 O ATOM 816 CB ALA A 55 -8.053 -13.781 1.078 1.00 0.00 C ATOM 0 H ALA A 55 -7.483 -10.849 0.348 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.960 -13.150 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.856 -14.804 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.138 -13.752 2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.985 -13.434 0.632 1.00 0.00 H new ATOM 822 N LYS A 56 -7.614 -13.293 -1.705 1.00 0.00 N ATOM 823 CA LYS A 56 -7.370 -13.945 -3.010 1.00 0.00 C ATOM 824 C LYS A 56 -7.236 -13.018 -4.220 1.00 0.00 C ATOM 825 O LYS A 56 -7.784 -13.275 -5.290 1.00 0.00 O ATOM 826 CB LYS A 56 -8.418 -15.029 -3.294 1.00 0.00 C ATOM 827 CG LYS A 56 -8.265 -16.206 -2.335 1.00 0.00 C ATOM 828 CD LYS A 56 -8.878 -17.481 -2.922 1.00 0.00 C ATOM 829 CE LYS A 56 -8.702 -18.672 -1.979 1.00 0.00 C ATOM 830 NZ LYS A 56 -9.319 -19.875 -2.560 1.00 0.00 N ATOM 0 H LYS A 56 -8.588 -13.054 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.381 -14.387 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.418 -14.606 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.316 -15.378 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.209 -16.371 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.747 -15.971 -1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.939 -17.321 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.410 -17.703 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.642 -18.849 -1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.157 -18.451 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.193 -20.678 -1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.334 -19.707 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.866 -20.092 -3.471 1.00 0.00 H new ATOM 844 N TYR A 57 -6.502 -11.934 -4.059 1.00 0.00 N ATOM 845 CA TYR A 57 -6.478 -10.879 -5.087 1.00 0.00 C ATOM 846 C TYR A 57 -5.092 -10.807 -5.762 1.00 0.00 C ATOM 847 O TYR A 57 -4.697 -9.702 -6.135 1.00 0.00 O ATOM 848 CB TYR A 57 -6.902 -9.479 -4.628 1.00 0.00 C ATOM 849 CG TYR A 57 -8.121 -9.421 -3.703 1.00 0.00 C ATOM 850 CD1 TYR A 57 -9.171 -10.286 -3.830 1.00 0.00 C ATOM 851 CD2 TYR A 57 -8.170 -8.452 -2.747 1.00 0.00 C ATOM 852 CE1 TYR A 57 -10.218 -10.223 -2.964 1.00 0.00 C ATOM 853 CE2 TYR A 57 -9.227 -8.376 -1.900 1.00 0.00 C ATOM 854 CZ TYR A 57 -10.245 -9.270 -1.998 1.00 0.00 C ATOM 855 OH TYR A 57 -11.319 -9.185 -1.154 1.00 0.00 O ATOM 0 H TYR A 57 -5.918 -11.750 -3.243 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.245 -11.188 -5.797 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.059 -9.014 -4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.111 -8.875 -5.511 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.170 -11.022 -4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.362 -7.740 -2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.029 -10.932 -3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.259 -7.603 -1.146 1.00 0.00 H new ATOM 0 HH TYR A 57 -12.036 -8.676 -1.587 1.00 0.00 H new ATOM 865 N GLU A 58 -4.281 -11.876 -5.715 1.00 0.00 N ATOM 866 CA GLU A 58 -2.807 -11.796 -5.895 1.00 0.00 C ATOM 867 C GLU A 58 -2.286 -11.266 -7.257 1.00 0.00 C ATOM 868 O GLU A 58 -1.166 -11.562 -7.676 1.00 0.00 O ATOM 869 CB GLU A 58 -2.206 -13.200 -5.680 1.00 0.00 C ATOM 870 CG GLU A 58 -2.653 -13.879 -4.377 1.00 0.00 C ATOM 871 CD GLU A 58 -2.043 -15.266 -4.241 1.00 0.00 C ATOM 872 OE1 GLU A 58 -0.843 -15.366 -3.906 1.00 0.00 O ATOM 873 OE2 GLU A 58 -2.761 -16.266 -4.464 1.00 0.00 O ATOM 0 H GLU A 58 -4.620 -12.824 -5.552 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.491 -11.055 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.483 -13.835 -6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.119 -13.123 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.360 -13.265 -3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.740 -13.954 -4.357 1.00 0.00 H new ATOM 880 N THR A 59 -3.059 -10.391 -7.886 1.00 0.00 N ATOM 881 CA THR A 59 -2.565 -9.554 -8.993 1.00 0.00 C ATOM 882 C THR A 59 -3.053 -8.135 -8.739 1.00 0.00 C ATOM 883 O THR A 59 -4.248 -7.861 -8.639 1.00 0.00 O ATOM 884 CB THR A 59 -2.981 -10.047 -10.387 1.00 0.00 C ATOM 885 OG1 THR A 59 -2.487 -9.153 -11.378 1.00 0.00 O ATOM 886 CG2 THR A 59 -4.481 -10.233 -10.589 1.00 0.00 C ATOM 0 H THR A 59 -4.040 -10.235 -7.653 1.00 0.00 H new ATOM 0 HA THR A 59 -1.476 -9.605 -9.006 1.00 0.00 H new ATOM 0 HB THR A 59 -2.542 -11.040 -10.482 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.752 -9.471 -12.266 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.671 -10.583 -11.604 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.856 -10.967 -9.876 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.990 -9.282 -10.432 1.00 0.00 H new ATOM 894 N VAL A 60 -2.090 -7.260 -8.516 1.00 0.00 N ATOM 895 CA VAL A 60 -2.379 -5.954 -7.918 1.00 0.00 C ATOM 896 C VAL A 60 -1.941 -4.896 -8.948 1.00 0.00 C ATOM 897 O VAL A 60 -0.752 -4.746 -9.217 1.00 0.00 O ATOM 898 CB VAL A 60 -1.524 -5.885 -6.648 1.00 0.00 C ATOM 899 CG1 VAL A 60 -1.523 -4.520 -5.985 1.00 0.00 C ATOM 900 CG2 VAL A 60 -1.979 -6.914 -5.624 1.00 0.00 C ATOM 0 H VAL A 60 -1.107 -7.420 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.428 -5.793 -7.668 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.508 -6.096 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.897 -4.549 -5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.130 -3.778 -6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.541 -4.251 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.354 -6.842 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.018 -6.725 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.891 -7.914 -6.049 1.00 0.00 H new ATOM 910 N HIS A 61 -2.884 -4.193 -9.558 1.00 0.00 N ATOM 911 CA HIS A 61 -2.538 -3.179 -10.574 1.00 0.00 C ATOM 912 C HIS A 61 -2.773 -1.777 -9.971 1.00 0.00 C ATOM 913 O HIS A 61 -3.821 -1.541 -9.373 1.00 0.00 O ATOM 914 CB HIS A 61 -3.413 -3.471 -11.828 1.00 0.00 C ATOM 915 CG HIS A 61 -2.675 -4.436 -12.737 1.00 0.00 C ATOM 916 ND1 HIS A 61 -2.705 -5.820 -12.615 1.00 0.00 N ATOM 917 CD2 HIS A 61 -1.658 -4.036 -13.602 1.00 0.00 C ATOM 918 CE1 HIS A 61 -1.677 -6.124 -13.474 1.00 0.00 C ATOM 919 NE2 HIS A 61 -1.039 -5.130 -14.161 1.00 0.00 N ATOM 0 H HIS A 61 -3.883 -4.295 -9.379 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.491 -3.216 -10.875 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.371 -3.896 -11.527 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.629 -2.544 -12.360 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.307 -6.426 -12.057 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.393 -3.009 -13.805 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.372 -7.152 -13.607 1.00 0.00 H new ATOM 927 N TYR A 62 -1.836 -0.824 -10.136 1.00 0.00 N ATOM 928 CA TYR A 62 -2.052 0.544 -9.618 1.00 0.00 C ATOM 929 C TYR A 62 -1.925 1.568 -10.757 1.00 0.00 C ATOM 930 O TYR A 62 -0.842 1.769 -11.309 1.00 0.00 O ATOM 931 CB TYR A 62 -1.081 0.932 -8.485 1.00 0.00 C ATOM 932 CG TYR A 62 -1.608 1.907 -7.457 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.044 3.130 -7.857 1.00 0.00 C ATOM 934 CD2 TYR A 62 -1.499 1.627 -6.131 1.00 0.00 C ATOM 935 CE1 TYR A 62 -2.457 4.042 -6.941 1.00 0.00 C ATOM 936 CE2 TYR A 62 -1.905 2.543 -5.216 1.00 0.00 C ATOM 937 CZ TYR A 62 -2.388 3.747 -5.620 1.00 0.00 C ATOM 938 OH TYR A 62 -2.761 4.684 -4.696 1.00 0.00 O ATOM 0 H TYR A 62 -0.944 -0.967 -10.610 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.059 0.552 -9.200 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.776 0.022 -7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.184 1.359 -8.934 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.062 3.377 -8.908 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.091 0.681 -5.808 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.839 4.999 -7.263 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.844 2.314 -4.162 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.139 