USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 67 SER OG : rot 180:sc= -0.302 USER MOD Set 1.2: B 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 20 TYR OH : rot -130:sc= 1.15 USER MOD Set 2.2: B 97 LYS NZ :NH3+ -133:sc= 1.2 (180deg=-0.249) USER MOD Single : A 5 SER OG : rot 19:sc= 0.416 USER MOD Single : A 7 GLN : amide:sc= -0.938! C(o=-0.94!,f=-1.3!) USER MOD Single : B 34 TYR OH : rot -30:sc= 0.102 USER MOD Single : B 37 LYS NZ :NH3+ -133:sc= 1.22 (180deg=-0.617) USER MOD Single : B 38 MET CE :methyl -162:sc= 0 (180deg=-0.271) USER MOD Single : B 39 LYS NZ :NH3+ 169:sc= -0.0109 (180deg=-0.174) USER MOD Single : B 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0376) USER MOD Single : B 46 TYR OH : rot -146:sc=0.000676 USER MOD Single : B 47 LYS NZ :NH3+ -169:sc= 2.34 (180deg=2.19) USER MOD Single : B 54 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 55 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.13) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 68 TYR OH : rot 180:sc= -0.136 USER MOD Single : B 69 ASN :FLIP amide:sc= -0.283 F(o=-1.7,f=-0.28) USER MOD Single : B 73 ASN : amide:sc= -2.99! C(o=-3!,f=-3.9!) USER MOD Single : B 78 ASN : amide:sc= -0.195 K(o=-0.2,f=-3.1!) USER MOD Single : B 80 LYS NZ :NH3+ -127:sc= -0.41 (180deg=-1.99!) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN :FLIP amide:sc= -1.6! C(o=-3!,f=-1.6!) USER MOD Single : B 100 HIS : no HE2:sc= 0.89 K(o=0.89,f=-3.2!) USER MOD Single : B 103 LYS NZ :NH3+ 172:sc= 0.158 (180deg=-0.021) USER MOD Single : B 106 THR OG1 : rot 151:sc= 1.07 USER MOD Single : B 108 TYR OH : rot 33:sc= 0.615 USER MOD Single : B 110 TYR OH : rot -169:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 8.039 14.190 -7.235 1.00 0.00 N ATOM 60 CA SER A 5 7.192 13.062 -6.901 1.00 0.00 C ATOM 61 C SER A 5 7.180 12.071 -8.061 1.00 0.00 C ATOM 62 O SER A 5 7.026 12.460 -9.220 1.00 0.00 O ATOM 63 CB SER A 5 5.769 13.539 -6.581 1.00 0.00 C ATOM 64 OG SER A 5 5.789 14.763 -5.858 1.00 0.00 O ATOM 0 HA SER A 5 7.589 12.565 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.209 13.669 -7.507 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.249 12.778 -5.999 1.00 0.00 H new ATOM 0 HG SER A 5 6.659 15.198 -5.975 1.00 0.00 H new ATOM 70 N VAL A 6 7.363 10.799 -7.751 1.00 0.00 N ATOM 71 CA VAL A 6 7.433 9.764 -8.772 1.00 0.00 C ATOM 72 C VAL A 6 6.330 8.739 -8.577 1.00 0.00 C ATOM 73 O VAL A 6 5.981 8.397 -7.451 1.00 0.00 O ATOM 74 CB VAL A 6 8.799 9.048 -8.758 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.899 9.986 -9.221 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.112 8.504 -7.372 1.00 0.00 C ATOM 0 H VAL A 6 7.466 10.456 -6.796 1.00 0.00 H new ATOM 0 HA VAL A 6 7.305 10.256 -9.736 1.00 0.00 H new ATOM 0 HB VAL A 6 8.747 8.208 -9.450 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.855 9.462 -9.204 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.687 10.322 -10.236 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.946 10.848 -8.556 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.080 8.004 -7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.140 9.326 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.341 7.792 -7.078 1.00 0.00 H new ATOM 86 N GLN A 7 5.785 8.249 -9.674 1.00 0.00 N ATOM 87 CA GLN A 7 4.716 7.267 -9.610 1.00 0.00 C ATOM 88 C GLN A 7 5.313 5.877 -9.458 1.00 0.00 C ATOM 89 O GLN A 7 6.314 5.551 -10.098 1.00 0.00 O ATOM 90 CB GLN A 7 3.815 7.335 -10.855 1.00 0.00 C ATOM 91 CG GLN A 7 4.435 6.776 -12.134 1.00 0.00 C ATOM 92 CD GLN A 7 5.602 7.596 -12.649 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.422 8.531 -13.429 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.807 7.244 -12.229 1.00 0.00 N ATOM 0 H GLN A 7 6.063 8.513 -10.619 1.00 0.00 H new ATOM 0 HA GLN A 7 4.092 7.490 -8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.894 6.790 -10.648 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.538 8.375 -11.028 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.771 5.756 -11.949 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.669 6.724 -12.907 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.914 6.463 -11.582 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.629 7.754 -12.552 1.00 0.00 H new ATOM 103 N ILE A 8 4.727 5.069 -8.596 1.00 0.00 N ATOM 104 CA ILE A 8 5.237 3.729 -8.381 1.00 0.00 C ATOM 105 C ILE A 8 4.327 2.710 -9.049 1.00 0.00 C ATOM 106 O ILE A 8 3.132 2.648 -8.752 1.00 0.00 O ATOM 107 CB ILE A 8 5.359 3.385 -6.884 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.943 4.561 -6.093 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.226 2.146 -6.707 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.281 5.044 -6.603 1.00 0.00 C ATOM 0 H ILE A 8 3.908 5.312 -8.039 1.00 0.00 H new ATOM 0 HA ILE A 8 6.234 3.694 -8.820 1.00 0.00 H new ATOM 0 HB ILE A 8 4.361 3.183 -6.495 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.235 5.390 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.049 4.266 -5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.308 1.908 -5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.772 1.306 -7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.219 2.336 -7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.625 5.877 -5.990 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.005 4.231 -6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.179 5.373 -7.637 1.00 0.00 H new ATOM 122 N PRO A 9 4.870 1.917 -9.978 1.00 0.00 N ATOM 123 CA PRO A 9 4.104 0.878 -10.657 1.00 0.00 C ATOM 124 C PRO A 9 3.733 -0.261 -9.718 1.00 0.00 C ATOM 125 O PRO A 9 4.592 -0.852 -9.061 1.00 0.00 O ATOM 126 CB PRO A 9 5.044 0.384 -11.754 1.00 0.00 C ATOM 127 CG PRO A 9 6.413 0.726 -11.274 1.00 0.00 C ATOM 128 CD PRO A 9 6.267 1.973 -10.444 1.00 0.00 C ATOM 0 HA PRO A 9 3.157 1.257 -11.041 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.938 -0.689 -11.911 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.828 0.868 -12.706 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.833 -0.088 -10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.089 0.893 -12.112 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.968 1.984 -9.609 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.458 2.871 -11.032 1.00 0.00 H new ATOM 136 N VAL A 10 2.450 -0.559 -9.656 1.00 0.00 N ATOM 137 CA VAL A 10 1.957 -1.619 -8.795 1.00 0.00 C ATOM 138 C VAL A 10 1.632 -2.861 -9.610 1.00 0.00 C ATOM 139 O VAL A 10 0.923 -2.798 -10.618 1.00 0.00 O ATOM 140 CB VAL A 10 0.718 -1.172 -7.979 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.295 -0.462 -8.861 1.00 0.00 C ATOM 142 CG2 VAL A 10 0.067 -2.358 -7.278 1.00 0.00 C ATOM 0 H VAL A 10 1.727 -0.081 -10.193 1.00 0.00 H new ATOM 0 HA VAL A 10 2.750 -1.857 -8.086 1.00 0.00 H new ATOM 0 HB VAL A 10 1.063 -0.469 -7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.153 -0.161 -8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.165 0.421 -9.305 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.625 -1.136 -9.652 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.800 -2.016 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.250 -3.090 -8.021 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.785 -2.818 -6.599 1.00 0.00 H new ATOM 152 N VAL A 11 2.180 -3.984 -9.184 1.00 0.00 N ATOM 153 CA VAL A 11 1.928 -5.249 -9.844 1.00 0.00 C ATOM 154 C VAL A 11 0.793 -5.980 -9.142 1.00 0.00 C ATOM 155 O VAL A 11 0.834 -6.183 -7.928 1.00 0.00 O ATOM 156 CB VAL A 11 3.185 -6.143 -9.854 1.00 0.00 C ATOM 157 CG1 VAL A 11 2.930 -7.423 -10.633 1.00 0.00 C ATOM 158 CG2 VAL A 11 4.374 -5.389 -10.432 1.00 0.00 C ATOM 0 H VAL A 11 2.805 -4.044 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 11 1.652 -5.037 -10.877 1.00 0.00 H new ATOM 0 HB VAL A 11 3.419 -6.414 -8.824 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.830 -8.038 -10.627 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.111 -7.974 -10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.666 -7.177 -11.661 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.251 -6.036 -10.431 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.150 -5.084 -11.454 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.574 -4.506 -9.826 1.00 0.00 H new ATOM 168 N GLU A 12 -0.231 -6.348 -9.893 1.00 0.00 N ATOM 169 CA GLU A 12 -1.351 -7.075 -9.324 1.00 0.00 C ATOM 170 C GLU A 12 -1.144 -8.567 -9.475 1.00 0.00 C ATOM 171 O GLU A 12 -1.443 -9.159 -10.513 1.00 0.00 O ATOM 172 CB GLU A 12 -2.672 -6.646 -9.950 1.00 0.00 C ATOM 173 CG GLU A 12 -3.038 -5.216 -9.615 1.00 0.00 C ATOM 174 CD GLU A 12 -4.473 -4.885 -9.947 1.00 0.00 C ATOM 175 OE1 GLU A 12 -5.346 -5.125 -9.089 1.00 0.00 O ATOM 176 OE2 GLU A 12 -4.736 -4.378 -11.057 1.00 0.00 O ATOM 0 H GLU A 12 -0.310 -6.157 -10.892 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.400 -6.836 -8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.610 -6.757 -11.033 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.465 -7.310 -9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.866 -5.041 -8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.379 -4.540 -10.160 1.00 0.00 H new ATOM 183 N VAL A 13 -0.626 -9.157 -8.421 1.00 0.00 N ATOM 184 CA VAL A 13 -0.317 -10.574 -8.393 1.00 0.00 C ATOM 185 C VAL A 13 -1.315 -11.311 -7.519 1.00 0.00 C ATOM 186 O VAL A 13 -2.197 -10.698 -6.918 1.00 0.00 O ATOM 187 CB VAL A 13 1.111 -10.828 -7.857 1.00 0.00 C ATOM 188 CG1 VAL A 13 2.153 -10.477 -8.903 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.353 -10.025 -6.588 1.00 0.00 C ATOM 0 H VAL A 13 -0.405 -8.667 -7.554 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.377 -10.944 -9.416 1.00 0.00 H new ATOM 0 HB VAL A 13 1.200 -11.889 -7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.149 -10.664 -8.502 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.998 -11.090 -9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.061 -9.424 -9.169 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.363 -10.215 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.239 -8.962 -6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.631 -10.321 -5.827 1.00 0.00 H new ATOM 199 N ASP A 14 -1.176 -12.624 -7.449 1.00 0.00 N ATOM 200 CA ASP A 14 -2.025 -13.424 -6.590 1.00 0.00 C ATOM 201 C ASP A 14 -1.313 -13.642 -5.268 1.00 0.00 C ATOM 202 O ASP A 14 -1.913 -14.062 -4.277 1.00 0.00 O ATOM 203 CB ASP A 14 -2.360 -14.759 -7.253 1.00 0.00 C ATOM 204 CG ASP A 14 -3.571 -15.420 -6.633 1.00 0.00 C ATOM 205 OD1 ASP A 14 -4.688 -14.888 -6.796 1.00 0.00 O ATOM 206 OD2 ASP A 14 -3.420 -16.476 -5.987 1.00 0.00 O ATOM 0 H ASP A 14 -0.484 -13.156 -7.977 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.965 -12.901 -6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.541 -14.599 -8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.503 -15.427 -7.172 1.00 0.00 H new ATOM 211 N GLU A 15 -0.016 -13.338 -5.280 1.00 0.00 N ATOM 212 CA GLU A 15 0.817 -13.353 -4.088 1.00 0.00 C ATOM 213 C GLU A 15 2.234 -12.924 -4.447 1.00 0.00 C ATOM 214 O GLU A 15 2.585 -12.855 -5.625 1.00 0.00 O ATOM 215 CB GLU A 15 0.828 -14.734 -3.447 1.00 0.00 C ATOM 216 CG GLU A 15 1.477 -15.810 -4.302 1.00 0.00 C ATOM 217 CD GLU A 15 1.375 -17.182 -3.677 1.00 0.00 C ATOM 218 OE1 GLU A 15 0.341 -17.853 -3.874 1.00 0.00 O ATOM 219 OE2 GLU A 15 2.325 -17.596 -2.979 1.00 0.00 O ATOM 0 H GLU A 15 0.486 -13.073 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 15 0.401 -12.652 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.354 -14.676 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.198 -15.029 -3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.004 -15.825 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.527 -15.562 -4.458 1.00 0.00 H new ATOM 226 N LEU A 16 3.040 -12.628 -3.437 1.00 0.00 N ATOM 227 