USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 HIS : no HD1:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0537 USER MOD Single : A 18 SER OG : rot 180:sc= -0.548 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.1! C(o=-2.1!,f=-7!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 31 MET CE :methyl -118:sc= -4.55! (180deg=-14.3!) USER MOD Single : A 34 TYR OH : rot -24:sc= 0.846 USER MOD Single : A 36 GLN : amide:sc= -0.315 K(o=-0.32,f=-3.1!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 39 CYS SG : rot 180:sc= -3.77! USER MOD Single : A 41 THR OG1 : rot 180:sc=0.000366 USER MOD Single : A 42 GLN : amide:sc= -1.46 K(o=-1.5,f=-7!) USER MOD Single : A 44 GLN : amide:sc= 0.741 K(o=0.74,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -150:sc= -0.649 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl -123:sc= 0 (180deg=-0.00322) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0945 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.599 F(o=-2.3,f=-0.6) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 36:sc= 0.499 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.062 USER MOD Single : A 71 THR OG1 : rot -80:sc= 1.01 USER MOD Single : A 74 LYS NZ :NH3+ 157:sc=-0.00799 (180deg=-0.231) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.231! C(o=-0.23!,f=-7.2!) USER MOD Single : A 114 LYS NZ :NH3+ 157:sc= 0.152 (180deg=-0.087) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -143:sc= 0.00903 (180deg=-0.0569) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -9.477 20.034 -2.588 1.00 0.00 N ATOM 60 CA GLY A 7 -8.327 19.326 -2.054 1.00 0.00 C ATOM 61 C GLY A 7 -7.115 19.473 -2.977 1.00 0.00 C ATOM 62 O GLY A 7 -7.084 20.357 -3.831 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.084 19.714 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.570 18.270 -1.932 1.00 0.00 H new ATOM 66 N PRO A 8 -6.121 18.569 -2.768 1.00 0.00 N ATOM 67 CA PRO A 8 -4.910 18.589 -3.571 1.00 0.00 C ATOM 68 C PRO A 8 -5.171 18.031 -4.971 1.00 0.00 C ATOM 69 O PRO A 8 -6.270 17.562 -5.261 1.00 0.00 O ATOM 70 CB PRO A 8 -3.901 17.770 -2.783 1.00 0.00 C ATOM 71 CG PRO A 8 -4.714 16.938 -1.804 1.00 0.00 C ATOM 72 CD PRO A 8 -6.123 17.507 -1.766 1.00 0.00 C ATOM 0 HA PRO A 8 -4.536 19.598 -3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.314 17.132 -3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.199 18.417 -2.257 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.733 15.893 -2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.264 16.968 -0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.865 16.743 -2.000 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.367 17.896 -0.777 1.00 0.00 H new ATOM 80 N HIS A 9 -4.141 18.099 -5.802 1.00 0.00 N ATOM 81 CA HIS A 9 -4.245 17.605 -7.165 1.00 0.00 C ATOM 82 C HIS A 9 -2.847 17.471 -7.770 1.00 0.00 C ATOM 83 O HIS A 9 -2.009 18.357 -7.609 1.00 0.00 O ATOM 84 CB HIS A 9 -5.168 18.498 -7.997 1.00 0.00 C ATOM 85 CG HIS A 9 -4.738 19.944 -8.052 1.00 0.00 C ATOM 86 ND1 HIS A 9 -5.405 20.951 -7.376 1.00 0.00 N ATOM 87 CD2 HIS A 9 -3.702 20.542 -8.708 1.00 0.00 C ATOM 88 CE1 HIS A 9 -4.790 22.099 -7.622 1.00 0.00 C ATOM 89 NE2 HIS A 9 -3.735 21.843 -8.448 1.00 0.00 N ATOM 0 H HIS A 9 -3.231 18.489 -5.558 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.699 16.614 -7.163 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.217 18.106 -9.013 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.176 18.445 -7.585 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -2.978 20.041 -9.333 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.074 23.067 -7.236 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.079 22.537 -8.807 1.00 0.00 H new ATOM 97 N GLY A 10 -2.638 16.356 -8.455 1.00 0.00 N ATOM 98 CA GLY A 10 -1.355 16.095 -9.086 1.00 0.00 C ATOM 99 C GLY A 10 -1.170 14.599 -9.352 1.00 0.00 C ATOM 100 O GLY A 10 -2.011 13.971 -9.993 1.00 0.00 O ATOM 0 H GLY A 10 -3.335 15.623 -8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.288 16.646 -10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.550 16.457 -8.446 1.00 0.00 H new ATOM 104 N THR A 11 -0.064 14.073 -8.847 1.00 0.00 N ATOM 105 CA THR A 11 0.242 12.664 -9.023 1.00 0.00 C ATOM 106 C THR A 11 0.744 12.060 -7.710 1.00 0.00 C ATOM 107 O THR A 11 1.441 12.723 -6.943 1.00 0.00 O ATOM 108 CB THR A 11 1.245 12.537 -10.172 1.00 0.00 C ATOM 109 OG1 THR A 11 0.547 13.058 -11.300 1.00 0.00 O ATOM 110 CG2 THR A 11 1.524 11.081 -10.547 1.00 0.00 C ATOM 0 H THR A 11 0.631 14.597 -8.316 1.00 0.00 H new ATOM 0 HA THR A 11 -0.650 12.096 -9.287 1.00 0.00 H new ATOM 0 HB THR A 11 2.179 13.026 -9.895 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.125 13.016 -12.090 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.242 11.048 -11.367 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.934 10.555 -9.685 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.596 10.601 -10.857 1.00 0.00 H new ATOM 118 N LEU A 12 0.370 10.807 -7.491 1.00 0.00 N ATOM 119 CA LEU A 12 0.773 10.106 -6.284 1.00 0.00 C ATOM 120 C LEU A 12 1.827 9.055 -6.638 1.00 0.00 C ATOM 121 O LEU A 12 1.753 8.427 -7.693 1.00 0.00 O ATOM 122 CB LEU A 12 -0.449 9.533 -5.564 1.00 0.00 C ATOM 123 CG LEU A 12 -0.166 8.451 -4.519 1.00 0.00 C ATOM 124 CD1 LEU A 12 0.105 7.102 -5.187 1.00 0.00 C ATOM 125 CD2 LEU A 12 0.976 8.871 -3.591 1.00 0.00 C ATOM 0 H LEU A 12 -0.208 10.260 -8.129 1.00 0.00 H new ATOM 0 HA LEU A 12 1.235 10.797 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.976 10.353 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.126 9.120 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.056 8.331 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.303 6.351 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.765 6.804 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.971 7.189 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.157 8.085 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.880 9.035 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.706 9.793 -3.075 1.00 0.00 H new ATOM 137 N GLU A 13 2.785 8.897 -5.736 1.00 0.00 N ATOM 138 CA GLU A 13 3.853 7.933 -5.939 1.00 0.00 C ATOM 139 C GLU A 13 3.945 6.982 -4.744 1.00 0.00 C ATOM 140 O GLU A 13 4.344 7.387 -3.654 1.00 0.00 O ATOM 141 CB GLU A 13 5.188 8.638 -6.183 1.00 0.00 C ATOM 142 CG GLU A 13 6.099 7.794 -7.077 1.00 0.00 C ATOM 143 CD GLU A 13 7.571 8.009 -6.719 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.866 8.009 -5.505 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.368 8.170 -7.669 1.00 0.00 O ATOM 0 H GLU A 13 2.844 9.421 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 13 3.622 7.346 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.011 9.607 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.682 8.828 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.845 6.740 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.933 8.056 -8.122 1.00 0.00 H new ATOM 152 N VAL A 14 3.568 5.736 -4.990 1.00 0.00 N ATOM 153 CA VAL A 14 3.603 4.724 -3.947 1.00 0.00 C ATOM 154 C VAL A 14 4.830 3.832 -4.149 1.00 0.00 C ATOM 155 O VAL A 14 4.953 3.163 -5.174 1.00 0.00 O ATOM 156 CB VAL A 14 2.289 3.940 -3.935 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.425 2.657 -3.112 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.139 4.805 -3.416 1.00 0.00 C ATOM 0 H VAL A 14 3.237 5.404 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 14 3.697 5.189 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 14 2.058 3.657 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.478 2.118 -3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.203 2.028 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.691 2.910 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.217 4.224 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.360 5.132 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.020 5.676 -4.060 1.00 0.00 H new ATOM 168 N VAL A 15 5.706 3.851 -3.156 1.00 0.00 N ATOM 169 CA VAL A 15 6.918 3.053 -3.211 1.00 0.00 C ATOM 170 C VAL A 15 6.780 1.857 -2.267 1.00 0.00 C ATOM 171 O VAL A 15 7.109 1.952 -1.086 1.00 0.00 O ATOM 172 CB VAL A 15 8.135 3.925 -2.896 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.428 3.111 -2.968 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.197 5.137 -3.829 1.00 0.00 C ATOM 0 H VAL A 15 5.600 4.407 -2.308 1.00 0.00 H new ATOM 0 HA VAL A 15 7.069 2.659 -4.216 1.00 0.00 H new ATOM 0 HB VAL A 15 8.028 4.292 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.277 3.756 -2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.386 2.297 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.544 2.700 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.071 5.740 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.268 4.797 -4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.296 5.737 -3.706 1.00 0.00 H new ATOM 184 N LEU A 16 6.292 0.757 -2.824 1.00 0.00 N ATOM 185 CA LEU A 16 6.106 -0.456 -2.047 1.00 0.00 C ATOM 186 C LEU A 16 7.472 -1.071 -1.734 1.00 0.00 C ATOM 187 O LEU A 16 8.008 -1.839 -2.532 1.00 0.00 O ATOM 188 CB LEU A 16 5.152 -1.412 -2.765 1.00 0.00 C ATOM 189 CG LEU A 16 5.244 -2.884 -2.359 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.726 -3.092 -0.934 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.521 -3.778 -3.368 1.00 0.00 C ATOM 0 H LEU A 16 6.020 0.681 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 16 5.632 -0.227 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.131 -1.072 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.336 -1.339 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 16 6.294 -3.176 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.802 -4.147 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.322 -2.500 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.684 -2.778 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.602 -4.819 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.470 -3.495 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.976 -3.658 -4.351 1.00 0.00 H new ATOM 203 N VAL A 17 7.996 -0.710 -0.572 1.00 0.00 N ATOM 204 CA VAL A 17 9.289 -1.217 -0.144 1.00 0.00 C ATOM 205 C VAL A 17 9.151 -2.690 0.245 1.00 0.00 C ATOM 206 O VAL A 17 9.465 -3.577 -0.547 1.00 0.00 O ATOM 207 CB VAL A 17 9.843 -0.348 0.987 1.00 0.00 C ATOM 208 CG1 VAL A 17 11.224 -0.838 1.427 1.00 0.00 C ATOM 209 CG2 VAL A 17 9.888 1.125 0.576 1.00 0.00 C ATOM 0 H VAL A 17 7.549 -0.072 0.087 1.00 0.00 H new ATOM 0 HA VAL A 17 10.010 -1.163 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 17 9.169 -0.436 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.596 -0.204 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.150 -1.866 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.912 -0.793 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.286 1.720 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.529 1.239 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.881 1.466 0.335 1.00 0.00 H new ATOM 219 N SER A 18 8.681 -2.905 1.465 1.00 0.00 N ATOM 220 CA SER A 18 8.497 -4.255 1.969 1.00 0.00 C ATOM 221 C SER A 18 7.358 -4.283 2.990 1.00 0.00 C ATOM 222 O SER A 18 6.498 -3.403 2.989 1.00 0.00 O ATOM 223 CB SER A 18 9.786 -4.788 2.598 1.00 0.00 C ATOM 224 OG SER A 18 9.842 -4.532 3.999 1.00 0.00 O ATOM 0 H SER A 18 8.422 -2.167 2.119 1.00 0.00 H new ATOM 0 HA SER A 18 8.239 -4.901 1.130 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.858 -5.861 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.645 -4.327 2.111 1.00 0.00 H new ATOM 0 HG SER A 18 10.679 -4.889 4.364 1.00 0.00 H new ATOM 230 N ALA A 19 7.388 -5.302 3.835 1.00 0.00 N ATOM 231 CA ALA A 19 6.368 -5.456 4.859 1.00 0.00 C ATOM 232 C ALA A 19 6.913 -6.334 5.987 1.00 0.00 C ATOM 233 O ALA A 19 7.350 -7.459 5.747 1.00 0.00 O ATOM 234 CB ALA A 19 5.098 -6.033 4.232 1.00 0.00 C ATOM 0 H ALA A 19 8.103 -6.030 3.832 1.00 0.00 H new ATOM 0 HA ALA A 19 6.108 -4.489 5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.333 -6.148 5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.735 -5.357 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.319 -7.005 3.791 1.00 0.00 H new ATOM 240 N LYS A 20 6.868 -5.788 7.193 1.00 0.00 N ATOM 241 CA LYS A 20 7.351 -6.508 8.359 1.00 0.00 C ATOM 242 C LYS A 20 6.173 -7.196 9.053 1.00 0.00 C ATOM 243 O LYS A 20 5.026 -6.781 8.895 1.00 0.00 O ATOM 244 CB LYS A 20 8.144 -5.574 9.276 1.00 0.00 C ATOM 245 CG LYS A 20 9.607 -6.011 9.372 1.00 0.00 C ATOM 246 CD LYS A 20 10.538 -4.799 9.434 1.00 0.00 C ATOM 247 CE LYS A 20 10.717 -4.318 10.875 1.00 0.00 C ATOM 248 NZ LYS A 20 11.890 -3.423 10.981 1.00 0.00 N ATOM 0 H LYS A 20 6.504 -4.855 7.388 1.00 0.00 H new ATOM 0 HA LYS A 20 8.048 -7.291 8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.090 -4.554 8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.697 -5.568 10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.748 -6.628 10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.863 -6.627 8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.508 -5.059 9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.131 -3.992 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.820 -3.792 11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.845 -5.174 11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.997 -3.106 11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.746 -3.936 10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.753 -2.597 10.364 1.00 0.00 H new ATOM 262 N GLY A 21 6.497 -8.237 9.806 1.00 0.00 N ATOM 263 CA GLY A 21 5.481 -8.987 10.524 1.00 0.00 C ATOM 264 C GLY A 21 5.674 -8.863 12.037 1.00 0.00 C ATOM 265 O GLY A 21 6.008 -7.791 12.538 1.00 0.00 O ATOM 0 H GLY A 21 7.449 -8.579 9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.492 -8.621 10.249 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.525 -10.037 10.233 1.00 0.00 H new ATOM 269 N LEU A 22 5.457 -9.977 12.721 1.00 0.00 N ATOM 270 CA LEU A 22 5.603 -10.007 14.167 1.00 0.00 C ATOM 271 C LEU A 22 5.710 -11.460 14.634 1.00 0.00 C ATOM 272 O LEU A 22 5.962 -12.357 13.831 1.00 0.00 O ATOM 273 CB LEU A 22 4.469 -9.227 14.837 1.00 0.00 C ATOM 274 CG LEU A 22 3.052 -9.730 14.555 1.00 0.00 C ATOM 275 CD1 LEU A 22 2.016 -8.646 14.858 1.00 0.00 C ATOM 276 CD2 LEU A 22 2.931 -10.254 13.122 1.00 0.00 C ATOM 0 H LEU A 22 5.181 -10.865 12.301 1.00 0.00 H new ATOM 0 HA LEU A 22 6.523 -9.506 14.467 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.631 -9.243 15.915 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.534 -8.186 14.520 1.00 0.00 H new ATOM 0 HG LEU A 22 2.847 -10.567 15.222 