4.663 -3.939 1.00 0.00 H new ATOM 948 N LEU A 63 -3.036 2.180 -11.138 1.00 0.00 N ATOM 949 CA LEU A 63 -3.079 3.010 -12.341 1.00 0.00 C ATOM 950 C LEU A 63 -3.325 4.474 -11.948 1.00 0.00 C ATOM 951 O LEU A 63 -4.453 4.856 -11.632 1.00 0.00 O ATOM 952 CB LEU A 63 -4.241 2.464 -13.185 1.00 0.00 C ATOM 953 CG LEU A 63 -3.807 1.484 -14.282 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.104 0.239 -13.731 1.00 0.00 C ATOM 955 CD2 LEU A 63 -5.055 1.048 -15.042 1.00 0.00 C ATOM 0 H LEU A 63 -3.921 2.120 -10.635 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.143 2.978 -12.899 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.952 1.965 -12.527 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.766 3.300 -13.646 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.091 1.996 -14.925 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.822 -0.415 -14.556 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.210 0.538 -13.183 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.779 -0.293 -13.061 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.775 0.349 -15.830 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.748 0.562 -14.355 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.535 1.921 -15.485 1.00 0.00 H new ATOM 967 N THR A 64 -2.266 5.288 -11.918 1.00 0.00 N ATOM 968 CA THR A 64 -2.387 6.646 -11.351 1.00 0.00 C ATOM 969 C THR A 64 -2.035 7.666 -12.450 1.00 0.00 C ATOM 970 O THR A 64 -0.881 8.090 -12.551 1.00 0.00 O ATOM 971 CB THR A 64 -1.473 6.851 -10.136 1.00 0.00 C ATOM 972 OG1 THR A 64 -1.756 5.870 -9.155 1.00 0.00 O ATOM 973 CG2 THR A 64 -1.668 8.240 -9.508 1.00 0.00 C ATOM 0 H THR A 64 -1.339 5.046 -12.267 1.00 0.00 H new ATOM 0 HA THR A 64 -3.411 6.786 -11.006 1.00 0.00 H new ATOM 0 HB THR A 64 -0.443 6.765 -10.482 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.243 5.057 -9.347 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.004 8.348 -8.650 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.436 9.009 -10.245 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.702 8.350 -9.182 1.00 0.00 H new ATOM 981 N PRO A 65 -2.992 8.119 -13.263 1.00 0.00 N ATOM 982 CA PRO A 65 -2.769 9.238 -14.185 1.00 0.00 C ATOM 983 C PRO A 65 -2.872 10.594 -13.470 1.00 0.00 C ATOM 984 O PRO A 65 -3.940 11.203 -13.415 1.00 0.00 O ATOM 985 CB PRO A 65 -3.919 9.010 -15.168 1.00 0.00 C ATOM 986 CG PRO A 65 -5.052 8.458 -14.302 1.00 0.00 C ATOM 987 CD PRO A 65 -4.355 7.582 -13.269 1.00 0.00 C ATOM 0 HA PRO A 65 -1.781 9.268 -14.644 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.211 9.937 -15.661 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.639 8.307 -15.952 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -5.614 9.261 -13.826 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.761 7.882 -14.897 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.825 7.659 -12.289 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.375 6.529 -13.551 1.00 0.00 H new ATOM 995 N GLU A 66 -1.752 11.088 -12.943 1.00 0.00 N ATOM 996 CA GLU A 66 -1.718 12.473 -12.432 1.00 0.00 C ATOM 997 C GLU A 66 -0.681 13.355 -13.144 1.00 0.00 C ATOM 998 O GLU A 66 -0.864 14.570 -13.233 1.00 0.00 O ATOM 999 CB GLU A 66 -1.506 12.476 -10.910 1.00 0.00 C ATOM 1000 CG GLU A 66 -0.160 11.901 -10.443 1.00 0.00 C ATOM 1001 CD GLU A 66 -0.046 11.947 -8.926 1.00 0.00 C ATOM 1002 OE1 GLU A 66 0.284 13.023 -8.379 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -0.282 10.910 -8.270 1.00 0.00 O ATOM 0 H GLU A 66 -0.876 10.574 -12.856 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.688 12.917 -12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.592 13.500 -10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.309 11.905 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.060 10.872 -10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.657 12.468 -10.890 1.00 0.00 H new ATOM 1010 N ALA A 67 0.421 12.778 -13.621 1.00 0.00 N ATOM 1011 CA ALA A 67 1.543 13.591 -14.115 1.00 0.00 C ATOM 1012 C ALA A 67 2.530 12.704 -14.885 1.00 0.00 C ATOM 1013 O ALA A 67 2.306 11.507 -15.086 1.00 0.00 O ATOM 1014 CB ALA A 67 2.233 14.265 -12.922 1.00 0.00 C ATOM 0 H ALA A 67 0.565 11.770 -13.678 1.00 0.00 H new ATOM 0 HA ALA A 67 1.176 14.360 -14.795 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.067 14.870 -13.278 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.519 14.902 -12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.605 13.502 -12.238 1.00 0.00 H new ATOM 1020 N GLN A 68 3.659 13.283 -15.288 1.00 0.00 N ATOM 1021 CA GLN A 68 4.756 12.475 -15.838 1.00 0.00 C ATOM 1022 C GLN A 68 5.487 11.735 -14.706 1.00 0.00 C ATOM 1023 O GLN A 68 5.409 10.510 -14.622 1.00 0.00 O ATOM 1024 CB GLN A 68 5.714 13.356 -16.655 1.00 0.00 C ATOM 1025 CG GLN A 68 5.053 13.935 -17.912 1.00 0.00 C ATOM 1026 CD GLN A 68 6.035 14.779 -18.718 1.00 0.00 C ATOM 1027 OE1 GLN A 68 6.790 14.273 -19.547 1.00 0.00 O ATOM 1028 NE2 GLN A 68 6.038 16.080 -18.488 1.00 0.00 N ATOM 0 H GLN A 68 3.841 14.286 -15.248 1.00 0.00 H new ATOM 0 HA GLN A 68 4.345 11.725 -16.514 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.074 14.172 -16.029 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.585 12.768 -16.945 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.674 13.123 -18.533 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.196 14.545 -17.626 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.403 16.477 -17.796 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.676 16.687 -19.003 1.00 0.00 H new ATOM 1037 N THR A 69 6.226 12.460 -13.863 1.00 0.00 N ATOM 1038 CA THR A 69 7.119 11.804 -12.893 1.00 0.00 C ATOM 1039 C THR A 69 6.838 12.255 -11.446 1.00 0.00 C ATOM 1040 O THR A 69 7.748 12.659 -10.720 1.00 0.00 O ATOM 1041 CB THR A 69 8.582 12.013 -13.336 1.00 0.00 C ATOM 1042 OG1 THR A 69 9.446 11.301 -12.460 1.00 0.00 O ATOM 1043 CG2 THR A 69 9.018 13.483 -13.378 1.00 0.00 C ATOM 0 H THR A 69 6.229 13.479 -13.828 1.00 0.00 H new ATOM 0 HA THR A 69 6.923 10.732 -12.884 1.00 0.00 H new ATOM 0 HB THR A 69 8.648 11.638 -14.357 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.296 11.600 -11.539 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.058 13.545 -13.698 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.389 14.029 -14.081 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.918 13.921 -12.385 1.00 0.00 H new ATOM 1051 N ASP A 70 5.575 12.219 -11.023 1.00 0.00 N ATOM 1052 CA ASP A 70 5.199 12.828 -9.736 1.00 0.00 C ATOM 1053 C ASP A 70 4.283 11.855 -8.986 1.00 0.00 C ATOM 1054 O ASP A 70 3.056 11.953 -9.032 1.00 0.00 O ATOM 1055 CB ASP A 70 4.532 14.201 -9.909 1.00 0.00 C ATOM 1056 CG ASP A 70 5.442 15.230 -10.575 1.00 0.00 C ATOM 1057 OD1 ASP A 70 6.264 15.853 -9.870 1.00 0.00 O ATOM 1058 OD2 ASP A 70 5.340 15.418 -11.807 1.00 0.00 O ATOM 0 H ASP A 70 4.806 11.786 -11.535 1.00 0.00 H new ATOM 0 HA ASP A 70 6.104 13.008 -9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.627 14.086 -10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.225 14.575 -8.932 1.00 0.00 H new ATOM 1063 N ILE A 71 4.902 10.873 -8.337 1.00 0.00 N ATOM 1064 CA ILE A 71 4.153 9.747 -7.753 1.00 0.00 C ATOM 1065 C ILE A 71 4.172 9.910 -6.223 1.00 0.00 C ATOM 1066 O ILE A 71 5.134 9.551 -5.544 1.00 0.00 O ATOM 1067 CB ILE A 71 4.720 8.414 -8.290 1.00 0.00 C ATOM 1068 CG1 ILE A 71 3.972 7.220 -7.672 1.00 0.00 C ATOM 1069 CG2 ILE A 71 6.241 8.296 -8.102 1.00 0.00 C ATOM 1070 CD1 ILE A 71 4.273 5.895 -8.377 1.00 0.00 C ATOM 0 H ILE A 71 5.912 10.827 -8.199 1.00 0.00 H new ATOM 0 HA ILE A 71 3.104 9.738 -8.049 1.00 0.00 H new ATOM 0 HB ILE A 71 4.552 8.402 -9.367 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.242 7.135 -6.619 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.900 7.411 -7.711 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.583 7.340 -8.498 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.737 9.107 -8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.482 8.357 