USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=20 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 Single : A 5 SER OG : rot -29:sc= 0.243 USER MOD Single : A 7 GLN : amide:sc= -1.99! C(o=-2!,f=-1.9!) USER MOD Single : A 20 TYR OH : rot -68:sc= 0.134 USER MOD Single : B 34 TYR OH : rot -38:sc= 0.396 USER MOD Single : B 37 LYS NZ :NH3+ -93:sc= 2.31 (180deg=-0.552) USER MOD Single : B 38 MET CE :methyl -141:sc= 0 (180deg=-1.05) USER MOD Single : B 39 LYS NZ :NH3+ -170:sc=-0.00739 (180deg=-0.134) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 TYR OH : rot -138:sc= 0.119 USER MOD Single : B 47 LYS NZ :NH3+ -173:sc= 2.32 (180deg=2.18) USER MOD Single : B 54 ASN : amide:sc= -0.122 K(o=-0.12,f=-3.2!) USER MOD Single : B 55 LYS NZ :NH3+ -148:sc= 1.2 (180deg=0.0171) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot 180:sc= -0.294 USER MOD Single : B 68 TYR OH : rot 180:sc= -0.507 USER MOD Single : B 69 ASN :FLIP amide:sc= -0.561 F(o=-2.6!,f=-0.56) USER MOD Single : B 73 ASN : amide:sc= -1.8 X(o=-1.8,f=-1.3) USER MOD Single : B 76 TYR OH : rot 86:sc= 0.339 USER MOD Single : B 78 ASN : amide:sc= -0.363 K(o=-0.36,f=-4!) USER MOD Single : B 80 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0636) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN :FLIP amide:sc= -1.01 F(o=-2.1!,f=-1) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 HIS : no HD1:sc=-0.00569 K(o=-0.0057,f=-2) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 THR OG1 : rot 73:sc= 1.27 USER MOD Single : B 108 TYR OH : rot 180:sc= 0.168 USER MOD Single : B 110 TYR OH : rot -172:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 8.563 14.112 -7.168 1.00 0.00 N ATOM 60 CA SER A 5 7.588 13.071 -6.903 1.00 0.00 C ATOM 61 C SER A 5 7.528 12.109 -8.081 1.00 0.00 C ATOM 62 O SER A 5 7.567 12.535 -9.235 1.00 0.00 O ATOM 63 CB SER A 5 6.211 13.688 -6.638 1.00 0.00 C ATOM 64 OG SER A 5 5.887 14.657 -7.622 1.00 0.00 O ATOM 0 HA SER A 5 7.890 12.517 -6.014 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.453 12.904 -6.632 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.200 14.150 -5.651 1.00 0.00 H new ATOM 0 HG SER A 5 6.710 15.068 -7.960 1.00 0.00 H new ATOM 70 N VAL A 6 7.460 10.822 -7.787 1.00 0.00 N ATOM 71 CA VAL A 6 7.427 9.800 -8.823 1.00 0.00 C ATOM 72 C VAL A 6 6.285 8.825 -8.576 1.00 0.00 C ATOM 73 O VAL A 6 5.925 8.552 -7.434 1.00 0.00 O ATOM 74 CB VAL A 6 8.755 9.016 -8.893 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.890 9.908 -9.371 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.092 8.405 -7.540 1.00 0.00 C ATOM 0 H VAL A 6 7.426 10.457 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 6 7.275 10.312 -9.773 1.00 0.00 H new ATOM 0 HB VAL A 6 8.630 8.209 -9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.814 9.331 -9.411 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.658 10.291 -10.365 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.013 10.742 -8.680 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.032 7.857 -7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.190 9.197 -6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.296 7.723 -7.240 1.00 0.00 H new ATOM 86 N GLN A 7 5.725 8.300 -9.647 1.00 0.00 N ATOM 87 CA GLN A 7 4.624 7.357 -9.547 1.00 0.00 C ATOM 88 C GLN A 7 5.165 5.933 -9.525 1.00 0.00 C ATOM 89 O GLN A 7 6.110 5.609 -10.247 1.00 0.00 O ATOM 90 CB GLN A 7 3.626 7.550 -10.702 1.00 0.00 C ATOM 91 CG GLN A 7 4.134 7.137 -12.081 1.00 0.00 C ATOM 92 CD GLN A 7 5.333 7.941 -12.553 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.191 9.005 -13.157 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.524 7.434 -12.284 1.00 0.00 N ATOM 0 H GLN A 7 6.014 8.510 -10.602 1.00 0.00 H new ATOM 0 HA GLN A 7 4.087 7.542 -8.616 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.724 6.980 -10.480 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.338 8.601 -10.739 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.401 6.081 -12.059 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.326 7.246 -12.804 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.600 6.550 -11.781 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.367 7.927 -12.579 1.00 0.00 H new ATOM 103 N ILE A 8 4.590 5.094 -8.683 1.00 0.00 N ATOM 104 CA ILE A 8 5.080 3.733 -8.537 1.00 0.00 C ATOM 105 C ILE A 8 4.108 2.746 -9.171 1.00 0.00 C ATOM 106 O ILE A 8 2.928 2.718 -8.820 1.00 0.00 O ATOM 107 CB ILE A 8 5.281 3.345 -7.056 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.849 4.518 -6.246 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.205 2.139 -6.954 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.185 5.022 -6.741 1.00 0.00 C ATOM 0 H ILE A 8 3.790 5.327 -8.094 1.00 0.00 H new ATOM 0 HA ILE A 8 6.045 3.691 -9.042 1.00 0.00 H new ATOM 0 HB ILE A 8 4.308 3.088 -6.637 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.133 5.340 -6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.952 4.210 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.341 1.872 -5.906 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.765 1.297 -7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.172 2.383 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.516 5.850 -6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.918 4.216 -6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.086 5.363 -7.772 1.00 0.00 H new ATOM 122 N PRO A 9 4.585 1.937 -10.127 1.00 0.00 N ATOM 123 CA PRO A 9 3.763 0.910 -10.762 1.00 0.00 C ATOM 124 C PRO A 9 3.464 -0.249 -9.816 1.00 0.00 C ATOM 125 O PRO A 9 4.367 -0.813 -9.193 1.00 0.00 O ATOM 126 CB PRO A 9 4.618 0.436 -11.938 1.00 0.00 C ATOM 127 CG PRO A 9 6.022 0.740 -11.538 1.00 0.00 C ATOM 128 CD PRO A 9 5.955 1.969 -10.672 1.00 0.00 C ATOM 0 HA PRO A 9 2.789 1.296 -11.063 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.481 -0.630 -12.122 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.348 0.955 -12.858 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.461 -0.096 -10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.647 0.914 -12.414 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.702 1.942 -9.879 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.136 2.876 -11.249 1.00 0.00 H new ATOM 136 N VAL A 10 2.194 -0.595 -9.706 1.00 0.00 N ATOM 137 CA VAL A 10 1.775 -1.680 -8.836 1.00 0.00 C ATOM 138 C VAL A 10 1.428 -2.925 -9.648 1.00 0.00 C ATOM 139 O VAL A 10 0.763 -2.850 -10.682 1.00 0.00 O ATOM 140 CB VAL A 10 0.581 -1.265 -7.937 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.509 -0.581 -8.746 1.00 0.00 C ATOM 142 CG2 VAL A 10 0.015 -2.466 -7.192 1.00 0.00 C ATOM 0 H VAL A 10 1.433 -0.139 -10.209 1.00 0.00 H new ATOM 0 HA VAL A 10 2.615 -1.916 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 10 0.957 -0.551 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.331 -0.303 -8.087 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.104 0.314 -9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.874 -1.263 -9.514 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.821 -2.147 -6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.331 -3.210 -7.910 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.791 -2.902 -6.563 1.00 0.00 H new ATOM 152 N VAL A 11 1.906 -4.066 -9.177 1.00 0.00 N ATOM 153 CA VAL A 11 1.657 -5.341 -9.824 1.00 0.00 C ATOM 154 C VAL A 11 0.340 -5.920 -9.324 1.00 0.00 C ATOM 155 O VAL A 11 -0.061 -5.653 -8.193 1.00 0.00 O ATOM 156 CB VAL A 11 2.788 -6.340 -9.505 1.00 0.00 C ATOM 157 CG1 VAL A 11 2.604 -6.937 -8.133 1.00 0.00 C ATOM 158 CG2 VAL A 11 2.893 -7.444 -10.535 1.00 0.00 C ATOM 0 H VAL A 11 2.478 -4.132 -8.335 1.00 0.00 H new ATOM 0 HA VAL A 11 1.613 -5.177 -10.901 1.00 0.00 H new ATOM 0 HB VAL A 11 3.719 -5.774 -9.532 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.413 -7.638 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.616 -6.143 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.650 -7.462 -8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.704 -8.119 -10.263 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.955 -7.999 -10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.095 -7.010 -11.514 1.00 0.00 H new ATOM 168 N GLU A 12 -0.356 -6.664 -10.158 1.00 0.00 N ATOM 169 CA GLU A 12 -1.503 -7.412 -9.682 1.00 0.00 C ATOM 170 C GLU A 12 -1.243 -8.902 -9.812 1.00 0.00 C ATOM 171 O GLU A 12 -1.476 -9.508 -10.858 1.00 0.00 O ATOM 172 CB GLU