CA LEU A 16 4.411 -12.191 -3.657 1.00 0.00 C ATOM 228 C LEU A 16 5.281 -13.361 -4.087 1.00 0.00 C ATOM 229 O LEU A 16 5.026 -14.504 -3.707 1.00 0.00 O ATOM 230 CB LEU A 16 5.002 -11.567 -2.386 1.00 0.00 C ATOM 231 CG LEU A 16 4.264 -10.349 -1.824 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.663 -9.515 -2.932 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.194 -10.770 -0.842 1.00 0.00 C ATOM 0 H LEU A 16 2.767 -12.683 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 16 4.393 -11.440 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.036 -12.334 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.032 -11.277 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 16 4.995 -9.737 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.146 -8.657 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.455 -9.166 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.955 -10.119 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.685 -9.886 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.473 -11.415 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.652 -11.313 -0.015 1.00 0.00 H new ATOM 245 N PRO A 17 6.316 -13.091 -4.895 1.00 0.00 N ATOM 246 CA PRO A 17 7.284 -14.110 -5.296 1.00 0.00 C ATOM 247 C PRO A 17 8.150 -14.552 -4.121 1.00 0.00 C ATOM 248 O PRO A 17 8.147 -13.919 -3.060 1.00 0.00 O ATOM 249 CB PRO A 17 8.134 -13.405 -6.354 1.00 0.00 C ATOM 250 CG PRO A 17 7.999 -11.955 -6.057 1.00 0.00 C ATOM 251 CD PRO A 17 6.622 -11.773 -5.483 1.00 0.00 C ATOM 0 HA PRO A 17 6.803 -15.016 -5.664 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.175 -13.723 -6.299 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.783 -13.636 -7.360 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.762 -11.629 -5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.126 -11.359 -6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.602 -10.984 -4.731 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.900 -11.499 -6.252 1.00 0.00 H new ATOM 259 N GLU A 18 8.888 -15.635 -4.315 1.00 0.00 N ATOM 260 CA GLU A 18 9.740 -16.174 -3.267 1.00 0.00 C ATOM 261 C GLU A 18 10.783 -15.151 -2.837 1.00 0.00 C ATOM 262 O GLU A 18 11.336 -14.425 -3.663 1.00 0.00 O ATOM 263 CB GLU A 18 10.416 -17.457 -3.741 1.00 0.00 C ATOM 264 CG GLU A 18 9.431 -18.570 -4.046 1.00 0.00 C ATOM 265 CD GLU A 18 10.118 -19.855 -4.441 1.00 0.00 C ATOM 266 OE1 GLU A 18 10.685 -20.525 -3.554 1.00 0.00 O ATOM 267 OE2 GLU A 18 10.084 -20.208 -5.637 1.00 0.00 O ATOM 0 H GLU A 18 8.914 -16.158 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 18 9.116 -16.406 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.002 -17.243 -4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.114 -17.797 -2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.807 -18.749 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.768 -18.254 -4.851 1.00 0.00 H new ATOM 274 N GLY A 19 11.034 -15.092 -1.540 1.00 0.00 N ATOM 275 CA GLY A 19 11.950 -14.111 -1.001 1.00 0.00 C ATOM 276 C GLY A 19 11.227 -13.057 -0.189 1.00 0.00 C ATOM 277 O GLY A 19 11.812 -12.431 0.696 1.00 0.00 O ATOM 0 H GLY A 19 10.616 -15.711 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.690 -14.609 -0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.493 -13.633 -1.816 1.00 0.00 H new ATOM 281 N TYR A 20 9.947 -12.869 -0.483 1.00 0.00 N ATOM 282 CA TYR A 20 9.127 -11.905 0.238 1.00 0.00 C ATOM 283 C TYR A 20 8.534 -12.523 1.496 1.00 0.00 C ATOM 284 O TYR A 20 8.515 -13.745 1.655 1.00 0.00 O ATOM 285 CB TYR A 20 8.000 -11.380 -0.651 1.00 0.00 C ATOM 286 CG TYR A 20 8.429 -10.308 -1.624 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.384 -8.969 -1.263 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.868 -10.628 -2.901 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.764 -7.978 -2.144 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.251 -9.642 -3.788 1.00 0.00 C ATOM 291 CZ TYR A 20 9.198 -8.320 -3.405 1.00 0.00 C ATOM 292 OH TYR A 20 9.584 -7.337 -4.284 1.00 0.00 O ATOM 0 H TYR A 20 9.453 -13.374 -1.219 1.00 0.00 H new ATOM 0 HA TYR A 20 9.773 -11.075 0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.575 -12.214 -1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.207 -10.984 -0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.045 -8.698 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.911 -11.663 -3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.721 -6.941 -1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.591 -9.906 -4.778 1.00 0.00 H new ATOM 0 HH TYR A 20 9.133 -7.471 -5.144 1.00 0.00 H new ATOM 302 N ASP A 21 8.047 -11.670 2.385 1.00 0.00 N ATOM 303 CA ASP A 21 7.438 -12.122 3.626 1.00 0.00 C ATOM 304 C ASP A 21 5.948 -11.820 3.633 1.00 0.00 C ATOM 305 O ASP A 21 5.521 -10.707 3.958 1.00 0.00 O ATOM 306 CB ASP A 21 8.112 -11.473 4.837 1.00 0.00 C ATOM 307 CG ASP A 21 7.418 -11.828 6.136 1.00 0.00 C ATOM 308 OD1 ASP A 21 7.426 -13.020 6.515 1.00 0.00 O ATOM 309 OD2 ASP A 21 6.864 -10.921 6.782 1.00 0.00 O ATOM 0 H ASP A 21 8.062 -10.657 2.269 1.00 0.00 H new ATOM 0 HA ASP A 21 7.578 -13.201 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.154 -11.791 4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.115 -10.390 4.712 1.00 0.00 H new ATOM 314 N ARG A 22 5.163 -12.810 3.248 1.00 0.00 N ATOM 315 CA ARG A 22 3.720 -12.682 3.236 1.00 0.00 C ATOM 316 C ARG A 22 3.127 -13.367 4.457 1.00 0.00 C ATOM 317 O ARG A 22 3.670 -14.358 4.948 1.00 0.00 O ATOM 318 CB ARG A 22 3.149 -13.279 1.948 1.00 0.00 C ATOM 319 CG ARG A 22 1.632 -13.240 1.868 1.00 0.00 C ATOM 320 CD ARG A 22 1.155 -13.272 0.429 1.00 0.00 C ATOM 321 NE ARG A 22 -0.285 -13.483 0.327 1.00 0.00 N ATOM 322 CZ ARG A 22 -0.850 -14.622 -0.066 1.00 0.00 C ATOM 323 NH1 ARG A 22 -0.101 -15.681 -0.365 1.00 0.00 N ATOM 324 NH2 ARG A 22 -2.169 -14.696 -0.152 1.00 0.00 N ATOM 0 H ARG A 22 5.506 -13.719 2.937 1.00 0.00 H new ATOM 0 HA ARG A 22 3.455 -11.625 3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.562 -12.739 1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.481 -14.314 1.861 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.215 -14.089 2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.263 -12.338 2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.418 -12.334 -0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.675 -14.066 -0.106 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.899 -12.707 0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.915 -15.624 -0.294 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.543 -16.550 -0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.742 -13.885 0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.613 -15.564 -0.452 1.00 0.00 H new ATOM 491 N GLU B 33 -12.957 0.566 2.866 1.00 0.00 N ATOM 492 CA GLU B 33 -12.406 0.625 4.200 1.00 0.00 C ATOM 493 C GLU B 33 -11.094 -0.145 4.232 1.00 0.00 C ATOM 494 O GLU B 33 -11.081 -1.374 4.284 1.00 0.00 O ATOM 495 CB GLU B 33 -13.408 0.050 5.206 1.00 0.00 C ATOM 496 CG GLU B 33 -12.949 0.138 6.650 1.00 0.00 C ATOM 497 CD GLU B 33 -14.008 -0.334 7.627 1.00 0.00 C ATOM 498 OE1 GLU B 33 -15.178 0.085 7.492 1.00 0.00 O ATOM 499 OE2 GLU B 33 -13.680 -1.123 8.541 1.00 0.00 O ATOM 0 HA GLU B 33 -12.211 1.661 4.476 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.355 0.579 5.103 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.598 -0.994 4.958 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -12.048 -0.462 6.778 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.681 1.169 6.880 1.00 0.00 H new ATOM 506 N TYR B 34 -9.997 0.583 4.142 1.00 0.00 N ATOM 507 CA TYR B 34 -8.677 -0.024 4.156 1.00 0.00 C ATOM 508 C TYR B 34 -8.152 -0.135 5.575 1.00 0.00 C ATOM 509 O TYR B 34 -8.519 0.654 6.445 1.00 0.00 O ATOM 510 CB TYR B 34 -7.693 0.790 3.318 1.00 0.00 C ATOM 511 CG TYR B 34 -7.977 0.796 1.833 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.692 -0.314 1.049 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.512 1.918 1.213 1.00 0.00 C ATOM 514 CE1 TYR B 34 -7.935 -0.307 -0.311 1.00 0.00 C ATOM 515 CE2 TYR B 34 -8.755 1.934 -0.146 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.466 0.820 -0.903 1.00 0.00 C ATOM 517 OH TYR B 34 -8.708 0.834 -2.256 1.00 0.00 O ATOM 0 H TYR B 34 -9.993 1.600 4.058 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.770 -1.022 3.727 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.695 1.819 3.678 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.689 0.398 3.480 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.274 -1.197 1.510 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.742 2.792 1.804 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -7.710 -1.179 -0.907 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.169 2.815 -0.613 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.068 0.246 -2.709 1.00 0.00 H new ATOM 527 N GLU B 35 -7.290 -1.110 5.801 1.00 0.00 N ATOM 528 CA GLU B 35 -6.670 -1.291 7.097 1.00 0.00 C ATOM 529 C GLU B 35 -5.164 -1.415 6.928 1.00 0.00 C ATOM 530 O GLU B 35 -4.677 -2.314 6.242 1.00 0.00 O ATOM 531 CB GLU B 35 -7.243 -2.521 7.798 1.00 0.00 C ATOM 532 CG GLU B 35 -6.934 -2.571 9.284 1.00 0.00 C ATOM 533 CD GLU B 35 -7.699 -3.666 9.994 1.00 0.00 C ATOM 534 OE1 GLU B 35 -8.916 -3.495 10.215 1.00 0.00 O ATOM 535 OE2 GLU B 35 -7.099 -4.707 10.326 1.00 0.00 O ATOM 0 H GLU B 35 -7.004 -1.791 5.098 1.00 0.00 H new ATOM 0 HA GLU B 35 -6.883 -0.423 7.721 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.324 -2.538 7.659 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -6.847 -3.418 7.322 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -5.865 -2.728 9.425 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.177 -1.609 9.736 1.00 0.00 H new ATOM 542 N VAL B 36 -4.447 -0.488 7.536 1.00 0.00 N ATOM 543 CA VAL B 36 -2.999 -0.402 7.408 1.00 0.00 C ATOM 544 C VAL B 36 -2.291 -1.069 8.587 1.00 0.00 C ATOM 545 O VAL B 36 -2.635 -0.835 9.747 1.00 0.00 O ATOM 546 CB VAL B 36 -2.544 1.071 7.319 1.00 0.00 C ATOM 547 CG1 VAL B 36 -1.039 1.165 7.129 1.00 0.00 C ATOM 548 CG2 VAL B 36 -3.274 1.789 6.195 1.00 0.00 C ATOM 0 H VAL B 36 -4.852 0.231 8.136 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.729 -0.926 6.491 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.795 1.561 8.260 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.745 2.213 7.069 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.536 0.694 7.973 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.756 0.656 6.208 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -2.940 2.826 6.148 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -3.059 1.295 5.247 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.347 1.762 6.383 1.00 0.00 H new ATOM 558 N LYS B 37 -1.305 -1.903 8.275 1.00 0.00 N ATOM 559 CA LYS B 37 -0.483 -2.552 9.288 1.00 0.00 C ATOM 560 C LYS B 37 0.980 -2.259 8.983 1.00 0.00 C ATOM 561 O LYS B 37 1.411 -2.391 7.838 1.00 0.00 O ATOM 562 CB LYS B 37 -0.705 -4.075 9.312 1.00 0.00 C ATOM 563 CG LYS B 37 -2.148 -4.519 9.538 1.00 0.00 C ATOM 564 CD LYS B 37 -2.980 -4.410 8.267 1.00 0.00 C ATOM 565 CE LYS B 37 -4.388 -4.947 8.461 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.401 -6.405 8.746 1.00 0.00 N ATOM 0 H LYS B 37 -1.054 -2.147 7.317 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.763 -2.161 10.266 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.358 -4.491 8.366 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.083 -4.504 10.097 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.160 -5.550 9.893 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.598 -3.908 10.320 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.030 -3.367 7.954 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.489 -4.960 7.464 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -4.868 -4.414 9.282 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -4.977 -4.749 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -5.116 -6.869 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.464 -6.807 8.