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.716 5.092 -7.895 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.977 5.964 -9.424 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.341 5.684 -8.315 1.00 0.00 H new ATOM 1082 N LYS A 72 3.071 10.425 -5.680 1.00 0.00 N ATOM 1083 CA LYS A 72 2.877 10.441 -4.220 1.00 0.00 C ATOM 1084 C LYS A 72 2.010 9.272 -3.735 1.00 0.00 C ATOM 1085 O LYS A 72 0.780 9.319 -3.800 1.00 0.00 O ATOM 1086 CB LYS A 72 2.248 11.777 -3.797 1.00 0.00 C ATOM 1087 CG LYS A 72 3.182 12.969 -4.047 1.00 0.00 C ATOM 1088 CD LYS A 72 2.553 14.280 -3.570 1.00 0.00 C ATOM 1089 CE LYS A 72 3.494 15.461 -3.818 1.00 0.00 C ATOM 1090 NZ LYS A 72 2.880 16.711 -3.343 1.00 0.00 N ATOM 0 H LYS A 72 2.305 10.833 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 72 3.857 10.328 -3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.318 11.927 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.992 11.736 -2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.127 12.807 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.409 13.038 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.610 14.446 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.322 14.211 -2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.441 15.295 -3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.718 15.539 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.529 17.505 -3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.988 16.875 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.688 16.638 -2.323 1.00 0.00 H new ATOM 1104 N PHE A 73 2.658 8.232 -3.211 1.00 0.00 N ATOM 1105 CA PHE A 73 1.917 7.187 -2.483 1.00 0.00 C ATOM 1106 C PHE A 73 2.592 7.006 -1.117 1.00 0.00 C ATOM 1107 O PHE A 73 3.819 7.075 -1.027 1.00 0.00 O ATOM 1108 CB PHE A 73 2.027 5.907 -3.343 1.00 0.00 C ATOM 1109 CG PHE A 73 1.289 4.649 -2.884 1.00 0.00 C ATOM 1110 CD1 PHE A 73 0.033 4.722 -2.364 1.00 0.00 C ATOM 1111 CD2 PHE A 73 1.845 3.423 -3.105 1.00 0.00 C ATOM 1112 CE1 PHE A 73 -0.650 3.593 -2.054 1.00 0.00 C ATOM 1113 CE2 PHE A 73 1.139 2.295 -2.837 1.00 0.00 C ATOM 1114 CZ PHE A 73 -0.092 2.380 -2.277 1.00 0.00 C ATOM 0 H PHE A 73 3.666 8.086 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 73 0.868 7.432 -2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.674 6.151 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.084 5.657 -3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.423 5.687 -2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.850 3.350 -3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.640 3.661 -1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.559 1.328 -3.071 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.627 1.481 -2.009 1.00 0.00 H new ATOM 1124 N PRO A 74 1.854 6.648 -0.059 1.00 0.00 N ATOM 1125 CA PRO A 74 2.481 6.409 1.242 1.00 0.00 C ATOM 1126 C PRO A 74 3.074 5.003 1.345 1.00 0.00 C ATOM 1127 O PRO A 74 2.555 4.048 0.763 1.00 0.00 O ATOM 1128 CB PRO A 74 1.332 6.639 2.223 1.00 0.00 C ATOM 1129 CG PRO A 74 0.270 7.419 1.463 1.00 0.00 C ATOM 1130 CD PRO A 74 0.411 6.915 0.037 1.00 0.00 C ATOM 0 HA PRO A 74 3.333 7.060 1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.934 5.691 2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.672 7.195 3.096 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.728 7.229 1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.439 8.494 1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.181 6.017 -0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.085 7.658 -0.691 1.00 0.00 H new ATOM 1138 N LYS A 75 4.136 4.864 2.131 1.00 0.00 N ATOM 1139 CA LYS A 75 4.628 3.515 2.476 1.00 0.00 C ATOM 1140 C LYS A 75 3.604 2.666 3.272 1.00 0.00 C ATOM 1141 O LYS A 75 3.517 1.444 3.111 1.00 0.00 O ATOM 1142 CB LYS A 75 5.985 3.611 3.196 1.00 0.00 C ATOM 1143 CG LYS A 75 5.937 4.339 4.546 1.00 0.00 C ATOM 1144 CD LYS A 75 7.331 4.422 5.176 1.00 0.00 C ATOM 1145 CE LYS A 75 7.282 5.148 6.522 1.00 0.00 C ATOM 1146 NZ LYS A 75 8.627 5.219 7.113 1.00 0.00 N ATOM 0 H LYS A 75 4.666 5.636 2.536 1.00 0.00 H new ATOM 0 HA LYS A 75 4.769 2.978 1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.371 2.604 3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.692 4.125 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.536 5.343 4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.260 3.816 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.732 3.418 5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.008 4.945 4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.883 6.153 6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.607 4.626 7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.579 5.714 8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.993 4.257 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.261 5.736 6.471 1.00 0.00 H new ATOM 1160 N LYS A 76 2.830 3.318 4.144 1.00 0.00 N ATOM 1161 CA LYS A 76 1.830 2.610 4.964 1.00 0.00 C ATOM 1162 C LYS A 76 0.759 1.885 4.133 1.00 0.00 C ATOM 1163 O LYS A 76 0.317 0.800 4.514 1.00 0.00 O ATOM 1164 CB LYS A 76 1.195 3.629 5.925 1.00 0.00 C ATOM 1165 CG LYS A 76 0.195 3.025 6.921 1.00 0.00 C ATOM 1166 CD LYS A 76 0.845 2.030 7.889 1.00 0.00 C ATOM 1167 CE LYS A 76 -0.180 1.484 8.884 1.00 0.00 C ATOM 1168 NZ LYS A 76 0.459 0.531 9.802 1.00 0.00 N ATOM 0 H LYS A 76 2.872 4.325 4.303 1.00 0.00 H new ATOM 0 HA LYS A 76 2.337 1.821 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.988 4.127 6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.687 4.395 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.271 3.828 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.600 2.522 6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.286 1.207 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.656 2.519 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.621 2.305 9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.993 0.994 8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.248 0.168 10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.859 -0.260 9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.219 1.010 10.326 1.00 0.00 H new ATOM 1182 N LEU A 77 0.360 2.435 2.984 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.631 1.718 2.157 1.00 0.00 C ATOM 1184 C LEU A 77 0.032 0.552 1.405 1.00 0.00 C ATOM 1185 O LEU A 77 -0.607 -0.481 1.226 1.00 0.00 O ATOM 1186 CB LEU A 77 -1.412 2.584 1.149 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.502 3.472 1.755 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -1.946 4.507 2.729 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.290 4.201 0.663 1.00 0.00 C ATOM 0 H LEU A 77 0.684 3.328 2.613 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.367 1.361 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.704 3.219 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.871 1.927 0.410 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.160 2.800 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.764 5.108 3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.437 3.999 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.240 5.154 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.057 4.824 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.613 4.828 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.762 3.471 0.005 1.00 0.00 H new ATOM 1201 N ILE A 78 1.314 0.627 1.039 1.00 0.00 N ATOM 1202 CA ILE A 78 2.017 -0.539 0.498 1.00 0.00 C ATOM 1203 C ILE A 78 2.055 -1.698 1.523 1.00 0.00 C ATOM 1204 O ILE A 78 1.891 -2.852 1.126 1.00 0.00 O ATOM 1205 CB ILE A 78 3.412 -0.034 0.075 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.391 0.955 -1.094 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.357 -1.194 -0.216 1.00 0.00 C ATOM 1208 CD1 ILE A 78 4.745 1.618 -1.362 1.00 0.00 C ATOM 0 H ILE A 78 1.881 1.472 1.106 1.00 0.00 H new ATOM 0 HA ILE A 78 1.505 -0.966 -0.365 1.00 0.00 H new ATOM 0 HB ILE A 78 3.788 0.524 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.067 0.433 