A 12 -2.774 -7.005 -10.418 1.00 0.00 C ATOM 173 CG GLU A 12 -3.152 -5.559 -10.162 1.00 0.00 C ATOM 174 CD GLU A 12 -4.519 -5.205 -10.698 1.00 0.00 C ATOM 175 OE1 GLU A 12 -4.648 -4.969 -11.917 1.00 0.00 O ATOM 176 OE2 GLU A 12 -5.470 -5.148 -9.893 1.00 0.00 O ATOM 0 H GLU A 12 -0.154 -6.767 -11.152 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.654 -7.179 -8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.635 -7.158 -11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.594 -7.653 -10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.127 -5.367 -9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.408 -4.908 -10.620 1.00 0.00 H new ATOM 183 N VAL A 13 -0.752 -9.477 -8.728 1.00 0.00 N ATOM 184 CA VAL A 13 -0.439 -10.897 -8.675 1.00 0.00 C ATOM 185 C VAL A 13 -1.319 -11.611 -7.656 1.00 0.00 C ATOM 186 O VAL A 13 -2.242 -11.014 -7.098 1.00 0.00 O ATOM 187 CB VAL A 13 1.045 -11.137 -8.321 1.00 0.00 C ATOM 188 CG1 VAL A 13 1.945 -10.756 -9.485 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.430 -10.358 -7.071 1.00 0.00 C ATOM 0 H VAL A 13 -0.559 -8.975 -7.861 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.633 -11.303 -9.668 1.00 0.00 H new ATOM 0 HB VAL A 13 1.179 -12.200 -8.120 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.986 -10.933 -9.213 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.689 -11.360 -10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.806 -9.701 -9.722 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.479 -10.540 -6.838 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.276 -9.293 -7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.811 -10.683 -6.235 1.00 0.00 H new ATOM 199 N ASP A 14 -1.036 -12.885 -7.420 1.00 0.00 N ATOM 200 CA ASP A 14 -1.787 -13.662 -6.445 1.00 0.00 C ATOM 201 C ASP A 14 -1.051 -13.708 -5.119 1.00 0.00 C ATOM 202 O ASP A 14 -1.660 -13.937 -4.073 1.00 0.00 O ATOM 203 CB ASP A 14 -2.058 -15.078 -6.956 1.00 0.00 C ATOM 204 CG ASP A 14 -3.173 -15.115 -7.983 1.00 0.00 C ATOM 205 OD1 ASP A 14 -2.903 -14.864 -9.177 1.00 0.00 O ATOM 206 OD2 ASP A 14 -4.333 -15.381 -7.604 1.00 0.00 O ATOM 0 H ASP A 14 -0.293 -13.401 -7.890 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.748 -13.170 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.147 -15.483 -7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.319 -15.721 -6.116 1.00 0.00 H new ATOM 211 N GLU A 15 0.260 -13.488 -5.165 1.00 0.00 N ATOM 212 CA GLU A 15 1.058 -13.374 -3.954 1.00 0.00 C ATOM 213 C GLU A 15 2.461 -12.882 -4.287 1.00 0.00 C ATOM 214 O GLU A 15 2.824 -12.766 -5.459 1.00 0.00 O ATOM 215 CB GLU A 15 1.124 -14.710 -3.219 1.00 0.00 C ATOM 216 CG GLU A 15 1.964 -15.770 -3.912 1.00 0.00 C ATOM 217 CD GLU A 15 2.071 -17.041 -3.099 1.00 0.00 C ATOM 218 OE1 GLU A 15 2.823 -17.053 -2.104 1.00 0.00 O ATOM 219 OE2 GLU A 15 1.394 -18.034 -3.443 1.00 0.00 O ATOM 0 H GLU A 15 0.790 -13.385 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 15 0.579 -12.647 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.527 -14.541 -2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.111 -15.092 -3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.526 -15.999 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.963 -15.375 -4.097 1.00 0.00 H new ATOM 226 N LEU A 16 3.248 -12.596 -3.259 1.00 0.00 N ATOM 227 CA LEU A 16 4.596 -12.085 -3.460 1.00 0.00 C ATOM 228 C LEU A 16 5.525 -13.210 -3.885 1.00 0.00 C ATOM 229 O LEU A 16 5.304 -14.373 -3.538 1.00 0.00 O ATOM 230 CB LEU A 16 5.143 -11.438 -2.184 1.00 0.00 C ATOM 231 CG LEU A 16 4.314 -10.302 -1.581 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.440 -9.641 -2.625 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.481 -10.807 -0.425 1.00 0.00 C ATOM 0 H LEU A 16 2.978 -12.709 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 16 4.548 -11.328 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.255 -12.216 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.141 -11.055 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 16 5.005 -9.548 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.865 -8.839 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.066 -9.229 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.758 -10.379 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.899 -9.985 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.807 -11.588 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.136 -11.213 0.346 1.00 0.00 H new ATOM 245 N PRO A 17 6.563 -12.886 -4.663 1.00 0.00 N ATOM 246 CA PRO A 17 7.565 -13.867 -5.060 1.00 0.00 C ATOM 247 C PRO A 17 8.465 -14.267 -3.895 1.00 0.00 C ATOM 248 O PRO A 17 8.389 -13.688 -2.805 1.00 0.00 O ATOM 249 CB PRO A 17 8.366 -13.148 -6.146 1.00 0.00 C ATOM 250 CG PRO A 17 8.195 -11.699 -5.857 1.00 0.00 C ATOM 251 CD PRO A 17 6.839 -11.547 -5.223 1.00 0.00 C ATOM 0 HA PRO A 17 7.115 -14.798 -5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.417 -13.435 -6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.996 -13.398 -7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.978 -11.342 -5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.264 -11.110 -6.772 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.843 -10.781 -4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.085 -11.256 -5.954 1.00 0.00 H new ATOM 259 N GLU A 18 9.308 -15.261 -4.133 1.00 0.00 N ATOM 260 CA GLU A 18 10.227 -15.761 -3.121 1.00 0.00 C ATOM 261 C GLU A 18 11.069 -14.631 -2.528 1.00 0.00 C ATOM 262 O GLU A 18 11.526 -13.732 -3.242 1.00 0.00 O ATOM 263 CB GLU A 18 11.131 -16.831 -3.734 1.00 0.00 C ATOM 264 CG GLU A 18 11.951 -16.323 -4.906 1.00 0.00 C ATOM 265 CD GLU A 18 12.717 -17.424 -5.602 1.00 0.00 C ATOM 266 OE1 GLU A 18 13.783 -17.821 -5.094 1.00 0.00 O ATOM 267 OE2 GLU A 18 12.255 -17.895 -6.662 1.00 0.00 O ATOM 0 H GLU A 18 9.374 -15.742 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 18 9.643 -16.199 -2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.804 -17.212 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.518 -17.669 -4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.290 -15.837 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.651 -15.566 -4.553 1.00 0.00 H new ATOM 274 N GLY A 19 11.253 -14.672 -1.220 1.00 0.00 N ATOM 275 CA GLY A 19 12.044 -13.662 -0.547 1.00 0.00 C ATOM 276 C GLY A 19 11.192 -12.647 0.186 1.00 0.00 C ATOM 277 O GLY A 19 11.710 -11.828 0.951 1.00 0.00 O ATOM 0 H GLY A 19 10.867 -15.390 -0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.717 -14.145 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.667 -13.147 -1.278 1.00 0.00 H new ATOM 281 N TYR A 20 9.886 -12.693 -0.042 1.00 0.00 N ATOM 282 CA TYR A 20 8.973 -11.756 0.599 1.00 0.00 C ATOM 283 C TYR A 20 8.273 -12.375 1.802 1.00 0.00 C ATOM 284 O TYR A 20 7.919 -13.555 1.797 1.00 0.00 O ATOM 285 CB TYR A 20 7.935 -11.250 -0.396 1.00 0.00 C ATOM 286 CG TYR A 20 8.472 -10.215 -1.353 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.442 -8.869 -1.026 1.00 0.00 C ATOM 288 CD2 TYR A 20 9.012 -10.582 -2.576 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.931 -7.913 -1.892 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.507 -9.634 -3.446 1.00 0.00 C ATOM 291 CZ TYR A 20 9.466 -8.303 -3.102 1.00 0.00 C ATOM 292 OH TYR A 20 9.964 -7.360 -3.973 1.00 0.00 O ATOM 0 H TYR A 20 9.437 -13.366 -0.663 1.00 0.00 H new ATOM 0 HA TYR A 20 9.573 -10.918 0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.548 -12.095 -0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.095 -10.825 0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.029 -8.563 -0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.045 -11.626 -2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.895 -6.867 -1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.926 -9.936 -4.395 1.00 0.00 H new ATOM 0 HH TYR A 20 9.228 -6.814 -4.319 1.00 0.00 H new ATOM 302 N ASP A 21 8.078 -11.554 2.823 1.00 0.00 N ATOM 303 CA ASP A 21 7.410 -11.975 4.049 1.00 0.00 C ATOM 304 C ASP A 21 5.938 -11.593 3.986 1.00 0.00 C ATOM 305 O ASP A 21 5.562 -10.456 4.290 1.00 0.00 O ATOM 306 CB ASP A 21 8.077 -11.323 5.267 1.00 0.00 C ATOM 307 CG ASP A 21 7.458 -11.757 6.585 1.00 0.00 C ATOM 308 OD1 ASP A 21 7.823 -12.840 7.093 1.00 0.00 O ATOM 309 OD2 ASP A 21 6.612 -11.020 7.126 1.00 0.00 O ATOM 0 H ASP A 21 8.377 -10.579 2.827 1.00 0.00 H new ATOM 0 HA ASP A 21 7.493 -13.057 