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.017 -9.029 14.649 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.083 -8.362 15.908 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.208 -7.774 14.233 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.914 -10.605 12.948 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.163 -9.453 12.421 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.630 -11.078 12.976 1.00 0.00 H new ATOM 288 N GLU A 23 5.514 -11.647 15.931 1.00 0.00 N ATOM 289 CA GLU A 23 5.586 -12.975 16.515 1.00 0.00 C ATOM 290 C GLU A 23 4.214 -13.396 17.046 1.00 0.00 C ATOM 291 O GLU A 23 3.914 -14.586 17.127 1.00 0.00 O ATOM 292 CB GLU A 23 6.643 -13.033 17.619 1.00 0.00 C ATOM 293 CG GLU A 23 6.279 -12.101 18.776 1.00 0.00 C ATOM 294 CD GLU A 23 7.490 -11.843 19.675 1.00 0.00 C ATOM 295 OE1 GLU A 23 7.759 -12.716 20.528 1.00 0.00 O ATOM 296 OE2 GLU A 23 8.119 -10.780 19.488 1.00 0.00 O ATOM 0 H GLU A 23 5.305 -10.900 16.594 1.00 0.00 H new ATOM 0 HA GLU A 23 5.884 -13.677 15.736 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.735 -14.055 17.986 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.614 -12.752 17.212 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.906 -11.155 18.382 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.473 -12.542 19.363 1.00 0.00 H new ATOM 303 N ASP A 24 3.418 -12.396 17.396 1.00 0.00 N ATOM 304 CA ASP A 24 2.086 -12.647 17.918 1.00 0.00 C ATOM 305 C ASP A 24 1.059 -12.447 16.801 1.00 0.00 C ATOM 306 O ASP A 24 0.032 -11.802 17.006 1.00 0.00 O ATOM 307 CB ASP A 24 1.747 -11.678 19.052 1.00 0.00 C ATOM 308 CG ASP A 24 0.277 -11.670 19.478 1.00 0.00 C ATOM 309 OD1 ASP A 24 -0.326 -12.765 19.456 1.00 0.00 O ATOM 310 OD2 ASP A 24 -0.210 -10.570 19.815 1.00 0.00 O ATOM 0 H ASP A 24 3.671 -11.410 17.328 1.00 0.00 H new ATOM 0 HA ASP A 24 2.059 -13.669 18.297 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.359 -11.928 19.918 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.026 -10.670 18.744 1.00 0.00 H new ATOM 315 N ALA A 25 1.373 -13.011 15.644 1.00 0.00 N ATOM 316 CA ALA A 25 0.491 -12.903 14.495 1.00 0.00 C ATOM 317 C ALA A 25 1.128 -13.612 13.299 1.00 0.00 C ATOM 318 O ALA A 25 2.048 -13.083 12.676 1.00 0.00 O ATOM 319 CB ALA A 25 0.201 -11.427 14.211 1.00 0.00 C ATOM 0 H ALA A 25 2.226 -13.544 15.478 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.463 -13.390 14.697 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.461 -11.346 13.349 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.278 -10.977 15.080 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.135 -10.906 14.002 1.00 0.00 H new ATOM 325 N ASP A 26 0.615 -14.800 13.014 1.00 0.00 N ATOM 326 CA ASP A 26 1.123 -15.588 11.903 1.00 0.00 C ATOM 327 C ASP A 26 0.809 -14.870 10.589 1.00 0.00 C ATOM 328 O ASP A 26 -0.329 -14.890 10.123 1.00 0.00 O ATOM 329 CB ASP A 26 0.462 -16.967 11.859 1.00 0.00 C ATOM 330 CG ASP A 26 0.481 -17.649 10.489 1.00 0.00 C ATOM 331 OD1 ASP A 26 1.430 -17.365 9.727 1.00 0.00 O ATOM 332 OD2 ASP A 26 -0.453 -18.439 10.236 1.00 0.00 O ATOM 0 H ASP A 26 -0.147 -15.236 13.533 1.00 0.00 H new ATOM 0 HA ASP A 26 2.198 -15.708 12.037 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.961 -17.616 12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.573 -16.868 12.185 1.00 0.00 H new ATOM 337 N PHE A 27 1.839 -14.252 10.029 1.00 0.00 N ATOM 338 CA PHE A 27 1.687 -13.530 8.777 1.00 0.00 C ATOM 339 C PHE A 27 2.994 -13.532 7.981 1.00 0.00 C ATOM 340 O PHE A 27 4.062 -13.271 8.533 1.00 0.00 O ATOM 341 CB PHE A 27 1.324 -12.087 9.135 1.00 0.00 C ATOM 342 CG PHE A 27 1.185 -11.162 7.924 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.350 -11.498 6.904 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.895 -10.004 7.868 1.00 0.00 C ATOM 345 CE1 PHE A 27 0.221 -10.640 5.781 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.766 -9.145 6.744 1.00 0.00 C ATOM 347 CZ PHE A 27 0.931 -9.482 5.724 1.00 0.00 C ATOM 0 H PHE A 27 2.781 -14.236 10.419 1.00 0.00 H new ATOM 0 HA PHE A 27 0.919 -14.003 8.165 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.386 -12.086 9.690 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.088 -11.685 9.800 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.215 -12.418 6.949 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.557 -9.737 8.678 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.442 -10.907 4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.330 -8.225 6.699 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.832 -8.830 4.869 1.00 0.00 H new ATOM 357 N LEU A 28 2.866 -13.829 6.696 1.00 0.00 N ATOM 358 CA LEU A 28 4.024 -13.868 5.819 1.00 0.00 C ATOM 359 C LEU A 28 4.997 -14.940 6.314 1.00 0.00 C ATOM 360 O LEU A 28 5.996 -14.625 6.958 1.00 0.00 O ATOM 361 CB LEU A 28 4.650 -12.478 5.695 1.00 0.00 C ATOM 362 CG LEU A 28 4.028 -11.552 4.648 1.00 0.00 C ATOM 363 CD1 LEU A 28 2.530 -11.825 4.495 1.00 0.00 C ATOM 364 CD2 LEU A 28 4.313 -10.085 4.974 1.00 0.00 C ATOM 0 H LEU A 28 1.979 -14.045 6.241 1.00 0.00 H new ATOM 0 HA LEU A 28 3.727 -14.149 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.591 -11.987 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.708 -12.598 5.462 1.00 0.00 H new ATOM 0 HG LEU A 28 4.494 -11.764 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.113 -11.153 3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.379 -12.858 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.030 -11.658 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.860 -9.449 4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.893 -9.841 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.390 -9.919 4.991 1.00 0.00 H new ATOM 376 N ASN A 29 4.671 -16.183 5.993 1.00 0.00 N ATOM 377 CA ASN A 29 5.504 -17.303 6.397 1.00 0.00 C ATOM 378 C ASN A 29 5.302 -18.463 5.420 1.00 0.00 C ATOM 379 O ASN A 29 4.180 -18.930 5.229 1.00 0.00 O ATOM 380 CB ASN A 29 5.128 -17.793 7.797 1.00 0.00 C ATOM 381 CG ASN A 29 5.965 -19.010 8.195 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.068 -19.989 7.474 1.00 0.00 O ATOM 383 ND2 ASN A 29 6.556 -18.894 9.381 1.00 0.00 N ATOM 0 H ASN A 29 3.841 -16.440 5.458 1.00 0.00 H new ATOM 0 HA ASN A 29 6.541 -16.968 6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.279 -16.991 8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.069 -18.051 7.824 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.137 -19.653 9.737 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.428 -18.047 9.934 1.00 0.00 H new ATOM 390 N ASN A 30 6.405 -18.893 4.826 1.00 0.00 N ATOM 391 CA ASN A 30 6.363 -19.989 3.873 1.00 0.00 C ATOM 392 C ASN A 30 5.266 -19.720 2.841 1.00 0.00 C ATOM 393 O ASN A 30 4.309 -20.484 2.733 1.00 0.00 O ATOM 394 CB ASN A 30 6.042 -21.313 4.569 1.00 0.00 C ATOM 395 CG ASN A 30 6.684 -22.490 3.832 1.00 0.00 C ATOM 396 OD1 ASN A 30 7.893 -22.643 3.787 1.00 0.00 O ATOM 397 ND2 ASN A 30 5.808 -23.310 3.258 1.00 0.00 N ATOM 0 H ASN A 30 7.334 -18.502 4.986 1.00 0.00 H new ATOM 0 HA ASN A 30 7.341 -20.059 3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.402 -21.284 5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.962 -21.452 4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.136 -24.126 2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.808 -23.123 3.335 1.00 0.00 H new ATOM 404 N MET A 31 5.442 -18.630 2.107 1.00 0.00 N ATOM 405 CA MET A 31 4.479 -18.251 1.088 1.00 0.00 C ATOM 406 C MET A 31 5.057 -17.180 0.160 1.00 0.00 C ATOM 407 O MET A 31 6.163 -16.690 0.383 1.00 0.00 O ATOM 408 CB MET A 31 3.211 -17.717 1.756 1.00 0.00 C ATOM 409 CG MET A 31 3.556 -16.797 2.930 1.00 0.00 C ATOM 410 SD MET A 31 2.061 -16.257 3.741 1.00 0.00 S ATOM 411 CE MET A 31 1.342 -15.268 2.440 1.00 0.00 C ATOM 0 H MET A 31 6.237 -17.998 2.198 1.00 0.00 H new ATOM 0 HA MET A 31 4.242 -19.133 0.493 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.613 -17.172 1.026 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.603 -18.550 2.108 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.195 -17.323 3.639 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.118 -15.934 2.574 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.255 -14.234 2.775 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.979 -15.311 1.556 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.353 -15.654 2.193 1.00 0.00 H new ATOM 421 N ASP A 32 4.282 -16.848 -0.863 1.00 0.00 N ATOM 422 CA ASP A 32 4.703 -15.845 -1.826 1.00 0.00 C ATOM 423 C ASP A 32 3.596 -14.800 -1.984 1.00 0.00 C ATOM 424 O ASP A 32 2.956 -14.722 -3.031 1.00 0.00 O ATOM 425 CB ASP A 32 4.961 -16.471 -3.197 1.00 0.00 C ATOM 426 CG ASP A 32 6.192 -17.376 -3.274 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.807 -17.589 -2.206 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.491 -17.835 -4.398 1.00 0.00 O ATOM 0 H ASP A 32 3.365 -17.256 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 32 5.623 -15.391 -1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.084 -17.051 -3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.070 -15.672 -3.930 1.00 0.00 H new ATOM 433 N PRO A 33 3.399 -14.003 -0.900 1.00 0.00 N ATOM 434 CA PRO A 33 2.381 -12.966 -0.908 1.00 0.00 C ATOM 435 C PRO A 33 2.824 -11.769 -1.752 1.00 0.00 C ATOM 436 O PRO A 33 4.000 -11.644 -2.088 1.00 0.00 O ATOM 437 CB PRO A 33 2.165 -12.615 0.555 1.00 0.00 C ATOM 438 CG PRO A 33 3.392 -13.128 1.292 1.00 0.00 C ATOM 439 CD PRO A 33 4.138 -14.066 0.358 1.00 0.00 C ATOM 0 HA PRO A 33 1.448 -13.296 -1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.052 -11.539 0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.257 -13.080 0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.032 -12.298 1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.100 -13.650 2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.173 -13.752 0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.162 -15.082 0.753 1.00 0.00 H new ATOM 447 N TYR A 34 1.858 -10.920 -2.069 1.00 0.00 N ATOM 448 CA TYR A 34 2.133 -9.738 -2.867 1.00 0.00 C ATOM 449 C TYR A 34 1.210 -8.583 -2.473 1.00 0.00 C ATOM 450 O TYR A 34 0.060 -8.804 -2.097 1.00 0.00 O ATOM 451 CB TYR A 34 1.847 -10.131 -4.318 1.00 0.00 C ATOM 452 CG TYR A 34 0.462 -10.743 -4.535 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.282 -12.106 -4.414 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.609 -9.932 -4.852 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.022 -12.681 -4.618 1.00 0.00 C ATOM 456 CE2 TYR A 34 -1.913 -10.507 -5.056 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.055 -11.854 -4.929 1.00 0.00 C ATOM 458 OH TYR A 34 -3.287 -12.397 -5.123 1.00 0.00 O ATOM 0 H TYR A 34 0.884 -11.027 -1.787 1.00 0.00 H new ATOM 0 HA TYR A 34 3.161 -9.407 -2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.946 -9.248 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.603 -10.844 -4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.119 -12.741 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.469 -8.865 -4.947 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.176 -13.746 -4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.759 -9.883 -5.304 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.193 -13.336 -5.388 1.00 0.00 H new ATOM 468 N VAL A 35 1.748 -7.376 -2.574 1.00 0.00 N ATOM 469 CA VAL A 35 0.986 -6.187 -2.232 1.00 0.00 C ATOM 470 C VAL A 35 0.280 -5.662 -3.484 1.00 0.00 C ATOM 471 O VAL A 35 0.877 -5.601 -4.558 1.00 0.00 O ATOM 472 CB VAL A 35 1.903 -5.148 -1.583 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.127 -3.877 -1.231 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.598 -5.725 -0.349 1.00 0.00 C ATOM 0 H VAL A 35 2.702 -7.196 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 35 0.215 -6.424 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 35 2.673 -4.881 -2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.801 -3.155 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.700 -3.449 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.326 -4.121 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.244 -4.966 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.848 -6.033 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.198 -6.587 -0.639 1.00 0.00 H new ATOM 484 N GLN A 36 -0.981 -5.297 -3.304 1.00 0.00 N ATOM 485 CA GLN A 36 -1.774 -4.779 -4.406 1.00 0.00 C ATOM 486 C GLN A 36 -2.359 -3.413 -4.043 1.00 0.00 C ATOM 487 O GLN A 36 -3.343 -3.329 -3.310 1.00 0.00 O ATOM 488 CB GLN A 36 -2.880 -5.763 -4.794 1.00 0.00 C ATOM 489 CG GLN A 36 -3.823 -5.146 -5.829 1.00 0.00 C ATOM 490 CD GLN A 36 -5.286 -5.340 -5.422 1.00 0.00 C ATOM 491 OE1 GLN A 36 -5.601 -5.728 -4.309 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.158 -5.048 -6.382 1.00 0.00 N ATOM 0 H GLN A 36 -1.473 -5.350 -2.412 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.122 -4.655 -5.271 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.437 -6.673 -5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.445 -6.049 -3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.609 -4.082 -5.933 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.649 -5.603 -6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.826 -4.728 -7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.159 -5.144 -6.209 1.00 0.00 H new ATOM 501 N LEU A 37 -1.727 -2.375 -4.573 1.00 0.00 N ATOM 502 CA LEU A 37 -2.172 -1.016 -4.314 1.00 0.00 C ATOM 503 C LEU A 37 -3.505 -0.776 -5.026 1.00 0.00 C ATOM 504 O LEU A 37 -3.693 -1.210 -6.162 1.00 0.00 O ATOM 505 CB LEU A 37 -1.082 -0.014 -4.695 1.00 0.00 C ATOM 506 CG LEU A 37 0.181 -0.034 -3.831 1.00 0.00 C ATOM 507 CD1 LEU A 37 -0.049 -0.831 -2.545 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.379 -0.559 -4.624 1.00 0.00 C ATOM 0 H LEU A 37 -0.911 -2.448 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.349 -0.869 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.793 -0.198 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.508 0.988 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 37 0.413 0.990 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.863 -0.830 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.857 -0.374 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.317 -1.857 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.263 -0.563 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.173 -1.574 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.555 0.085 -5.486 1.00 0.00 H new ATOM 520 N THR A 38 -4.396 -0.087 -4.329 1.00 0.00 N ATOM 521 CA THR A 38 -5.706 0.216 -4.881 1.00 0.00 C ATOM 522 C THR A 38 -6.054 1.688 -4.651 