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.632 -6.561 9.748 1.00 0.00 H new ATOM 580 N MET B 38 1.740 -1.861 9.989 1.00 0.00 N ATOM 581 CA MET B 38 3.125 -1.465 9.773 1.00 0.00 C ATOM 582 C MET B 38 4.069 -2.382 10.543 1.00 0.00 C ATOM 583 O MET B 38 3.789 -2.751 11.682 1.00 0.00 O ATOM 584 CB MET B 38 3.318 -0.015 10.202 1.00 0.00 C ATOM 585 CG MET B 38 4.247 0.747 9.285 1.00 0.00 C ATOM 586 SD MET B 38 4.019 2.530 9.364 1.00 0.00 S ATOM 587 CE MET B 38 4.695 2.982 7.771 1.00 0.00 C ATOM 0 H MET B 38 1.426 -1.803 10.958 1.00 0.00 H new ATOM 0 HA MET B 38 3.358 -1.553 8.712 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.349 0.484 10.227 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.715 0.009 11.217 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.279 0.508 9.543 1.00 0.00 H new ATOM 0 HG3 MET B 38 4.089 0.412 8.260 1.00 0.00 H new ATOM 0 HE1 MET B 38 4.934 4.046 7.765 1.00 0.00 H new ATOM 0 HE2 MET B 38 5.601 2.406 7.584 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.963 2.770 6.992 1.00 0.00 H new ATOM 597 N LYS B 39 5.184 -2.753 9.928 1.00 0.00 N ATOM 598 CA LYS B 39 6.099 -3.710 10.542 1.00 0.00 C ATOM 599 C LYS B 39 7.543 -3.359 10.196 1.00 0.00 C ATOM 600 O LYS B 39 7.864 -3.097 9.038 1.00 0.00 O ATOM 601 CB LYS B 39 5.755 -5.130 10.068 1.00 0.00 C ATOM 602 CG LYS B 39 6.107 -6.234 11.060 1.00 0.00 C ATOM 603 CD LYS B 39 7.602 -6.497 11.129 1.00 0.00 C ATOM 604 CE LYS B 39 7.936 -7.577 12.147 1.00 0.00 C ATOM 605 NZ LYS B 39 7.303 -8.881 11.812 1.00 0.00 N ATOM 0 H LYS B 39 5.476 -2.410 9.013 1.00 0.00 H new ATOM 0 HA LYS B 39 5.991 -3.666 11.626 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.687 -5.179 9.854 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.277 -5.322 9.131 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.743 -5.958 12.050 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.592 -7.152 10.776 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.964 -6.798 10.146 1.00 0.00 H new ATOM 0 HD3 LYS B 39 8.122 -5.576 11.392 1.00 0.00 H new ATOM 0 HE2 LYS B 39 9.017 -7.703 12.199 1.00 0.00 H new ATOM 0 HE3 LYS B 39 7.605 -7.257 13.135 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 7.702 -9.626 12.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 6.277 -8.819 11.969 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 7.488 -9.110 10.815 1.00 0.00 H new ATOM 619 N ARG B 40 8.402 -3.354 11.205 1.00 0.00 N ATOM 620 CA ARG B 40 9.798 -2.965 11.033 1.00 0.00 C ATOM 621 C ARG B 40 10.687 -4.184 10.788 1.00 0.00 C ATOM 622 O ARG B 40 10.575 -5.198 11.480 1.00 0.00 O ATOM 623 CB ARG B 40 10.295 -2.197 12.264 1.00 0.00 C ATOM 624 CG ARG B 40 9.880 -0.728 12.313 1.00 0.00 C ATOM 625 CD ARG B 40 8.371 -0.539 12.330 1.00 0.00 C ATOM 626 NE ARG B 40 7.734 -1.192 13.471 1.00 0.00 N ATOM 627 CZ ARG B 40 6.457 -1.019 13.807 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.695 -0.172 13.126 1.00 0.00 N ATOM 629 NH2 ARG B 40 5.946 -1.675 14.840 1.00 0.00 N ATOM 0 H ARG B 40 8.156 -3.617 12.159 1.00 0.00 H new ATOM 0 HA ARG B 40 9.857 -2.317 10.158 1.00 0.00 H new ATOM 0 HB2 ARG B 40 9.924 -2.695 13.160 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.383 -2.254 12.295 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.309 -0.264 13.201 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.296 -0.209 11.450 1.00 0.00 H new ATOM 0 HD2 ARG B 40 8.143 0.527 12.352 1.00 0.00 H new ATOM 0 HD3 ARG B 40 7.949 -0.936 11.407 1.00 0.00 H new ATOM 0 HE ARG B 40 8.301 -1.817 14.044 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.087 0.349 12.342 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.717 -0.043 13.387 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.531 -2.313 15.379 1.00 0.00 H new ATOM 0 HH22 ARG B 40 4.968 -1.541 15.096 1.00 0.00 H new ATOM 643 N PHE B 41 11.563 -4.076 9.800 1.00 0.00 N ATOM 644 CA PHE B 41 12.492 -5.150 9.461 1.00 0.00 C ATOM 645 C PHE B 41 13.935 -4.669 9.560 1.00 0.00 C ATOM 646 O PHE B 41 14.271 -3.586 9.086 1.00 0.00 O ATOM 647 CB PHE B 41 12.230 -5.669 8.046 1.00 0.00 C ATOM 648 CG PHE B 41 11.062 -6.606 7.934 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.762 -6.131 7.970 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.271 -7.968 7.792 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.692 -6.998 7.865 1.00 0.00 C ATOM 652 CE2 PHE B 41 10.204 -8.840 7.686 1.00 0.00 C ATOM 653 CZ PHE B 41 8.913 -8.354 7.723 1.00 0.00 C ATOM 0 H PHE B 41 11.652 -3.247 9.212 1.00 0.00 H new ATOM 0 HA PHE B 41 12.334 -5.959 10.174 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.062 -4.818 7.386 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.124 -6.179 7.688 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.583 -5.072 8.081 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.280 -8.353 7.764 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.682 -6.616 7.894 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.380 -9.900 7.574 1.00 0.00 H new ATOM 0 HZ PHE B 41 8.077 -9.033 7.641 1.00 0.00 H new ATOM 663 N LYS B 42 14.780 -5.479 10.174 1.00 0.00 N ATOM 664 CA LYS B 42 16.194 -5.158 10.305 1.00 0.00 C ATOM 665 C LYS B 42 17.044 -6.175 9.553 1.00 0.00 C ATOM 666 O LYS B 42 17.004 -7.369 9.853 1.00 0.00 O ATOM 667 CB LYS B 42 16.606 -5.130 11.782 1.00 0.00 C ATOM 668 CG LYS B 42 16.092 -3.925 12.558 1.00 0.00 C ATOM 669 CD LYS B 42 16.772 -2.639 12.110 1.00 0.00 C ATOM 670 CE LYS B 42 16.375 -1.454 12.980 1.00 0.00 C ATOM 671 NZ LYS B 42 14.914 -1.179 12.930 1.00 0.00 N ATOM 0 H LYS B 42 14.511 -6.369 10.593 1.00 0.00 H new ATOM 0 HA LYS B 42 16.358 -4.170 9.874 1.00 0.00 H new ATOM 0 HB2 LYS B 42 16.244 -6.038 12.264 1.00 0.00 H new ATOM 0 HB3 LYS B 42 17.694 -5.148 11.843 1.00 0.00 H new ATOM 0 HG2 LYS B 42 15.015 -3.835 12.420 1.00 0.00 H new ATOM 0 HG3 LYS B 42 16.265 -4.077 13.623 1.00 0.00 H new ATOM 0 HD2 LYS B 42 17.854 -2.769 12.145 1.00 0.00 H new ATOM 0 HD3 LYS B 42 16.509 -2.432 11.073 1.00 0.00 H new ATOM 0 HE2 LYS B 42 16.670 -1.648 14.011 1.00 0.00 H new ATOM 0 HE3 LYS B 42 16.920 -0.568 12.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 14.705 -0.315 13.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 14.619 -1.050 11.941 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 14.396 -1.980 13.345 1.00 0.00 H new ATOM 685 N GLY B 43 17.793 -5.699 8.565 1.00 0.00 N ATOM 686 CA GLY B 43 18.719 -6.559 7.851 1.00 0.00 C ATOM 687 C GLY B 43 18.064 -7.360 6.743 1.00 0.00 C ATOM 688 O GLY B 43 18.610 -8.367 6.292 1.00 0.00 O ATOM 0 H GLY B 43 17.776 -4.731 8.245 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.516 -5.949 7.426 1.00 0.00 H new ATOM 0 HA3 GLY B 43 19.185 -7.245 8.558 1.00 0.00 H new ATOM 692 N ALA B 44 16.903 -6.916 6.295 1.00 0.00 N ATOM 693 CA ALA B 44 16.190 -7.600 5.231 1.00 0.00 C ATOM 694 C ALA B 44 16.239 -6.786 3.949 1.00 0.00 C ATOM 695 O ALA B 44 16.713 -5.647 3.951 1.00 0.00 O ATOM 696 CB ALA B 44 14.751 -7.873 5.643 1.00 0.00 C ATOM 0 H ALA B 44 16.434 -6.084 6.652 1.00 0.00 H new ATOM 0 HA ALA B 44 16.679 -8.557 5.046 1.00 0.00 H new ATOM 0 HB1 ALA B 44 14.232 -8.386 4.833 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.741 -8.499 6.535 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.248 -6.930 5.856 1.00 0.00 H new ATOM 702 N ALA B 45 15.767 -7.368 2.855 1.00 0.00 N ATOM 703 CA ALA B 45 15.702 -6.662 1.580 1.00 0.00 C ATOM 704 C ALA B 45 14.784 -5.450 1.689 1.00 0.00 C ATOM 705 O ALA B 45 14.872 -4.508 0.903 1.00 0.00 O ATOM 706 CB ALA B 45 15.225 -7.599 0.485 1.00 0.00 C ATOM 0 H ALA B 45 15.423 -8.328 2.824 1.00 0.00 H new ATOM 0 HA ALA B 45 16.701 -6.311 1.323 1.00 0.00 H new ATOM 0 HB1 ALA B 45 15.181 -7.060 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.918 -8.435 0.394 1.00 0.00 H new ATOM 0 HB3 ALA B 45 14.233 -7.975 0.735 1.00 0.00 H new ATOM 712 N TYR B 46 13.922 -5.485 2.692 1.00 0.00 N ATOM 713 CA TYR B 46 13.007 -4.406 2.981 1.00 0.00 C ATOM 714 C TYR B 46 13.135 -4.044 4.451 1.00 0.00 C ATOM 715 O TYR B 46 13.331 -4.918 5.292 1.00 0.00 O ATOM 716 CB TYR B 46 11.569 -4.813 2.629 1.00 0.00 C ATOM 717 CG TYR B 46 11.313 -6.298 2.751 1.00 0.00 C ATOM 718 CD1 TYR B 46 11.257 -6.916 3.993 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.136 -7.084 1.617 1.00 0.00 C ATOM 720 CE1 TYR B 46 11.036 -8.273 4.105 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.911 -8.443 1.721 1.00 0.00 C ATOM 722 CZ TYR B 46 10.864 -9.032 2.968 1.00 0.00 C ATOM 723 OH TYR B 46 10.647 -10.387 3.079 1.00 0.00 O ATOM 0 H TYR B 46 13.841 -6.275 3.332 1.00 0.00 H new ATOM 0 HA TYR B 46 13.253 -3.534 2.375 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.879 -4.279 3.282 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.351 -4.498 1.609 1.00 0.00 H new ATOM 0 HD1 TYR B 46 11.389 -6.324 4.887 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.175 -6.625 0.640 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.998 -8.738 5.079 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.773 -9.041 0.832 1.00 0.00 H new ATOM 0 HH TYR B 46 11.058 -10.848 2.318 1.00 0.00 H new ATOM 733 N LYS B 47 13.063 -2.762 4.749 1.00 0.00 N ATOM 734 CA LYS B 47 13.251 -2.279 6.110 1.00 0.00 C ATOM 735 C LYS B 47 11.901 -2.056 6.762 1.00 0.00 C ATOM 736 O LYS B 47 11.781 -2.026 7.986 1.00 0.00 O ATOM 737 CB LYS B 47 14.052 -0.966 6.136 1.00 0.00 C ATOM 738 CG LYS B 47 15.507 -1.092 5.684 1.00 0.00 C ATOM 739 CD LYS B 47 15.629 -1.397 4.197 1.00 0.00 C ATOM 740 CE LYS B 47 15.111 -0.254 3.337 1.00 0.00 C ATOM 741 NZ LYS B 47 14.956 -0.664 1.920 1.00 0.00 N ATOM 0 H LYS B 47 12.875 -2.029 4.065 1.00 0.00 H new ATOM 0 HA LYS B 47 13.814 -3.033 6.660 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.550 -0.238 5.498 1.00 0.00 H new ATOM 0 HB3 LYS B 47 14.035 -0.567 7.150 1.00 0.00 H new ATOM 0 HG2 LYS B 47 16.035 -0.165 5.906 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.995 -1.882 6.255 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.673 -1.592 3.951 1.00 0.00 H new ATOM 0 HD3 LYS B 47 15.073 -2.305 3.966 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.151 0.088 3.725 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.799 0.590 3.