4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.138 -11.573 5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.005 -10.239 5.177 1.00 0.00 H new ATOM 314 N ARG A 22 5.109 -12.537 3.572 1.00 0.00 N ATOM 315 CA ARG A 22 3.696 -12.269 3.366 1.00 0.00 C ATOM 316 C ARG A 22 2.877 -12.572 4.615 1.00 0.00 C ATOM 317 O ARG A 22 3.233 -13.438 5.415 1.00 0.00 O ATOM 318 CB ARG A 22 3.159 -13.077 2.175 1.00 0.00 C ATOM 319 CG ARG A 22 1.649 -12.986 2.025 1.00 0.00 C ATOM 320 CD ARG A 22 1.172 -13.433 0.657 1.00 0.00 C ATOM 321 NE ARG A 22 -0.271 -13.662 0.646 1.00 0.00 N ATOM 322 CZ ARG A 22 -0.853 -14.759 0.159 1.00 0.00 C ATOM 323 NH1 ARG A 22 -0.120 -15.725 -0.384 1.00 0.00 N ATOM 324 NH2 ARG A 22 -2.171 -14.896 0.231 1.00 0.00 N ATOM 0 H ARG A 22 5.391 -13.497 3.372 1.00 0.00 H new ATOM 0 HA ARG A 22 3.596 -11.206 3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.631 -12.721 1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.444 -14.122 2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.174 -13.600 2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.331 -11.958 2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.428 -12.676 -0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.690 -14.348 0.370 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.872 -12.936 1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.895 -15.631 -0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.572 -16.561 -0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.737 -14.163 0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.618 -15.734 -0.141 1.00 0.00 H new ATOM 491 N GLU B 33 -13.060 0.132 3.077 1.00 0.00 N ATOM 492 CA GLU B 33 -12.418 0.194 4.374 1.00 0.00 C ATOM 493 C GLU B 33 -11.076 -0.519 4.307 1.00 0.00 C ATOM 494 O GLU B 33 -11.006 -1.748 4.351 1.00 0.00 O ATOM 495 CB GLU B 33 -13.305 -0.452 5.448 1.00 0.00 C ATOM 496 CG GLU B 33 -12.739 -0.332 6.852 1.00 0.00 C ATOM 497 CD GLU B 33 -13.577 -1.043 7.897 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.519 -0.426 8.434 1.00 0.00 O ATOM 499 OE2 GLU B 33 -13.291 -2.221 8.199 1.00 0.00 O ATOM 0 HA GLU B 33 -12.263 1.239 4.643 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.291 0.012 5.421 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.442 -1.507 5.209 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -11.729 -0.741 6.866 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.659 0.723 7.116 1.00 0.00 H new ATOM 506 N TYR B 34 -10.022 0.250 4.134 1.00 0.00 N ATOM 507 CA TYR B 34 -8.678 -0.298 4.128 1.00 0.00 C ATOM 508 C TYR B 34 -8.121 -0.357 5.541 1.00 0.00 C ATOM 509 O TYR B 34 -8.523 0.416 6.411 1.00 0.00 O ATOM 510 CB TYR B 34 -7.751 0.539 3.250 1.00 0.00 C ATOM 511 CG TYR B 34 -8.091 0.506 1.779 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.788 -0.605 1.001 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.706 1.588 1.166 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.091 -0.634 -0.346 1.00 0.00 C ATOM 515 CE2 TYR B 34 -9.012 1.566 -0.179 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.703 0.453 -0.931 1.00 0.00 C ATOM 517 OH TYR B 34 -9.011 0.425 -2.273 1.00 0.00 O ATOM 0 H TYR B 34 -10.068 1.259 3.995 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.732 -1.307 3.720 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.779 1.573 3.594 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.728 0.187 3.383 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.308 -1.459 1.457 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.949 2.462 1.752 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -7.849 -1.504 -0.938 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.491 2.417 -0.640 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.297 -0.033 -2.763 1.00 0.00 H new ATOM 527 N GLU B 35 -7.202 -1.276 5.764 1.00 0.00 N ATOM 528 CA GLU B 35 -6.535 -1.392 7.043 1.00 0.00 C ATOM 529 C GLU B 35 -5.031 -1.344 6.826 1.00 0.00 C ATOM 530 O GLU B 35 -4.475 -2.187 6.123 1.00 0.00 O ATOM 531 CB GLU B 35 -6.925 -2.694 7.745 1.00 0.00 C ATOM 532 CG GLU B 35 -6.483 -2.751 9.198 1.00 0.00 C ATOM 533 CD GLU B 35 -6.664 -4.121 9.813 1.00 0.00 C ATOM 534 OE1 GLU B 35 -7.819 -4.558 9.986 1.00 0.00 O ATOM 535 OE2 GLU B 35 -5.646 -4.770 10.129 1.00 0.00 O ATOM 0 H GLU B 35 -6.899 -1.958 5.069 1.00 0.00 H new ATOM 0 HA GLU B 35 -6.842 -0.562 7.680 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.007 -2.814 7.697 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -6.487 -3.534 7.206 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -5.434 -2.463 9.265 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.051 -2.021 9.775 1.00 0.00 H new ATOM 542 N VAL B 36 -4.397 -0.338 7.400 1.00 0.00 N ATOM 543 CA VAL B 36 -2.959 -0.152 7.269 1.00 0.00 C ATOM 544 C VAL B 36 -2.222 -0.757 8.460 1.00 0.00 C ATOM 545 O VAL B 36 -2.541 -0.464 9.611 1.00 0.00 O ATOM 546 CB VAL B 36 -2.600 1.346 7.162 1.00 0.00 C ATOM 547 CG1 VAL B 36 -1.100 1.532 6.989 1.00 0.00 C ATOM 548 CG2 VAL B 36 -3.359 2.000 6.018 1.00 0.00 C ATOM 0 H VAL B 36 -4.860 0.372 7.968 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.649 -0.660 6.356 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.897 1.833 8.091 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.871 2.595 6.916 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.579 1.107 7.847 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.773 1.027 6.080 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -3.092 3.055 5.960 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -3.099 1.508 5.081 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.431 1.906 6.192 1.00 0.00 H new ATOM 558 N LYS B 37 -1.250 -1.614 8.178 1.00 0.00 N ATOM 559 CA LYS B 37 -0.444 -2.234 9.221 1.00 0.00 C ATOM 560 C LYS B 37 1.029 -2.001 8.925 1.00 0.00 C ATOM 561 O LYS B 37 1.528 -2.420 7.881 1.00 0.00 O ATOM 562 CB LYS B 37 -0.716 -3.744 9.320 1.00 0.00 C ATOM 563 CG LYS B 37 -2.179 -4.110 9.532 1.00 0.00 C ATOM 564 CD LYS B 37 -2.953 -4.118 8.222 1.00 0.00 C ATOM 565 CE LYS B 37 -3.206 -5.528 7.713 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.092 -6.297 8.626 1.00 0.00 N ATOM 0 H LYS B 37 -1.000 -1.897 7.230 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.713 -1.780 10.175 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.363 -4.224 8.407 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.129 -4.153 10.143 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.244 -5.093 9.999 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.636 -3.399 10.220 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.906 -3.608 8.362 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.398 -3.556 7.471 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -3.659 -5.481 6.723 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -2.256 -6.051 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -3.512 -6.836 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -4.708 -5.640 9.146 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.677 -6.954 8.071 1.00 0.00 H new ATOM 580 N MET B 38 1.717 -1.325 9.826 1.00 0.00 N ATOM 581 CA MET B 38 3.122 -1.005 9.625 1.00 0.00 C ATOM 582 C MET B 38 3.998 -1.954 10.437 1.00 0.00 C ATOM 583 O MET B 38 3.665 -2.293 11.573 1.00 0.00 O ATOM 584 CB MET B 38 3.382 0.444 10.016 1.00 0.00 C ATOM 585 CG MET B 38 4.314 1.145 9.056 1.00 0.00 C ATOM 586 SD MET B 38 4.162 2.934 9.089 1.00 0.00 S ATOM 587 CE MET B 38 4.783 3.304 7.453 1.00 0.00 C ATOM 0 H MET B 38 1.327 -0.986 10.706 1.00 0.00 H new ATOM 0 HA MET B 38 3.373 -1.129 8.572 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.435 0.982 10.055 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.808 0.475 11.019 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.342 0.871 9.294 1.00 0.00 H new ATOM 0 HG3 MET B 38 4.116 0.790 8.045 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.395 4.205 7.491 1.00 0.00 H new ATOM 0 HE2 MET B 38 5.387 2.470 7.096 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.946 3.463 6.773 1.00 0.00 H new ATOM 597 N LYS B 39 5.107 -2.396 9.855 1.00 0.00 N ATOM 598 CA LYS B 39 5.955 -3.389 10.510 1.00 0.00 C ATOM 599 C LYS B 39 7.428 -3.130 10.196 1.00 0.00 C ATOM 600 O LYS B 39 7.800 -2.931 9.039 1.00 0.00 O ATOM 601 CB LYS B 39 5.541 -4.793 10.048 1.00 0.00 C ATOM 602 CG LYS B 39 5.699 -5.886 11.100 1.00 0.00 C ATOM 603 CD LYS B 39 7.155 -6.215 11.377 1.00 0.00 C ATOM 604 CE LYS B 39 7.294 -7.334 12.398 1.00 0.00 C ATOM 605 NZ LYS B 39 6.718 -6.966 13.720 1.00 0.00 N ATOM 0 H LYS B 39 5.439 -2.088 8.941 1.00 0.00 H new ATOM 0 HA LYS B 39 5.826 -3.315 11.590 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.499 -4.763 9.730 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.134 -5.062 9.174 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.219 -5.568 12.025 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.183 -6.786 10.766 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.645 -6.507 10.448 1.00 0.00 H new ATOM 0 HD3 LYS B 39 7.667 -5.324 11.741 1.00 0.00 H new ATOM 0 HE2 LYS B 39 6.796 -8.229 12.024 1.00 0.00 H new ATOM 0 HE3 LYS B 39 8.348 -7.583 12.520 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 6.983 -7.683 14.426 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 7.086 -6.039 14.