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.651 1.729 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.331 -0.804 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.467 -1.807 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.949 -1.802 -1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.654 2.305 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.062 2.169 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.485 0.853 -1.597 1.00 0.00 H new ATOM 1220 N SER A 79 2.236 -1.431 2.823 1.00 0.00 N ATOM 1221 CA SER A 79 2.164 -2.527 3.809 1.00 0.00 C ATOM 1222 C SER A 79 0.740 -3.095 3.980 1.00 0.00 C ATOM 1223 O SER A 79 0.562 -4.311 4.065 1.00 0.00 O ATOM 1224 CB SER A 79 2.751 -2.069 5.150 1.00 0.00 C ATOM 1225 OG SER A 79 1.988 -1.008 5.709 1.00 0.00 O ATOM 0 H SER A 79 2.426 -0.506 3.210 1.00 0.00 H new ATOM 0 HA SER A 79 2.765 -3.350 3.421 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.776 -2.908 5.845 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.781 -1.743 5.007 1.00 0.00 H new ATOM 0 HG SER A 79 1.495 -0.549 4.997 1.00 0.00 H new ATOM 1231 N VAL A 80 -0.278 -2.232 4.001 1.00 0.00 N ATOM 1232 CA VAL A 80 -1.674 -2.712 4.076 1.00 0.00 C ATOM 1233 C VAL A 80 -2.080 -3.528 2.829 1.00 0.00 C ATOM 1234 O VAL A 80 -2.791 -4.526 2.952 1.00 0.00 O ATOM 1235 CB VAL A 80 -2.636 -1.531 4.328 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -4.104 -1.976 4.356 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -2.335 -0.844 5.666 1.00 0.00 C ATOM 0 H VAL A 80 -0.175 -1.218 3.968 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.745 -3.396 4.922 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.479 -0.840 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.743 -1.111 4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.366 -2.427 3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.248 -2.706 5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.029 -0.017 5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.448 -1.563 6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.314 -0.464 5.658 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.641 -3.129 1.634 1.00 0.00 N ATOM 1248 CA LEU A 81 -1.921 -3.896 0.423 1.00 0.00 C ATOM 1249 C LEU A 81 -1.152 -5.228 0.354 1.00 0.00 C ATOM 1250 O LEU A 81 -1.688 -6.219 -0.144 1.00 0.00 O ATOM 1251 CB LEU A 81 -1.561 -2.973 -0.753 1.00 0.00 C ATOM 1252 CG LEU A 81 -2.683 -2.078 -1.320 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -4.091 -2.660 -1.157 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -2.618 -0.682 -0.703 1.00 0.00 C ATOM 0 H LEU A 81 -1.093 -2.283 1.481 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.970 -4.191 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.742 -2.327 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.182 -3.594 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.500 -2.022 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.821 -1.970 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.152 -3.617 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.303 -2.807 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.417 -0.065 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.737 -0.756 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.654 -0.228 -0.932 1.00 0.00 H new ATOM 1266 N ALA A 82 0.072 -5.289 0.880 1.00 0.00 N ATOM 1267 CA ALA A 82 0.747 -6.584 1.075 1.00 0.00 C ATOM 1268 C ALA A 82 -0.010 -7.532 2.023 1.00 0.00 C ATOM 1269 O ALA A 82 0.096 -8.751 1.889 1.00 0.00 O ATOM 1270 CB ALA A 82 2.157 -6.315 1.607 1.00 0.00 C ATOM 0 H ALA A 82 0.613 -4.476 1.176 1.00 0.00 H new ATOM 0 HA ALA A 82 0.780 -7.093 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.675 -7.262 1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.709 -5.711 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.092 -5.781 2.555 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.753 -6.991 2.989 1.00 0.00 N ATOM 1277 CA ASP A 83 -1.504 -7.852 3.930 1.00 0.00 C ATOM 1278 C ASP A 83 -2.700 -8.626 3.323 1.00 0.00 C ATOM 1279 O ASP A 83 -3.285 -9.495 3.970 1.00 0.00 O ATOM 1280 CB ASP A 83 -1.946 -6.987 5.122 1.00 0.00 C ATOM 1281 CG ASP A 83 -2.453 -7.811 6.304 1.00 0.00 C ATOM 1282 OD1 ASP A 83 -1.621 -8.402 7.025 1.00 0.00 O ATOM 1283 OD2 ASP A 83 -3.683 -7.865 6.516 1.00 0.00 O ATOM 0 H ASP A 83 -0.856 -5.989 3.147 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.824 -8.645 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.107 -6.372 5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.733 -6.306 4.797 1.00 0.00 H new ATOM 1288 N SER A 84 -3.066 -8.303 2.091 1.00 0.00 N ATOM 1289 CA SER A 84 -4.259 -8.878 1.452 1.00 0.00 C ATOM 1290 C SER A 84 -3.975 -10.065 0.511 1.00 0.00 C ATOM 1291 O SER A 84 -4.680 -10.267 -0.479 1.00 0.00 O ATOM 1292 CB SER A 84 -4.884 -7.736 0.651 1.00 0.00 C ATOM 1293 OG SER A 84 -5.336 -6.701 1.516 1.00 0.00 O ATOM 0 H SER A 84 -2.556 -7.643 1.504 1.00 0.00 H new ATOM 0 HA SER A 84 -4.908 -9.285 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.153 -7.336 -0.051 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.719 -8.114 0.061 1.00 0.00 H new ATOM 0 HG SER A 84 -5.731 -5.979 0.984 1.00 0.00 H new ATOM 1299 N LEU A 85 -2.924 -10.833 0.786 1.00 0.00 N ATOM 1300 CA LEU A 85 -2.368 -11.725 -0.231 1.00 0.00 C ATOM 1301 C LEU A 85 -2.079 -13.136 0.302 1.00 0.00 C ATOM 1302 O LEU A 85 -2.110 -13.406 1.503 1.00 0.00 O ATOM 1303 CB LEU A 85 -1.060 -11.069 -0.702 1.00 0.00 C ATOM 1304 CG LEU A 85 -1.202 -9.693 -1.379 1.00 0.00 C ATOM 1305 CD1 LEU A 85 0.184 -9.110 -1.659 1.00 0.00 C ATOM 1306 CD2 LEU A 85 -1.980 -9.784 -2.691 1.00 0.00 C ATOM 0 H LEU A 85 -2.446 -10.858 1.687 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.090 -11.854 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.400 -10.962 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.567 -11.746 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.755 -9.046 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.079 -8.137 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.727 -8.996 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.735 -9.781 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.058 -8.793 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.459 -10.451 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.979 -10.174 -2.495 1.00 0.00 H new ATOM 1318 N LYS A 86 -1.750 -14.030 -0.632 1.00 0.00 N ATOM 1319 CA LYS A 86 -1.234 -15.364 -0.283 1.00 0.00 C ATOM 1320 C LYS A 86 0.158 -15.488 -0.976 1.00 0.00 C ATOM 1321 O LYS A 86 0.798 -14.454 -1.181 1.00 0.00 O ATOM 1322 CB LYS A 86 -2.321 -16.416 -0.589 1.00 0.00 C ATOM 1323 CG LYS A 86 -3.716 -16.068 -0.055 1.00 0.00 C ATOM 1324 CD LYS A 86 -4.661 -17.267 -0.183 1.00 0.00 C ATOM 1325 CE LYS A 86 -6.051 -16.978 0.391 1.00 0.00 C ATOM 1326 NZ LYS A 86 -6.004 -16.779 1.850 1.00 0.00 N ATOM 0 H LYS A 86 -1.830 -13.860 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.039 -15.538 0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.383 -16.551 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.012 -17.372 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.645 -15.764 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.121 -15.220 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.755 -17.542 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.228 -18.124 0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.464 -16.089 -0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.721 -17.805 0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.972 -16.772 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.465 -17.553 2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.542 -15.872 2.062 1.00 0.00 H new ATOM 1340 N PRO A 87 0.754 -16.659 -1.260 1.00 0.00 N ATOM 1341 CA PRO A 87 2.194 -16.720 -1.584 1.00 0.00 C ATOM 1342 C PRO A 87 2.713 -16.091 -2.892 1.00 0.00 C ATOM 1343 O PRO A 87 3.728 -15.395 -2.823 1.00 0.00 O ATOM 1344 CB PRO A 87 2.550 -18.205 -1.451 1.00 0.00 C ATOM 1345 CG PRO A 87 1.218 -18.948 -1.399 1.00 0.00 C ATOM 1346 CD PRO A 87 0.241 -17.946 -0.789 1.00 0.00 C ATOM 0 HA PRO A 87 2.712 -16.057 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.152 -18.540 -2.296 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.135 -18.388 -0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.898 -19.258 -2.394 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.291 -19.850 -0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.780 -18.121 -1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.231 -18.003 0.299 1.00 0.00 H new ATOM 1354 N ASN A 88 2.081 -16.247 -4.064 1.00 0.00 N ATOM 1355 CA ASN A 88 2.516 -15.445 -5.231 1.00 0.00 C ATOM 1356 C ASN A 88 1.746 -14.115 -5.320 1.00 0.00 C ATOM 1357 O ASN A 88 1.052 -13.842 -6.300 1.00 0.00 O ATOM 1358 CB ASN A 88 2.454 -16.205 -6.569 1.00 0.00 C ATOM 1359 CG ASN A 88 3.045 -17.614 -6.513 1.00 0.00 C ATOM 1360 OD1 ASN A 88 2.341 -18.601 -6.305 1.00 0.00 O ATOM 1361 ND2 ASN A 88 4.349 -17.725 -6.698 1.00 0.00 N ATOM 0 H ASN A 88 1.304 -16.886 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 88 3.570 -15.229 -5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.414 -16.271 -6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.985 -15.629 -7.327 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.792 -18.643 -6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.913 -16.892 -6.869 1.00 0.00 H new ATOM 1368 N GLY A 89 1.915 -13.259 -4.315 1.00 0.00 N ATOM 1369 CA GLY A 89 1.398 -11.888 -4.406 1.00 0.00 C ATOM 1370 C GLY A 89 2.330 -11.056 -5.263 1.00 0.00 C ATOM 1371 O GLY A 89 3.548 -11.114 -5.093 1.00 0.00 O ATOM 0 H GLY A 89 2.395 -13.480 -3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.397 -11.893 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.315 -11.452 -3.411 1.00 0.00 H new ATOM 1375 N SER A 90 1.780 -10.284 -6.187 1.00 0.00 N ATOM 1376 CA SER A 90 2.649 -9.472 -7.020 1.00 0.00 C ATOM 1377 C SER A 90 1.954 -8.129 -7.159 1.00 0.00 C ATOM 1378 O SER A 90 0.737 -7.985 -7.037 1.00 0.00 O ATOM 1379 CB SER A 90 2.846 -10.145 -8.387 1.00 0.00 C ATOM 1380 OG SER A 90 1.601 -10.311 -9.055 1.00 0.00 O ATOM 0 H SER A 90 0.781 -10.203 -6.374 1.00 0.00 H new ATOM 0 HA SER A 90 3.641 -9.351 -6.584 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.515 -9.542 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.324 -11.115 -8.254 1.00 0.00 H new ATOM 0 HG SER A 90 1.750 -10.740 -9.923 1.00 0.00 H new ATOM 1386 N LEU A 91 2.774 -7.165 -7.501 1.00 0.00 N ATOM 1387 CA LEU A 91 2.324 -5.790 -7.623 1.00 0.00 C ATOM 1388 C LEU A 91 2.798 -5.369 -9.010 1.00 0.00 C ATOM 1389 O LEU A 91 3.986 -5.481 -9.310 1.00 0.00 O ATOM 1390 CB LEU A 91 3.051 -5.081 -6.476 1.00 0.00 C ATOM 1391 CG LEU A 91 2.759 -3.591 -6.403 1.00 0.00 C ATOM 1392 CD1 LEU A 91 2.257 -3.206 -5.008 1.00 0.00 C ATOM 1393 CD2 LEU A 91 4.012 -2.775 -6.730 1.00 0.00 C ATOM 0 H LEU A 91 3.764 -7.304 -7.702 1.00 0.00 H new ATOM 0 HA LEU A 91 1.256 -5.587 -7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.765 -5.546 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.125 -5.228 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 91 1.985 -3.369 -7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.054 -2.136 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.342 -3.756 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.017 -3.453 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.779 -1.712 -6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.799 -3.014 -6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.351 -3.017 -7.737 1.00 0.00 H new ATOM 1405 N ILE A 92 1.913 -4.805 -9.825 1.00 0.00 N ATOM 1406 CA ILE A 92 2.338 -4.195 -11.093 1.00 0.00 C ATOM 1407 C ILE A 92 2.142 -2.700 -11.021 1.00 0.00 C ATOM 1408 O ILE A 92 1.060 -2.171 -11.285 1.00 0.00 O ATOM 1409 CB ILE A 92 1.539 -4.785 -12.253 1.00 0.00 C ATOM 1410 CG1 ILE A 92 1.681 -6.306 -12.352 1.00 0.00 C ATOM 1411 CG2 ILE A 92 1.931 -4.145 -13.596 1.00 0.00 C ATOM 1412 CD1 ILE A 92 3.151 -6.687 -12.265 1.00 0.00 C ATOM 0 H ILE A 92 0.911 -4.754 -9.641 1.00 0.00 H new ATOM 0 HA ILE A 92 3.394 -4.407 -11.262 1.00 0.00 H new ATOM 0 HB ILE A 92 0.495 -4.556 -12.040 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.122 -6.787 -11.549 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.258 -6.661 -13.292 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.341 -4.591 -14.397 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.740 -3.073 -13.558 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.990 -4.318 -13.786 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.251 -7.770 -12.336 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.697 -6.218 -13.083 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.560 -6.346 -11.314 1.00 0.00 H new ATOM 1424 N GLY A 93 3.187 -2.048 -10.552 1.00 0.00 N ATOM 1425 CA GLY A 93 2.966 -0.694 -10.063 1.00 0.00 C ATOM 1426 C GLY A 93 4.008 0.394 -10.265 1.00 0.00 C ATOM 1427 O GLY A 93 3.818 1.297 -11.079 1.00 0.00 O ATOM 0 H GLY A 93 4.142 -2.401 -10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.041 -0.338 -10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.786 -0.768 -8.990 1.00 0.00 H new ATOM 1431 N LEU A 94 5.051 0.408 -9.443 1.00 0.00 N ATOM 1432 CA LEU A 94 5.533 1.704 -8.943 1.00 0.00 C ATOM 1433 C LEU A 94 6.961 1.998 -9.447 1.00 0.00 C ATOM 1434 O LEU A 94 7.623 1.187 -10.093 1.00 0.00 O ATOM 1435 CB LEU A 94 5.658 1.576 -7.409 1.00 0.00 C ATOM 1436 CG LEU A 94 4.471 1.462 -6.439 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.173 1.036 -7.037 1.00 0.00 C ATOM 1438 CD2 LEU A 94 4.744 0.550 -5.244 1.00 0.00 C ATOM 0 H LEU A 94 5.561 -0.413 -9.118 1.00 0.00 H new ATOM 0 HA LEU A 94 4.848 2.485 -9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.278 0.697 -7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.232 2.443 -7.081 1.00 0.00 H new ATOM 0 HG LEU A 94 4.368 2.499 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.411 0.991 -6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.871 1.754 -7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.287 0.051 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.863 0.517 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.973 -0.455 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.591 0.936 -4.677 1.00 0.00 H new ATOM 1450 N SER A 95 7.388 3.233 -9.187 1.00 0.00 N ATOM 1451 CA SER A 95 8.565 3.818 -9.870 1.00 0.00 C ATOM 1452 C SER A 95 9.889 3.615 -9.092 1.00 0.00 C ATOM 1453 O SER A 95 9.995 2.742 -8.232 1.00 0.00 O ATOM 1454 CB SER A 95 8.287 5.300 -10.197 1.00 0.00 C ATOM 1455 OG SER A 95 7.050 5.433 -10.886 1.00 0.00 O ATOM 0 H SER A 95 6.944 3.855 -8.511 1.00 0.00 H new ATOM 0 HA SER A 95 8.714 3.277 -10.805 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.262 5.883 -9.277 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.096 5.702 -10.808 1.00 0.00 H new ATOM 0 HG SER A 95 6.886 6.379 -11.085 1.00 0.00 H new ATOM 1461 N ASP A 96 10.921 4.394 -9.434 1.00 0.00 N ATOM 1462 CA ASP A 96 12.282 4.161 -8.911 1.00 0.00 C ATOM 1463 C ASP A 96 12.482 4.347 -7.398 1.00 0.00 C ATOM 1464 O ASP A 96 13.253 3.595 -6.803 1.00 0.00 O ATOM 1465 CB ASP A 96 13.260 5.097 -9.631 1.00 0.00 C ATOM 1466 CG ASP A 96 13.379 4.805 -11.124 1.00 0.00 C ATOM 1467 OD1 ASP A 96 14.097 3.851 -11.497 1.00 0.00 O ATOM 1468 OD2 ASP A 96 12.758 5.529 -11.933 1.00 0.00 O ATOM 0 H ASP A 96 10.846 5.190 -10.068 1.00 0.00 H new ATOM 0 HA ASP A 96 12.465 3.104 -9.102 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.935 6.128 -9.493 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.244 5.009 -9.170 1.00 0.00 H new ATOM 1473 N ILE A 97 11.822 5.313 -6.749 1.00 0.00 N ATOM 1474 CA ILE A 97 11.882 5.384 -5.260 1.00 0.00 C ATOM 1475 C ILE A 97 11.391 4.067 -4.615 1.00 0.00 C ATOM 1476 O ILE A 97 11.825 3.593 -3.552 1.00 0.00 O ATOM 1477 CB ILE A 97 11.029 6.547 -4.684 1.00 0.00 C ATOM 1478 CG1 ILE A 97 10.975 7.771 -5.611 1.00 0.00 C ATOM 1479 CG2 ILE A 97 11.560 6.922 -3.293 1.00 0.00 C