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 14.783 0.176 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.824 -1.138 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.152 -1.318 1.834 1.00 0.00 H new ATOM 755 N LEU B 48 10.889 -1.894 5.931 1.00 0.00 N ATOM 756 CA LEU B 48 9.547 -1.655 6.414 1.00 0.00 C ATOM 757 C LEU B 48 8.538 -2.425 5.570 1.00 0.00 C ATOM 758 O LEU B 48 8.604 -2.415 4.340 1.00 0.00 O ATOM 759 CB LEU B 48 9.242 -0.152 6.369 1.00 0.00 C ATOM 760 CG LEU B 48 8.476 0.410 7.573 1.00 0.00 C ATOM 761 CD1 LEU B 48 7.135 -0.273 7.734 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.284 0.259 8.845 1.00 0.00 C ATOM 0 H LEU B 48 10.974 -1.924 4.915 1.00 0.00 H new ATOM 0 HA LEU B 48 9.471 -2.002 7.444 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.184 0.388 6.278 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.667 0.056 5.467 1.00 0.00 H new ATOM 0 HG LEU B 48 8.306 1.470 7.387 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.614 0.146 8.595 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.537 -0.116 6.837 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.287 -1.342 7.886 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.720 0.665 9.685 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.490 -0.797 9.022 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.225 0.800 8.745 1.00 0.00 H new ATOM 774 N ARG B 49 7.621 -3.110 6.236 1.00 0.00 N ATOM 775 CA ARG B 49 6.536 -3.798 5.554 1.00 0.00 C ATOM 776 C ARG B 49 5.210 -3.155 5.934 1.00 0.00 C ATOM 777 O ARG B 49 4.862 -3.087 7.113 1.00 0.00 O ATOM 778 CB ARG B 49 6.514 -5.281 5.925 1.00 0.00 C ATOM 779 CG ARG B 49 5.616 -6.117 5.027 1.00 0.00 C ATOM 780 CD ARG B 49 5.454 -7.535 5.552 1.00 0.00 C ATOM 781 NE ARG B 49 4.556 -7.593 6.704 1.00 0.00 N ATOM 782 CZ ARG B 49 3.975 -8.709 7.144 1.00 0.00 C ATOM 783 NH1 ARG B 49 4.254 -9.880 6.587 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.128 -8.653 8.161 1.00 0.00 N ATOM 0 H ARG B 49 7.607 -3.204 7.252 1.00 0.00 H new ATOM 0 HA ARG B 49 6.692 -3.715 4.478 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.529 -5.674 5.878 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.180 -5.384 6.957 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.637 -5.644 4.950 1.00 0.00 H new ATOM 0 HG3 ARG B 49 6.035 -6.148 4.021 1.00 0.00 H new ATOM 0 HD2 ARG B 49 5.067 -8.174 4.758 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.430 -7.931 5.833 1.00 0.00 H new ATOM 0 HE ARG B 49 4.362 -6.725 7.203 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.918 -9.932 5.815 1.00 0.00 H new ATOM 0 HH12 ARG B 49 3.804 -10.728 6.931 1.00 0.00 H new ATOM 0 HH21 ARG B 49 2.922 -7.758 8.605 1.00 0.00 H new ATOM 0 HH22 ARG B 49 2.682 -9.505 8.500 1.00 0.00 H new ATOM 798 N ILE B 50 4.483 -2.666 4.944 1.00 0.00 N ATOM 799 CA ILE B 50 3.202 -2.023 5.190 1.00 0.00 C ATOM 800 C ILE B 50 2.107 -2.804 4.479 1.00 0.00 C ATOM 801 O ILE B 50 2.218 -3.109 3.293 1.00 0.00 O ATOM 802 CB ILE B 50 3.159 -0.538 4.722 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.324 0.291 5.285 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.850 0.103 5.152 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.676 -0.010 4.681 1.00 0.00 C ATOM 0 H ILE B 50 4.757 -2.702 3.962 1.00 0.00 H new ATOM 0 HA ILE B 50 3.048 -2.021 6.269 1.00 0.00 H new ATOM 0 HB ILE B 50 3.246 -0.547 3.635 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.103 1.348 5.135 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.379 0.127 6.361 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.827 1.141 4.821 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.016 -0.438 4.706 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.767 0.066 6.238 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.431 0.626 5.144 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.927 -1.056 4.854 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.647 0.183 3.609 1.00 0.00 H new ATOM 817 N LEU B 51 1.069 -3.148 5.214 1.00 0.00 N ATOM 818 CA LEU B 51 -0.024 -3.936 4.678 1.00 0.00 C ATOM 819 C LEU B 51 -1.304 -3.125 4.664 1.00 0.00 C ATOM 820 O LEU B 51 -1.745 -2.641 5.700 1.00 0.00 O ATOM 821 CB LEU B 51 -0.220 -5.208 5.509 1.00 0.00 C ATOM 822 CG LEU B 51 0.422 -6.474 4.940 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.227 -6.836 3.620 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.921 -6.298 4.763 1.00 0.00 C ATOM 0 H LEU B 51 0.959 -2.891 6.195 1.00 0.00 H new ATOM 0 HA LEU B 51 0.224 -4.217 3.655 1.00 0.00 H new ATOM 0 HB2 LEU B 51 0.183 -5.035 6.507 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.289 -5.384 5.624 1.00 0.00 H new ATOM 0 HG LEU B 51 0.263 -7.286 5.650 1.00 0.00 H new ATOM 0 HD11 LEU B 51 0.237 -7.739 3.222 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.292 -7.012 3.774 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.094 -6.018 2.912 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.350 -7.214 4.357 1.00 0.00 H new ATOM 0 HD22 LEU B 51 2.112 -5.473 4.077 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.378 -6.080 5.728 1.00 0.00 H new ATOM 836 N ILE B 52 -1.881 -2.956 3.488 1.00 0.00 N ATOM 837 CA ILE B 52 -3.129 -2.223 3.356 1.00 0.00 C ATOM 838 C ILE B 52 -4.162 -3.082 2.644 1.00 0.00 C ATOM 839 O ILE B 52 -4.089 -3.274 1.433 1.00 0.00 O ATOM 840 CB ILE B 52 -2.959 -0.898 2.573 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.815 -0.054 3.144 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.255 -0.103 2.596 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.461 -0.387 2.557 1.00 0.00 C ATOM 0 H ILE B 52 -1.506 -3.316 2.610 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.460 -1.979 4.366 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.710 -1.150 1.542 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.029 1.000 2.966 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.777 -0.193 4.224 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.122 0.826 2.042 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.050 -0.689 2.135 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.524 0.125 3.627 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.298 0.251 3.009 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.224 -1.432 2.758 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.480 -0.220 1.480 1.00 0.00 H new ATOM 855 N GLU B 53 -5.109 -3.617 3.390 1.00 0.00 N ATOM 856 CA GLU B 53 -6.133 -4.459 2.796 1.00 0.00 C ATOM 857 C GLU B 53 -7.463 -3.729 2.747 1.00 0.00 C ATOM 858 O GLU B 53 -7.724 -2.832 3.550 1.00 0.00 O ATOM 859 CB GLU B 53 -6.280 -5.772 3.567 1.00 0.00 C ATOM 860 CG GLU B 53 -6.909 -5.614 4.938 1.00 0.00 C ATOM 861 CD GLU B 53 -6.883 -6.898 5.740 1.00 0.00 C ATOM 862 OE1 GLU B 53 -7.733 -7.776 5.496 1.00 0.00 O ATOM 863 OE2 GLU B 53 -6.005 -7.042 6.612 1.00 0.00 O ATOM 0 H GLU B 53 -5.192 -3.487 4.398 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.824 -4.693 1.777 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.885 -6.462 2.978 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.296 -6.227 3.680 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.382 -4.835 5.488 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.941 -5.281 4.825 1.00 0.00 H new ATOM 870 N ASN B 54 -8.290 -4.113 1.796 1.00 0.00 N ATOM 871 CA ASN B 54 -9.605 -3.516 1.632 1.00 0.00 C ATOM 872 C ASN B 54 -10.643 -4.409 2.291 1.00 0.00 C ATOM 873 O ASN B 54 -10.953 -5.490 1.788 1.00 0.00 O ATOM 874 CB ASN B 54 -9.937 -3.352 0.146 1.00 0.00 C ATOM 875 CG ASN B 54 -10.929 -2.230 -0.143 1.00 0.00 C ATOM 876 OD1 ASN B 54 -11.784 -1.897 0.814 1.00 0.00 O flip ATOM 877 ND2 ASN B 54 -10.917 -1.652 -1.229 1.00 0.00 N flip ATOM 0 H ASN B 54 -8.074 -4.843 1.117 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.610 -2.532 2.100 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.015 -3.160 -0.404 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.344 -4.290 -0.232 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -10.248 -1.929 -1.947 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -11.576 -0.895 -1.411 1.00 0.00 H new ATOM 884 N LYS B 55 -11.163 -3.965 3.419 1.00 0.00 N ATOM 885 CA LYS B 55 -12.143 -4.735 4.162 1.00 0.00 C ATOM 886 C LYS B 55 -13.347 -3.869 4.505 1.00 0.00 C ATOM 887 O LYS B 55 -13.363 -3.162 5.510 1.00 0.00 O ATOM 888 CB LYS B 55 -11.506 -5.313 5.430 1.00 0.00 C ATOM 889 CG LYS B 55 -10.623 -4.326 6.178 1.00 0.00 C ATOM 890 CD LYS B 55 -10.001 -4.949 7.416 1.00 0.00 C ATOM 891 CE LYS B 55 -11.045 -5.271 8.471 1.00 0.00 C ATOM 892 NZ LYS B 55 -10.421 -5.699 9.748 1.00 0.00 N ATOM 0 H LYS B 55 -10.922 -3.069 3.843 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.487 -5.563 3.542 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.296 -5.658 6.097 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -10.912 -6.186 5.161 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.834 -3.970 5.515 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.214 -3.457 6.467 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.473 -5.861 7.138 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.261 -4.266 7.834 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.668 -4.394 8.646 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -11.702 -6.060 8.104 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -11.160 -6.023 10.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -9.755 -6.476 9.565 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -9.910 -4.898 10.171 1.00 0.00 H new ATOM 906 N ALA B 56 -14.348 -3.929 3.650 1.00 0.00 N ATOM 907 CA ALA B 56 -15.564 -3.155 3.825 1.00 0.00 C ATOM 908 C ALA B 56 -16.771 -4.026 3.507 1.00 0.00 C ATOM 909 O ALA B 56 -16.596 -5.107 2.944 1.00 0.00 O ATOM 910 CB ALA B 56 -15.525 -1.933 2.919 1.00 0.00 C ATOM 0 H ALA B 56 -14.343 -4.514 2.815 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.642 -2.817 4.858 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.438 -1.353 3.051 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.663 -1.317 3.176 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.446 -2.253 1.880 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.525 1.446 -8.926 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.499 1.667 -7.928 1.00 0.00 C ATOM 1029 C PHE B 64 -3.330 2.393 -8.560 1.00 0.00 C ATOM 1030 O PHE B 64 -2.626 1.842 -9.405 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.036 0.347 -7.308 1.00 0.00 C ATOM 1032 CG PHE B 64 -4.991 -0.204 -6.289 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -4.883 0.169 -4.962 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -5.992 -1.088 -6.655 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.755 -0.329 -4.014 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -6.869 -1.590 -5.713 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.750 -1.210 -4.390 1.00 0.00 C ATOM 0 HA PHE B 64 -4.917 2.278 -7.128 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -3.898 -0.389 -8.100 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.063 0.496 -6.839 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -4.107 0.858 -4.663 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -6.088 -1.388 -7.688 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.659 -0.030 -2.981 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -7.646 -2.278 -6.010 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.434 -1.601 -3.651 1.00 0.00 H new ATOM 1047 N SER B 65 -3.138 3.638 -8.169 1.00 0.00 N ATOM 1048 CA SER B 65 -2.058 4.437 -8.712 1.00 0.00 C ATOM 1049 C SER B 65 -1.269 5.075 -7.578 1.00 0.00 C ATOM 1050 O SER B 65 -1.459 6.248 -7.250 1.00 0.00 O ATOM 1051 CB SER B 65 -2.617 5.510 -9.649 1.00 0.00 C ATOM 1052 OG SER B 65 -3.475 4.937 -10.623 1.00 0.00 O ATOM 0 H SER B 65 -3.715 4.117 -7.478 1.00 0.00 H new ATOM 0 HA SER B 65 -1.390 3.795 -9.285 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.164 6.254 -9.070 1.00 0.00 H new ATOM 0 HB3 SER B 65 -1.796 6.030 -10.143 1.00 0.00 H new ATOM 0 HG SER B 65 -3.821 5.642 -11.209 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.376 4.296 -6.960 1.00 0.00 N ATOM 1059 CA PRO B 66 0.468 4.778 -5.879 1.00 0.00 C ATOM 1060 C PRO B 66 1.656 5.570 -6.401 1.00 0.00 C ATOM 1061 O PRO B 66 2.142 5.335 -7.509 1.00 0.00 O ATOM 1062 CB PRO B 66 0.927 3.496 -5.194 1.00 0.00 C ATOM 1063 CG PRO B 66 0.906 2.458 -6.262 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.137 2.875 -7.261 1.00 0.00 C ATOM 0 HA PRO B 66 -0.058 5.460 -5.211 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.926 3.609 -4.774 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.264 3.229 -4.371 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.883 2.374 -6.737 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.670 1.479 -5.844 1.00 0.00 H new ATOM 0 HD2 PRO B 66 0.214 2.738 -8.284 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.048 2.286 -7.155 1.00 0.00 H new ATOM 1072 N SER B 67 2.117 6.516 -5.610 1.00 0.00 N ATOM 1073 CA SER B 67 3.222 7.369 -6.012 1.00 0.00 C ATOM 1074 C SER B 67 3.961 7.896 -4.789 1.00 0.00 C ATOM 1075 O SER B 67 3.348 8.204 -3.764 1.00 0.00 O ATOM 1076 CB SER B 67 2.721 