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 5.682 -6.919 13.646 1.00 0.00 H new ATOM 619 N ARG B 40 8.256 -3.132 11.234 1.00 0.00 N ATOM 620 CA ARG B 40 9.684 -2.894 11.094 1.00 0.00 C ATOM 621 C ARG B 40 10.464 -4.169 10.817 1.00 0.00 C ATOM 622 O ARG B 40 10.163 -5.237 11.352 1.00 0.00 O ATOM 623 CB ARG B 40 10.234 -2.241 12.358 1.00 0.00 C ATOM 624 CG ARG B 40 10.392 -0.744 12.234 1.00 0.00 C ATOM 625 CD ARG B 40 11.386 -0.397 11.147 1.00 0.00 C ATOM 626 NE ARG B 40 11.644 1.041 11.074 1.00 0.00 N ATOM 627 CZ ARG B 40 12.718 1.577 10.497 1.00 0.00 C ATOM 628 NH1 ARG B 40 13.629 0.800 9.928 1.00 0.00 N ATOM 629 NH2 ARG B 40 12.880 2.895 10.481 1.00 0.00 N ATOM 0 H ARG B 40 7.955 -3.299 12.194 1.00 0.00 H new ATOM 0 HA ARG B 40 9.809 -2.232 10.237 1.00 0.00 H new ATOM 0 HB2 ARG B 40 9.568 -2.462 13.192 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.201 -2.683 12.596 1.00 0.00 H new ATOM 0 HG2 ARG B 40 9.427 -0.289 12.009 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.726 -0.329 13.185 1.00 0.00 H new ATOM 0 HD2 ARG B 40 12.322 -0.924 11.331 1.00 0.00 H new ATOM 0 HD3 ARG B 40 11.008 -0.746 10.186 1.00 0.00 H new ATOM 0 HE ARG B 40 10.959 1.672 11.491 1.00 0.00 H new ATOM 0 HH11 ARG B 40 13.509 -0.213 9.931 1.00 0.00 H new ATOM 0 HH12 ARG B 40 14.450 1.215 9.487 1.00 0.00 H new ATOM 0 HH21 ARG B 40 12.181 3.500 10.911 1.00 0.00 H new ATOM 0 HH22 ARG B 40 13.704 3.302 10.038 1.00 0.00 H new ATOM 643 N PHE B 41 11.479 -4.031 9.981 1.00 0.00 N ATOM 644 CA PHE B 41 12.391 -5.125 9.661 1.00 0.00 C ATOM 645 C PHE B 41 13.835 -4.657 9.791 1.00 0.00 C ATOM 646 O PHE B 41 14.129 -3.468 9.635 1.00 0.00 O ATOM 647 CB PHE B 41 12.149 -5.652 8.242 1.00 0.00 C ATOM 648 CG PHE B 41 10.935 -6.528 8.105 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.661 -5.989 8.145 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.073 -7.896 7.934 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.549 -6.797 8.019 1.00 0.00 C ATOM 652 CE2 PHE B 41 9.964 -8.709 7.806 1.00 0.00 C ATOM 653 CZ PHE B 41 8.700 -8.158 7.851 1.00 0.00 C ATOM 0 H PHE B 41 11.697 -3.157 9.502 1.00 0.00 H new ATOM 0 HA PHE B 41 12.203 -5.935 10.366 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.049 -4.804 7.564 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.026 -6.214 7.922 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.535 -4.924 8.276 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.060 -8.332 7.900 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.560 -6.364 8.052 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.086 -9.774 7.671 1.00 0.00 H new ATOM 0 HZ PHE B 41 7.830 -8.791 7.755 1.00 0.00 H new ATOM 663 N LYS B 42 14.731 -5.589 10.090 1.00 0.00 N ATOM 664 CA LYS B 42 16.147 -5.276 10.235 1.00 0.00 C ATOM 665 C LYS B 42 16.998 -6.389 9.637 1.00 0.00 C ATOM 666 O LYS B 42 16.968 -7.527 10.110 1.00 0.00 O ATOM 667 CB LYS B 42 16.517 -5.072 11.710 1.00 0.00 C ATOM 668 CG LYS B 42 15.829 -3.879 12.352 1.00 0.00 C ATOM 669 CD LYS B 42 16.313 -3.640 13.773 1.00 0.00 C ATOM 670 CE LYS B 42 15.581 -2.471 14.409 1.00 0.00 C ATOM 671 NZ LYS B 42 16.111 -2.145 15.759 1.00 0.00 N ATOM 0 H LYS B 42 14.501 -6.572 10.237 1.00 0.00 H new ATOM 0 HA LYS B 42 16.343 -4.348 9.699 1.00 0.00 H new ATOM 0 HB2 LYS B 42 16.260 -5.972 12.268 1.00 0.00 H new ATOM 0 HB3 LYS B 42 17.597 -4.945 11.791 1.00 0.00 H new ATOM 0 HG2 LYS B 42 16.013 -2.988 11.752 1.00 0.00 H new ATOM 0 HG3 LYS B 42 14.751 -4.042 12.359 1.00 0.00 H new ATOM 0 HD2 LYS B 42 16.158 -4.539 14.370 1.00 0.00 H new ATOM 0 HD3 LYS B 42 17.385 -3.443 13.767 1.00 0.00 H new ATOM 0 HE2 LYS B 42 15.668 -1.596 13.765 1.00 0.00 H new ATOM 0 HE3 LYS B 42 14.519 -2.707 14.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 15.582 -1.342 16.155 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 16.005 -2.971 16.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 17.118 -1.894 15.686 1.00 0.00 H new ATOM 685 N GLY B 43 17.749 -6.057 8.596 1.00 0.00 N ATOM 686 CA GLY B 43 18.588 -7.040 7.936 1.00 0.00 C ATOM 687 C GLY B 43 17.846 -7.783 6.843 1.00 0.00 C ATOM 688 O GLY B 43 18.288 -8.838 6.385 1.00 0.00 O ATOM 0 H GLY B 43 17.793 -5.120 8.195 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.459 -6.544 7.509 1.00 0.00 H new ATOM 0 HA3 GLY B 43 18.957 -7.754 8.673 1.00 0.00 H new ATOM 692 N ALA B 44 16.725 -7.225 6.418 1.00 0.00 N ATOM 693 CA ALA B 44 15.888 -7.854 5.409 1.00 0.00 C ATOM 694 C ALA B 44 15.999 -7.117 4.081 1.00 0.00 C ATOM 695 O ALA B 44 16.621 -6.055 3.999 1.00 0.00 O ATOM 696 CB ALA B 44 14.441 -7.893 5.877 1.00 0.00 C ATOM 0 H ALA B 44 16.371 -6.331 6.759 1.00 0.00 H new ATOM 0 HA ALA B 44 16.235 -8.876 5.260 1.00 0.00 H new ATOM 0 HB1 ALA B 44 13.824 -8.366 5.113 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.373 -8.464 6.803 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.087 -6.877 6.051 1.00 0.00 H new ATOM 702 N ALA B 45 15.408 -7.693 3.040 1.00 0.00 N ATOM 703 CA ALA B 45 15.387 -7.072 1.717 1.00 0.00 C ATOM 704 C ALA B 45 14.482 -5.841 1.708 1.00 0.00 C ATOM 705 O ALA B 45 14.354 -5.154 0.697 1.00 0.00 O ATOM 706 CB ALA B 45 14.923 -8.077 0.674 1.00 0.00 C ATOM 0 H ALA B 45 14.934 -8.595 3.086 1.00 0.00 H new ATOM 0 HA ALA B 45 16.399 -6.751 1.472 1.00 0.00 H new ATOM 0 HB1 ALA B 45 14.911 -7.603 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.605 -8.927 0.659 1.00 0.00 H new ATOM 0 HB3 ALA B 45 13.919 -8.422 0.922 1.00 0.00 H new ATOM 712 N TYR B 46 13.838 -5.603 2.839 1.00 0.00 N ATOM 713 CA TYR B 46 12.986 -4.448 3.052 1.00 0.00 C ATOM 714 C TYR B 46 13.082 -4.049 4.517 1.00 0.00 C ATOM 715 O TYR B 46 13.151 -4.911 5.390 1.00 0.00 O ATOM 716 CB TYR B 46 11.539 -4.783 2.664 1.00 0.00 C ATOM 717 CG TYR B 46 11.240 -6.262 2.742 1.00 0.00 C ATOM 718 CD1 TYR B 46 11.092 -6.901 3.966 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.149 -7.026 1.586 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.853 -8.257 4.034 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.917 -8.383 1.647 1.00 0.00 C ATOM 722 CZ TYR B 46 10.770 -8.994 2.872 1.00 0.00 C ATOM 723 OH TYR B 46 10.548 -10.347 2.936 1.00 0.00 O ATOM 0 H TYR B 46 13.895 -6.220 3.649 1.00 0.00 H new ATOM 0 HA TYR B 46 13.310 -3.615 2.428 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.857 -4.244 3.322 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.349 -4.431 1.650 1.00 0.00 H new ATOM 0 HD1 TYR B 46 11.165 -6.327 4.878 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.262 -6.549 0.624 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.731 -8.739 4.993 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.851 -8.964 0.739 1.00 0.00 H new ATOM 0 HH TYR B 46 11.125 -10.804 2.289 1.00 0.00 H new ATOM 733 N LYS B 47 13.119 -2.756 4.780 1.00 0.00 N ATOM 734 CA LYS B 47 13.309 -2.261 6.136 1.00 0.00 C ATOM 735 C LYS B 47 11.959 -1.987 6.773 1.00 0.00 C ATOM 736 O LYS B 47 11.822 -1.965 7.999 1.00 0.00 O ATOM 737 CB LYS B 47 14.154 -0.977 6.151 1.00 0.00 C ATOM 738 CG LYS B 47 15.588 -1.146 5.653 1.00 0.00 C ATOM 739 CD LYS B 47 15.657 -1.371 4.146 1.00 0.00 C ATOM 740 CE LYS B 47 15.166 -0.161 3.365 1.00 0.00 C ATOM 741 NZ LYS B 47 15.041 -0.458 1.917 1.00 0.00 N ATOM 0 H LYS B 47 13.020 -2.027 4.074 1.00 0.00 H new ATOM 0 HA LYS B 47 13.841 -3.025 6.703 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.658 -0.225 5.537 1.00 0.00 H new ATOM 0 HB3 LYS B 47 14.182 -0.589 7.169 1.00 0.00 H new ATOM 0 HG2 LYS B 47 16.167 -0.259 5.912 1.00 0.00 H new ATOM 0 HG3 LYS B 47 16.051 -1.990 6.165 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.685 -1.594 3.860 1.00 0.00 H new ATOM 0 HD3 LYS B 47 15.056 -2.241 3.882 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.200 0.157 3.756 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.857 0.670 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 14.820 0.417 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.937 -0.850 1.