1.00 0.00 C ATOM 523 O THR A 38 -5.972 2.181 -3.527 1.00 0.00 O ATOM 524 CB THR A 38 -6.716 -0.751 -4.261 1.00 0.00 C ATOM 525 OG1 THR A 38 -5.982 -1.962 -4.097 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.840 -1.125 -5.229 1.00 0.00 C ATOM 0 H THR A 38 -4.237 0.270 -3.387 1.00 0.00 H new ATOM 0 HA THR A 38 -5.722 0.076 -5.962 1.00 0.00 H new ATOM 0 HB THR A 38 -7.144 -0.302 -3.364 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.562 -2.644 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.529 -1.813 -4.739 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.377 -0.225 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.416 -1.604 -6.112 1.00 0.00 H new ATOM 534 N CYS A 39 -6.435 2.349 -5.734 1.00 0.00 N ATOM 535 CA CYS A 39 -6.796 3.755 -5.665 1.00 0.00 C ATOM 536 C CYS A 39 -8.111 3.952 -6.422 1.00 0.00 C ATOM 537 O CYS A 39 -8.106 4.210 -7.625 1.00 0.00 O ATOM 538 CB CYS A 39 -5.684 4.652 -6.210 1.00 0.00 C ATOM 539 SG CYS A 39 -5.261 5.942 -4.982 1.00 0.00 S ATOM 0 H CYS A 39 -6.502 1.937 -6.665 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.931 4.047 -4.624 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.802 4.053 -6.439 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.005 5.117 -7.142 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.314 6.697 -5.454 1.00 0.00 H new ATOM 545 N ARG A 40 -9.206 3.822 -5.687 1.00 0.00 N ATOM 546 CA ARG A 40 -10.525 3.982 -6.274 1.00 0.00 C ATOM 547 C ARG A 40 -10.764 2.911 -7.341 1.00 0.00 C ATOM 548 O ARG A 40 -11.263 1.828 -7.038 1.00 0.00 O ATOM 549 CB ARG A 40 -10.682 5.366 -6.907 1.00 0.00 C ATOM 550 CG ARG A 40 -11.353 6.339 -5.935 1.00 0.00 C ATOM 551 CD ARG A 40 -10.569 6.434 -4.625 1.00 0.00 C ATOM 552 NE ARG A 40 -11.331 7.227 -3.635 1.00 0.00 N ATOM 553 CZ ARG A 40 -10.968 7.379 -2.354 1.00 0.00 C ATOM 554 NH1 ARG A 40 -9.851 6.794 -1.900 1.00 0.00 N ATOM 555 NH2 ARG A 40 -11.721 8.117 -1.527 1.00 0.00 N ATOM 0 H ARG A 40 -9.206 3.608 -4.690 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.259 3.875 -5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.704 5.751 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.276 5.288 -7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.423 7.326 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.372 6.009 -5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.377 5.435 -4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.599 6.897 -4.805 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.186 7.687 -3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.277 6.233 -2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.575 6.910 -0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.571 8.563 -1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.445 8.233 -0.552 1.00 0.00 H new ATOM 569 N THR A 41 -10.397 3.252 -8.568 1.00 0.00 N ATOM 570 CA THR A 41 -10.566 2.333 -9.681 1.00 0.00 C ATOM 571 C THR A 41 -9.204 1.880 -10.210 1.00 0.00 C ATOM 572 O THR A 41 -9.130 1.064 -11.127 1.00 0.00 O ATOM 573 CB THR A 41 -11.428 3.026 -10.739 1.00 0.00 C ATOM 574 OG1 THR A 41 -10.711 4.218 -11.045 1.00 0.00 O ATOM 575 CG2 THR A 41 -12.759 3.525 -10.174 1.00 0.00 C ATOM 0 H THR A 41 -9.984 4.151 -8.816 1.00 0.00 H new ATOM 0 HA THR A 41 -11.078 1.423 -9.368 1.00 0.00 H new ATOM 0 HB THR A 41 -11.619 2.336 -11.561 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.199 4.728 -11.725 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.332 4.008 -10.965 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.326 2.682 -9.779 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.569 4.241 -9.374 1.00 0.00 H new ATOM 583 N GLN A 42 -8.159 2.428 -9.608 1.00 0.00 N ATOM 584 CA GLN A 42 -6.803 2.091 -10.006 1.00 0.00 C ATOM 585 C GLN A 42 -6.252 0.972 -9.119 1.00 0.00 C ATOM 586 O GLN A 42 -6.199 1.113 -7.898 1.00 0.00 O ATOM 587 CB GLN A 42 -5.896 3.322 -9.963 1.00 0.00 C ATOM 588 CG GLN A 42 -6.376 4.391 -10.946 1.00 0.00 C ATOM 589 CD GLN A 42 -6.146 5.796 -10.383 1.00 0.00 C ATOM 590 OE1 GLN A 42 -5.915 5.989 -9.201 1.00 0.00 O ATOM 591 NE2 GLN A 42 -6.222 6.762 -11.294 1.00 0.00 N ATOM 0 H GLN A 42 -8.224 3.104 -8.847 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.826 1.734 -11.036 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.881 3.732 -8.953 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.873 3.033 -10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.847 4.284 -11.893 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.436 4.248 -11.155 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.419 6.530 -12.268 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.083 7.734 -11.019 1.00 0.00 H new ATOM 600 N ASP A 43 -5.856 -0.113 -9.767 1.00 0.00 N ATOM 601 CA ASP A 43 -5.311 -1.255 -9.052 1.00 0.00 C ATOM 602 C ASP A 43 -3.952 -1.624 -9.649 1.00 0.00 C ATOM 603 O ASP A 43 -3.805 -1.699 -10.868 1.00 0.00 O ATOM 604 CB ASP A 43 -6.229 -2.473 -9.178 1.00 0.00 C ATOM 605 CG ASP A 43 -7.450 -2.272 -10.078 1.00 0.00 C ATOM 606 OD1 ASP A 43 -8.215 -1.326 -9.793 1.00 0.00 O ATOM 607 OD2 ASP A 43 -7.590 -3.069 -11.030 1.00 0.00 O ATOM 0 H ASP A 43 -5.901 -0.226 -10.780 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.217 -0.981 -8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.646 -3.310 -9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.572 -2.755 -8.183 1.00 0.00 H new ATOM 612 N GLN A 44 -2.992 -1.844 -8.763 1.00 0.00 N ATOM 613 CA GLN A 44 -1.650 -2.203 -9.187 1.00 0.00 C ATOM 614 C GLN A 44 -0.926 -2.962 -8.073 1.00 0.00 C ATOM 615 O GLN A 44 -0.786 -2.455 -6.961 1.00 0.00 O ATOM 616 CB GLN A 44 -0.858 -0.964 -9.610 1.00 0.00 C ATOM 617 CG GLN A 44 -1.549 -0.241 -10.767 1.00 0.00 C ATOM 618 CD GLN A 44 -0.703 0.934 -11.263 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.273 0.772 -11.976 1.00 0.00 O ATOM 620 NE2 GLN A 44 -1.132 2.122 -10.847 1.00 0.00 N ATOM 0 H GLN A 44 -3.117 -1.780 -7.753 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.728 -2.858 -10.055 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.756 -0.286 -8.762 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.149 -1.256 -9.908 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.723 -0.940 -11.585 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.525 0.120 -10.444 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.957 2.186 -10.251 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.636 2.969 -11.124 1.00 0.00 H new ATOM 629 N LYS A 45 -0.485 -4.166 -8.409 1.00 0.00 N ATOM 630 CA LYS A 45 0.220 -4.999 -7.451 1.00 0.00 C ATOM 631 C LYS A 45 1.579 -5.397 -8.031 1.00 0.00 C ATOM 632 O LYS A 45 1.838 -5.189 -9.215 1.00 0.00 O ATOM 633 CB LYS A 45 -0.645 -6.192 -7.039 1.00 0.00 C ATOM 634 CG LYS A 45 -0.651 -7.267 -8.128 1.00 0.00 C ATOM 635 CD LYS A 45 -2.046 -7.875 -8.291 1.00 0.00 C ATOM 636 CE LYS A 45 -2.006 -9.102 -9.203 1.00 0.00 C ATOM 637 NZ LYS A 45 -2.859 -8.891 -10.394 1.00 0.00 N ATOM 0 H LYS A 45 -0.603 -4.584 -9.332 1.00 0.00 H new ATOM 0 HA LYS A 45 0.414 -4.443 -6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.268 -6.615 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.665 -5.858 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.327 -6.833 -9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.064 -8.050 -7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.440 -8.156 -7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.725 -7.130 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.980 -9.298 -9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.347 -9.981 -8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.820 -9.734 -11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.841 -8.726 -10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.516 -8.065 -10.925 1.00 0.00 H new ATOM 651 N SER A 46 2.412 -5.962 -7.169 1.00 0.00 N ATOM 652 CA SER A 46 3.738 -6.391 -7.581 1.00 0.00 C ATOM 653 C SER A 46 3.818 -7.919 -7.580 1.00 0.00 C ATOM 654 O SER A 46 2.893 -8.592 -7.127 1.00 0.00 O ATOM 655 CB SER A 46 4.815 -5.802 -6.668 1.00 0.00 C ATOM 656 OG SER A 46 6.071 -5.684 -7.331 1.00 0.00 O ATOM 0 H SER A 46 2.194 -6.133 -6.187 1.00 0.00 H new ATOM 0 HA SER A 46 3.917 -6.026 -8.592 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.496 -4.820 -6.318 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.928 -6.433 -5.787 1.00 0.00 H new ATOM 0 HG SER A 46 6.796 -5.775 -6.678 1.00 0.00 H new ATOM 662 N ASN A 47 4.932 -8.421 -8.091 1.00 0.00 N ATOM 663 CA ASN A 47 5.144 -9.857 -8.155 1.00 0.00 C ATOM 664 C ASN A 47 4.988 -10.454 -6.755 1.00 0.00 C ATOM 665 O ASN A 47 4.738 -9.731 -5.792 1.00 0.00 O ATOM 666 CB ASN A 47 6.554 -10.184 -8.653 1.00 0.00 C ATOM 667 CG ASN A 47 6.580 -10.310 -10.178 1.00 0.00 C ATOM 668 OD1 ASN A 47 6.308 -11.356 -10.745 1.00 0.00 O ATOM 669 ND2 ASN A 47 6.923 -9.190 -10.807 1.00 0.00 N ATOM 0 H ASN A 47 5.697 -7.859 -8.464 1.00 0.00 H new ATOM 0 HA ASN A 47 4.411 -10.275 -8.845 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.246 -9.403 -8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 47 6.897 -11.115 -8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.971 -9.171 -11.826 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.138 -8.349 -10.271 1.00 0.00 H new ATOM 676 N VAL A 48 5.142 -11.768 -6.686 1.00 0.00 N ATOM 677 CA VAL A 48 5.021 -12.471 -5.419 1.00 0.00 C ATOM 678 C VAL A 48 6.401 -12.578 -4.767 1.00 0.00 C ATOM 679 O VAL A 48 7.399 -12.806 -5.450 1.00 0.00 O ATOM 680 CB VAL A 48 4.355 -13.831 -5.637 1.00 0.00 C ATOM 681 CG1 VAL A 48 3.161 -13.711 -6.585 1.00 0.00 C ATOM 682 CG2 VAL A 48 5.364 -14.859 -6.153 1.00 0.00 C ATOM 0 H VAL A 48 5.350 -12.365 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 48 4.380 -11.917 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 48 3.984 -14.180 -4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.706 -14.692 -6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.427 -13.027 -6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.498 -13.329 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.865 -15.817 -6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.779 -14.517 -7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.168 -14.976 -5.426 1.00 0.00 H new ATOM 692 N ALA A 49 6.414 -12.408 -3.453 1.00 0.00 N ATOM 693 CA ALA A 49 7.655 -12.483 -2.701 1.00 0.00 C ATOM 694 C ALA A 49 8.074 -13.948 -2.562 1.00 0.00 C ATOM 695 O ALA A 49 7.746 -14.600 -1.572 1.00 0.00 O ATOM 696 CB ALA A 49 7.472 -11.798 -1.345 1.00 0.00 C ATOM 0 H ALA A 49 5.585 -12.219 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 49 8.454 -11.960 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.403 -11.854 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.203 -10.753 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.680 -12.298 -0.789 1.00 0.00 H new ATOM 702 N GLU A 50 8.794 -14.422 -3.568 1.00 0.00 N ATOM 703 CA GLU A 50 9.262 -15.798 -3.570 1.00 0.00 C ATOM 704 C GLU A 50 10.266 -16.019 -2.438 1.00 0.00 C ATOM 705 O GLU A 50 11.303 -15.358 -2.385 1.00 0.00 O ATOM 706 CB GLU A 50 9.871 -16.167 -4.924 1.00 0.00 C ATOM 707 CG GLU A 50 8.834 -16.052 -6.043 1.00 0.00 C ATOM 708 CD GLU A 50 9.506 -15.769 -7.387 1.00 0.00 C ATOM 709 OE1 GLU A 50 10.356 -16.597 -7.782 1.00 0.00 O ATOM 710 OE2 GLU A 50 9.155 -14.733 -7.991 1.00 0.00 O ATOM 0 H GLU A 50 9.065 -13.878 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 50 8.407 -16.453 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.715 -15.512 -5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.259 -17.185 -4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.259 -16.976 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.129 -15.254 -5.810 1.00 0.00 H new ATOM 717 N GLY A 51 9.924 -16.950 -1.559 1.00 0.00 N ATOM 718 CA GLY A 51 10.783 -17.266 -0.431 1.00 0.00 C ATOM 719 C GLY A 51 11.458 -16.006 0.114 1.00 0.00 C ATOM 720 O GLY A 51 12.640 -15.773 -0.136 1.00 0.00 O ATOM 0 H GLY A 51 9.063 -17.496 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.196 -17.738 0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.542 -17.986 -0.738 1.00 0.00 H new ATOM 724 N MET A 52 10.679 -15.227 0.849 1.00 0.00 N ATOM 725 CA MET A 52 11.187 -13.996 1.432 1.00 0.00 C ATOM 726 C MET A 52 11.163 -14.062 2.960 1.00 0.00 C ATOM 727 O MET A 52 12.020 -13.482 3.624 1.00 0.00 O ATOM 728 CB MET A 52 10.335 -12.817 0.958 1.00 0.00 C ATOM 729 CG MET A 52 10.683 -12.432 -0.481 1.00 0.00 C ATOM 730 SD MET A 52 12.177 -11.456 -0.508 1.00 0.00 S ATOM 731 CE MET A 52 12.083 -10.792 -2.162 1.00 0.00 C ATOM 0 H MET A 52 9.700 -15.424 1.055 1.00 0.00 H new ATOM 0 HA MET A 52 12.220 -13.862 1.109 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.279 -13.078 1.023 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.493 -11.962 1.615 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.815 -13.330 -1.085 1.00 0.00 H new ATOM 0 HG3 MET A 52 9.862 -11.868 -0.924 1.00 0.00 H new ATOM 0 HE1 MET A 52 12.983 -11.062 -2.714 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.209 -11.201 -2.669 1.00 0.00 H new ATOM 0 HE3 MET A 52 11.999 -9.706 -2.114 1.00 0.00 H new ATOM 741 N GLY A 53 10.172 -14.776 3.474 1.00 0.00 N ATOM 742 CA GLY A 53 10.024 -14.925 4.912 1.00 0.00 C ATOM 743 C GLY A 53 8.934 -13.997 5.451 1.00 0.00 C ATOM 744 O GLY A 53 7.928 -13.761 4.784 1.00 0.00 O ATOM 0 H GLY A 53 9.464 -15.258 2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.776 -15.959 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.971 -14.703 5.403 1.00 0.00 H new ATOM 748 N THR A 54 9.172 -13.495 6.654 1.00 0.00 N ATOM 749 CA THR A 54 8.223 -12.597 7.291 1.00 0.00 C ATOM 750 C THR A 54 8.580 -11.141 6.988 1.00 0.00 C ATOM 751 O THR A 54 8.205 -10.238 7.734 1.00 0.00 O ATOM 752 CB THR A 54 8.198 -12.919 8.786 1.00 0.00 C ATOM 753 OG1 THR A 54 9.570 -13.101 9.125 1.00 0.00 O ATOM 754 CG2 THR A 54 7.557 -14.276 9.084 1.00 0.00 C ATOM 0 H THR A 54 10.008 -13.693 7.204 1.00 0.00 H new ATOM 0 HA THR A 54 7.217 -12.740 6.897 1.00 0.00 H new ATOM 0 HB THR A 54 7.653 -12.137 9.316 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.646 -13.312 10.079 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.565 -14.454 10.159 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.528 -14.279 8.724 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.120 -15.063 8.582 1.00 0.00 H new ATOM 762 N THR A 55 9.302 -10.958 5.892 1.00 0.00 N ATOM 763 CA THR A 55 9.714 -9.627 5.481 1.00 0.00 C ATOM 764 C THR A 55 9.924 -9.577 3.966 1.00 0.00 C ATOM 765 O THR A 55 11.053 -9.446 3.497 1.00 0.00 O ATOM 766 CB THR A 55 10.963 -9.251 6.280 1.00 0.00 C ATOM 767 OG1 THR A 