8.538 -6.867 1.00 0.00 C ATOM 1077 OG SER B 67 1.887 8.090 -7.924 1.00 0.00 O ATOM 0 H SER B 67 1.744 6.716 -4.682 1.00 0.00 H new ATOM 0 HA SER B 67 3.911 6.772 -6.609 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.170 9.239 -6.240 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.572 9.080 -7.279 1.00 0.00 H new ATOM 0 HG SER B 67 1.583 8.859 -8.449 1.00 0.00 H new ATOM 1083 N TYR B 68 5.275 7.987 -4.903 1.00 0.00 N ATOM 1084 CA TYR B 68 6.112 8.450 -3.813 1.00 0.00 C ATOM 1085 C TYR B 68 6.580 9.871 -4.069 1.00 0.00 C ATOM 1086 O TYR B 68 7.271 10.147 -5.052 1.00 0.00 O ATOM 1087 CB TYR B 68 7.323 7.531 -3.628 1.00 0.00 C ATOM 1088 CG TYR B 68 8.347 8.072 -2.656 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.076 8.147 -1.295 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.578 8.528 -3.105 1.00 0.00 C ATOM 1091 CE1 TYR B 68 9.007 8.659 -0.410 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.509 9.046 -2.226 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.221 9.109 -0.883 1.00 0.00 C ATOM 1094 OH TYR B 68 11.148 9.637 -0.010 1.00 0.00 O ATOM 0 H TYR B 68 5.788 7.743 -5.750 1.00 0.00 H new ATOM 0 HA TYR B 68 5.516 8.431 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR B 68 6.980 6.557 -3.278 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.800 7.372 -4.595 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.123 7.800 -0.923 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.812 8.477 -4.158 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.784 8.706 0.646 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.461 9.401 -2.593 1.00 0.00 H new ATOM 0 HH TYR B 68 11.949 9.905 -0.506 1.00 0.00 H new ATOM 1104 N ASN B 69 6.199 10.769 -3.188 1.00 0.00 N ATOM 1105 CA ASN B 69 6.631 12.151 -3.285 1.00 0.00 C ATOM 1106 C ASN B 69 7.785 12.424 -2.329 1.00 0.00 C ATOM 1107 O ASN B 69 7.626 12.363 -1.111 1.00 0.00 O ATOM 1108 CB ASN B 69 5.465 13.111 -3.027 1.00 0.00 C ATOM 1109 CG ASN B 69 4.546 12.658 -1.912 1.00 0.00 C ATOM 1110 OD1 ASN B 69 4.861 13.057 -0.700 1.00 0.00 O flip ATOM 1111 ND2 ASN B 69 3.556 11.965 -2.144 1.00 0.00 N flip ATOM 0 H ASN B 69 5.590 10.570 -2.394 1.00 0.00 H new ATOM 0 HA ASN B 69 6.986 12.324 -4.301 1.00 0.00 H new ATOM 0 HB2 ASN B 69 5.863 14.096 -2.782 1.00 0.00 H new ATOM 0 HB3 ASN B 69 4.885 13.220 -3.943 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.348 11.677 -3.100 1.00 0.00 H new ATOM 0 HD22 ASN B 69 2.944 11.679 -1.380 1.00 0.00 H new ATOM 1118 N PHE B 70 8.947 12.739 -2.901 1.00 0.00 N ATOM 1119 CA PHE B 70 10.166 12.985 -2.130 1.00 0.00 C ATOM 1120 C PHE B 70 10.000 14.211 -1.249 1.00 0.00 C ATOM 1121 O PHE B 70 10.619 14.319 -0.190 1.00 0.00 O ATOM 1122 CB PHE B 70 11.365 13.201 -3.062 1.00 0.00 C ATOM 1123 CG PHE B 70 11.749 11.998 -3.879 1.00 0.00 C ATOM 1124 CD1 PHE B 70 11.063 11.682 -5.039 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.809 11.194 -3.492 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.425 10.586 -5.797 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.173 10.094 -4.245 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.480 9.790 -5.399 1.00 0.00 C ATOM 0 H PHE B 70 9.070 12.831 -3.909 1.00 0.00 H new ATOM 0 HA PHE B 70 10.347 12.109 -1.507 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.139 14.026 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.223 13.506 -2.463 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.235 12.300 -5.355 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.357 11.430 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.883 10.352 -6.701 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.999 9.473 -3.931 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.763 8.931 -5.989 1.00 0.00 H new ATOM 1138 N ALA B 71 9.153 15.126 -1.703 1.00 0.00 N ATOM 1139 CA ALA B 71 8.888 16.370 -0.995 1.00 0.00 C ATOM 1140 C ALA B 71 8.472 16.111 0.448 1.00 0.00 C ATOM 1141 O ALA B 71 8.988 16.737 1.375 1.00 0.00 O ATOM 1142 CB ALA B 71 7.808 17.153 -1.722 1.00 0.00 C ATOM 0 H ALA B 71 8.630 15.026 -2.573 1.00 0.00 H new ATOM 0 HA ALA B 71 9.808 16.954 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.612 18.084 -1.189 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.141 17.378 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA B 71 6.894 16.560 -1.764 1.00 0.00 H new ATOM 1148 N GLU B 72 7.556 15.170 0.632 1.00 0.00 N ATOM 1149 CA GLU B 72 7.029 14.870 1.955 1.00 0.00 C ATOM 1150 C GLU B 72 7.468 13.481 2.404 1.00 0.00 C ATOM 1151 O GLU B 72 7.082 13.023 3.473 1.00 0.00 O ATOM 1152 CB GLU B 72 5.501 14.930 1.946 1.00 0.00 C ATOM 1153 CG GLU B 72 4.930 15.963 0.986 1.00 0.00 C ATOM 1154 CD GLU B 72 3.413 15.974 0.966 1.00 0.00 C ATOM 1155 OE1 GLU B 72 2.815 15.120 0.278 1.00 0.00 O ATOM 1156 OE2 GLU B 72 2.810 16.841 1.633 1.00 0.00 O ATOM 0 H GLU B 72 7.163 14.602 -0.118 1.00 0.00 H new ATOM 0 HA GLU B 72 7.419 15.615 2.649 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.110 13.947 1.681 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.150 15.152 2.954 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.292 16.952 1.267 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.300 15.762 -0.019 1.00 0.00 H new ATOM 1163 N ASN B 73 8.274 12.833 1.552 1.00 0.00 N ATOM 1164 CA ASN B 73 8.742 11.445 1.739 1.00 0.00 C ATOM 1165 C ASN B 73 7.590 10.498 2.090 1.00 0.00 C ATOM 1166 O ASN B 73 7.699 9.648 2.980 1.00 0.00 O ATOM 1167 CB ASN B 73 9.894 11.329 2.766 1.00 0.00 C ATOM 1168 CG ASN B 73 9.575 11.897 4.137 1.00 0.00 C ATOM 1169 OD1 ASN B 73 9.912 13.042 4.443 1.00 0.00 O ATOM 1170 ND2 ASN B 73 8.920 11.110 4.970 1.00 0.00 N ATOM 0 H ASN B 73 8.628 13.263 0.697 1.00 0.00 H new ATOM 0 HA ASN B 73 9.150 11.135 0.777 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.162 10.278 2.875 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.770 11.842 2.369 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.676 11.444 5.902 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.658 10.168 4.681 1.00 0.00 H new ATOM 1177 N ILE B 74 6.494 10.629 1.354 1.00 0.00 N ATOM 1178 CA ILE B 74 5.307 9.828 1.603 1.00 0.00 C ATOM 1179 C ILE B 74 4.885 9.064 0.350 1.00 0.00 C ATOM 1180 O ILE B 74 4.929 9.596 -0.761 1.00 0.00 O ATOM 1181 CB ILE B 74 4.156 10.728 2.097 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.533 11.340 3.446 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.852 9.948 2.204 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.723 12.556 3.814 1.00 0.00 C ATOM 0 H ILE B 74 6.404 11.285 0.578 1.00 0.00 H new ATOM 0 HA ILE B 74 5.544 9.097 2.376 1.00 0.00 H new ATOM 0 HB ILE B 74 3.999 11.526 1.371 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.410 10.585 4.223 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.589 11.611 3.428 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.060 10.610 2.555 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.585 9.549 1.225 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.977 9.126 2.909 1.00 0.00 H new ATOM 0 HD11 ILE B 74 4.050 12.931 4.784 1.00 0.00 H new ATOM 0 HD12 ILE B 74 3.864 13.329 3.059 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.668 12.288 3.866 1.00 0.00 H new ATOM 1196 N LEU B 75 4.506 7.809 0.543 1.00 0.00 N ATOM 1197 CA LEU B 75 4.021 6.962 -0.534 1.00 0.00 C ATOM 1198 C LEU B 75 2.502 6.868 -0.441 1.00 0.00 C ATOM 1199 O LEU B 75 1.966 6.185 0.428 1.00 0.00 O ATOM 1200 CB LEU B 75 4.681 5.569 -0.425 1.00 0.00 C ATOM 1201 CG LEU B 75 4.354 4.539 -1.524 1.00 0.00 C ATOM 1202 CD1 LEU B 75 3.026 3.845 -1.266 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.348 5.192 -2.893 1.00 0.00 C ATOM 0 H LEU B 75 4.527 7.349 1.453 1.00 0.00 H new ATOM 0 HA LEU B 75 4.283 7.385 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.762 5.709 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.399 5.137 0.535 1.00 0.00 H new ATOM 0 HG LEU B 75 5.138 3.782 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.830 3.126 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU B 75 3.067 3.324 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.227 4.586 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.115 4.445 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.596 5.980 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.329 5.621 -3.096 1.00 0.00 H new ATOM 1215 N TYR B 76 1.802 7.573 -1.311 1.00 0.00 N ATOM 1216 CA TYR B 76 0.352 7.548 -1.273 1.00 0.00 C ATOM 1217 C TYR B 76 -0.171 6.475 -2.217 1.00 0.00 C ATOM 1218 O TYR B 76 0.391 6.252 -3.289 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.239 8.932 -1.601 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.488 9.217 -3.067 1.00 0.00 C ATOM 1221 CD1 TYR B 76 -1.688 8.850 -3.665 1.00 0.00 C ATOM 1222 CD2 TYR B 76 0.455 9.876 -3.845 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -1.938 9.122 -4.993 1.00 0.00 C ATOM 1224 CE2 TYR B 76 0.209 10.158 -5.176 1.00 0.00 C ATOM 1225 CZ TYR B 76 -0.989 9.777 -5.745 1.00 0.00 C ATOM 1226 OH TYR B 76 -1.240 10.058 -7.069 1.00 0.00 O ATOM 0 H TYR B 76 2.206 8.160 -2.041 1.00 0.00 H new ATOM 0 HA TYR B 76 0.032 7.300 -0.261 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -1.182 9.038 -1.065 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.436 9.695 -1.213 1.00 0.00 H new ATOM 0 HD1 TYR B 76 -2.439 8.342 -3.078 1.00 0.00 H new ATOM 0 HD2 TYR B 76 1.395 10.173 -3.404 1.00 0.00 H new ATOM 0 HE1 TYR B 76 -2.874 8.823 -5.441 1.00 0.00 H new ATOM 0 HE2 TYR B 76 0.951 10.674 -5.767 1.00 0.00 H new ATOM 0 HH TYR B 76 -0.470 10.524 -7.456 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.232 5.799 -1.793 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.811 4.706 -2.566 1.00 0.00 C ATOM 1238 C ILE B 77 -2.846 5.239 -3.544 1.00 0.00 C ATOM 1239 O ILE B 77 -2.780 4.988 -4.742 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.476 3.663 -1.639 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.439 3.031 -0.701 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.195 2.594 -2.450 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.307 2.326 -1.420 1.00 0.00 C ATOM 0 H ILE B 77 -1.711 5.990 -0.913 1.00 0.00 H new ATOM 0 HA ILE B 77 -1.003 4.225 -3.117 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.218 4.178 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -1.021 3.808 -0.061 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.942 2.317 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.654 1.872 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -3.967 3.060 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.479 2.083 -3.094 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.383 1.906 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.712 1.525 -2.038 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.223 3.039 -2.051 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.796 5.979 -3.005 1.00 0.00 N ATOM 1256 CA ASN B 78 -4.853 6.601 -3.786 1.00 0.00 C ATOM 1257 C ASN B 78 -5.326 7.833 -3.044 1.00 0.00 C ATOM 1258 O ASN B 78 -4.867 8.097 -1.929 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.035 5.642 -4.003 1.00 0.00 C ATOM 1260 CG ASN B 78 -5.878 4.751 -5.228 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -5.229 5.121 -6.207 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.490 3.577 -5.187 1.00 0.00 N ATOM 0 H ASN B 78 -3.858 6.168 -2.005 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.460 6.865 -4.768 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -6.150 5.014 -3.119 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -6.951 6.224 -4.102 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -6.433 2.944 -5.985 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -7.018 3.306 -4.358 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.250 8.573 -3.634 1.00 0.00 N ATOM 1270 CA GLY B 79 -6.758 9.773 -2.996 1.00 0.00 C ATOM 1271 C GLY B 79 -7.752 9.469 -1.894 1.00 0.00 C ATOM 1272 O GLY B 79 -8.767 10.153 -1.755 1.00 0.00 O ATOM 0 H GLY B 79 -6.660 8.366 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -5.925 10.341 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.234 10.405 -3.746 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.461 8.440 -1.112 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.291 8.040 -0.023 1.00 0.00 C ATOM 1278 C LYS B 80 -7.396 7.860 1.210 1.00 0.00 C ATOM 1279 O LYS B 80 -7.785 8.205 2.327 1.00 0.00 O ATOM 1280 CB LYS B 80 -9.057 6.768 -0.461 1.00 0.00 C ATOM 1281 CG LYS B 80 -8.898 5.542 0.416 1.00 0.00 C ATOM 1282 CD LYS B 80 -9.412 5.775 1.818 1.00 0.00 C ATOM 1283 CE LYS B 80 -10.933 5.904 1.882 1.00 0.00 C ATOM 1284 NZ LYS B 80 -11.404 7.296 1.624 1.00 0.00 N ATOM 0 H LYS B 80 -6.628 7.863 -1.231 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.044 8.780 0.250 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -10.118 7.012 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -8.737 6.508 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -9.434 4.705 -0.032 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -7.846 5.261 0.458 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -9.096 4.950 2.457 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -8.959 6.681 2.219 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -11.382 5.232 1.151 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -11.280 5.584 2.864 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -12.027 7.601 2.