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.278 -1.149 1.769 1.00 0.00 H new ATOM 755 N LEU B 48 10.971 -1.768 5.926 1.00 0.00 N ATOM 756 CA LEU B 48 9.625 -1.495 6.383 1.00 0.00 C ATOM 757 C LEU B 48 8.619 -2.293 5.561 1.00 0.00 C ATOM 758 O LEU B 48 8.710 -2.356 4.334 1.00 0.00 O ATOM 759 CB LEU B 48 9.331 0.006 6.271 1.00 0.00 C ATOM 760 CG LEU B 48 8.510 0.610 7.419 1.00 0.00 C ATOM 761 CD1 LEU B 48 7.163 -0.065 7.545 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.259 0.502 8.730 1.00 0.00 C ATOM 0 H LEU B 48 11.078 -1.774 4.912 1.00 0.00 H new ATOM 0 HA LEU B 48 9.537 -1.795 7.427 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.279 0.540 6.207 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.801 0.185 5.336 1.00 0.00 H new ATOM 0 HG LEU B 48 8.350 1.663 7.186 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.606 0.385 8.367 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.605 0.060 6.617 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.305 -1.127 7.742 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.658 0.936 9.529 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.454 -0.547 8.952 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.205 1.039 8.654 1.00 0.00 H new ATOM 774 N ARG B 49 7.678 -2.917 6.248 1.00 0.00 N ATOM 775 CA ARG B 49 6.588 -3.621 5.592 1.00 0.00 C ATOM 776 C ARG B 49 5.267 -2.956 5.949 1.00 0.00 C ATOM 777 O ARG B 49 4.938 -2.816 7.125 1.00 0.00 O ATOM 778 CB ARG B 49 6.552 -5.084 6.024 1.00 0.00 C ATOM 779 CG ARG B 49 5.597 -5.942 5.208 1.00 0.00 C ATOM 780 CD ARG B 49 5.298 -7.259 5.907 1.00 0.00 C ATOM 781 NE ARG B 49 4.470 -7.058 7.096 1.00 0.00 N ATOM 782 CZ ARG B 49 4.194 -8.005 7.991 1.00 0.00 C ATOM 783 NH1 ARG B 49 4.710 -9.222 7.872 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.403 -7.726 9.017 1.00 0.00 N ATOM 0 H ARG B 49 7.647 -2.951 7.267 1.00 0.00 H new ATOM 0 HA ARG B 49 6.746 -3.579 4.514 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.556 -5.501 5.947 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.265 -5.136 7.074 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.668 -5.397 5.042 1.00 0.00 H new ATOM 0 HG3 ARG B 49 6.030 -6.139 4.227 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.788 -7.931 5.217 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.233 -7.742 6.191 1.00 0.00 H new ATOM 0 HE ARG B 49 4.077 -6.129 7.250 1.00 0.00 H new ATOM 0 HH11 ARG B 49 5.326 -9.441 7.089 1.00 0.00 H new ATOM 0 HH12 ARG B 49 4.491 -9.939 8.564 1.00 0.00 H new ATOM 0 HH21 ARG B 49 3.009 -6.790 9.118 1.00 0.00 H new ATOM 0 HH22 ARG B 49 3.188 -8.447 9.706 1.00 0.00 H new ATOM 798 N ILE B 50 4.525 -2.530 4.944 1.00 0.00 N ATOM 799 CA ILE B 50 3.238 -1.893 5.173 1.00 0.00 C ATOM 800 C ILE B 50 2.156 -2.714 4.489 1.00 0.00 C ATOM 801 O ILE B 50 2.267 -3.042 3.308 1.00 0.00 O ATOM 802 CB ILE B 50 3.172 -0.424 4.656 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.354 0.430 5.142 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.878 0.226 5.116 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.684 0.105 4.499 1.00 0.00 C ATOM 0 H ILE B 50 4.789 -2.612 3.962 1.00 0.00 H new ATOM 0 HA ILE B 50 3.087 -1.852 6.252 1.00 0.00 H new ATOM 0 HB ILE B 50 3.218 -0.471 3.568 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.125 1.479 4.957 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.450 0.310 6.221 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.837 1.253 4.752 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.030 -0.333 4.721 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.838 0.225 6.205 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.455 0.760 4.906 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.944 -0.933 4.705 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.613 0.254 3.422 1.00 0.00 H new ATOM 817 N LEU B 51 1.127 -3.065 5.234 1.00 0.00 N ATOM 818 CA LEU B 51 0.055 -3.883 4.710 1.00 0.00 C ATOM 819 C LEU B 51 -1.221 -3.074 4.642 1.00 0.00 C ATOM 820 O LEU B 51 -1.702 -2.590 5.661 1.00 0.00 O ATOM 821 CB LEU B 51 -0.156 -5.116 5.591 1.00 0.00 C ATOM 822 CG LEU B 51 0.317 -6.445 4.997 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.481 -6.779 3.751 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.804 -6.401 4.683 1.00 0.00 C ATOM 0 H LEU B 51 1.012 -2.794 6.210 1.00 0.00 H new ATOM 0 HA LEU B 51 0.325 -4.214 3.707 1.00 0.00 H new ATOM 0 HB2 LEU B 51 0.362 -4.957 6.537 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.219 -5.199 5.820 1.00 0.00 H new ATOM 0 HG LEU B 51 0.152 -7.228 5.737 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -0.134 -7.727 3.340 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.538 -6.860 4.006 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.346 -5.991 3.010 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.115 -7.357 4.262 1.00 0.00 H new ATOM 0 HD22 LEU B 51 2.001 -5.606 3.963 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.364 -6.208 5.598 1.00 0.00 H new ATOM 836 N ILE B 52 -1.749 -2.905 3.445 1.00 0.00 N ATOM 837 CA ILE B 52 -3.005 -2.204 3.272 1.00 0.00 C ATOM 838 C ILE B 52 -4.003 -3.116 2.584 1.00 0.00 C ATOM 839 O ILE B 52 -3.932 -3.337 1.377 1.00 0.00 O ATOM 840 CB ILE B 52 -2.856 -0.902 2.450 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.757 -0.007 3.028 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.177 -0.150 2.410 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.385 -0.286 2.457 1.00 0.00 C ATOM 0 H ILE B 52 -1.328 -3.243 2.580 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.356 -1.925 4.266 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.572 -1.176 1.434 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.014 1.036 2.841 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.725 -0.138 4.110 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.058 0.764 1.828 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -4.939 -0.777 1.948 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.482 0.103 3.425 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.342 0.386 2.913 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.107 -1.319 2.667 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.400 -0.126 1.379 1.00 0.00 H new ATOM 855 N GLU B 53 -4.921 -3.658 3.354 1.00 0.00 N ATOM 856 CA GLU B 53 -5.901 -4.578 2.815 1.00 0.00 C ATOM 857 C GLU B 53 -7.268 -3.928 2.776 1.00 0.00 C ATOM 858 O GLU B 53 -7.557 -3.014 3.547 1.00 0.00 O ATOM 859 CB GLU B 53 -5.960 -5.855 3.651 1.00 0.00 C ATOM 860 CG GLU B 53 -6.613 -5.656 5.006 1.00 0.00 C ATOM 861 CD GLU B 53 -6.649 -6.921 5.835 1.00 0.00 C ATOM 862 OE1 GLU B 53 -7.295 -7.897 5.403 1.00 0.00 O ATOM 863 OE2 GLU B 53 -6.049 -6.945 6.929 1.00 0.00 O ATOM 0 H GLU B 53 -5.010 -3.479 4.354 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.600 -4.838 1.800 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.510 -6.617 3.099 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.948 -6.234 3.795 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.073 -4.884 5.554 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.631 -5.292 4.863 1.00 0.00 H new ATOM 870 N ASN B 54 -8.098 -4.395 1.871 1.00 0.00 N ATOM 871 CA ASN B 54 -9.463 -3.919 1.781 1.00 0.00 C ATOM 872 C ASN B 54 -10.374 -4.883 2.502 1.00 0.00 C ATOM 873 O ASN B 54 -10.490 -6.043 2.117 1.00 0.00 O ATOM 874 CB ASN B 54 -9.920 -3.796 0.333 1.00 0.00 C ATOM 875 CG ASN B 54 -11.316 -3.208 0.203 1.00 0.00 C ATOM 876 OD1 ASN B 54 -12.056 -3.548 -0.718 1.00 0.00 O ATOM 877 ND2 ASN B 54 -11.689 -2.322 1.116 1.00 0.00 N ATOM 0 H ASN B 54 -7.852 -5.107 1.183 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.506 -2.931 2.239 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.215 -3.170 -0.214 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -9.901 -4.781 -0.134 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -12.616 -1.899 1.068 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -11.049 -2.063 1.867 1.00 0.00 H new ATOM 884 N LYS B 55 -10.986 -4.416 3.560 1.00 0.00 N ATOM 885 CA LYS B 55 -11.932 -5.218 4.296 1.00 0.00 C ATOM 886 C LYS B 55 -13.144 -4.389 4.677 1.00 0.00 C ATOM 887 O LYS B 55 -13.163 -3.741 5.719 1.00 0.00 O ATOM 888 CB LYS B 55 -11.258 -5.778 5.549 1.00 0.00 C ATOM 889 CG LYS B 55 -10.356 -4.767 6.249 1.00 0.00 C ATOM 890 CD LYS B 55 -9.896 -5.273 7.600 1.00 0.00 C ATOM 891 CE LYS B 55 -11.022 -5.238 8.616 1.00 0.00 C ATOM 892 NZ LYS B 55 -11.359 -3.852 9.033 1.00 0.00 N ATOM 0 H LYS B 55 -10.845 -3.478 3.934 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.266 -6.044 3.668 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.025 -6.115 6.246 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -10.669 -6.653 5.276 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.488 -4.558 5.623 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -10.892 -3.826 6.375 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.525 -6.293 7.501 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.065 -4.664 7.955 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.907 -5.713 8.192 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -10.737 -5.820 9.