55 11.657 -10.486 6.441 1.00 0.00 O ATOM 768 CG2 THR A 55 10.636 -8.819 7.711 1.00 0.00 C ATOM 0 H THR A 55 9.612 -11.710 5.276 1.00 0.00 H new ATOM 0 HA THR A 55 8.940 -8.890 5.694 1.00 0.00 H new ATOM 0 HB THR A 55 11.491 -8.445 5.769 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.482 -10.334 6.948 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.558 -8.563 8.233 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.979 -7.950 7.687 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.138 -9.636 8.233 1.00 0.00 H new ATOM 776 N PRO A 56 8.789 -9.687 3.225 1.00 0.00 N ATOM 777 CA PRO A 56 8.838 -9.656 1.773 1.00 0.00 C ATOM 778 C PRO A 56 9.075 -8.233 1.263 1.00 0.00 C ATOM 779 O PRO A 56 8.341 -7.312 1.618 1.00 0.00 O ATOM 780 CB PRO A 56 7.507 -10.235 1.322 1.00 0.00 C ATOM 781 CG PRO A 56 6.581 -10.137 2.524 1.00 0.00 C ATOM 782 CD PRO A 56 7.435 -9.843 3.747 1.00 0.00 C ATOM 0 HA PRO A 56 9.667 -10.236 1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.107 -9.679 0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.620 -11.270 1.000 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.844 -9.348 2.375 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.030 -11.068 2.658 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.100 -8.939 4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.381 -10.655 4.472 1.00 0.00 H new ATOM 790 N GLU A 57 10.102 -8.098 0.437 1.00 0.00 N ATOM 791 CA GLU A 57 10.445 -6.803 -0.126 1.00 0.00 C ATOM 792 C GLU A 57 10.159 -6.785 -1.629 1.00 0.00 C ATOM 793 O GLU A 57 10.300 -7.804 -2.303 1.00 0.00 O ATOM 794 CB GLU A 57 11.906 -6.451 0.159 1.00 0.00 C ATOM 795 CG GLU A 57 12.180 -4.973 -0.128 1.00 0.00 C ATOM 796 CD GLU A 57 13.484 -4.519 0.531 1.00 0.00 C ATOM 797 OE1 GLU A 57 14.550 -4.930 0.023 1.00 0.00 O ATOM 798 OE2 GLU A 57 13.386 -3.771 1.528 1.00 0.00 O ATOM 0 H GLU A 57 10.708 -8.864 0.144 1.00 0.00 H new ATOM 0 HA GLU A 57 9.824 -6.045 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.141 -6.673 1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.560 -7.071 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.237 -4.812 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.352 -4.368 0.241 1.00 0.00 H new ATOM 805 N TRP A 58 9.762 -5.616 -2.109 1.00 0.00 N ATOM 806 CA TRP A 58 9.455 -5.452 -3.520 1.00 0.00 C ATOM 807 C TRP A 58 10.240 -4.244 -4.037 1.00 0.00 C ATOM 808 O TRP A 58 10.911 -4.329 -5.065 1.00 0.00 O ATOM 809 CB TRP A 58 7.947 -5.324 -3.742 1.00 0.00 C ATOM 810 CG TRP A 58 7.150 -6.563 -3.326 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.824 -7.624 -4.076 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.589 -6.826 -2.023 1.00 0.00 C ATOM 813 NE1 TRP A 58 6.096 -8.549 -3.355 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.949 -8.048 -2.066 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.621 -6.058 -0.846 1.00 0.00 C ATOM 816 CZ2 TRP A 58 5.293 -8.610 -0.964 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.961 -6.633 0.247 1.00 0.00 C ATOM 818 CH2 TRP A 58 5.312 -7.862 0.219 1.00 0.00 C ATOM 0 H TRP A 58 9.646 -4.773 -1.546 1.00 0.00 H new ATOM 0 HA TRP A 58 9.758 -6.333 -4.086 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.579 -4.463 -3.183 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.761 -5.122 -4.797 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.097 -7.741 -5.114 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.733 -9.436 -3.703 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.116 -5.100 -0.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.799 -9.569 -1.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.956 -6.083 1.177 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.824 -8.238 1.106 1.00 0.00 H new ATOM 829 N ASN A 59 10.129 -3.148 -3.302 1.00 0.00 N ATOM 830 CA ASN A 59 10.819 -1.924 -3.673 1.00 0.00 C ATOM 831 C ASN A 59 10.317 -1.455 -5.040 1.00 0.00 C ATOM 832 O ASN A 59 11.105 -1.024 -5.881 1.00 0.00 O ATOM 833 CB ASN A 59 12.328 -2.153 -3.777 1.00 0.00 C ATOM 834 CG ASN A 59 13.010 -1.939 -2.424 1.00 0.00 C ATOM 835 OD1 ASN A 59 13.692 -2.995 -1.989 1.00 0.00 O flip ATOM 836 ND2 ASN A 59 12.922 -0.885 -1.816 1.00 0.00 N flip ATOM 0 H ASN A 59 9.571 -3.082 -2.451 1.00 0.00 H new ATOM 0 HA ASN A 59 10.619 -1.178 -2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.522 -3.166 -4.130 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.753 -1.472 -4.514 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.382 -0.114 -2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.389 -0.775 -0.916 1.00 0.00 H new ATOM 843 N GLU A 60 9.008 -1.556 -5.221 1.00 0.00 N ATOM 844 CA GLU A 60 8.392 -1.148 -6.472 1.00 0.00 C ATOM 845 C GLU A 60 7.886 0.293 -6.369 1.00 0.00 C ATOM 846 O GLU A 60 8.004 0.922 -5.319 1.00 0.00 O ATOM 847 CB GLU A 60 7.259 -2.100 -6.861 1.00 0.00 C ATOM 848 CG GLU A 60 7.728 -3.109 -7.911 1.00 0.00 C ATOM 849 CD GLU A 60 8.324 -2.398 -9.128 1.00 0.00 C ATOM 850 OE1 GLU A 60 7.529 -1.779 -9.868 1.00 0.00 O ATOM 851 OE2 GLU A 60 9.560 -2.490 -9.290 1.00 0.00 O ATOM 0 H GLU A 60 8.357 -1.914 -4.522 1.00 0.00 H new ATOM 0 HA GLU A 60 9.146 -1.193 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.903 -2.629 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.417 -1.529 -7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.472 -3.775 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.889 -3.731 -8.223 1.00 0.00 H new ATOM 858 N THR A 61 7.334 0.773 -7.473 1.00 0.00 N ATOM 859 CA THR A 61 6.810 2.127 -7.520 1.00 0.00 C ATOM 860 C THR A 61 5.534 2.176 -8.364 1.00 0.00 C ATOM 861 O THR A 61 5.538 1.775 -9.527 1.00 0.00 O ATOM 862 CB THR A 61 7.918 3.045 -8.041 1.00 0.00 C ATOM 863 OG1 THR A 61 8.781 3.216 -6.920 1.00 0.00 O ATOM 864 CG2 THR A 61 7.414 4.458 -8.342 1.00 0.00 C ATOM 0 H THR A 61 7.238 0.248 -8.342 1.00 0.00 H new ATOM 0 HA THR A 61 6.520 2.473 -6.528 1.00 0.00 H new ATOM 0 HB THR A 61 8.352 2.615 -8.943 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.530 3.797 -7.169 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.239 5.068 -8.708 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.632 4.412 -9.100 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.011 4.902 -7.432 1.00 0.00 H new ATOM 872 N PHE A 62 4.472 2.672 -7.745 1.00 0.00 N ATOM 873 CA PHE A 62 3.192 2.779 -8.424 1.00 0.00 C ATOM 874 C PHE A 62 2.673 4.217 -8.392 1.00 0.00 C ATOM 875 O PHE A 62 2.684 4.861 -7.344 1.00 0.00 O ATOM 876 CB PHE A 62 2.211 1.877 -7.673 1.00 0.00 C ATOM 877 CG PHE A 62 2.655 0.416 -7.577 1.00 0.00 C ATOM 878 CD1 PHE A 62 2.360 -0.452 -8.582 1.00 0.00 C ATOM 879 CD2 PHE A 62 3.345 -0.014 -6.487 1.00 0.00 C ATOM 880 CE1 PHE A 62 2.773 -1.807 -8.493 1.00 0.00 C ATOM 881 CE2 PHE A 62 3.758 -1.370 -6.398 1.00 0.00 C ATOM 882 CZ PHE A 62 3.463 -2.238 -7.403 1.00 0.00 C ATOM 0 H PHE A 62 4.472 3.004 -6.781 1.00 0.00 H new ATOM 0 HA PHE A 62 3.298 2.484 -9.468 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.071 2.270 -6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.242 1.919 -8.170 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.812 -0.110 -9.447 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.579 0.675 -5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.539 -2.496 -9.291 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.306 -1.712 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.777 -3.269 -7.335 1.00 0.00 H new ATOM 892 N ILE A 63 2.230 4.679 -9.552 1.00 0.00 N ATOM 893 CA ILE A 63 1.707 6.030 -9.669 1.00 0.00 C ATOM 894 C ILE A 63 0.181 5.975 -9.760 1.00 0.00 C ATOM 895 O ILE A 63 -0.377 5.044 -10.338 1.00 0.00 O ATOM 896 CB ILE A 63 2.367 6.759 -10.841 1.00 0.00 C ATOM 897 CG1 ILE A 63 3.847 6.389 -10.955 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.162 8.271 -10.731 1.00 0.00 C ATOM 899 CD1 ILE A 63 4.667 7.059 -9.850 1.00 0.00 C ATOM 0 H ILE A 63 2.222 4.142 -10.419 1.00 0.00 H new ATOM 0 HA ILE A 63 1.953 6.613 -8.781 1.00 0.00 H new ATOM 0 HB ILE A 63 1.882 6.433 -11.761 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.961 5.307 -10.892 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.227 6.693 -11.930 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.641 8.766 -11.576 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.095 8.495 -10.736 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.604 8.631 -9.802 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.715 6.779 -9.954 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.571 8.142 -9.931 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.300 6.734 -8.877 1.00 0.00 H new ATOM 911 N PHE A 64 -0.451 6.985 -9.180 1.00 0.00 N ATOM 912 CA PHE A 64 -1.901 7.064 -9.187 1.00 0.00 C ATOM 913 C PHE A 64 -2.371 8.513 -9.334 1.00 0.00 C ATOM 914 O PHE A 64 -2.017 9.369 -8.526 1.00 0.00 O ATOM 915 CB PHE A 64 -2.386 6.517 -7.843 1.00 0.00 C ATOM 916 CG PHE A 64 -2.269 4.997 -7.711 1.00 0.00 C ATOM 917 CD1 PHE A 64 -3.128 4.188 -8.387 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.307 4.456 -6.917 1.00 0.00 C ATOM 919 CE1 PHE A 64 -3.019 2.777 -8.264 1.00 0.00 C ATOM 920 CE2 PHE A 64 -1.198 3.046 -6.794 1.00 0.00 C ATOM 921 CZ PHE A 64 -2.057 2.236 -7.470 1.00 0.00 C ATOM 0 H PHE A 64 0.016 7.756 -8.702 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.300 6.494 -10.026 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.813 6.986 -7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.428 6.805 -7.700 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.893 4.618 -9.017 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.626 5.099 -6.380 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.700 2.134 -8.801 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.433 2.616 -6.164 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.975 1.163 -7.376 1.00 0.00 H new ATOM 931 N THR A 65 -3.162 8.742 -10.372 1.00 0.00 N ATOM 932 CA THR A 65 -3.684 10.072 -10.636 1.00 0.00 C ATOM 933 C THR A 65 -4.559 10.542 -9.473 1.00 0.00 C ATOM 934 O THR A 65 -5.494 9.848 -9.075 1.00 0.00 O ATOM 935 CB THR A 65 -4.422 10.034 -11.975 1.00 0.00 C ATOM 936 OG1 THR A 65 -3.379 10.015 -12.946 1.00 0.00 O ATOM 937 CG2 THR A 65 -5.178 11.332 -12.265 1.00 0.00 C ATOM 0 H THR A 65 -3.454 8.029 -11.040 1.00 0.00 H new ATOM 0 HA THR A 65 -2.880 10.804 -10.713 1.00 0.00 H new ATOM 0 HB THR A 65 -5.122 9.198 -11.979 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.769 9.988 -13.845 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.684 11.251 -13.227 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.915 11.507 -11.481 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.475 12.164 -12.294 1.00 0.00 H new ATOM 945 N VAL A 66 -4.226 11.717 -8.960 1.00 0.00 N ATOM 946 CA VAL A 66 -4.971 12.287 -7.850 1.00 0.00 C ATOM 947 C VAL A 66 -5.763 13.500 -8.342 1.00 0.00 C ATOM 948 O VAL A 66 -5.317 14.215 -9.239 1.00 0.00 O ATOM 949 CB VAL A 66 -4.020 12.622 -6.699 1.00 0.00 C ATOM 950 CG1 VAL A 66 -4.798 12.996 -5.436 1.00 0.00 C ATOM 951 CG2 VAL A 66 -3.059 11.462 -6.427 1.00 0.00 C ATOM 0 H VAL A 66 -3.450 12.290 -9.292 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.689 11.565 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.427 13.487 -6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.098 13.229 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.422 13.866 -5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.428 12.159 -5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.394 11.726 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.629 10.572 -6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.469 11.261 -7.321 1.00 0.00 H new ATOM 961 N SER A 67 -6.924 13.695 -7.735 1.00 0.00 N ATOM 962 CA SER A 67 -7.782 14.809 -8.100 1.00 0.00 C ATOM 963 C SER A 67 -8.798 15.074 -6.987 1.00 0.00 C ATOM 964 O SER A 67 -8.744 16.109 -6.326 1.00 0.00 O ATOM 965 CB SER A 67 -8.502 14.539 -9.423 1.00 0.00 C ATOM 966 OG SER A 67 -7.772 15.038 -10.540 1.00 0.00 O ATOM 0 H SER A 67 -7.291 13.100 -6.992 1.00 0.00 H new ATOM 0 HA SER A 67 -7.158 15.693 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.655 13.466 -9.540 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.489 15.001 -9.399 1.00 0.00 H new ATOM 0 HG SER A 67 -6.812 14.926 -10.380 1.00 0.00 H new ATOM 972 N GLU A 68 -9.701 14.120 -6.815 1.00 0.00 N ATOM 973 CA GLU A 68 -10.728 14.237 -5.794 1.00 0.00 C ATOM 974 C GLU A 68 -11.083 12.857 -5.237 1.00 0.00 C ATOM 975 O GLU A 68 -11.093 11.871 -5.972 1.00 0.00 O ATOM 976 CB GLU A 68 -11.970 14.943 -6.343 1.00 0.00 C ATOM 977 CG GLU A 68 -12.880 13.957 -7.079 1.00 0.00 C ATOM 978 CD GLU A 68 -14.125 14.661 -7.621 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.813 15.309 -6.803 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.361 14.535 -8.842 1.00 0.00 O ATOM 0 H GLU A 68 -9.743 13.262 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.335 14.846 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.519 15.409 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.669 15.742 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.333 13.495 -7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.176 13.155 -6.402 1.00 0.00 H new ATOM 987 N GLY A 69 -11.365 12.831 -3.943 1.00 0.00 N ATOM 988 CA GLY A 69 -11.720 11.588 -3.279 1.00 0.00 C ATOM 989 C GLY A 69 -10.468 10.822 -2.846 1.00 0.00 C ATOM 990 O GLY A 69 -10.344 10.435 -1.685 1.00 0.00 O ATOM 0 H GLY A 69 -11.355 13.651 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.340 11.801 -2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.315 10.970 -3.951 1.00 0.00 H new ATOM 994 N THR A 70 -9.573 10.626 -3.802 1.00 0.00 N ATOM 995 CA THR A 70 -8.336 9.912 -3.534 1.00 0.00 C ATOM 996 C THR A 70 -7.553 10.603 -2.416 1.00 0.00 C ATOM 997 O THR A 70 -6.882 11.607 -2.651 1.00 0.00 O ATOM 998 CB THR A 70 -7.556 9.809 -4.847 1.00 0.00 C ATOM 999 OG1 THR A 70 -8.548 9.480 -5.815 1.00 0.00 O ATOM 1000 CG2 THR A 70 -6.603 8.612 -4.869 1.00 0.00 C ATOM 0 H THR A 70 -9.679 10.949 -4.764 1.00 0.00 H new ATOM 0 HA THR A 70 -8.532 8.902 -3.175 1.00 0.00 H new ATOM 0 HB THR A 70 -6.990 10.727 -5.006 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.129 9.396 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.075 8.585 -5.822 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.882 8.706 -4.057 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.173 7.691 -4.744 1.00 0.00 H new ATOM 1008 N THR A 71 -7.666 10.038 -1.223 1.00 0.00 N ATOM 1009 CA THR A 71 -6.977 10.587 -0.067 1.00 0.00 C ATOM 1010 C THR A 71 -6.343 9.465 0.759 1.00 0.00 C ATOM 1011 O THR A 71 -5.957 9.677 1.907 1.00 