ATOM 1480 CD1 ILE A 97 10.146 8.933 -5.057 1.00 0.00 C ATOM 0 H ILE A 97 11.258 6.036 -7.197 1.00 0.00 H new ATOM 0 HA ILE A 97 12.930 5.558 -5.017 1.00 0.00 H new ATOM 0 HB ILE A 97 10.000 6.197 -4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 97 11.991 8.119 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.561 7.468 -6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.964 7.738 -2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 97 11.493 6.057 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 97 12.600 7.237 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.156 9.759 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.119 8.604 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.572 9.265 -4.110 1.00 0.00 H new ATOM 1492 N TYR A 98 10.441 3.466 -5.317 1.00 0.00 N ATOM 1493 CA TYR A 98 9.752 2.306 -4.781 1.00 0.00 C ATOM 1494 C TYR A 98 10.627 1.029 -4.880 1.00 0.00 C ATOM 1495 O TYR A 98 10.343 0.032 -4.225 1.00 0.00 O ATOM 1496 CB TYR A 98 8.367 2.242 -5.419 1.00 0.00 C ATOM 1497 CG TYR A 98 7.546 3.479 -5.099 1.00 0.00 C ATOM 1498 CD1 TYR A 98 6.800 3.528 -3.962 1.00 0.00 C ATOM 1499 CD2 TYR A 98 7.573 4.547 -5.937 1.00 0.00 C ATOM 1500 CE1 TYR A 98 6.014 4.604 -3.715 1.00 0.00 C ATOM 1501 CE2 TYR A 98 6.793 5.626 -5.684 1.00 0.00 C ATOM 1502 CZ TYR A 98 6.007 5.656 -4.577 1.00 0.00 C ATOM 1503 OH TYR A 98 5.228 6.752 -4.318 1.00 0.00 O ATOM 0 H TYR A 98 10.135 3.758 -6.245 1.00 0.00 H new ATOM 0 HA TYR A 98 9.586 2.389 -3.707 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.468 2.141 -6.500 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.843 1.355 -5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.834 2.710 -3.257 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.216 4.537 -6.805 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.392 4.626 -2.832 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.797 6.464 -6.365 1.00 0.00 H new ATOM 0 HH TYR A 98 5.495 7.489 -4.906 1.00 0.00 H new ATOM 1513 N LYS A 99 11.734 1.064 -5.629 1.00 0.00 N ATOM 1514 CA LYS A 99 12.739 -0.016 -5.612 1.00 0.00 C ATOM 1515 C LYS A 99 13.329 -0.245 -4.209 1.00 0.00 C ATOM 1516 O LYS A 99 13.317 -1.365 -3.700 1.00 0.00 O ATOM 1517 CB LYS A 99 13.832 0.370 -6.620 1.00 0.00 C ATOM 1518 CG LYS A 99 14.949 -0.674 -6.725 1.00 0.00 C ATOM 1519 CD LYS A 99 16.116 -0.246 -7.628 1.00 0.00 C ATOM 1520 CE LYS A 99 15.782 -0.216 -9.126 1.00 0.00 C ATOM 1521 NZ LYS A 99 15.000 0.974 -9.497 1.00 0.00 N ATOM 0 H LYS A 99 11.962 1.832 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 99 12.271 -0.961 -5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.380 0.509 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.264 1.328 -6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.333 -0.883 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.529 -1.605 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.450 0.746 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.952 -0.927 -7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.706 -0.236 -9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.222 -1.113 -9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.002 0.708 -9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.076 1.688 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.369 1.368 -10.386 1.00 0.00 H new ATOM 1535 N VAL A 100 13.845 0.809 -3.576 1.00 0.00 N ATOM 1536 CA VAL A 100 14.344 0.687 -2.193 1.00 0.00 C ATOM 1537 C VAL A 100 13.197 0.360 -1.217 1.00 0.00 C ATOM 1538 O VAL A 100 13.375 -0.429 -0.285 1.00 0.00 O ATOM 1539 CB VAL A 100 15.089 1.975 -1.785 1.00 0.00 C ATOM 1540 CG1 VAL A 100 15.648 1.880 -0.359 1.00 0.00 C ATOM 1541 CG2 VAL A 100 16.258 2.277 -2.732 1.00 0.00 C ATOM 0 H VAL A 100 13.931 1.741 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 100 15.049 -0.143 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 100 14.352 2.777 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 100 16.166 2.806 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.829 1.721 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 100 16.347 1.046 -0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.758 3.191 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.967 1.449 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.881 2.405 -3.746 1.00 0.00 H new ATOM 1551 N ASP A 101 12.010 0.931 -1.438 1.00 0.00 N ATOM 1552 CA ASP A 101 10.848 0.535 -0.635 1.00 0.00 C ATOM 1553 C ASP A 101 10.500 -0.960 -0.779 1.00 0.00 C ATOM 1554 O ASP A 101 10.256 -1.635 0.219 1.00 0.00 O ATOM 1555 CB ASP A 101 9.658 1.362 -1.106 1.00 0.00 C ATOM 1556 CG ASP A 101 9.286 2.499 -0.162 1.00 0.00 C ATOM 1557 OD1 ASP A 101 9.816 3.618 -0.326 1.00 0.00 O ATOM 1558 OD2 ASP A 101 8.458 2.278 0.749 1.00 0.00 O ATOM 0 H ASP A 101 11.829 1.646 -2.142 1.00 0.00 H new ATOM 0 HA ASP A 101 11.085 0.709 0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.882 1.777 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.796 0.706 -1.226 1.00 0.00 H new ATOM 1563 N ALA A 102 10.481 -1.485 -2.008 1.00 0.00 N ATOM 1564 CA ALA A 102 10.270 -2.921 -2.242 1.00 0.00 C ATOM 1565 C ALA A 102 11.278 -3.775 -1.469 1.00 0.00 C ATOM 1566 O ALA A 102 10.918 -4.770 -0.848 1.00 0.00 O ATOM 1567 CB ALA A 102 10.492 -3.163 -3.732 1.00 0.00 C ATOM 0 H ALA A 102 10.609 -0.938 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 102 9.268 -3.196 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.346 -4.220 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.781 -2.569 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.508 -2.873 -4.000 1.00 0.00 H new ATOM 1573 N LEU A 103 12.543 -3.364 -1.497 1.00 0.00 N ATOM 1574 CA LEU A 103 13.592 -4.090 -0.760 1.00 0.00 C ATOM 1575 C LEU A 103 13.273 -4.239 0.733 1.00 0.00 C ATOM 1576 O LEU A 103 13.384 -5.320 1.313 1.00 0.00 O ATOM 1577 CB LEU A 103 14.912 -3.308 -0.902 1.00 0.00 C ATOM 1578 CG LEU A 103 16.170 -4.159 -0.658 1.00 0.00 C ATOM 1579 CD1 LEU A 103 16.373 -5.196 -1.767 1.00 0.00 C ATOM 1580 CD2 LEU A 103 17.398 -3.248 -0.584 1.00 0.00 C ATOM 0 H LEU A 103 12.871 -2.546 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 103 13.662 -5.092 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.963 -2.880 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.907 -2.475 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 103 16.038 -4.691 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.271 -5.778 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.510 -5.861 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.482 -4.688 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 103 18.289 -3.852 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.505 -2.704 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 103 17.276 -2.539 0.234 1.00 0.00 H new ATOM 1592 N ILE A 104 12.925 -3.118 1.348 1.00 0.00 N ATOM 1593 CA ILE A 104 12.812 -3.056 2.813 1.00 0.00 C ATOM 1594 C ILE A 104 11.492 -3.623 3.358 1.00 0.00 C ATOM 1595 O ILE A 104 11.457 -4.263 4.408 1.00 0.00 O ATOM 1596 CB ILE A 104 13.123 -1.600 3.180 1.00 0.00 C ATOM 1597 CG1 ILE A 104 13.754 -1.518 4.578 1.00 0.00 C ATOM 1598 CG2 ILE A 104 11.915 -0.659 3.061 1.00 0.00 C ATOM 1599 CD1 ILE A 104 14.345 -0.139 4.884 1.00 0.00 C ATOM 0 H ILE A 104 12.716 -2.242 0.868 1.00 0.00 H new ATOM 0 HA ILE A 104 13.524 -3.717 3.307 1.00 0.00 H new ATOM 0 HB ILE A 104 13.843 -1.247 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.999 -1.759 5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 104 14.538 -2.271 4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 104 12.213 0.353 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 104 11.551 -0.663 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 104 11.122 -0.998 3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.776 -0.142 5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.121 0.094 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.559 0.614 4.830 1.00 0.00 H new ATOM 1611 N ASN A 105 10.416 -3.438 2.599 1.00 0.00 N ATOM 1612 