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -11.680 -3.855 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -10.517 -3.248 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -12.116 -3.481 8.424 1.00 0.00 H new ATOM 906 N ALA B 56 -14.153 -4.397 3.826 1.00 0.00 N ATOM 907 CA ALA B 56 -15.417 -3.778 4.165 1.00 0.00 C ATOM 908 C ALA B 56 -16.576 -4.667 3.746 1.00 0.00 C ATOM 909 O ALA B 56 -16.442 -5.480 2.831 1.00 0.00 O ATOM 910 CB ALA B 56 -15.535 -2.415 3.508 1.00 0.00 C ATOM 0 H ALA B 56 -14.121 -4.823 2.900 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.454 -3.647 5.246 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.491 -1.965 3.774 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.724 -1.774 3.852 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.475 -2.527 2.425 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.729 1.257 -8.408 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.722 1.828 -7.535 1.00 0.00 C ATOM 1029 C PHE B 64 -3.715 2.622 -8.346 1.00 0.00 C ATOM 1030 O PHE B 64 -3.257 2.169 -9.395 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.001 0.728 -6.747 1.00 0.00 C ATOM 1032 CG PHE B 64 -4.858 0.052 -5.716 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -5.652 -1.031 -6.054 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -4.866 0.500 -4.409 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -6.440 -1.653 -5.104 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -5.651 -0.116 -3.453 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.439 -1.195 -3.801 1.00 0.00 C ATOM 0 HA PHE B 64 -5.220 2.494 -6.830 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -3.632 -0.022 -7.446 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.130 1.160 -6.254 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -5.656 -1.394 -7.071 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -4.251 1.343 -4.131 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -7.056 -2.496 -5.380 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -5.648 0.246 -2.435 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.053 -1.680 -3.056 1.00 0.00 H new ATOM 1047 N SER B 65 -3.396 3.814 -7.881 1.00 0.00 N ATOM 1048 CA SER B 65 -2.338 4.600 -8.485 1.00 0.00 C ATOM 1049 C SER B 65 -1.452 5.189 -7.396 1.00 0.00 C ATOM 1050 O SER B 65 -1.572 6.365 -7.051 1.00 0.00 O ATOM 1051 CB SER B 65 -2.927 5.716 -9.352 1.00 0.00 C ATOM 1052 OG SER B 65 -3.750 5.188 -10.382 1.00 0.00 O ATOM 0 H SER B 65 -3.855 4.260 -7.086 1.00 0.00 H new ATOM 0 HA SER B 65 -1.737 3.952 -9.123 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.510 6.394 -8.729 1.00 0.00 H new ATOM 0 HB3 SER B 65 -2.120 6.302 -9.792 1.00 0.00 H new ATOM 0 HG SER B 65 -4.114 5.923 -10.919 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.546 4.371 -6.845 1.00 0.00 N ATOM 1059 CA PRO B 66 0.370 4.805 -5.799 1.00 0.00 C ATOM 1060 C PRO B 66 1.545 5.597 -6.354 1.00 0.00 C ATOM 1061 O PRO B 66 1.970 5.397 -7.497 1.00 0.00 O ATOM 1062 CB PRO B 66 0.847 3.494 -5.180 1.00 0.00 C ATOM 1063 CG PRO B 66 0.746 2.490 -6.278 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.365 2.946 -7.184 1.00 0.00 C ATOM 0 HA PRO B 66 -0.110 5.475 -5.086 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.871 3.579 -4.816 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.228 3.211 -4.328 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.686 2.419 -6.825 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.535 1.499 -5.877 1.00 0.00 H new ATOM 0 HD2 PRO B 66 -0.101 2.817 -8.234 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.278 2.376 -7.012 1.00 0.00 H new ATOM 1072 N SER B 67 2.060 6.509 -5.550 1.00 0.00 N ATOM 1073 CA SER B 67 3.170 7.355 -5.960 1.00 0.00 C ATOM 1074 C SER B 67 3.934 7.858 -4.739 1.00 0.00 C ATOM 1075 O SER B 67 3.350 8.077 -3.675 1.00 0.00 O ATOM 1076 CB SER B 67 2.670 8.545 -6.783 1.00 0.00 C ATOM 1077 OG SER B 67 1.785 8.129 -7.814 1.00 0.00 O ATOM 0 H SER B 67 1.726 6.685 -4.602 1.00 0.00 H new ATOM 0 HA SER B 67 3.839 6.758 -6.579 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.161 9.253 -6.129 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.520 9.069 -7.221 1.00 0.00 H new ATOM 0 HG SER B 67 1.482 8.911 -8.321 1.00 0.00 H new ATOM 1083 N TYR B 68 5.235 8.035 -4.903 1.00 0.00 N ATOM 1084 CA TYR B 68 6.090 8.489 -3.825 1.00 0.00 C ATOM 1085 C TYR B 68 6.570 9.909 -4.081 1.00 0.00 C ATOM 1086 O TYR B 68 7.249 10.185 -5.072 1.00 0.00 O ATOM 1087 CB TYR B 68 7.293 7.554 -3.665 1.00 0.00 C ATOM 1088 CG TYR B 68 8.329 8.067 -2.691 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.048 8.180 -1.335 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.585 8.458 -3.136 1.00 0.00 C ATOM 1091 CE1 TYR B 68 8.991 8.666 -0.452 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.529 8.950 -2.256 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.228 9.052 -0.918 1.00 0.00 C ATOM 1094 OH TYR B 68 11.163 9.558 -0.043 1.00 0.00 O ATOM 0 H TYR B 68 5.723 7.868 -5.783 1.00 0.00 H new ATOM 0 HA TYR B 68 5.508 8.477 -2.904 1.00 0.00 H new ATOM 0 HB2 TYR B 68 6.943 6.578 -3.330 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.762 7.408 -4.638 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.077 7.883 -0.966 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.827 8.376 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.760 8.743 0.600 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.500 9.254 -2.617 1.00 0.00 H new ATOM 0 HH TYR B 68 11.982 9.781 -0.533 1.00 0.00 H new ATOM 1104 N ASN B 69 6.209 10.809 -3.186 1.00 0.00 N ATOM 1105 CA ASN B 69 6.682 12.181 -3.257 1.00 0.00 C ATOM 1106 C ASN B 69 7.850 12.392 -2.303 1.00 0.00 C ATOM 1107 O ASN B 69 7.686 12.347 -1.084 1.00 0.00 O ATOM 1108 CB ASN B 69 5.551 13.176 -2.966 1.00 0.00 C ATOM 1109 CG ASN B 69 4.641 12.744 -1.830 1.00 0.00 C ATOM 1110 OD1 ASN B 69 4.935 13.201 -0.626 1.00 0.00 O flip ATOM 1111 ND2 ASN B 69 3.667 12.022 -2.043 1.00 0.00 N flip ATOM 0 H ASN B 69 5.589 10.616 -2.400 1.00 0.00 H new ATOM 0 HA ASN B 69 7.029 12.366 -4.273 1.00 0.00 H new ATOM 0 HB2 ASN B 69 5.985 14.146 -2.724 1.00 0.00 H new ATOM 0 HB3 ASN B 69 4.954 13.309 -3.868 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.475 11.690 -2.988 1.00 0.00 H new ATOM 0 HD22 ASN B 69 3.052 11.756 -1.274 1.00 0.00 H new ATOM 1118 N PHE B 70 9.027 12.640 -2.878 1.00 0.00 N ATOM 1119 CA PHE B 70 10.269 12.773 -2.113 1.00 0.00 C ATOM 1120 C PHE B 70 10.197 13.957 -1.164 1.00 0.00 C ATOM 1121 O PHE B 70 10.768 13.931 -0.075 1.00 0.00 O ATOM 1122 CB PHE B 70 11.466 12.969 -3.053 1.00 0.00 C ATOM 1123 CG PHE B 70 11.797 11.782 -3.912 1.00 0.00 C ATOM 1124 CD1 PHE B 70 11.038 11.485 -5.033 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.877 10.971 -3.605 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.350 10.400 -5.828 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.195 9.885 -4.399 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.429 9.598 -5.512 1.00 0.00 C ATOM 0 H PHE B 70 9.147 12.754 -3.884 1.00 0.00 H new ATOM 0 HA PHE B 70 10.399 11.855 -1.539 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.265 13.823 -3.700 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.341 13.222 