0.00 O ATOM 1012 CB THR A 71 -7.979 11.431 0.723 1.00 0.00 C ATOM 1013 OG1 THR A 71 -9.137 10.605 0.810 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.454 12.659 -0.056 1.00 0.00 C ATOM 0 H THR A 71 -8.224 9.206 -1.032 1.00 0.00 H new ATOM 0 HA THR A 71 -6.152 11.232 -0.368 1.00 0.00 H new ATOM 0 HB THR A 71 -7.524 11.750 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.642 10.661 -0.028 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.163 13.223 0.550 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.599 13.291 -0.296 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.939 12.340 -0.978 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.255 8.297 0.141 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.674 7.141 0.804 1.00 0.00 C ATOM 1024 C GLU A 72 -5.546 5.975 -0.178 1.00 0.00 C ATOM 1025 O GLU A 72 -6.378 5.814 -1.069 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.500 6.740 2.028 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.672 5.841 1.629 1.00 0.00 C ATOM 1028 CD GLU A 72 -8.943 6.229 2.387 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.570 7.226 1.971 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.258 5.518 3.366 1.00 0.00 O ATOM 0 H GLU A 72 -6.576 8.126 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.676 7.408 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.865 6.219 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.876 7.634 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.846 5.919 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.424 4.800 1.837 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.497 5.190 0.019 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.249 4.043 -0.837 1.00 0.00 C ATOM 1039 C LEU A 73 -4.565 2.759 -0.067 1.00 0.00 C ATOM 1040 O LEU A 73 -4.314 2.674 1.134 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.826 4.090 -1.397 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.359 2.841 -2.148 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.841 2.863 -3.600 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -0.841 2.678 -2.051 1.00 0.00 C ATOM 0 H LEU A 73 -3.809 5.326 0.759 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.909 4.065 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.750 4.944 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.138 4.272 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.807 1.969 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.496 1.965 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.930 2.897 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.441 3.743 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.536 1.783 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.353 3.550 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.551 2.585 -1.004 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.111 1.792 -0.790 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.464 0.517 -0.190 1.00 0.00 C ATOM 1058 C LYS A 74 -4.441 -0.540 -0.610 1.00 0.00 C ATOM 1059 O LYS A 74 -4.275 -0.811 -1.798 1.00 0.00 O ATOM 1060 CB LYS A 74 -6.908 0.145 -0.533 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.867 0.595 0.571 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.764 2.104 0.805 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.141 2.766 0.724 1.00 0.00 C ATOM 1064 NZ LYS A 74 -10.042 2.219 1.763 1.00 0.00 N ATOM 0 H LYS A 74 -5.317 1.866 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.426 0.584 0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.192 0.609 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.987 -0.933 -0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.890 0.335 0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.639 0.064 1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.322 2.295 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.100 2.546 0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.041 3.844 0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.573 2.601 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.799 2.904 1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.461 1.329 1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.500 2.039 2.632 1.00 0.00 H new ATOM 1078 N ALA A 75 -3.780 -1.107 0.388 1.00 0.00 N ATOM 1079 CA ALA A 75 -2.777 -2.129 0.138 1.00 0.00 C ATOM 1080 C ALA A 75 -3.241 -3.453 0.746 1.00 0.00 C ATOM 1081 O ALA A 75 -3.182 -3.637 1.961 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.430 -1.669 0.698 1.00 0.00 C ATOM 0 H ALA A 75 -3.919 -0.878 1.372 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.648 -2.287 -0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.677 -2.435 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.132 -0.741 0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.520 -1.503 1.772 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.693 -4.342 -0.126 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.167 -5.645 0.310 1.00 0.00 C ATOM 1090 C LYS A 76 -3.099 -6.698 0.010 1.00 0.00 C ATOM 1091 O LYS A 76 -2.491 -6.684 -1.059 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.530 -5.955 -0.312 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.647 -5.197 0.407 1.00 0.00 C ATOM 1094 CD LYS A 76 -7.970 -5.961 0.324 1.00 0.00 C ATOM 1095 CE LYS A 76 -8.716 -5.913 1.659 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.410 -4.616 1.819 1.00 0.00 N ATOM 0 H LYS A 76 -3.741 -4.186 -1.133 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.326 -5.651 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.522 -5.683 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.722 -7.027 -0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.375 -5.046 1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.765 -4.209 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.593 -5.532 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.779 -6.998 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.439 -6.727 1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.014 -6.060 2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.911 -4.600 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.713 -3.844 1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.094 -4.491 1.046 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.903 -7.588 0.972 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.919 -8.646 0.824 1.00 0.00 C ATOM 1112 C ILE A 77 -2.639 -9.978 0.603 1.00 0.00 C ATOM 1113 O ILE A 77 -3.664 -10.246 1.229 1.00 0.00 O ATOM 1114 CB ILE A 77 -0.960 -8.657 2.015 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.298 -7.289 2.198 1.00 0.00 C ATOM 1116 CG2 ILE A 77 0.071 -9.779 1.879 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -1.095 -6.420 3.172 1.00 0.00 C ATOM 0 H ILE A 77 -3.410 -7.598 1.857 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.298 -8.468 -0.054 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.538 -8.859 2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.718 -7.420 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.223 -6.786 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.740 -9.764 2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.441 -10.740 1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.649 -9.633 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.603 -5.454 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.103 -6.271 2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.148 -6.915 4.142 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.075 -10.778 -0.290 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.650 -12.076 -0.601 1.00 0.00 C ATOM 1131 C PHE A 78 -1.556 -13.127 -0.801 1.00 0.00 C ATOM 1132 O PHE A 78 -0.397 -12.895 -0.459 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.432 -11.917 -1.906 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.526 -10.849 -1.850 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -4.211 -9.541 -2.044 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -5.815 -11.208 -1.604 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -5.227 -8.550 -1.992 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -6.831 -10.218 -1.552 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.515 -8.909 -1.747 1.00 0.00 C ATOM 0 H PHE A 78 -1.226 -10.552 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.288 -12.406 0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.736 -11.668 -2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.886 -12.874 -2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.188 -9.255 -2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.065 -12.247 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.976 -7.511 -2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.854 -10.504 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.287 -8.155 -1.707 1.00 0.00 H new ATOM 1149 N ASP A 79 -1.962 -14.260 -1.354 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.031 -15.347 -1.604 1.00 0.00 C ATOM 1151 C ASP A 79 -0.984 -15.638 -3.105 1.00 0.00 C ATOM 1152 O ASP A 79 -2.018 -15.651 -3.771 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.472 -16.625 -0.888 1.00 0.00 C ATOM 1154 CG ASP A 79 -0.825 -17.912 -1.405 1.00 0.00 C ATOM 1155 OD1 ASP A 79 0.296 -18.210 -0.939 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -1.466 -18.568 -2.254 1.00 0.00 O ATOM 0 H ASP A 79 -2.924 -14.449 -1.636 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.052 -15.045 -1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.248 -16.525 0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.554 -16.719 -0.978 1.00 0.00 H new ATOM 1161 N LYS A 80 0.226 -15.864 -3.594 1.00 0.00 N ATOM 1162 CA LYS A 80 0.422 -16.154 -5.005 1.00 0.00 C ATOM 1163 C LYS A 80 -0.686 -17.094 -5.486 1.00 0.00 C ATOM 1164 O LYS A 80 -1.237 -16.906 -6.569 1.00 0.00 O ATOM 1165 CB LYS A 80 1.833 -16.691 -5.251 1.00 0.00 C ATOM 1166 CG LYS A 80 1.912 -18.188 -4.944 1.00 0.00 C ATOM 1167 CD LYS A 80 3.346 -18.702 -5.091 1.00 0.00 C ATOM 1168 CE LYS A 80 3.430 -19.792 -6.161 1.00 0.00 C ATOM 1169 NZ LYS A 80 4.840 -20.176 -6.399 1.00 0.00 N ATOM 0 H LYS A 80 1.081 -15.852 -3.038 1.00 0.00 H new ATOM 0 HA LYS A 80 0.346 -15.241 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.118 -16.513 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.545 -16.150 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.557 -18.374 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.254 -18.737 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.007 -17.876 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.694 -19.097 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.857 -20.664 -5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.982 -19.435 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.880 -20.917 -7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.377 -19.345 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.255 -20.536 -5.516 1.00 0.00 H new ATOM 1183 N ASP A 81 -0.978 -18.086 -4.657 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.010 -19.055 -4.984 1.00 0.00 C ATOM 1185 C ASP A 81 -3.362 -18.543 -4.485 1.00 0.00 C ATOM 1186 O ASP A 81 -4.115 -19.282 -3.852 1.00 0.00 O ATOM 1187 CB ASP A 81 -1.735 -20.400 -4.310 1.00 0.00 C ATOM 1188 CG ASP A 81 -2.323 -21.616 -5.029 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -2.614 -21.475 -6.236 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -2.466 -22.659 -4.356 1.00 0.00 O ATOM 0 H ASP A 81 -0.518 -18.239 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.017 -19.188 -6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.656 -20.533 -4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.133 -20.369 -3.296 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.630 -17.281 -4.788 1.00 0.00 N ATOM 1196 CA VAL A 82 -4.878 -16.661 -4.377 1.00 0.00 C ATOM 1197 C VAL A 82 -5.180 -15.475 -5.295 1.00 0.00 C ATOM 1198 O VAL A 82 -4.264 -14.839 -5.815 1.00 0.00 O ATOM 1199 CB VAL A 82 -4.807 -16.270 -2.899 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -6.075 -15.531 -2.466 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -4.560 -17.497 -2.019 1.00 0.00 C ATOM 0 H VAL A 82 -3.004 -16.671 -5.313 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.704 -17.366 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.964 -15.591 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.999 -15.265 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.190 -14.625 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.941 -16.176 -2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.514 -17.192 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.373 -18.211 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.617 -17.964 -2.303 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.467 -15.213 -5.467 1.00 0.00 N ATOM 1212 CA GLY A 83 -6.901 -14.115 -6.313 1.00 0.00 C ATOM 1213 C GLY A 83 -7.305 -12.902 -5.473 1.00 0.00 C ATOM 1214 O GLY A 83 -7.961 -13.046 -4.443 1.00 0.00 O ATOM 0 H GLY A 83 -7.224 -15.743 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.098 -13.838 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.744 -14.435 -6.926 1.00 0.00 H new ATOM 1218 N THR A 84 -6.897 -11.733 -5.945 1.00 0.00 N ATOM 1219 CA THR A 84 -7.208 -10.495 -5.250 1.00 0.00 C ATOM 1220 C THR A 84 -8.608 -10.566 -4.636 1.00 0.00 C ATOM 1221 O THR A 84 -8.857 -9.984 -3.582 1.00 0.00 O ATOM 1222 CB THR A 84 -7.037 -9.341 -6.240 1.00 0.00 C ATOM 1223 OG1 THR A 84 -7.689 -9.798 -7.422 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.580 -9.149 -6.668 1.00 0.00 C ATOM 0 H THR A 84 -6.354 -11.617 -6.800 1.00 0.00 H new ATOM 0 HA THR A 84 -6.528 -10.329 -4.414 1.00 0.00 H new ATOM 0 HB THR A 84 -7.408 -8.420 -5.792 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.628 -9.109 -8.117 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.514 -8.318 -7.370 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.969 -8.933 -5.792 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.219 -10.059 -7.147 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.485 -11.284 -5.322 1.00 0.00 N ATOM 1233 CA GLU A 85 -10.853 -11.439 -4.858 1.00 0.00 C ATOM 1234 C GLU A 85 -11.074 -12.854 -4.320 1.00 0.00 C ATOM 1235 O GLU A 85 -11.918 -13.590 -4.829 1.00 0.00 O ATOM 1236 CB GLU A 85 -11.850 -11.113 -5.971 1.00 0.00 C ATOM 1237 CG GLU A 85 -11.307 -11.541 -7.336 1.00 0.00 C ATOM 1238 CD GLU A 85 -12.419 -11.559 -8.387 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -13.597 -11.580 -7.967 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -12.067 -11.551 -9.586 1.00 0.00 O ATOM 