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -10.585 7.934 1.566 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -11.929 7.324 0.727 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.183 7.355 0.989 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.195 7.224 2.056 1.00 0.00 C ATOM 1300 C LEU B 81 -3.768 7.232 1.509 1.00 0.00 C ATOM 1301 O LEU B 81 -3.520 6.885 0.347 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.422 5.974 2.927 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.880 4.684 2.227 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -5.104 4.413 0.948 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -5.726 3.515 3.181 1.00 0.00 C ATOM 0 H LEU B 81 -5.861 7.029 0.077 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.329 8.098 2.694 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.491 5.758 3.451 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.164 6.225 3.685 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.926 4.810 1.948 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -5.465 3.491 0.492 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -5.246 5.241 0.254 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -4.044 4.312 1.180 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.050 2.598 2.688 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -4.680 3.420 3.474 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.337 3.686 4.067 1.00 0.00 H new ATOM 1317 N SER B 82 -2.842 7.658 2.346 1.00 0.00 N ATOM 1318 CA SER B 82 -1.438 7.686 1.992 1.00 0.00 C ATOM 1319 C SER B 82 -0.604 7.028 3.086 1.00 0.00 C ATOM 1320 O SER B 82 -0.974 7.060 4.260 1.00 0.00 O ATOM 1321 CB SER B 82 -0.994 9.131 1.763 1.00 0.00 C ATOM 1322 OG SER B 82 -1.379 9.963 2.846 1.00 0.00 O ATOM 0 H SER B 82 -3.042 7.994 3.288 1.00 0.00 H new ATOM 0 HA SER B 82 -1.288 7.125 1.070 1.00 0.00 H new ATOM 0 HB2 SER B 82 0.088 9.167 1.640 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.432 9.507 0.838 1.00 0.00 H new ATOM 0 HG SER B 82 -1.082 10.881 2.675 1.00 0.00 H new ATOM 1328 N ILE B 83 0.504 6.416 2.699 1.00 0.00 N ATOM 1329 CA ILE B 83 1.385 5.760 3.650 1.00 0.00 C ATOM 1330 C ILE B 83 2.668 6.568 3.823 1.00 0.00 C ATOM 1331 O ILE B 83 3.547 6.550 2.959 1.00 0.00 O ATOM 1332 CB ILE B 83 1.735 4.324 3.197 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.461 3.488 3.010 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.671 3.657 4.198 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.391 3.371 4.259 1.00 0.00 C ATOM 0 H ILE B 83 0.815 6.360 1.729 1.00 0.00 H new ATOM 0 HA ILE B 83 0.859 5.701 4.603 1.00 0.00 H new ATOM 0 HB ILE B 83 2.248 4.386 2.237 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.138 3.931 2.215 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.741 2.488 2.679 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.905 2.647 3.860 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.591 4.236 4.277 1.00 0.00 H new ATOM 0 HG23 ILE B 83 2.187 3.610 5.174 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.271 2.766 4.043 1.00 0.00 H new ATOM 0 HD12 ILE B 83 0.189 2.899 5.052 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.704 4.364 4.580 1.00 0.00 H new ATOM 1347 N PRO B 84 2.779 7.314 4.928 1.00 0.00 N ATOM 1348 CA PRO B 84 3.966 8.109 5.212 1.00 0.00 C ATOM 1349 C PRO B 84 5.127 7.253 5.690 1.00 0.00 C ATOM 1350 O PRO B 84 4.957 6.360 6.525 1.00 0.00 O ATOM 1351 CB PRO B 84 3.506 9.057 6.315 1.00 0.00 C ATOM 1352 CG PRO B 84 2.410 8.328 7.014 1.00 0.00 C ATOM 1353 CD PRO B 84 1.757 7.444 5.984 1.00 0.00 C ATOM 0 HA PRO B 84 4.337 8.622 4.325 1.00 0.00 H new ATOM 0 HB2 PRO B 84 4.322 9.294 6.998 1.00 0.00 H new ATOM 0 HB3 PRO B 84 3.152 10.002 5.902 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.804 7.735 7.840 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.689 9.027 7.438 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.489 6.474 6.402 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.840 7.889 5.599 1.00 0.00 H new ATOM 1361 N LEU B 85 6.302 7.518 5.150 1.00 0.00 N ATOM 1362 CA LEU B 85 7.490 6.787 5.544 1.00 0.00 C ATOM 1363 C LEU B 85 8.260 7.588 6.576 1.00 0.00 C ATOM 1364 O LEU B 85 8.329 8.814 6.488 1.00 0.00 O ATOM 1365 CB LEU B 85 8.390 6.488 4.335 1.00 0.00 C ATOM 1366 CG LEU B 85 7.804 5.536 3.283 1.00 0.00 C ATOM 1367 CD1 LEU B 85 7.130 4.343 3.943 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.837 6.266 2.365 1.00 0.00 C ATOM 0 H LEU B 85 6.458 8.232 4.439 1.00 0.00 H new ATOM 0 HA LEU B 85 7.179 5.835 5.974 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.635 7.431 3.847 1.00 0.00 H new ATOM 0 HB3 LEU B 85 9.326 6.065 4.699 1.00 0.00 H new ATOM 0 HG LEU B 85 8.628 5.163 2.674 1.00 0.00 H new ATOM 0 HD11 LEU B 85 6.723 3.684 3.176 1.00 0.00 H new ATOM 0 HD12 LEU B 85 7.860 3.797 4.540 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.323 4.692 4.587 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.437 5.568 1.629 1.00 0.00 H new ATOM 0 HD22 LEU B 85 6.019 6.681 2.954 1.00 0.00 H new ATOM 0 HD23 LEU B 85 7.361 7.073 1.852 1.00 0.00 H new ATOM 1380 N PRO B 86 8.825 6.915 7.584 1.00 0.00 N ATOM 1381 CA PRO B 86 9.637 7.577 8.593 1.00 0.00 C ATOM 1382 C PRO B 86 10.895 8.160 7.974 1.00 0.00 C ATOM 1383 O PRO B 86 11.532 7.530 7.128 1.00 0.00 O ATOM 1384 CB PRO B 86 9.983 6.465 9.589 1.00 0.00 C ATOM 1385 CG PRO B 86 9.798 5.197 8.833 1.00 0.00 C ATOM 1386 CD PRO B 86 8.724 5.464 7.814 1.00 0.00 C ATOM 0 HA PRO B 86 9.118 8.411 9.065 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.007 6.563 9.950 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.332 6.502 10.463 1.00 0.00 H new ATOM 0 HG2 PRO B 86 10.726 4.894 8.349 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.507 4.386 9.500 1.00 0.00 H new ATOM 0 HD2 PRO B 86 8.891 4.899 6.897 1.00 0.00 H new ATOM 0 HD3 PRO B 86 7.739 5.184 8.186 1.00 0.00 H new ATOM 1394 N ARG B 87 11.260 9.351 8.414 1.00 0.00 N ATOM 1395 CA ARG B 87 12.385 10.077 7.833 1.00 0.00 C ATOM 1396 C ARG B 87 13.707 9.412 8.202 1.00 0.00 C ATOM 1397 O ARG B 87 14.777 9.860 7.792 1.00 0.00 O ATOM 1398 CB ARG B 87 12.391 11.541 8.290 1.00 0.00 C ATOM 1399 CG ARG B 87 11.341 12.416 7.615 1.00 0.00 C ATOM 1400 CD ARG B 87 9.927 12.085 8.071 1.00 0.00 C ATOM 1401 NE ARG B 87 8.927 12.909 7.388 1.00 0.00 N ATOM 1402 CZ ARG B 87 7.620 12.877 7.655 1.00 0.00 C ATOM 1403 NH1 ARG B 87 7.146 12.059 8.586 1.00 0.00 N ATOM 1404 NH2 ARG B 87 6.788 13.659 6.981 1.00 0.00 N ATOM 0 H ARG B 87 10.793 9.842 9.176 1.00 0.00 H new ATOM 0 HA ARG B 87 12.270 10.053 6.749 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.234 11.573 9.368 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.377 11.965 8.099 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.553 13.463 7.830 1.00 0.00 H new ATOM 0 HG3 ARG B 87 11.409 12.292 6.534 1.00 0.00 H new ATOM 0 HD2 ARG B 87 9.721 11.032 7.881 1.00 0.00 H new ATOM 0 HD3 ARG B 87 9.848 12.236 9.148 1.00 0.00 H new ATOM 0 HE ARG B 87 9.250 13.548 6.662 1.00 0.00 H new ATOM 0 HH11 ARG B 87 7.782 11.450 9.102 1.00 0.00 H new ATOM 0 HH12 ARG B 87 6.146 12.039 8.786 1.00 0.00 H new ATOM 0 HH21 ARG B 87 7.147 14.284 6.259 1.00 0.00 H new ATOM 0 HH22 ARG B 87 5.789 13.636 7.184 1.00 0.00 H new ATOM 1418 N ASP B 88 13.617 8.340 8.976 1.00 0.00 N ATOM 1419 CA ASP B 88 14.782 7.571 9.383 1.00 0.00 C ATOM 1420 C ASP B 88 15.214 6.651 8.246 1.00 0.00 C ATOM 1421 O ASP B 88 16.344 6.158 8.209 1.00 0.00 O ATOM 1422 CB ASP B 88 14.441 6.761 10.640 1.00 0.00 C ATOM 1423 CG ASP B 88 15.567 5.859 11.101 1.00 0.00 C ATOM 1424 OD1 ASP B 88 16.557 6.368 11.663 1.00 0.00 O ATOM 1425 OD2 ASP B 88 15.457 4.631 10.922 1.00 0.00 O ATOM 0 H ASP B 88 12.734 7.980 9.339 1.00 0.00 H new ATOM 0 HA ASP B 88 15.608 8.244 9.613 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.183 7.448 11.446 1.00 0.00 H new ATOM 0 HB3 ASP B 88 13.557 6.154 10.443 1.00 0.00 H new ATOM 1430 N ILE B 89 14.309 6.457 7.300 1.00 0.00 N ATOM 1431 CA ILE B 89 14.545 5.572 6.176 1.00 0.00 C ATOM 1432 C ILE B 89 14.698 6.371 4.888 1.00 0.00 C ATOM 1433 O ILE B 89 13.964 7.330 4.652 1.00 0.00 O ATOM 1434 CB ILE B 89 13.382 4.572 6.012 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.166 3.799 7.312 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.649 3.612 4.859 1.00 0.00 C ATOM 1437 CD1 ILE B 89 11.998 2.843 7.254 1.00 0.00 C ATOM 0 H ILE B 89 13.394 6.908 7.291 1.00 0.00 H new ATOM 0 HA ILE B 89 15.466 5.023 6.375 1.00 0.00 H new ATOM 0 HB ILE B 89 12.476 5.133 5.781 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.072 3.241 7.549 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.006 4.507 8.125 1.00 0.00 H new ATOM 0 HG21 ILE B 89 12.815 2.917 4.764 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.758 4.177 3.933 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.565 3.055 5.054 1.00 0.00 H new ATOM 0 HD11 ILE B 89 11.902 2.328 8.210 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.083 3.398 7.048 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.165 2.112 6.463 1.00 0.00 H new ATOM 1449 N VAL B 90 15.670 5.992 4.077 1.00 0.00 N ATOM 1450 CA VAL B 90 15.812 6.561 2.749 1.00 0.00 C ATOM 1451 C VAL B 90 15.061 5.692 1.749 1.00 0.00 C ATOM 1452 O VAL B 90 15.420 4.540 1.507 1.00 0.00 O ATOM 1453 CB VAL B 90 17.296 6.723 2.326 1.00 0.00 C ATOM 1454 CG1 VAL B 90 18.070 5.423 2.490 1.00 0.00 C ATOM 1455 CG2 VAL B 90 17.392 7.224 0.891 1.00 0.00 C ATOM 0 H VAL B 90 16.373 5.292 4.315 1.00 0.00 H new ATOM 0 HA VAL B 90 15.385 7.564 2.766 1.00 0.00 H new ATOM 0 HB VAL B 90 17.748 7.463 2.986 1.00 0.00 H new ATOM 0 HG11 VAL B 90 19.105 5.575 2.184 1.00 0.00 H new ATOM 0 HG12 VAL B 90 18.042 5.112 3.534 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.618 4.650 1.869 1.00 0.00 H new ATOM 0 HG21 VAL B 90 18.440 7.331 0.612 1.00 0.00 H new ATOM 0 HG22 VAL B 90 16.910 6.510 0.223 1.00 0.00 H new ATOM 0 HG23 VAL B 90 16.894 8.190 0.809 1.00 0.00 H new ATOM 1465 N VAL B 91 13.996 6.234 1.194 1.00 0.00 N ATOM 1466 CA VAL B 91 13.131 5.466 0.322 1.00 0.00 C ATOM 1467 C VAL B 91 13.038 6.100 -1.060 1.00 0.00 C ATOM 1468 O VAL B 91 12.987 7.321 -1.201 1.00 