CA ASN A 105 9.125 -4.026 2.916 1.00 0.00 C ATOM 1613 C ASN A 105 9.071 -5.543 2.694 1.00 0.00 C ATOM 1614 O ASN A 105 8.165 -6.190 3.223 1.00 0.00 O ATOM 1615 CB ASN A 105 8.162 -3.304 1.957 1.00 0.00 C ATOM 1616 CG ASN A 105 7.522 -2.061 2.574 1.00 0.00 C ATOM 1617 OD1 ASN A 105 6.572 -2.147 3.352 1.00 0.00 O ATOM 1618 ND2 ASN A 105 8.027 -0.889 2.234 1.00 0.00 N ATOM 0 H ASN A 105 10.418 -2.876 1.748 1.00 0.00 H new ATOM 0 HA ASN A 105 8.882 -3.903 3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.704 -3.017 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.377 -3.996 1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.630 -0.032 2.618 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.815 -0.841 1.588 1.00 0.00 H new ATOM 1625 N GLY A 106 9.995 -6.130 1.932 1.00 0.00 N ATOM 1626 CA GLY A 106 9.949 -7.588 1.744 1.00 0.00 C ATOM 1627 C GLY A 106 9.400 -7.985 0.373 1.00 0.00 C ATOM 1628 O GLY A 106 8.832 -9.064 0.214 1.00 0.00 O ATOM 0 H GLY A 106 10.755 -5.648 1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.952 -7.998 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.329 -8.032 2.523 1.00 0.00 H new ATOM 1632 N PHE A 107 9.619 -7.132 -0.621 1.00 0.00 N ATOM 1633 CA PHE A 107 9.270 -7.477 -2.004 1.00 0.00 C ATOM 1634 C PHE A 107 10.594 -7.759 -2.737 1.00 0.00 C ATOM 1635 O PHE A 107 11.674 -7.316 -2.336 1.00 0.00 O ATOM 1636 CB PHE A 107 8.513 -6.357 -2.747 1.00 0.00 C ATOM 1637 CG PHE A 107 7.140 -5.943 -2.225 1.00 0.00 C ATOM 1638 CD1 PHE A 107 7.032 -5.027 -1.224 1.00 0.00 C ATOM 1639 CD2 PHE A 107 6.012 -6.380 -2.853 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.808 -4.608 -0.805 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.789 -5.958 -2.437 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.688 -5.080 -1.406 1.00 0.00 C ATOM 0 H PHE A 107 10.031 -6.206 -0.503 1.00 0.00 H new ATOM 0 HA PHE A 107 8.599 -8.336 -1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 107 9.149 -5.471 -2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 107 8.394 -6.668 -3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.923 -4.631 -0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 107 6.090 -7.064 -3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.728 -3.900 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.897 -6.321 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.715 -4.758 -1.065 1.00 0.00 H new ATOM 1652 N GLU A 108 10.495 -8.478 -3.846 1.00 0.00 N ATOM 1653 CA GLU A 108 11.673 -8.854 -4.634 1.00 0.00 C ATOM 1654 C GLU A 108 11.395 -8.420 -6.073 1.00 0.00 C ATOM 1655 O GLU A 108 10.559 -8.991 -6.776 1.00 0.00 O ATOM 1656 CB GLU A 108 11.891 -10.370 -4.518 1.00 0.00 C ATOM 1657 CG GLU A 108 13.163 -10.832 -5.235 1.00 0.00 C ATOM 1658 CD GLU A 108 13.356 -12.337 -5.096 1.00 0.00 C ATOM 1659 OE1 GLU A 108 12.856 -13.092 -5.957 1.00 0.00 O ATOM 1660 OE2 GLU A 108 14.005 -12.774 -4.120 1.00 0.00 O ATOM 0 H GLU A 108 9.611 -8.816 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 108 12.584 -8.372 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.949 -10.647 -3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.031 -10.891 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.106 -10.566 -6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 108 14.027 -10.312 -4.821 1.00 0.00 H new ATOM 1667 N ILE A 109 12.085 -7.368 -6.493 1.00 0.00 N ATOM 1668 CA ILE A 109 11.739 -6.678 -7.737 1.00 0.00 C ATOM 1669 C ILE A 109 12.197 -7.463 -8.974 1.00 0.00 C ATOM 1670 O ILE A 109 13.178 -8.208 -8.959 1.00 0.00 O ATOM 1671 CB ILE A 109 12.351 -5.275 -7.575 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.922 -4.203 -8.574 1.00 0.00 C ATOM 1673 CG2 ILE A 109 13.859 -5.342 -7.649 1.00 0.00 C ATOM 1674 CD1 ILE A 109 12.498 -2.848 -8.180 1.00 0.00 C ATOM 0 H ILE A 109 12.884 -6.973 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 109 10.666 -6.596 -7.909 1.00 0.00 H new ATOM 0 HB ILE A 109 11.967 -4.970 -6.602 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.261 -4.472 -9.574 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.834 -4.146 -8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.274 -4.341 -7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 109 14.234 -5.985 -6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.158 -5.748 -8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 109 12.183 -2.095 -8.902 1.00 0.00 H new ATOM 0 HD12 ILE A 109 12.137 -2.574 -7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 109 13.586 -2.905 -8.167 1.00 0.00 H new ATOM 1686 N ILE A 110 11.427 -7.300 -10.039 1.00 0.00 N ATOM 1687 CA ILE A 110 11.650 -8.069 -11.270 1.00 0.00 C ATOM 1688 C ILE A 110 11.212 -7.194 -12.443 1.00 0.00 C ATOM 1689 O ILE A 110 10.097 -6.664 -12.498 1.00 0.00 O ATOM 1690 CB ILE A 110 10.954 -9.443 -11.214 1.00 0.00 C ATOM 1691 CG1 ILE A 110 11.126 -10.234 -12.521 1.00 0.00 C ATOM 1692 CG2 ILE A 110 9.466 -9.346 -10.840 1.00 0.00 C ATOM 1693 CD1 ILE A 110 10.784 -11.718 -12.367 1.00 0.00 C ATOM 0 H ILE A 110 10.644 -6.648 -10.084 1.00 0.00 H new ATOM 0 HA ILE A 110 12.705 -8.312 -11.396 1.00 0.00 H new ATOM 0 HB ILE A 110 11.456 -9.989 -10.416 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.490 -9.797 -13.291 1.00 0.00 H new ATOM 0 HG13 ILE A 110 12.155 -10.137 -12.866 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.031 -10.345 -10.817 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.367 -8.884 -9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 110 8.944 -8.740 -11.580 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.924 -12.225 -13.322 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.438 -12.166 -11.619 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.746 -11.821 -12.050 1.00 0.00 H new ATOM 1705 N ASN A 111 12.148 -7.024 -13.365 1.00 0.00 N ATOM 1706 CA ASN A 111 11.975 -6.043 -14.442 1.00 0.00 C ATOM 1707 C ASN A 111 11.680 -6.729 -15.776 1.00 0.00 C ATOM 1708 O ASN A 111 12.541 -7.283 -16.460 1.00 0.00 O ATOM 1709 CB ASN A 111 13.163 -5.078 -14.534 1.00 0.00 C ATOM 1710 CG ASN A 111 14.538 -5.736 -14.683 1.00 0.00 C ATOM 1711 OD1 ASN A 111 15.078 -6.325 -13.748 1.00 0.00 O ATOM 1712 ND2 ASN A 111 15.127 -5.635 -15.862 1.00 0.00 N ATOM 0 H ASN A 111 13.026 -7.542 -13.396 1.00 0.00 H new ATOM 0 HA ASN A 111 11.104 -5.436 -14.195 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.004 -4.414 -15.383 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.173 -4.455 -13.639 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.047 -6.050 -16.010 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.661 -5.142 -16.624 1.00 0.00 H new ATOM 1719 N GLU A 112 10.395 -6.716 -16.076 1.00 0.00 N ATOM 1720 CA GLU A 112 9.837 -7.486 -17.198 1.00 0.00 C ATOM 1721 C GLU A 112 8.889 -6.549 -17.968 1.00 0.00 C ATOM 1722 O GLU A 112 8.622 -5.435 -17.508 1.00 0.00 O ATOM 1723 CB GLU A 112 9.085 -8.703 -16.624 1.00 0.00 C ATOM 1724 CG GLU A 112 10.020 -9.813 -16.126 1.00 0.00 C ATOM 1725 CD GLU A 112 10.776 -10.489 -17.263 1.00 0.00 C ATOM 1726 OE1 GLU A 112 10.175 -11.322 -17.973 1.00 0.00 O ATOM 1727 OE2 GLU A 112 11.975 -10.189 -17.452 1.00 0.00 O ATOM 0 H GLU A 112 9.701 -6.177 -15.558 1.00 0.00 H new ATOM 0 HA GLU A 112 10.609 -7.851 -17.875 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.451 -8.375 -15.800 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.426 -9.109 -17.391 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.734 -9.392 -15.418 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.438 -10.560 -15.586 1.00 0.00 H new ATOM 1734 N PRO A 113 8.302 -6.947 -19.106 1.00 0.00 N ATOM 1735 CA PRO A 113 7.344 -6.085 -19.823 1.00 0.00 C ATOM 1736 C PRO A 113 6.131 -5.558 -19.035 1.00 0.00 C ATOM 1737 O PRO A 113 5.554 -4.524 -19.375 1.00 0.00 O ATOM 1738 CB PRO A 113 6.967 -6.933 -21.043 1.00 0.00 C ATOM 1739 CG PRO A 113 7.542 -8.331 -20.784 1.00 0.00 C ATOM 1740 CD PRO A 113 8.761 -8.094 -19.898 1.00 0.00 C ATOM 0 HA PRO A 113 7.806 -5.128 -20.066 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.885 -6.974 -21.170 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.379 -6.505 -21.957 1.00 0.00 H new ATOM 0 HG2 PRO A 113 6.813 -8.973 -20.290 1.00 0.00 H new ATOM 0 HG3 PRO A 113 7.820 -8.823 -21.716 1.00 0.00 H new ATOM 0 HD2 PRO A 113 8.996 -8.958 -19.277 1.00 0.00 H new ATOM 0 HD3 PRO A 113 9.656 -7.866 -20.477 1.00 0.00 H new ATOM 1748 N ASP A 114 5.815 -6.220 -17.935 1.00 0.00 N ATOM 1749 CA ASP A 114 5.058 -5.591 -16.850 1.00 0.00 C ATOM 1750 C ASP A 114 6.010 -5.484 -15.648 1.00 0.00 C ATOM 1751 O ASP A 114 6.421 -6.490 -15.067 1.00 0.00 O ATOM 1752 CB ASP A 114 3.798 -6.415 -16.538 1.00 0.00 C ATOM 1753 CG ASP A 114 4.041 -7.893 -16.221 1.00 0.00 C ATOM 1754 OD1 ASP A 114 4.143 -8.704 -17.168 1.00 0.00 O ATOM 1755 OD2 ASP A 114 4.125 -8.247 -15.025 1.00 0.00 O ATOM 0 H ASP A 114 6.068 -7.193 -17.763 1.00 0.00 H new ATOM 0 HA ASP A 114 4.706 -4.596 -17.121 1.00 0.00 H new ATOM 0 HB2 ASP A 114 3.287 -5.959 -15.690 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.122 -6.350 -17.391 1.00 0.00 H new ATOM 1760 N TYR A 115 6.422 -4.263 -15.308 1.00 0.00 N ATOM 1761 CA TYR A 115 7.493 -4.084 -14.317 1.00 0.00 C ATOM 1762 C TYR A 115 6.883 -4.057 -12.914 1.00 0.00 C ATOM 1763 O TYR A 115 6.085 -3.169 -12.604 1.00 0.00 O ATOM 1764 CB TYR A 115 8.230 -2.775 -14.618 1.00 0.00 C ATOM 1765 CG TYR A 115 9.062 -2.255 -13.453 1.00 0.00 C ATOM 1766 CD1 TYR A 115 9.956 -3.050 -12.798 1.00 0.00 C ATOM 1767 CD2 TYR A 115 8.828 -0.995 -13.000 1.00 0.00 C ATOM 1768 CE1 TYR A 115 10.683 -2.549 -11.764 1.00 0.00 C ATOM 1769 CE2 TYR A 115 9.560 -0.491 -11.976 1.00 0.00 C ATOM 1770 CZ TYR A 115 10.508 -1.257 -11.377 1.00 0.00 C ATOM 1771 OH TYR A 115 11.242 -0.729 -10.350 1.00 0.00 O ATOM 0 H TYR A 115 6.043 -3.397 -15.692 1.00 0.00 H new ATOM 0 HA TYR A 115 8.204 -4.909 -14.368 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.882 -2.926 -15.479 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.501 -2.015 -14.899 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.087 -4.078 -13.101 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.056 -0.393 -13.457 1.00 0.00 H new ATOM 0 HE1 TYR A 115 11.398 -3.176 -11.251 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.389 0.520 -11.637 1.00 0.00 H new ATOM 0 HH TYR A 115 10.985 0.207 -10.212 1.00 0.00 H new ATOM 1781 N CYS A 116 7.156 -5.100 -12.127 1.00 0.00 N ATOM 1782 CA CYS A 116 6.723 -5.122 -10.726 1.00 0.00 C ATOM 1783 C CYS A 116 7.695 -5.870 -9.822 1.00 0.00 C ATOM 1784 O CYS A 116 8.889 -6.033 -10.073 1.00 0.00 O ATOM 1785 CB CYS A 116 5.340 -5.790 -10.643 1.00 0.00 C ATOM 1786 SG CYS A 116 5.422 -7.581 -10.934 1.00 0.00 S ATOM 0 H CYS A 116 7.667 -5.930 -12.429 1.00 0.00 H new ATOM 0 HA CYS A 116 6.684 -4.090 -10.377 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.907 -5.603 -9.660 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.674 -5.335 -11.376 1.00 0.00 H new ATOM 0 HG CYS A 116 4.276 -8.121 -10.643 1.00 0.00 H new ATOM 1792 N TRP A 117 7.073 -6.291 -8.723 1.00 0.00 N ATOM 1793 CA TRP A 117 7.747 -6.848 -7.551 1.00 0.00 C ATOM 1794 C TRP A 117 6.887 -8.046 -7.151 1.00 0.00 C ATOM 1795 O TRP A 117 5.660 -8.009 -7.265 1.00 0.00 O ATOM 1796 CB TRP A 117 7.716 -5.870 -6.364 1.00 0.00 C ATOM 1797 CG TRP A 117 8.036 -4.429 -6.664 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.713 -3.921 -7.758 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.731 -3.354 -5.892 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.838 -2.544 -7.701 1.00 0.00 N ATOM 1801 CE2 TRP A 117 8.231 -2.228 -6.496 1.00 0.00 C ATOM 1802 CE3 TRP A 117 7.127 -3.299 -4.681 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 8.262 -1.058 -5.815 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 7.073 -2.109 -4.047 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.718 -1.028 -4.559 1.00 0.00 C ATOM 0 H TRP A 117 6.059 -6.253 -8.620 1.00 0.00 H new ATOM 0 HA TRP A 117 8.787 -7.080 -7.782 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.724 -5.911 -5.915 1.00 0.00 H new ATOM 0 HB3 TRP A 117 8.421 -6.225 -5.612 1.00 0.00 H new ATOM 0 HD1 TRP A 117 9.099 -4.528 -8.563 1.00 0.00 H new ATOM 0 HE1 TRP A 117 9.270 -1.916 -8.379 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.700 -4.185 -4.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.703 -0.174 -6.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.514 -2.015 -3.128 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.803 -0.130 -3.965 1.00 0.00 H new ATOM 1816 N ILE A 118 7.493 -9.064 -6.570 1.00 0.00 N ATOM 1817 CA ILE A 118 6.688 -10.034 -5.811 1.00 0.00 C ATOM 1818 C ILE A 118 7.055 -9.910 -4.326 1.00 0.00 C ATOM 1819 O ILE A 118 8.226 -9.855 -3.969 1.00 0.00 O ATOM 1820 CB ILE A 118 7.024 -11.456 -6.304 1.00 0.00 C ATOM 1821 CG1 ILE A 118 6.701 -11.765 -7.786 1.00 0.00 C ATOM 1822 CG2 ILE A 118 6.400 -12.496 -5.376 1.00 0.00 C ATOM 1823 CD1 ILE A 118 5.681 -12.894 -8.041 1.00 0.00 C ATOM 0 H ILE A 118 8.496 -9.248 -6.598 1.00 0.00 H new ATOM 0 HA ILE A 118 5.624 -9.841 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 118 8.112 -11.510 -6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.326 -10.854 -8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.631 -12.023 -8.293 1.00 0.00 H new ATOM 0 HG21 ILE A 118 6.644 -13.496 -5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 118 6.793 -12.366 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 118 5.317 -12.369 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.536 -13.018 -9.114 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.055 -13.825 -7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.730 -12.638 -7.574 1.00 0.00 H new ATOM 1835 N LYS A 119 6.076 -10.078 -3.442 1.00 0.00 N ATOM 1836 CA LYS A 119 6.387 -10.191 -2.008 1.00 0.00 C ATOM 1837 C LYS A 119 6.572 -11.675 -1.658 1.00 0.00 C ATOM 1838 O LYS A 119 5.789 -12.536 -2.066 1.00 0.00 O ATOM 1839 CB LYS A 119 5.253 -9.507 -1.235 1.00 0.00 C ATOM 1840 CG LYS A 119 5.623 -8.919 0.134 1.00 0.00 C ATOM 1841 CD LYS A 119 5.863 -9.968 1.221 1.00 0.00 C ATOM 1842 CE LYS A 119 6.075 -9.304 2.584 1.00 0.00 C ATOM 1843 NZ LYS A 119 6.322 -10.325 3.615 1.00 0.00 N ATOM 0 H LYS A 119 5.085 -10.138 -3.677 1.00 0.00 H new ATOM 0 HA LYS A 119 7.318 -9.694 -1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.851 -8.705 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.451 -10.231 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.522 -8.312 0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.825 -8.252 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.012 -10.647 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.735 -10.569 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.919 -8.616 2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.198 -8.714 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.464 -9.862 4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.504 -10.965 3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 7.172 -10.870 3.367 1.00 0.00 H new ATOM 1857 N MET A 120 7.628 -11.971 -0.903 1.00 0.00 N ATOM 1858 CA MET A 120 8.033 -13.368 -0.684 1.00 0.00 C ATOM 1859 C MET A 120 7.735 -13.796 0.761 1.00 0.00 C ATOM 1860 O MET A 120 7.723 -12.984 1.686 1.00 0.00 O ATOM 1861 CB MET A 120 9.533 -13.456 -1.015 1.00 0.00 C ATOM 1862 CG MET A 120 10.086 -14.886 -1.006 1.00 0.00 C ATOM 1863 SD MET A 120 9.167 -15.904 -2.175 1.00 0.00 S ATOM 1864 CE MET A 120 9.961 -17.491 -1.873 1.00 0.00 C ATOM 0 H MET A 120 8.214 -11.278 -0.437 1.00 0.00 H new ATOM 0 HA MET A 120 7.472 -14.049 -1.324 1.00 0.00 H new ATOM 0 HB2 MET A 120 9.705 -13.016 -1.997 1.00 0.00 H new ATOM 0 HB3 MET A 120 10.090 -12.856 -0.295 1.00 0.00 H new ATOM 0 HG2 MET A 120 11.144 -14.878 -1.270 1.00 0.00 H new ATOM 0 HG3 MET A 120 10.010 -15.309 -0.004 1.00 0.00 H new ATOM 0 HE1 MET A 120 9.515 -18.249 -2.516 1.00 0.00 H new ATOM 0 HE2 MET A 120 11.026 -17.412 -2.090 1.00 0.00 H new ATOM 0 HE3 MET A 120 9.823 -17.774 -0.829 1.00 0.00 H new TER 1874 MET A 120