0 H GLU A 85 -9.274 -11.765 -6.196 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.023 -10.732 -4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.796 -11.619 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.057 -10.043 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.518 -10.857 -7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.859 -12.531 -7.259 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.302 -13.192 -3.298 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.403 -14.506 -2.686 1.00 0.00 C ATOM 1249 C ASP A 86 -10.210 -14.376 -1.174 1.00 0.00 C ATOM 1250 O ASP A 86 -11.149 -14.574 -0.405 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.322 -15.448 -3.221 1.00 0.00 C ATOM 1252 CG ASP A 86 -9.380 -16.875 -2.674 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -10.325 -17.150 -1.904 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -8.478 -17.660 -3.039 1.00 0.00 O ATOM 0 H ASP A 86 -9.604 -12.579 -2.878 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.386 -14.913 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.401 -15.488 -4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.345 -15.025 -2.988 1.00 0.00 H new ATOM 1259 N ASP A 87 -8.985 -14.043 -0.793 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.657 -13.885 0.614 1.00 0.00 C ATOM 1261 C ASP A 87 -7.310 -13.169 0.741 1.00 0.00 C ATOM 1262 O ASP A 87 -6.275 -13.714 0.361 1.00 0.00 O ATOM 1263 CB ASP A 87 -8.538 -15.242 1.309 1.00 0.00 C ATOM 1264 CG ASP A 87 -8.966 -15.257 2.778 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -9.574 -14.250 3.201 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -8.675 -16.274 3.444 1.00 0.00 O ATOM 0 H ASP A 87 -8.208 -13.878 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.455 -13.309 1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.142 -15.967 0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.503 -15.577 1.245 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.368 -11.959 1.277 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.165 -11.163 1.459 1.00 0.00 C ATOM 1273 C ALA A 88 -5.582 -11.439 2.847 1.00 0.00 C ATOM 1274 O ALA A 88 -6.177 -11.070 3.858 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.495 -9.684 1.248 1.00 0.00 C ATOM 0 H ALA A 88 -8.228 -11.510 1.591 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.408 -11.436 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.593 -9.087 1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.878 -9.537 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.249 -9.373 1.971 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.425 -12.084 2.850 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.755 -12.413 4.096 1.00 0.00 C ATOM 1283 C VAL A 89 -3.900 -11.243 5.072 1.00 0.00 C ATOM 1284 O VAL A 89 -3.927 -11.443 6.286 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.296 -12.786 3.823 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.175 -14.253 3.404 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.681 -11.862 2.770 1.00 0.00 C ATOM 0 H VAL A 89 -3.934 -12.388 2.009 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.218 -13.284 4.560 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.737 -12.655 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.128 -14.493 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.556 -14.892 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.754 -14.421 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.644 -12.149 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.243 -11.946 1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.717 -10.832 3.124 1.00 0.00 H new ATOM 1297 N GLY A 90 -3.989 -10.049 4.506 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.130 -8.848 5.310 1.00 0.00 C ATOM 1299 C GLY A 90 -4.239 -7.604 4.425 1.00 0.00 C ATOM 1300 O GLY A 90 -4.293 -7.712 3.201 1.00 0.00 O ATOM 0 H GLY A 90 -3.966 -9.888 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.016 -8.930 5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.273 -8.750 5.977 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.269 -6.452 5.079 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.370 -5.190 4.367 1.00 0.00 C ATOM 1306 C GLU A 91 -3.897 -4.039 5.257 1.00 0.00 C ATOM 1307 O GLU A 91 -3.743 -4.207 6.466 1.00 0.00 O ATOM 1308 CB GLU A 91 -5.799 -4.951 3.875 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.765 -4.795 5.051 1.00 0.00 C ATOM 1310 CD GLU A 91 -7.120 -6.157 5.654 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -6.732 -7.170 5.034 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -7.771 -6.153 6.721 1.00 0.00 O ATOM 0 H GLU A 91 -4.225 -6.366 6.094 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.722 -5.236 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.829 -4.056 3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.116 -5.784 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.314 -4.161 5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.673 -4.294 4.716 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.681 -2.895 4.625 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.229 -1.716 5.345 1.00 0.00 C ATOM 1321 C ALA A 92 -3.769 -0.463 4.653 1.00 0.00 C ATOM 1322 O ALA A 92 -3.942 -0.448 3.435 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.701 -1.724 5.429 1.00 0.00 C ATOM 0 H ALA A 92 -3.810 -2.759 3.622 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.611 -1.719 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.362 -0.840 5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.370 -2.620 5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.281 -1.718 4.423 1.00 0.00 H new ATOM 1329 N THR A 93 -4.019 0.558 5.459 1.00 0.00 N ATOM 1330 CA THR A 93 -4.536 1.813 4.939 1.00 0.00 C ATOM 1331 C THR A 93 -3.426 2.865 4.884 1.00 0.00 C ATOM 1332 O THR A 93 -2.909 3.281 5.920 1.00 0.00 O ATOM 1333 CB THR A 93 -5.726 2.230 5.806 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.727 1.261 5.509 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.343 3.554 5.354 1.00 0.00 C ATOM 0 H THR A 93 -3.873 0.542 6.468 1.00 0.00 H new ATOM 0 HA THR A 93 -4.886 1.702 3.913 1.00 0.00 H new ATOM 0 HB THR A 93 -5.407 2.314 6.845 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.534 1.454 6.030 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.183 3.804 6.002 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.593 4.343 5.411 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.693 3.460 4.326 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.092 3.263 3.666 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.053 4.259 3.462 1.00 0.00 C ATOM 1345 C ILE A 94 -2.693 5.571 3.003 1.00 0.00 C ATOM 1346 O ILE A 94 -3.032 5.722 1.830 1.00 0.00 O ATOM 1347 CB ILE A 94 -0.983 3.728 2.506 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.360 2.438 3.043 1.00 0.00 C ATOM 1349 CG2 ILE A 94 0.072 4.797 2.217 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.462 1.310 2.014 1.00 0.00 C ATOM 0 H ILE A 94 -3.522 2.914 2.810 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.535 4.468 4.398 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.462 3.484 1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.686 2.612 3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.864 2.142 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.821 4.394 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.405 5.665 1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.553 5.095 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.012 0.405 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.511 1.122 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.064 1.599 1.104 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.841 6.509 3.975 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.433 7.803 3.682 1.00 0.00 C ATOM 1364 C PRO A 95 -2.451 8.697 2.922 1.00 0.00 C ATOM 1365 O PRO A 95 -1.271 8.758 3.263 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.827 8.371 5.036 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.026 7.590 6.065 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.450 6.364 5.374 1.00 0.00 C ATOM 0 HA PRO A 95 -4.301 7.729 3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.603 9.436 5.093 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.898 8.261 5.209 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.227 8.207 6.476 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.662 7.295 6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.366 6.323 5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.848 5.444 5.803 1.00 0.00 H new ATOM 1376 N LEU A 96 -2.975 9.367 1.906 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.159 10.254 1.095 1.00 0.00 C ATOM 1378 C LEU A 96 -2.367 11.697 1.557 1.00 0.00 C ATOM 1379 O LEU A 96 -1.951 12.636 0.880 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.447 10.037 -0.392 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.617 8.583 -0.837 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.410 8.498 -2.143 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.262 7.880 -0.942 1.00 0.00 C ATOM 0 H LEU A 96 -3.954 9.313 1.626 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.101 10.026 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.354 10.583 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.634 10.480 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.194 8.058 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.516 7.454 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.397 8.937 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.882 9.043 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.411 6.848 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.639 8.398 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.769 7.892 0.030 1.00 0.00 H new ATOM 1395 N GLU A 97 -3.012 11.829 2.707 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.281 13.142 3.268 1.00 0.00 C ATOM 1397 C GLU A 97 -1.990 13.764 3.805 1.00 0.00 C ATOM 1398 O GLU A 97 -1.792 14.974 3.706 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.347 13.063 4.362 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.444 14.105 4.134 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.248 14.344 5.415 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -7.146 13.517 5.684 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -5.945 15.348 6.095 1.00 0.00 O ATOM 0 H GLU A 97 -3.356 11.048 3.266 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.668 13.782 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.785 12.065 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.886 13.222 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.997 15.042 3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.110 13.769 3.339 1.00 0.00 H new ATOM 1410 N PRO A 98 -1.123 12.886 4.376 1.00 0.00 N ATOM 1411 CA PRO A 98 0.144 13.337 4.928 1.00 0.00 C ATOM 1412 C PRO A 98 1.145 13.656 3.816 1.00 0.00 C ATOM 1413 O PRO A 98 1.999 14.526 3.976 1.00 0.00 O ATOM 1414 CB PRO A 98 0.603 12.206 5.834 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.182 10.979 5.399 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.323 11.446 4.510 1.00 0.00 C ATOM 0 HA PRO A 98 0.051 14.267 5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.676 12.038 5.737 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.411 12.442 6.881 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.463 10.285 4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.569 10.446 6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.297 10.951 3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.291 11.221 4.957 1.00 0.00 H new ATOM 1424 N VAL A 99 1.005 12.934 2.713 1.00 0.00 N ATOM 1425 CA VAL A 99 1.887 13.129 1.575 1.00 0.00 C ATOM 1426 C VAL A 99 1.436 14.365 0.793 1.00 0.00 C ATOM 1427 O VAL A 99 2.253 15.040 0.168 1.00 0.00 O ATOM 1428 CB VAL A 99 1.925 11.861 0.720 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.737 11.813 -0.243 1.00 0.00 C ATOM 1430 CG2 VAL A 99 3.250 11.751 -0.038 1.00 0.00 C ATOM 0 H VAL A 99 0.294 12.214 2.584 1.00 0.00 H new ATOM 0 HA VAL A 99 2.909 13.310 1.909 1.00 0.00 H new ATOM 0 HB VAL A 99 1.849 11.004 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.788 10.902 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.193 11.823 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.768 12.680 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.251 10.841 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.369 12.616 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.075 11.717 0.674 1.00 0.00 H new ATOM 1440 N PHE A 100 0.138 14.623 0.852 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.430 15.765 0.157 1.00 0.00 C ATOM 1442 C PHE A 100 -0.143 17.064 0.912 1.00 0.00 C ATOM 1443 O PHE A 100 -0.201 18.148 0.333 1.00 0.00 O ATOM 1444 CB PHE A 100 -1.944 15.546 0.100 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.375 14.425 -0.848 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.520 13.979 -1.806 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.614 13.876 -0.732 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -1.921 12.939 -2.686 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.015 12.837 -1.612 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.159 12.390 -2.571 1.00 0.00 C ATOM 0 H PHE A 100 -0.537 14.061 1.371 1.00 0.00 H new ATOM 0 HA PHE A 100 0.007 15.850 -0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.306 15.319 1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.424 16.474 -0.210 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.536 14.415 -1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.293 14.231 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.242 12.584 -3.447 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.999 12.401 -1.521 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.463 11.599 -3.241 1.00 0.00 H new ATOM 1460 N VAL A 101 0.161 16.913 2.192 1.00 0.00 N ATOM 1461 CA VAL A 101 0.457 18.061 3.032 1.00 0.00 C ATOM 1462 C VAL A 101 1.972 18.264 3.094 1.00 0.00 C ATOM 1463 O VAL A 101 2.456 19.391 2.994 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.179 17.879 4.412 1.00 0.00 C ATOM 1465 CG1 VAL A 101 0.415 18.861 5.423 1.00 0.00 C ATOM 1466 CG2 VAL A 101 -1.700 18.021 4.337 1.00 0.00 C ATOM 0 H VAL A 101 0.209 16.012 2.669 1.00 0.00 H new ATOM 0 HA VAL A 101 0.024 18.967 2.607 1.00 0.00 H new ATOM 0 HB VAL A 101 0.046 16.869 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.054 18.711 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.488 