0.00 O ATOM 1469 CB VAL B 91 11.726 5.295 0.957 1.00 0.00 C ATOM 1470 CG1 VAL B 91 11.182 6.618 1.461 1.00 0.00 C ATOM 1471 CG2 VAL B 91 10.754 4.663 -0.020 1.00 0.00 C ATOM 0 H VAL B 91 13.709 7.203 1.331 1.00 0.00 H new ATOM 0 HA VAL B 91 13.569 4.475 0.199 1.00 0.00 H new ATOM 0 HB VAL B 91 11.837 4.626 1.810 1.00 0.00 H new ATOM 0 HG11 VAL B 91 10.196 6.463 1.900 1.00 0.00 H new ATOM 0 HG12 VAL B 91 11.855 7.024 2.216 1.00 0.00 H new ATOM 0 HG13 VAL B 91 11.103 7.319 0.630 1.00 0.00 H new ATOM 0 HG21 VAL B 91 9.779 4.557 0.455 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.661 5.297 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL B 91 11.123 3.681 -0.316 1.00 0.00 H new ATOM 1481 N ASN B 92 13.056 5.249 -2.072 1.00 0.00 N ATOM 1482 CA ASN B 92 12.998 5.677 -3.461 1.00 0.00 C ATOM 1483 C ASN B 92 12.119 4.734 -4.258 1.00 0.00 C ATOM 1484 O ASN B 92 11.836 3.624 -3.812 1.00 0.00 O ATOM 1485 CB ASN B 92 14.395 5.729 -4.086 1.00 0.00 C ATOM 1486 CG ASN B 92 15.425 4.920 -3.320 1.00 0.00 C ATOM 1487 OD1 ASN B 92 15.404 3.618 -3.509 1.00 0.00 O flip ATOM 1488 ND2 ASN B 92 16.200 5.458 -2.529 1.00 0.00 N flip ATOM 0 H ASN B 92 13.111 4.237 -1.954 1.00 0.00 H new ATOM 0 HA ASN B 92 12.575 6.681 -3.485 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.341 5.360 -5.110 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.724 6.767 -4.138 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.186 6.471 -2.410 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.856 4.891 -1.992 1.00 0.00 H new ATOM 1495 N ALA B 93 11.721 5.166 -5.449 1.00 0.00 N ATOM 1496 CA ALA B 93 10.815 4.400 -6.299 1.00 0.00 C ATOM 1497 C ALA B 93 11.397 3.039 -6.654 1.00 0.00 C ATOM 1498 O ALA B 93 10.668 2.097 -6.956 1.00 0.00 O ATOM 1499 CB ALA B 93 10.507 5.185 -7.565 1.00 0.00 C ATOM 0 H ALA B 93 12.016 6.055 -5.853 1.00 0.00 H new ATOM 0 HA ALA B 93 9.893 4.231 -5.743 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.830 4.608 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA B 93 10.037 6.132 -7.300 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.432 5.378 -8.108 1.00 0.00 H new ATOM 1505 N ALA B 94 12.713 2.941 -6.592 1.00 0.00 N ATOM 1506 CA ALA B 94 13.404 1.709 -6.953 1.00 0.00 C ATOM 1507 C ALA B 94 13.441 0.733 -5.784 1.00 0.00 C ATOM 1508 O ALA B 94 13.683 -0.460 -5.961 1.00 0.00 O ATOM 1509 CB ALA B 94 14.811 2.020 -7.422 1.00 0.00 C ATOM 0 H ALA B 94 13.328 3.699 -6.295 1.00 0.00 H new ATOM 0 HA ALA B 94 12.852 1.237 -7.766 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.319 1.093 -7.689 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.768 2.674 -8.293 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.360 2.517 -6.622 1.00 0.00 H new ATOM 1515 N ASP B 95 13.178 1.248 -4.596 1.00 0.00 N ATOM 1516 CA ASP B 95 13.249 0.454 -3.376 1.00 0.00 C ATOM 1517 C ASP B 95 11.845 0.078 -2.931 1.00 0.00 C ATOM 1518 O ASP B 95 11.632 -0.912 -2.234 1.00 0.00 O ATOM 1519 CB ASP B 95 13.960 1.263 -2.292 1.00 0.00 C ATOM 1520 CG ASP B 95 14.340 0.452 -1.077 1.00 0.00 C ATOM 1521 OD1 ASP B 95 14.899 -0.653 -1.239 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.127 0.943 0.050 1.00 0.00 O ATOM 0 H ASP B 95 12.911 2.221 -4.447 1.00 0.00 H new ATOM 0 HA ASP B 95 13.811 -0.462 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.860 1.709 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.314 2.084 -1.982 1.00 0.00 H new ATOM 1527 N ILE B 96 10.893 0.892 -3.359 1.00 0.00 N ATOM 1528 CA ILE B 96 9.484 0.672 -3.082 1.00 0.00 C ATOM 1529 C ILE B 96 8.931 -0.493 -3.905 1.00 0.00 C ATOM 1530 O ILE B 96 8.893 -0.438 -5.136 1.00 0.00 O ATOM 1531 CB ILE B 96 8.695 1.956 -3.400 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.102 3.068 -2.445 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.197 1.713 -3.321 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.674 4.436 -2.913 1.00 0.00 C ATOM 0 H ILE B 96 11.078 1.729 -3.912 1.00 0.00 H new ATOM 0 HA ILE B 96 9.376 0.420 -2.027 1.00 0.00 H new ATOM 0 HB ILE B 96 8.932 2.258 -4.420 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.668 2.874 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.185 3.055 -2.322 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.666 2.637 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE B 96 6.915 0.944 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE B 96 6.934 1.383 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE B 96 8.994 5.185 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.130 4.649 -3.880 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.589 4.465 -3.009 1.00 0.00 H new ATOM 1546 N LYS B 97 8.519 -1.550 -3.218 1.00 0.00 N ATOM 1547 CA LYS B 97 7.948 -2.721 -3.872 1.00 0.00 C ATOM 1548 C LYS B 97 6.450 -2.798 -3.576 1.00 0.00 C ATOM 1549 O LYS B 97 6.051 -3.114 -2.455 1.00 0.00 O ATOM 1550 CB LYS B 97 8.643 -4.002 -3.381 1.00 0.00 C ATOM 1551 CG LYS B 97 10.156 -3.880 -3.235 1.00 0.00 C ATOM 1552 CD LYS B 97 10.827 -3.410 -4.518 1.00 0.00 C ATOM 1553 CE LYS B 97 10.770 -4.455 -5.621 1.00 0.00 C ATOM 1554 NZ LYS B 97 11.510 -5.692 -5.258 1.00 0.00 N ATOM 0 H LYS B 97 8.570 -1.621 -2.202 1.00 0.00 H new ATOM 0 HA LYS B 97 8.100 -2.631 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.219 -4.285 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.421 -4.811 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.385 -3.181 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.569 -4.846 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.344 -2.496 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.868 -3.162 -4.310 1.00 0.00 H new ATOM 0 HE2 LYS B 97 9.730 -4.704 -5.831 1.00 0.00 H new ATOM 0 HE3 LYS B 97 11.189 -4.038 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 12.118 -5.979 -6.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 12.098 -5.511 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 10.833 -6.453 -5.048 1.00 0.00 H new ATOM 1568 N ILE B 98 5.628 -2.486 -4.573 1.00 0.00 N ATOM 1569 CA ILE B 98 4.178 -2.478 -4.396 1.00 0.00 C ATOM 1570 C ILE B 98 3.514 -3.614 -5.173 1.00 0.00 C ATOM 1571 O ILE B 98 3.638 -3.702 -6.398 1.00 0.00 O ATOM 1572 CB ILE B 98 3.575 -1.130 -4.847 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.216 0.015 -4.067 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.066 -1.120 -4.659 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.678 1.378 -4.435 1.00 0.00 C ATOM 0 H ILE B 98 5.940 -2.235 -5.511 1.00 0.00 H new ATOM 0 HA ILE B 98 3.985 -2.621 -3.333 1.00 0.00 H new ATOM 0 HB ILE B 98 3.783 -0.997 -5.909 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.060 -0.151 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.292 0.001 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.665 -0.160 -4.984 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.620 -1.919 -5.252 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.829 -1.274 -3.606 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.181 2.140 -3.840 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.858 1.567 -5.493 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.607 1.412 -4.238 1.00 0.00 H new ATOM 1587 N PHE B 99 2.804 -4.475 -4.454 1.00 0.00 N ATOM 1588 CA PHE B 99 2.114 -5.606 -5.057 1.00 0.00 C ATOM 1589 C PHE B 99 0.699 -5.720 -4.504 1.00 0.00 C ATOM 1590 O PHE B 99 0.496 -5.807 -3.294 1.00 0.00 O ATOM 1591 CB PHE B 99 2.867 -6.908 -4.788 1.00 0.00 C ATOM 1592 CG PHE B 99 4.199 -7.009 -5.473 1.00 0.00 C ATOM 1593 CD1 PHE B 99 4.295 -7.542 -6.747 1.00 0.00 C ATOM 1594 CD2 PHE B 99 5.356 -6.581 -4.841 1.00 0.00 C ATOM 1595 CE1 PHE B 99 5.518 -7.644 -7.380 1.00 0.00 C ATOM 1596 CE2 PHE B 99 6.581 -6.680 -5.470 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.662 -7.213 -6.741 1.00 0.00 C ATOM 0 H PHE B 99 2.691 -4.409 -3.442 1.00 0.00 H new ATOM 0 HA PHE B 99 2.071 -5.437 -6.133 1.00 0.00 H new ATOM 0 HB2 PHE B 99 3.016 -7.011 -3.713 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.245 -7.745 -5.105 1.00 0.00 H new ATOM 0 HD1 PHE B 99 3.403 -7.882 -7.252 1.00 0.00 H new ATOM 0 HD2 PHE B 99 5.299 -6.166 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE B 99 5.579 -8.061 -8.374 1.00 0.00 H new ATOM 0 HE2 PHE B 99 7.475 -6.341 -4.968 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.620 -7.292 -7.234 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.276 -5.720 -5.391 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.671 -5.823 -4.988 1.00 0.00 C ATOM 1609 C HIS B 100 -2.217 -7.212 -5.288 1.00 0.00 C ATOM 1610 O HIS B 100 -2.347 -7.596 -6.448 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.516 -4.758 -5.699 1.00 0.00 C ATOM 1612 CG HIS B 100 -3.985 -4.837 -5.387 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.957 -5.027 -6.350 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.646 -4.739 -4.208 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.144 -5.046 -5.776 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -5.983 -4.875 -4.478 1.00 0.00 N ATOM 0 H HIS B 100 -0.131 -5.650 -6.398 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.727 -5.654 -3.913 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.148 -3.771 -5.420 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.377 -4.857 -6.776 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.784 -5.136 -7.349 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.202 -4.583 -3.236 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -7.088 -5.179 -6.283 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.530 -7.958 -4.238 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.154 -9.262 -4.394 1.00 0.00 C ATOM 1627 C ILE B 101 -4.669 -9.110 -4.415 1.00 0.00 C ATOM 1628 O ILE B 101 -5.270 -8.640 -3.449 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.749 -10.259 -3.276 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.298 -10.716 -3.430 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.659 -11.475 -3.287 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.268 -9.710 -2.990 1.00 0.00 C ATOM 0 H ILE B 101 -2.362 -7.682 -3.271 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.800 -9.673 -5.339 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.851 -9.735 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -1.158 -11.633 -2.857 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -1.119 -10.964 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.358 -12.162 -2.496 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.689 -11.160 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.583 -11.977 -4.251 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.730 -10.123 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.374 -8.799 -3.579 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -0.413 -9.478 -1.935 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.278 -9.498 -5.522 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.717 -9.361 -5.695 1.00 0.00 C ATOM 1646 C ARG B 102 -7.458 -10.512 -5.019 1.00 0.00 C ATOM 1647 O ARG B 102 -8.629 -10.387 -4.657 1.00 0.00 O ATOM 1648 CB ARG B 102 -7.063 -9.305 -7.183 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.350 -8.185 -7.923 1.00 0.00 C ATOM 1650 CD ARG B 102 -6.903 -7.994 -9.325 1.00 0.00 C ATOM 1651 NE ARG B 102 -8.329 -7.675 -9.302 1.00 0.00 N ATOM 1652 CZ ARG B 102 -8.824 -6.435 -9.316 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -8.012 -5.383 -9.342 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -10.138 -6.249 -9.288 1.00 0.00 N ATOM 0 H ARG B 102 -4.797 -9.913 -6.320 1.00 0.00 H new ATOM 0 HA ARG B 102 -7.034 -8.431 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -6.806 -10.258 -7.645 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -8.140 -9.177 -7.294 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -6.452 -7.256 -7.362 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -5.284 -8.407 -7.980 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -6.359 -7.193 -9.826 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -6.742 -8.901 -9.907 1.00 0.00 H new ATOM 0 HE ARG B 102 -8.990 -8.451 -9.273 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -7.001 -5.519 -9.351 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -8.400 -4.440 -9.353 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -10.766 -7.052 -9.256 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -10.520 -5.303 -9.299 1.00 0.00 H new ATOM 1668 N LYS B 103 -6.758 -11.625 -4.847 1.00 0.00 N ATOM 1669 CA LYS B 103 -7.318 -12.812 -4.213 1.00 0.00 C ATOM 1670 C LYS B 103 -7.817 -12.500 -2.802 1.00 0.00 C ATOM 1671 O LYS B 103 -8.898 -12.933 -2.407 1.00 0.00 O ATOM 1672 CB LYS B 103 -6.258 -13.916 -4.168 1.00 0.00 C ATOM 1673 CG LYS B 103 -6.745 -15.232 -3.580 1.00 0.00 C ATOM 1674 CD LYS B 103 -7.827 -15.884 -4.434 1.00 0.00 C ATOM 1675 CE LYS B 103 -7.313 -16.282 -5.812 1.00 0.00 C ATOM 1676 NZ LYS B 103 -6.130 -17.186 -5.740 1.00 0.00 N ATOM 0 H LYS B 103 -5.787 -11.731 -5.142 1.00 0.00 H new ATOM 0 HA LYS B 103 -8.171 -13.150 -4.801 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -5.896 -14.096 -5.180 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -5.408 -13.563 -3.583 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -5.903 -15.916 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -7.134 -15.057 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -8.208 -16.767 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -8.664 -15.194 -4.546 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -8.111 -16.777 -6.365 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -7.047 -15.384 -6.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -5.902 -17.536 -6.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -5.316 -16.663 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -6.346 -17.991 -5.118 1.00 0.00 H new ATOM 1690 N GLU B 104 -7.028 -11.742 -2.050 1.00 0.00 N ATOM 1691 CA GLU B 104 -7.402 -11.372 -0.693 1.00 0.00 C ATOM 1692 C GLU B 104 -7.738 -9.888 -0.592 1.00 0.00 C ATOM 1693 O GLU B 104 -8.073 -9.390 0.485 1.00 0.00 O ATOM 1694 CB GLU B 104 -6.286 -11.720 0.297 1.00 0.00 C ATOM 1695 CG GLU B 104 -4.912 -11.207 -0.098 1.00 0.00 C ATOM 1696 CD GLU B 104 -3.863 -11.481 0.963 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -4.065 -11.064 2.123 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -2.829 -12.111 0.642 1.00 0.00 O ATOM 0 H GLU B 104 -6.128 -11.373 -2.357 1.00 0.00 H new ATOM 0 HA GLU B 104 -8.293 -11.945 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -6.545 -11.313 1.275 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -6.238 -12.804 0.405 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.608 -11.675 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -4.967 -10.134 -0.281 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.658 -9.196 -1.729 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.890 -7.752 -1.789 1.00 0.00 C ATOM 1707 C ARG B 105 -6.923 -7.013 -0.867 1.00 0.00 C ATOM 1708 O ARG B 105 -7.291 -6.028 -0.224 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.337 -7.415 -1.409 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.373 -7.994 -2.358 1.00 0.00 C ATOM 1711 CD ARG B 105 -11.786 -7.753 -1.848 1.00 0.00 C ATOM 1712 NE ARG B 105 -12.026 -8.425 -0.570 1.00 0.00 N ATOM 1713 CZ ARG B 105 -13.004 -8.101 0.276 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -13.842 -7.113 -0.012 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -13.144 -8.772 1.412 1.00 0.00 N ATOM 0 H ARG B 105 -7.432 -9.618 -2.630 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.716 -7.427 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.534 -7.785 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.452 -6.331 -1.379 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -10.258 -7.543 -3.344 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -10.204 -9.064 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -11.953 -6.682 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -12.504 -8.109 -2.586 1.00 0.00 H new ATOM 0 HE ARG B 105 -11.405 -9.191 -0.310 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -13.740 -6.596 -0.885 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -14.588 -6.871 0.640 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -12.504 -9.534 1.636 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -13.892 -8.526 2.061 1.00 0.00 H new ATOM 1729 N THR B 106 -5.682 -7.483 -0.812 1.00 0.00 N ATOM 1730 CA THR B 106 -4.702 -6.905 0.086 1.00 0.00 C ATOM 1731 C THR B 106 -3.539 -6.313 -0.697 1.00 0.00 C ATOM 1732 O THR B 106 -3.068 -6.901 -1.675 1.00 0.00 O ATOM 1733 CB THR B 106 -4.173 -7.954 1.083 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.266 -8.598 1.748 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.260 -7.315 2.117 1.00 0.00 C ATOM 0 H THR B 106 -5.337 -8.259 -1.377 1.00 0.00 H new ATOM 0 HA THR B 106 -5.198 -6.112 0.646 1.00 0.00 H new ATOM 0 HB THR B 106 -3.601 -8.691 0.520 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.007 -9.510 1.996 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.902 -8.079 2.807 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.410 -6.852 1.615 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.813 -6.556 2.671 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.090 -5.144 -0.280 1.00 0.00 N ATOM 1744 CA LEU B 107 -1.987 -4.477 -0.940 1.00 0.00 C ATOM 1745 C LEU B 107 -0.730 -4.574 -0.077 1.00 0.00 C ATOM 1746 O LEU B 107 -0.683 -4.034 1.030 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.344 -3.010 -1.202 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.931 -2.458 -2.570 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -2.334 -1.001 -2.696 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -0.437 -2.611 -2.791 1.00 0.00 C ATOM 0 H LEU B 107 -3.475 -4.636 0.516 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.794 -4.964 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.422 -2.893 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -1.879 -2.399 -0.429 1.00 0.00 H new ATOM 0 HG LEU B 107 -2.449 -3.034 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -2.034 -0.624 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -3.415 -0.912 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.843 -0.419 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -0.171 -2.211 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU B 107 0.103 -2.065 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -0.169 -3.666 -2.745 1.00 0.00 H new ATOM 1762 N TYR B 108 0.269 -5.287 -0.576 1.00 0.00 N ATOM 1763 CA TYR B 108 1.527 -5.459 0.140 1.00 0.00 C ATOM 1764 C TYR B 108 2.553 -4.411 -0.279 1.00 0.00 C ATOM 1765 O TYR B 108 2.848 -4.249 -1.465 1.00 0.00 O ATOM 1766 CB TYR B 108 2.091 -6.860 -0.103 1.00 0.00 C ATOM 1767 CG TYR B 108 1.273 -7.963 0.526 1.00 0.00 C ATOM 1768 CD1 TYR B 108 -0.001 -8.257 0.062 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.773 -8.705 1.587 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.755 -9.255 0.637 1.00 0.00 C ATOM 1771 CE2 TYR B 108 1.025 -9.710 2.167 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.240 -9.980 1.691 1.00 0.00 C ATOM 1773 OH TYR B 108 -0.990 -10.977 2.276 1.00 0.00 O ATOM 0 H TYR B 108 0.233 -5.759 -1.480 1.00 0.00 H new ATOM 0 HA TYR B 108 1.322 -5.332 1.203 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.155 -7.035 -1.177 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.107 -6.905 0.288 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.408 -7.693 -0.764 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.762 -8.493 1.965 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.746 -9.469 0.264 1.00 0.00 H new ATOM 0 HE2 TYR B 108 1.429 -10.282 2.989 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.556 -11.401 1.598 1.00 0.00 H new ATOM 1783 N ILE B 109 3.078 -3.699 0.709 1.00 0.00 N ATOM 1784 CA ILE B 109 4.115 -2.702 0.490 1.00 0.00 C ATOM 1785 C ILE B 109 5.409 -3.131 1.177 1.00 0.00 C ATOM 1786 O ILE B 109 5.429 -3.360 2.389 1.00 0.00 O ATOM 1787 CB ILE B 109 3.694 -1.327 1.058 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.342 -0.885 0.486 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.760 -0.274 0.787 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.338 -0.702 -1.014 1.00 0.00 C ATOM 0 H ILE B 109 2.796 -3.797 1.684 1.00 0.00 H new ATOM 0 HA ILE B 109 4.268 -2.617 -0.586 1.00 0.00 H new ATOM 0 HB ILE B 109 3.588 -1.433 2.138 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.587 -1.624 0.753 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.050 0.054 0.957 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.438 0.683 1.197 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.696 -0.574 1.258 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.910 -0.176 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.346 -0.389 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE B 109 3.067 0.060 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.598 -1.644 -1.496 1.00 0.00 H new ATOM 1802 N TYR B 110 6.477 -3.256 0.407 1.00 0.00 N ATOM 1803 CA TYR B 110 7.782 -3.583 0.962 1.00 0.00 C ATOM 1804 C TYR B 110 8.781 -2.493 0.604 1.00 0.00 C ATOM 1805 O TYR B 110 8.911 -2.125 -0.563 1.00 0.00 O ATOM 1806 CB TYR B 110 8.285 -4.929 0.434 1.00 0.00 C ATOM 1807 CG TYR B 110 7.391 -6.106 0.757 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.320 -6.439 -0.064 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.631 -6.896 1.873 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.514 -7.523 0.222 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.831 -7.984 2.163 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.775 -8.293 1.335 1.00 0.00 C ATOM 1813 OH TYR B 110 4.979 -9.378 1.620 1.00 0.00 O ATOM 0 H TYR B 110 6.467 -3.136 -0.606 1.00 0.00 H new ATOM 0 HA TYR B 110 7.682 -3.653 2.045 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.397 -4.861 -0.648 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.276 -5.119 0.846 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.115 -5.840 -0.939 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.457 -6.656 2.526 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.683 -7.766 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR B 110 7.033 -8.589 3.035 1.00 0.00 H new ATOM 0 HH TYR B 110 5.184 -9.707 2.520 1.00 0.00 H new ATOM 1823 N ILE B 111 9.470 -1.972 1.605 1.00 0.00 N ATOM 1824 CA ILE B 111 10.458 -0.927 1.390 1.00 0.00 C ATOM 1825 C ILE B 111 11.713 -1.233 2.192 1.00 0.00 C ATOM 1826 O ILE B 111 11.750 -0.910 3.394 1.00 0.00 O ATOM 1827 CB ILE B 111 9.913 0.469 1.780 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.660 0.795 0.961 1.00 0.00 C ATOM 1829 CG2 ILE B 111 10.980 1.538 1.569 1.00 0.00 C ATOM 1830 CD1 ILE B 111 7.996 2.097 1.348 1.00 0.00 C ATOM 1831 OXT ILE B 111 12.650 -1.830 1.627 1.00 0.00 O ATOM 0 H ILE B 111 9.363 -2.257 2.579 1.00 0.00 H new ATOM 0 HA ILE B 111 10.694 -0.906 0.326 1.00 0.00 H new ATOM 0 HB ILE B 111 9.646 0.455 2.837 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.928 0.835 -0.095 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.941 -0.016 1.076 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.579 2.512 1.848 1.00 0.00 H new ATOM 0 HG22 ILE B 111 11.849 1.312 2.188 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.276 1.555 0.520 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.117 2.257 0.723 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.695 2.055 2.395 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.697 2.919 1.205 1.00 0.00 H new