18.691 5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.235 19.882 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.127 17.887 5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.955 19.013 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.103 17.264 3.664 1.00 0.00 H new ATOM 1476 N GLU A 102 2.680 17.156 3.260 1.00 0.00 N ATOM 1477 CA GLU A 102 4.130 17.198 3.337 1.00 0.00 C ATOM 1478 C GLU A 102 4.736 17.207 1.932 1.00 0.00 C ATOM 1479 O GLU A 102 5.771 17.832 1.703 1.00 0.00 O ATOM 1480 CB GLU A 102 4.669 16.026 4.159 1.00 0.00 C ATOM 1481 CG GLU A 102 4.001 15.967 5.534 1.00 0.00 C ATOM 1482 CD GLU A 102 5.046 15.961 6.652 1.00 0.00 C ATOM 1483 OE1 GLU A 102 6.032 16.716 6.511 1.00 0.00 O ATOM 1484 OE2 GLU A 102 4.836 15.201 7.622 1.00 0.00 O ATOM 0 H GLU A 102 2.276 16.223 3.343 1.00 0.00 H new ATOM 0 HA GLU A 102 4.421 18.118 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.494 15.092 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.748 16.127 4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.337 16.823 5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.383 15.072 5.604 1.00 0.00 H new ATOM 1491 N GLY A 103 4.065 16.508 1.028 1.00 0.00 N ATOM 1492 CA GLY A 103 4.525 16.428 -0.348 1.00 0.00 C ATOM 1493 C GLY A 103 5.420 15.204 -0.557 1.00 0.00 C ATOM 1494 O GLY A 103 5.712 14.831 -1.692 1.00 0.00 O ATOM 0 H GLY A 103 3.207 15.992 1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.668 16.375 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.075 17.333 -0.604 1.00 0.00 H new ATOM 1498 N SER A 104 5.830 14.614 0.556 1.00 0.00 N ATOM 1499 CA SER A 104 6.685 13.440 0.510 1.00 0.00 C ATOM 1500 C SER A 104 6.604 12.680 1.835 1.00 0.00 C ATOM 1501 O SER A 104 6.604 13.288 2.904 1.00 0.00 O ATOM 1502 CB SER A 104 8.134 13.827 0.207 1.00 0.00 C ATOM 1503 OG SER A 104 8.619 14.824 1.102 1.00 0.00 O ATOM 0 H SER A 104 5.586 14.927 1.496 1.00 0.00 H new ATOM 0 HA SER A 104 6.334 12.792 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.767 12.942 0.273 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.205 14.194 -0.817 1.00 0.00 H new ATOM 0 HG SER A 104 9.547 15.042 0.877 1.00 0.00 H new ATOM 1509 N ILE A 105 6.536 11.362 1.721 1.00 0.00 N ATOM 1510 CA ILE A 105 6.455 10.512 2.897 1.00 0.00 C ATOM 1511 C ILE A 105 7.378 9.306 2.715 1.00 0.00 C ATOM 1512 O ILE A 105 7.346 8.647 1.676 1.00 0.00 O ATOM 1513 CB ILE A 105 5.000 10.136 3.187 1.00 0.00 C ATOM 1514 CG1 ILE A 105 4.117 11.383 3.268 1.00 0.00 C ATOM 1515 CG2 ILE A 105 4.897 9.277 4.449 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.442 12.205 4.517 1.00 0.00 C ATOM 0 H ILE A 105 6.535 10.862 0.832 1.00 0.00 H new ATOM 0 HA ILE A 105 6.803 11.049 3.779 1.00 0.00 H new ATOM 0 HB ILE A 105 4.631 9.534 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.263 11.995 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.067 11.089 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.853 9.024 4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.474 8.362 4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.291 9.832 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.800 13.086 4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.272 11.598 5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.486 12.518 4.485 1.00 0.00 H new ATOM 1528 N PRO A 106 8.199 9.045 3.767 1.00 0.00 N ATOM 1529 CA PRO A 106 9.129 7.930 3.733 1.00 0.00 C ATOM 1530 C PRO A 106 8.397 6.600 3.930 1.00 0.00 C ATOM 1531 O PRO A 106 7.196 6.581 4.195 1.00 0.00 O ATOM 1532 CB PRO A 106 10.135 8.222 4.833 1.00 0.00 C ATOM 1533 CG PRO A 106 9.473 9.243 5.744 1.00 0.00 C ATOM 1534 CD PRO A 106 8.263 9.804 5.013 1.00 0.00 C ATOM 0 HA PRO A 106 9.630 7.830 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.388 7.315 5.382 1.00 0.00 H new ATOM 0 HB3 PRO A 106 11.064 8.613 4.419 1.00 0.00 H new ATOM 0 HG2 PRO A 106 9.171 8.778 6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 106 10.172 10.041 5.994 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.353 9.680 5.600 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.375 10.871 4.822 1.00 0.00 H new ATOM 1542 N PRO A 107 9.172 5.491 3.790 1.00 0.00 N ATOM 1543 CA PRO A 107 8.611 4.161 3.949 1.00 0.00 C ATOM 1544 C PRO A 107 8.364 3.844 5.426 1.00 0.00 C ATOM 1545 O PRO A 107 9.304 3.579 6.173 1.00 0.00 O ATOM 1546 CB PRO A 107 9.622 3.227 3.302 1.00 0.00 C ATOM 1547 CG PRO A 107 10.920 4.013 3.219 1.00 0.00 C ATOM 1548 CD PRO A 107 10.598 5.475 3.476 1.00 0.00 C ATOM 0 HA PRO A 107 7.634 4.057 3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.751 2.321 3.894 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.289 2.916 2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.636 3.645 3.954 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.378 3.890 2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.190 5.872 4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.818 6.088 2.602 1.00 0.00 H new ATOM 1556 N THR A 108 7.094 3.880 5.801 1.00 0.00 N ATOM 1557 CA THR A 108 6.711 3.600 7.175 1.00 0.00 C ATOM 1558 C THR A 108 5.962 2.269 7.258 1.00 0.00 C ATOM 1559 O THR A 108 5.332 1.845 6.290 1.00 0.00 O ATOM 1560 CB THR A 108 5.898 4.789 7.691 1.00 0.00 C ATOM 1561 OG1 THR A 108 6.883 5.714 8.143 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.100 4.449 8.951 1.00 0.00 C ATOM 0 H THR A 108 6.317 4.099 5.178 1.00 0.00 H new ATOM 0 HA THR A 108 7.586 3.485 7.815 1.00 0.00 H new ATOM 0 HB THR A 108 5.217 5.129 6.911 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.442 6.516 8.493 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.541 5.327 9.276 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.406 3.637 8.734 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.783 4.141 9.742 1.00 0.00 H new ATOM 1570 N ALA A 109 6.055 1.647 8.424 1.00 0.00 N ATOM 1571 CA ALA A 109 5.393 0.372 8.647 1.00 0.00 C ATOM 1572 C ALA A 109 3.933 0.621 9.029 1.00 0.00 C ATOM 1573 O ALA A 109 3.635 0.948 10.177 1.00 0.00 O ATOM 1574 CB ALA A 109 6.150 -0.416 9.718 1.00 0.00 C ATOM 0 H ALA A 109 6.578 2.002 9.224 1.00 0.00 H new ATOM 0 HA ALA A 109 5.398 -0.228 7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.654 -1.372 9.885 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.173 -0.592 9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.163 0.153 10.647 1.00 0.00 H new ATOM 1580 N TYR A 110 3.061 0.455 8.046 1.00 0.00 N ATOM 1581 CA TYR A 110 1.638 0.657 8.265 1.00 0.00 C ATOM 1582 C TYR A 110 0.996 -0.588 8.879 1.00 0.00 C ATOM 1583 O TYR A 110 1.223 -1.703 8.412 1.00 0.00 O ATOM 1584 CB TYR A 110 1.030 0.901 6.882 1.00 0.00 C ATOM 1585 CG TYR A 110 1.489 2.202 6.221 1.00 0.00 C ATOM 1586 CD1 TYR A 110 1.197 3.416 6.810 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.195 2.162 5.036 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.629 4.640 6.187 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.627 3.386 4.413 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.323 4.565 5.020 1.00 0.00 C ATOM 1591 OH TYR A 110 2.731 5.721 4.432 1.00 0.00 O ATOM 0 H TYR A 110 3.312 0.183 7.095 1.00 0.00 H new ATOM 0 HA TYR A 110 1.469 1.488 8.949 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.286 0.065 6.231 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.056 0.914 6.971 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.645 3.448 7.738 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.424 1.212 4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.407 5.597 6.637 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.180 3.369 3.485 1.00 0.00 H new ATOM 0 HH TYR A 110 3.216 5.514 3.606 1.00 0.00 H new ATOM 1601 N ASN A 111 0.206 -0.356 9.918 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.471 -1.445 10.601 1.00 0.00 C ATOM 1603 C ASN A 111 -1.239 -2.284 9.578 1.00 0.00 C ATOM 1604 O ASN A 111 -2.095 -1.766 8.863 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.475 -0.913 11.626 1.00 0.00 C ATOM 1606 CG ASN A 111 -0.866 0.223 12.450 1.00 0.00 C ATOM 1607 OD1 ASN A 111 0.190 0.751 12.144 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -1.590 0.569 13.511 1.00 0.00 N ATOM 0 H ASN A 111 0.020 0.570 10.303 1.00 0.00 H new ATOM 0 HA ASN A 111 0.283 -2.043 11.112 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.369 -0.557 11.114 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.787 -1.721 12.288 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.269 1.318 14.125 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.466 0.086 13.710 1.00 0.00 H new ATOM 1615 N VAL A 112 -0.905 -3.566 9.541 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.553 -4.482 8.617 1.00 0.00 C ATOM 1617 C VAL A 112 -2.521 -5.379 9.391 1.00 0.00 C ATOM 1618 O VAL A 112 -2.102 -6.161 10.243 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.499 -5.271 7.837 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.136 -6.442 7.086 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.271 -4.359 6.880 1.00 0.00 C ATOM 0 H VAL A 112 -0.194 -3.992 10.136 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.138 -3.932 7.880 1.00 0.00 H new ATOM 0 HB VAL A 112 0.212 -5.680 8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.366 -6.986 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.618 -7.112 7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.879 -6.063 6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.014 -4.944 6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.423 -3.907 6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.771 -3.575 7.448 1.00 0.00 H new ATOM 1631 N VAL A 113 -3.797 -5.237 9.066 1.00 0.00 N ATOM 1632 CA VAL A 113 -4.828 -6.025 9.719 1.00 0.00 C ATOM 1633 C VAL A 113 -5.543 -6.887 8.677 1.00 0.00 C ATOM 1634 O VAL A 113 -5.329 -6.721 7.477 1.00 0.00 O ATOM 1635 CB VAL A 113 -5.779 -5.107 10.489 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.381 -5.017 11.964 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -5.837 -3.717 9.851 1.00 0.00 C ATOM 0 H VAL A 113 -4.141 -4.588 8.359 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.385 -6.701 10.451 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.777 -5.541 10.437 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.073 -4.358 12.488 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.416 -6.010 12.412 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.370 -4.618 12.044 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.520 -3.085 10.418 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.842 -3.272 9.856 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.190 -3.803 8.823 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.376 -7.790 9.173 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.124 -8.678 8.299 1.00 0.00 C ATOM 1649 C LYS A 114 -8.548 -8.833 8.834 1.00 0.00 C ATOM 1650 O LYS A 114 -8.821 -9.728 9.633 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.384 -10.006 8.126 1.00 0.00 C ATOM 1652 CG LYS A 114 -7.265 -11.036 7.416 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.917 -10.434 6.170 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.712 -11.491 5.402 1.00 0.00 C ATOM 1655 NZ LYS A 114 -9.893 -10.881 4.751 1.00 0.00 N ATOM 0 H LYS A 114 -6.550 -7.926 10.169 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.204 -8.251 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.471 -9.846 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.084 -10.389 9.101 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.665 -11.901 7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.037 -11.392 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.577 -9.617 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.150 -10.010 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.076 -11.958 4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.032 -12.280 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.192 -11.473 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.670 -10.810 5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.648 -9.931 4.407 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.420 -7.948 8.373 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.809 -7.976 8.796 1.00 0.00 C ATOM 1671 C ASP A 115 -10.937 -7.292 10.159 1.00 0.00 C ATOM 1672 O ASP A 115 -12.027 -6.874 10.548 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.313 -9.413 8.939 1.00 0.00 C ATOM 1674 CG ASP A 115 -11.424 -10.193 7.627 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -12.498 -10.093 6.996 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -10.431 -10.871 7.285 1.00 0.00 O ATOM 0 H ASP A 115 -9.191 -7.207 7.710 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.401 -7.460 8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.643 -9.952 9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -12.293 -9.393 9.416 1.00 0.00 H new ATOM 1681 N GLU A 116 -9.809 -7.200 10.847 1.00 0.00 N ATOM 1682 CA GLU A 116 -9.781 -6.575 12.158 1.00 0.00 C ATOM 1683 C GLU A 116 -8.584 -7.084 12.964 1.00 0.00 C ATOM 1684 O GLU A 116 -8.149 -6.435 13.913 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.091 -6.817 12.909 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.579 -8.254 12.712 1.00 0.00 C ATOM 1687 CD GLU A 116 -11.797 -8.949 14.057 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -12.813 -8.621 14.707 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -10.942 -9.792 14.406 1.00 0.00 O ATOM 0 H GLU A 116 -8.907 -7.548 10.521 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.672 -5.499 12.023 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.947 -6.621 13.971 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.851 -6.120 12.556 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.510 -8.251 12.145 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.850 -8.812 12.124 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.087 -8.243 12.556 1.00 0.00 N ATOM 1697 CA GLU A 117 -6.950 -8.847 13.228 1.00 0.00 C ATOM 1698 C GLU A 117 -5.642 -8.349 12.610 1.00 0.00 C ATOM 1699 O GLU A 117 -5.535 -8.224 11.391 1.00 0.00 O ATOM 1700 CB GLU A 117 -7.032 -10.374 13.181 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.921 -10.910 14.304 1.00 0.00 C ATOM 1702 CD GLU A 117 -8.906 -11.954 13.774 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -8.535 -12.640 12.796 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -10.008 -12.044 14.357 1.00 0.00 O ATOM 0 H GLU A 117 -8.451 -8.779 11.768 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.972 -8.547 14.276 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.428 -10.691 12.216 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.032 -10.798 13.270 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.301 -11.353 15.083 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.470 -10.087 14.762 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.679 -8.079 13.479 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.382 -7.598 13.033 1.00 0.00 C ATOM 1713 C TYR A 118 -2.511 -8.752 12.533 1.00 0.00 C ATOM 1714 O TYR A 118 -2.177 -9.658 13.295 1.00 0.00 O ATOM 1715 CB TYR A 118 -2.720 -6.970 14.262 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.466 -6.154 13.944 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.579 -4.936 13.305 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.222 -6.635 14.297 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.398 -4.168 13.006 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.959 -5.867 13.998 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.813 -4.671 13.367 1.00 0.00 C ATOM 1722 OH TYR A 118 1.928 -3.946 13.084 1.00 0.00 O ATOM 0 H TYR A 118 -4.771 -8.184 14.489 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.497 -6.890 12.212 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.443 -6.326 14.762 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.458 -7.761 14.965 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.553 -4.559 13.029 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.134 -7.588 14.798 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.472 -3.214 12.506 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.939 -6.233 14.269 1.00 0.00 H new ATOM 0 HH TYR A 118 2.721 -4.428 13.400 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.168 -8.681 11.255 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.342 -9.709 10.645 1.00 0.00 C ATOM 1734 C LYS A 119 0.132 -9.325 10.789 1.00 0.00 C ATOM 1735 O LYS A 119 0.990 -10.191 10.954 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.775 -9.954 9.198 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.292 -10.126 9.101 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.738 -11.440 9.745 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.388 -11.191 11.107 1.00 0.00 C ATOM 1740 NZ LYS A 119 -3.857 -12.135 12.116 1.00 0.00 N ATOM 0 H LYS A 119 -2.447 -7.928 10.626 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.475 -10.661 11.160 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.460 -9.118 8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.279 -10.845 8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.788 -9.289 9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.597 -10.108 8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.444 -11.949 9.089 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.879 -12.101 9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.199 -10.166 11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.469 -11.305 11.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.621 -12.417 12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.479 -12.978 11.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.097 -11.674 12.657 1.00 0.00 H new ATOM 1754 N GLY A 120 0.382 -8.025 10.721 1.00 0.00 N ATOM 1755 CA GLY A 120 1.737 -7.516 10.842 1.00 0.00 C ATOM 1756 C GLY A 120 1.804 -6.038 10.454 1.00 0.00 C ATOM 1757 O GLY A 120 0.960 -5.245 10.869 1.00 0.00 O ATOM 0 H GLY A 120 -0.332 -7.309 10.584 1.00 0.00 H new ATOM 0 HA2 GLY A 120 2.087 -7.643 11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.405 -8.094 10.203 1.00 0.00 H new ATOM 1761 N GLU A 121 2.815 -5.711 9.663 1.00 0.00 N ATOM 1762 CA GLU A 121 3.003 -4.342 9.215 1.00 0.00 C ATOM 1763 C GLU A 121 3.505 -4.321 7.770 1.00 0.00 C ATOM 1764 O GLU A 121 4.154 -5.264 7.320 1.00 0.00 O ATOM 1765 CB GLU A 121 3.963 -3.589 10.139 1.00 0.00 C ATOM 1766 CG GLU A 121 5.365 -4.199 10.088 1.00 0.00 C ATOM 1767 CD GLU A 121 6.336 -3.416 10.973 1.00 0.00 C ATOM 1768 OE1 GLU A 121 6.023 -3.277 12.175 1.00 0.00 O ATOM 1769 OE2 GLU A 121 7.371 -2.974 10.428 1.00 0.00 O ATOM 0 H GLU A 121 3.513 -6.371 9.321 1.00 0.00 H new ATOM 0 HA GLU A 121 2.040 -3.833 9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.008 -2.540 9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.587 -3.618 11.162 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.326 -5.238 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.727 -4.203 9.060 1.00 0.00 H new ATOM 1776 N ILE A 122 3.184 -3.234 7.082 1.00 0.00 N ATOM 1777 CA ILE A 122 3.594 -3.078 5.697 1.00 0.00 C ATOM 1778 C ILE A 122 4.386 -1.778 5.547 1.00 0.00 C ATOM 1779 O ILE A 122 4.007 -0.748 6.104 1.00 0.00 O ATOM 1780 CB ILE A 122 2.383 -3.170 4.766 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.822 -3.304 3.306 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.440 -1.983 4.974 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.617 -3.517 2.389 1.00 0.00 C ATOM 0 H ILE A 122 2.645 -2.454 7.458 1.00 0.00 H new ATOM 0 HA ILE A 122 4.257 -3.892 5.403 1.00 0.00 H new ATOM 0 HB ILE A 122 1.826 -4.072 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.362 -2.407 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.513 -4.141 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.588 -2.073 4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 122 1.088 -1.975 6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.972 -1.055 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.957 -3.609 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 122 1.094 -4.427 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.941 -2.667 2.474 1.00 0.00 H new ATOM 1795 N TRP A 123 5.473 -1.867 4.794 1.00 0.00 N ATOM 1796 CA TRP A 123 6.322 -0.711 4.565 1.00 0.00 C ATOM 1797 C TRP A 123 6.027 -0.178 3.161 1.00 0.00 C ATOM 1798 O TRP A 123 6.127 -0.914 2.180 1.00 0.00 O ATOM 1799 CB TRP A 123 7.796 -1.063 4.773 1.00 0.00 C ATOM 1800 CG TRP A 123 8.196 -1.224 6.241 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.839 -2.196 7.091 1.00 0.00 C ATOM 1802 CD2 TRP A 123 9.050 -0.343 7.001 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.398 -2.007 8.339 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.158 -0.844 8.282 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.709 0.838 6.618 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 9.917 -0.229 9.285 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.464 1.441 7.632 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.583 0.949 8.926 1.00 0.00 C ATOM 0 H TRP A 123 5.785 -2.723 4.335 1.00 0.00 H new ATOM 0 HA TRP A 123 6.106 0.075 5.288 1.00 0.00 H new ATOM 0 HB2 TRP A 123 8.016 -1.990 4.243 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.412 -0.285 4.322 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.195 -3.023 6.832 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.276 -2.609 9.153 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.639 1.248 5.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.985 -0.641 10.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.991 2.353 7.391 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.187 1.473 9.652 1.00 0.00 H new ATOM 1819 N VAL A 124 5.669 1.097 3.109 1.00 0.00 N ATOM 1820 CA VAL A 124 5.359 1.736 1.842 1.00 0.00 C ATOM 1821 C VAL A 124 5.627 3.238 1.955 1.00 0.00 C ATOM 1822 O VAL A 124 5.237 3.870 2.935 1.00 0.00 O ATOM 1823 CB VAL A 124 3.920 1.415 1.432 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.603 1.987 0.049 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.661 -0.093 1.475 1.00 0.00 C ATOM 0 H VAL A 124 5.587 1.704 3.924 1.00 0.00 H new ATOM 0 HA VAL A 124 6.002 1.349 1.052 1.00 0.00 H new ATOM 0 HB VAL A 124 3.253 1.890 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.574 1.745 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.728 3.070 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.280 1.555 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.631 -0.294 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.341 -0.599 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.826 -0.462 2.487 1.00 0.00 H new ATOM 1835 N ALA A 125 6.291 3.766 0.937 1.00 0.00 N ATOM 1836 CA ALA A 125 6.616 5.182 0.909 1.00 0.00 C ATOM 1837 C ALA A 125 5.682 5.896 -0.069 1.00 0.00 C ATOM 1838 O ALA A 125 5.277 5.321 -1.078 1.00 0.00 O ATOM 1839 CB ALA A 125 8.091 5.360 0.543 1.00 0.00 C ATOM 0 H ALA A 125 6.613 3.238 0.125 1.00 0.00 H new ATOM 0 HA ALA A 125 6.468 5.629 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.335 6.422 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.713 4.859 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.277 4.925 -0.439 1.00 0.00 H new ATOM 1845 N LEU A 126 5.366 7.139 0.264 1.00 0.00 N ATOM 1846 CA LEU A 126 4.487 7.938 -0.573 1.00 0.00 C ATOM 1847 C LEU A 126 5.193 9.242 -0.948 1.00 0.00 C ATOM 1848 O LEU A 126 5.821 9.878 -0.103 1.00 0.00 O ATOM 1849 CB LEU A 126 3.136 8.146 0.115 1.00 0.00 C ATOM 1850 CG LEU A 126 2.520 6.909 0.772 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.637 7.301 1.958 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.762 6.064 -0.254 1.00 0.00 C ATOM 0 H LEU A 126 5.703 7.612 1.102 1.00 0.00 H new ATOM 0 HA LEU A 126 4.268 7.415 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.253 8.917 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.431 8.531 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 126 3.328 6.291 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.211 6.404 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.237 7.828 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.833 7.951 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.334 5.191 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.963 6.659 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.448 5.739 -1.036 1.00 0.00 H new ATOM 1864 N SER A 127 5.067 9.602 -2.217 1.00 0.00 N ATOM 1865 CA SER A 127 5.686 10.819 -2.715 1.00 0.00 C ATOM 1866 C SER A 127 4.773 11.487 -3.745 1.00 0.00 C ATOM 1867 O SER A 127 4.758 11.098 -4.911 1.00 0.00 O ATOM 1868 CB SER A 127 7.056 10.529 -3.330 1.00 0.00 C ATOM 1869 OG SER A 127 7.986 10.052 -2.361 1.00 0.00 O ATOM 0 H SER A 127 4.545 9.072 -2.915 1.00 0.00 H new ATOM 0 HA SER A 127 5.832 11.497 -1.874 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.948 9.790 -4.124 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.446 11.437 -3.791 1.00 0.00 H new ATOM 0 HG SER A 127 8.848 9.877 -2.793 1.00 0.00 H new ATOM 1875 N PHE A 128 4.032 12.481 -3.276 1.00 0.00 N ATOM 1876 CA PHE A 128 3.118 13.206 -4.141 1.00 0.00 C ATOM 1877 C PHE A 128 3.880 14.150 -5.074 1.00 0.00 C ATOM 1878 O PHE A 128 5.005 14.549 -4.776 1.00 0.00 O ATOM 1879 CB PHE A 128 2.204 14.032 -3.235 1.00 0.00 C ATOM 1880 CG PHE A 128 1.049 14.714 -3.971 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.178 13.972 -4.705 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.894 16.063 -3.890 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.894 14.606 -5.388 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.178 16.697 -4.573 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.049 15.954 -5.308 1.00 0.00 C ATOM 0 H PHE A 128 4.047 12.801 -2.308 1.00 0.00 H new ATOM 0 HA PHE A 128 2.554 12.506 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.795 13.383 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.800 14.793 -2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.301 12.901 -4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.586 16.652 -3.306 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.586 14.017 -5.971 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.302 17.768 -4.509 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.864 16.435 -5.828 1.00 0.00 H new ATOM 1895 N LYS A 129 3.236 14.480 -6.184 1.00 0.00 N ATOM 1896 CA LYS A 129 3.838 15.370 -7.162 1.00 0.00 C ATOM 1897 C LYS A 129 2.769 16.316 -7.711 1.00 0.00 C ATOM 1898 O LYS A 129 2.107 16.004 -8.700 1.00 0.00 O ATOM 1899 CB LYS A 129 4.562 14.566 -8.244 1.00 0.00 C ATOM 1900 CG LYS A 129 5.933 14.096 -7.754 1.00 0.00 C ATOM 1901 CD LYS A 129 6.444 12.925 -8.595 1.00 0.00 C ATOM 1902 CE LYS A 129 7.039 11.831 -7.707 1.00 0.00 C ATOM 1903 NZ LYS A 129 8.518 11.902 -7.716 1.00 0.00 N ATOM 0 H LYS A 129 2.303 14.147 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 129 4.602 15.990 -6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.958 13.704 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.682 15.178 -9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.643 14.921 -7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.866 13.795 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.626 12.513 -9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.199 13.279 -9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 129 6.670 11.942 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 129 6.714 10.852 -8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.905 11.152 -7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.866 11.774 -8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.823 12.830 -7.358 1.00 0.00 H new ATOM 1917 N PRO A 130 2.629 17.484 -7.028 1.00 0.00 N ATOM 1918 CA PRO A 130 1.651 18.478 -7.437 1.00 0.00 C ATOM 1919 C PRO A 130 2.119 19.225 -8.688 1.00 0.00 C ATOM 1920 O PRO A 130 3.307 19.502 -8.842 1.00 0.00 O ATOM 1921 CB PRO A 130 1.485 19.386 -6.230 1.00 0.00 C ATOM 1922 CG PRO A 130 2.708 19.150 -5.359 1.00 0.00 C ATOM 1923 CD PRO A 130 3.395 17.888 -5.853 1.00 0.00 C ATOM 0 HA PRO A 130 0.696 18.037 -7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.418 20.431 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.569 19.152 -5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 130 3.387 20.001 -5.415 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.417 19.042 -4.314 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.438 18.078 -6.107 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.389 17.110 -5.090 1.00 0.00 H new ATOM 1931 N SER A 131 1.160 19.531 -9.549 1.00 0.00 N ATOM 1932 CA SER A 131 1.458 20.241 -10.781 1.00 0.00 C ATOM 1933 C SER A 131 1.451 21.750 -10.530 1.00 0.00 C ATOM 1934 O SER A 131 0.700 22.485 -11.169 1.00 0.00 O ATOM 1935 CB SER A 131 0.457 19.881 -11.881 1.00 0.00 C ATOM 1936 OG SER A 131 0.409 18.477 -12.120 1.00 0.00 O ATOM 0 H SER A 131 0.175 19.300 -9.418 1.00 0.00 H new ATOM 0 HA SER A 131 2.450 19.940 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.535 20.235 -11.599 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.729 20.397 -12.802 1.00 0.00 H new ATOM 0 HG SER A 131 -0.242 18.288 -12.827 1.00 0.00 H new