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.194 12.109 -5.287 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.478 11.190 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.750 10.178 -6.698 1.00 0.00 H new ATOM 0 HE2 PHE B 70 14.041 9.262 -4.149 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.673 8.749 -6.133 1.00 0.00 H new ATOM 1138 N ALA B 71 9.479 14.985 -1.593 1.00 0.00 N ATOM 1139 CA ALA B 71 9.358 16.227 -0.840 1.00 0.00 C ATOM 1140 C ALA B 71 8.852 15.987 0.578 1.00 0.00 C ATOM 1141 O ALA B 71 9.350 16.581 1.534 1.00 0.00 O ATOM 1142 CB ALA B 71 8.436 17.177 -1.580 1.00 0.00 C ATOM 0 H ALA B 71 8.963 14.982 -2.473 1.00 0.00 H new ATOM 0 HA ALA B 71 10.350 16.671 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.344 18.107 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.848 17.389 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.452 16.720 -1.688 1.00 0.00 H new ATOM 1148 N GLU B 72 7.870 15.107 0.711 1.00 0.00 N ATOM 1149 CA GLU B 72 7.288 14.818 2.016 1.00 0.00 C ATOM 1150 C GLU B 72 7.629 13.399 2.440 1.00 0.00 C ATOM 1151 O GLU B 72 7.198 12.941 3.495 1.00 0.00 O ATOM 1152 CB GLU B 72 5.769 14.958 1.978 1.00 0.00 C ATOM 1153 CG GLU B 72 5.267 16.127 1.150 1.00 0.00 C ATOM 1154 CD GLU B 72 5.633 17.472 1.743 1.00 0.00 C ATOM 1155 OE1 GLU B 72 5.245 17.742 2.899 1.00 0.00 O ATOM 1156 OE2 GLU B 72 6.293 18.274 1.052 1.00 0.00 O ATOM 0 H GLU B 72 7.461 14.583 -0.063 1.00 0.00 H new ATOM 0 HA GLU B 72 7.701 15.533 2.728 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.341 14.037 1.581 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.401 15.067 2.998 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.679 16.056 0.143 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.183 16.060 1.056 1.00 0.00 H new ATOM 1163 N ASN B 73 8.391 12.720 1.573 1.00 0.00 N ATOM 1164 CA ASN B 73 8.775 11.306 1.737 1.00 0.00 C ATOM 1165 C ASN B 73 7.569 10.436 2.101 1.00 0.00 C ATOM 1166 O ASN B 73 7.623 9.593 3.001 1.00 0.00 O ATOM 1167 CB ASN B 73 9.929 11.115 2.745 1.00 0.00 C ATOM 1168 CG ASN B 73 9.657 11.718 4.106 1.00 0.00 C ATOM 1169 OD1 ASN B 73 10.077 12.836 4.401 1.00 0.00 O ATOM 1170 ND2 ASN B 73 8.951 10.986 4.942 1.00 0.00 N ATOM 0 H ASN B 73 8.766 13.142 0.723 1.00 0.00 H new ATOM 0 HA ASN B 73 9.149 10.974 0.768 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.124 10.049 2.863 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.835 11.561 2.335 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.734 11.342 5.873 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.621 10.063 4.659 1.00 0.00 H new ATOM 1177 N ILE B 74 6.482 10.637 1.372 1.00 0.00 N ATOM 1178 CA ILE B 74 5.251 9.911 1.626 1.00 0.00 C ATOM 1179 C ILE B 74 4.823 9.108 0.402 1.00 0.00 C ATOM 1180 O ILE B 74 4.903 9.588 -0.731 1.00 0.00 O ATOM 1181 CB ILE B 74 4.134 10.887 2.055 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.471 11.459 3.435 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.771 10.202 2.064 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.765 12.749 3.760 1.00 0.00 C ATOM 0 H ILE B 74 6.429 11.299 0.598 1.00 0.00 H new ATOM 0 HA ILE B 74 5.432 9.207 2.439 1.00 0.00 H new ATOM 0 HB ILE B 74 4.077 11.700 1.332 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.218 10.719 4.194 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.547 11.622 3.495 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.007 10.916 2.370 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.543 9.833 1.064 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.788 9.367 2.764 1.00 0.00 H new ATOM 0 HD11 ILE B 74 4.060 13.085 4.754 1.00 0.00 H new ATOM 0 HD12 ILE B 74 4.037 13.507 3.026 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.687 12.590 3.736 1.00 0.00 H new ATOM 1196 N LEU B 75 4.394 7.878 0.646 1.00 0.00 N ATOM 1197 CA LEU B 75 3.920 6.994 -0.403 1.00 0.00 C ATOM 1198 C LEU B 75 2.396 6.947 -0.355 1.00 0.00 C ATOM 1199 O LEU B 75 1.815 6.277 0.494 1.00 0.00 O ATOM 1200 CB LEU B 75 4.534 5.592 -0.205 1.00 0.00 C ATOM 1201 CG LEU B 75 4.280 4.547 -1.308 1.00 0.00 C ATOM 1202 CD1 LEU B 75 2.879 3.963 -1.217 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.515 5.149 -2.683 1.00 0.00 C ATOM 0 H LEU B 75 4.366 7.467 1.579 1.00 0.00 H new ATOM 0 HA LEU B 75 4.225 7.361 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.612 5.709 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.157 5.189 0.735 1.00 0.00 H new ATOM 0 HG LEU B 75 4.989 3.733 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.738 3.230 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU B 75 2.749 3.479 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.144 4.761 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.330 4.394 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.838 5.990 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.546 5.495 -2.757 1.00 0.00 H new ATOM 1215 N TYR B 76 1.748 7.674 -1.243 1.00 0.00 N ATOM 1216 CA TYR B 76 0.297 7.712 -1.249 1.00 0.00 C ATOM 1217 C TYR B 76 -0.242 6.586 -2.125 1.00 0.00 C ATOM 1218 O TYR B 76 0.358 6.240 -3.145 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.207 9.087 -1.723 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.756 9.121 -3.134 1.00 0.00 C ATOM 1221 CD1 TYR B 76 0.076 9.348 -4.220 1.00 0.00 C ATOM 1222 CD2 TYR B 76 -2.111 8.929 -3.374 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -0.428 9.381 -5.507 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -2.620 8.961 -4.657 1.00 0.00 C ATOM 1225 CZ TYR B 76 -1.775 9.187 -5.720 1.00 0.00 C ATOM 1226 OH TYR B 76 -2.278 9.213 -7.002 1.00 0.00 O ATOM 0 H TYR B 76 2.196 8.241 -1.963 1.00 0.00 H new ATOM 0 HA TYR B 76 -0.071 7.563 -0.234 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -0.985 9.426 -1.039 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.613 9.801 -1.652 1.00 0.00 H new ATOM 0 HD1 TYR B 76 1.133 9.501 -4.058 1.00 0.00 H new ATOM 0 HD2 TYR B 76 -2.777 8.752 -2.543 1.00 0.00 H new ATOM 0 HE1 TYR B 76 0.232 9.558 -6.343 1.00 0.00 H new ATOM 0 HE2 TYR B 76 -3.676 8.809 -4.826 1.00 0.00 H new ATOM 0 HH TYR B 76 -2.189 8.325 -7.406 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.358 6.004 -1.705 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.966 4.901 -2.434 1.00 0.00 C ATOM 1238 C ILE B 77 -3.065 5.418 -3.353 1.00 0.00 C ATOM 1239 O ILE B 77 -2.994 5.269 -4.569 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.559 3.851 -1.467 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.465 3.264 -0.565 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.263 2.747 -2.243 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.372 2.533 -1.318 1.00 0.00 C ATOM 0 H ILE B 77 -1.861 6.279 -0.861 1.00 0.00 H new ATOM 0 HA ILE B 77 -1.185 4.426 -3.028 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.293 4.347 -0.833 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -1.016 4.070 0.015 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.924 2.577 0.146 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.674 2.017 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -4.070 3.177 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.550 2.255 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.362 2.148 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.807 1.704 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.116 3.220 -2.009 1.00 0.00 H new ATOM 1255 N ASN B 78 -4.074 6.034 -2.753 1.00 0.00 N ATOM 1256 CA ASN B 78 -5.179 6.634 -3.492 1.00 0.00 C ATOM 1257 C ASN B 78 -5.688 7.841 -2.726 1.00 0.00 C ATOM 1258 O ASN B 78 -5.089 8.238 -1.728 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.332 5.636 -3.705 1.00 0.00 C ATOM 1260 CG ASN B 78 -6.113 4.689 -4.875 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -5.437 5.021 -5.850 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.710 3.509 -4.798 1.00 0.00 N ATOM 0 H ASN B 78 -4.151 6.133 -1.741 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.812 6.931 -4.474 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -6.467 5.051 -2.795 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -7.256 6.191 -3.866 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -6.618 2.840 -5.562 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -7.262 3.269 -3.974 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.803 8.408 -3.165 1.00 0.00 N ATOM 1270 CA GLY B 79 -7.398 9.526 -2.452 1.00 0.00 C ATOM 1271 C GLY B 79 -8.071 9.089 -1.165 1.00 0.00 C ATOM 1272 O GLY B 79 -8.651 9.900 -0.446 1.00 0.00 O ATOM 0 H GLY B 79 -7.308 8.116 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -6.627 10.262 -2.225 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -8.129 10.017 -3.094 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.975 7.801 -0.872 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.575 7.227 0.317 1.00 0.00 C ATOM 1278 C LYS B 80 -7.624 7.381 1.482 1.00 0.00 C ATOM 1279 O LYS B 80 -8.008 7.795 2.575 1.00 0.00 O ATOM 1280 CB LYS B 80 -8.853 5.740 0.093 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.649 5.452 -1.164 1.00 0.00 C ATOM 1282 CD LYS B 80 -11.093 5.894 -1.019 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.890 5.651 -2.292 1.00 0.00 C ATOM 1284 NZ LYS B 80 -11.466 6.549 -3.397 1.00 0.00 N ATOM 0 H LYS B 80 -7.478 7.126 -1.454 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.511 7.743 0.530 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -7.904 5.206 0.042 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.394 5.347 0.953 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -9.193 5.965 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -9.614 4.385 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -11.556 5.356 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -11.125 6.954 -0.767 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -11.769 4.613 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -12.950 5.802 -2.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -12.110 6.433 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -11.493 7.536 -3.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -10.498 6.307 -3.689 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.368 7.057 1.218 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.345 7.068 2.246 1.00 0.00 C ATOM 1300 C LEU B 81 -3.940 7.163 1.658 1.00 0.00 C ATOM 1301 O LEU B 81 -3.692 6.769 0.513 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.473 5.834 3.153 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.799 4.501 2.462 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.722 4.106 1.466 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -5.965 3.411 3.498 1.00 0.00 C ATOM 0 H LEU B 81 -6.034 6.782 0.294 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.503 7.963 2.848 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.537 5.714 3.699 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.250 6.033 3.891 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.731 4.631 1.912 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -4.989 3.158 0.998 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.634 4.877 0.700 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.769 3.999 1.984 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.196 2.469 3.001 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.041 3.305 4.066 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.778 3.673 4.175 1.00 0.00 H new ATOM 1317 N SER B 82 -3.035 7.712 2.446 1.00 0.00 N ATOM 1318 CA SER B 82 -1.637 7.805 2.069 1.00 0.00 C ATOM 1319 C SER B 82 -0.769 7.152 3.139 1.00 0.00 C ATOM 1320 O SER B 82 -1.129 7.148 4.318 1.00 0.00 O ATOM 1321 CB SER B 82 -1.248 9.271 1.870 1.00 0.00 C ATOM 1322 OG SER B 82 -1.619 10.058 2.994 1.00 0.00 O ATOM 0 H SER B 82 -3.247 8.105 3.363 1.00 0.00 H new ATOM 0 HA SER B 82 -1.479 7.278 1.128 1.00 0.00 H new ATOM 0 HB2 SER B 82 -0.173 9.346 1.709 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.732 9.660 0.974 1.00 0.00 H new ATOM 0 HG SER B 82 -1.357 10.990 2.841 1.00 0.00 H new ATOM 1328 N ILE B 83 0.353 6.577 2.734 1.00 0.00 N ATOM 1329 CA ILE B 83 1.250 5.922 3.672 1.00 0.00 C ATOM 1330 C ILE B 83 2.492 6.777 3.908 1.00 0.00 C ATOM 1331 O ILE B 83 3.393 6.827 3.068 1.00 0.00 O ATOM 1332 CB ILE B 83 1.677 4.527 3.164 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.444 3.665 2.861 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.576 3.836 4.182 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.483 3.482 4.043 1.00 0.00 C ATOM 0 H ILE B 83 0.663 6.551 1.763 1.00 0.00 H new ATOM 0 HA ILE B 83 0.708 5.799 4.610 1.00 0.00 H new ATOM 0 HB ILE B 83 2.242 4.656 2.241 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.113 4.121 2.042 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.774 2.685 2.516 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.866 2.855 3.805 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.469 4.439 4.348 1.00 0.00 H new ATOM 0 HG23 ILE B 83 2.038 3.719 5.123 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.330 2.862 3.749 1.00 0.00 H new ATOM 0 HD12 ILE B 83 0.056 2.997 4.857 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.844 4.455 4.376 1.00 0.00 H new ATOM 1347 N PRO B 84 2.548 7.484 5.043 1.00 0.00 N ATOM 1348 CA PRO B 84 3.705 8.302 5.390 1.00 0.00 C ATOM 1349 C PRO B 84 4.884 7.450 5.831 1.00 0.00 C ATOM 1350 O PRO B 84 4.742 6.546 6.660 1.00 0.00 O ATOM 1351 CB PRO B 84 3.201 9.174 6.535 1.00 0.00 C ATOM 1352 CG PRO B 84 2.104 8.387 7.165 1.00 0.00 C ATOM 1353 CD PRO B 84 1.494 7.547 6.072 1.00 0.00 C ATOM 0 HA PRO B 84 4.072 8.882 4.543 1.00 0.00 H new ATOM 0 HB2 PRO B 84 3.996 9.385 7.250 1.00 0.00 H new ATOM 0 HB3 PRO B 84 2.838 10.135 6.169 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.490 7.758 7.967 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.358 9.047 7.608 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.228 6.553 6.433 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.582 7.999 5.682 1.00 0.00 H new ATOM 1361 N LEU B 85 6.043 7.737 5.273 1.00 0.00 N ATOM 1362 CA LEU B 85 7.223 6.938 5.535 1.00 0.00 C ATOM 1363 C LEU B 85 8.130 7.649 6.527 1.00 0.00 C ATOM 1364 O LEU B 85 8.189 8.878 6.550 1.00 0.00 O ATOM 1365 CB LEU B 85 7.958 6.676 4.221 1.00 0.00 C ATOM 1366 CG LEU B 85 7.090 6.067 3.119 1.00 0.00 C ATOM 1367 CD1 LEU B 85 7.886 5.919 1.838 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.526 4.722 3.558 1.00 0.00 C ATOM 0 H LEU B 85 6.193 8.518 4.635 1.00 0.00 H new ATOM 0 HA LEU B 85 6.927 5.984 5.972 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.376 7.616 3.859 1.00 0.00 H new ATOM 0 HB3 LEU B 85 8.797 6.008 4.416 1.00 0.00 H new ATOM 0 HG LEU B 85 6.254 6.741 2.930 1.00 0.00 H new ATOM 0 HD11 LEU B 85 7.253 5.484 1.064 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.236 6.898 1.512 1.00 0.00 H new ATOM 0 HD13 LEU B 85 8.742 5.268 2.015 1.00 0.00 H new ATOM 0 HD21 LEU B 85 5.912 4.307 2.759 1.00 0.00 H new ATOM 0 HD22 LEU B 85 7.346 4.038 3.778 1.00 0.00 H new ATOM 0 HD23 LEU B 85 5.916 4.857 4.451 1.00 0.00 H new ATOM 1380 N PRO B 86 8.833 6.887 7.374 1.00 0.00 N ATOM 1381 CA PRO B 86 9.740 7.458 8.363 1.00 0.00 C ATOM 1382 C PRO B 86 10.964 8.085 7.708 1.00 0.00 C ATOM 1383 O PRO B 86 11.535 7.532 6.767 1.00 0.00 O ATOM 1384 CB PRO B 86 10.139 6.261 9.230 1.00 0.00 C ATOM 1385 CG PRO B 86 9.934 5.070 8.361 1.00 0.00 C ATOM 1386 CD PRO B 86 8.804 5.414 7.428 1.00 0.00 C ATOM 0 HA PRO B 86 9.274 8.261 8.934 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.176 6.338 9.556 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.526 6.203 10.129 1.00 0.00 H new ATOM 0 HG2 PRO B 86 10.841 4.836 7.803 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.691 4.191 8.958 1.00 0.00 H new ATOM 0 HD2 PRO B 86 8.951 4.974 6.442 1.00 0.00 H new ATOM 0 HD3 PRO B 86 7.849 5.046 7.802 1.00 0.00 H new ATOM 1394 N ARG B 87 11.377 9.231 8.233 1.00 0.00 N ATOM 1395 CA ARG B 87 12.489 9.992 7.672 1.00 0.00 C ATOM 1396 C ARG B 87 13.814 9.303 7.977 1.00 0.00 C ATOM 1397 O ARG B 87 14.877 9.751 7.547 1.00 0.00 O ATOM 1398 CB ARG B 87 12.515 11.422 8.236 1.00 0.00 C ATOM 1399 CG ARG B 87 11.472 12.364 7.643 1.00 0.00 C ATOM 1400 CD ARG B 87 10.051 11.896 7.914 1.00 0.00 C ATOM 1401 NE ARG B 87 9.776 11.768 9.342 1.00 0.00 N ATOM 1402 CZ ARG B 87 8.757 11.076 9.845 1.00 0.00 C ATOM 1403 NH1 ARG B 87 7.886 10.486 9.038 1.00 0.00 N ATOM 1404 NH2 ARG B 87 8.606 10.981 11.158 1.00 0.00 N ATOM 0 H ARG B 87 10.954 9.659 9.056 1.00 0.00 H new ATOM 0 HA ARG B 87 12.348 10.041 6.592 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.369 11.374 9.315 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.505 11.846 8.067 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.609 13.362 8.059 1.00 0.00 H new ATOM 0 HG3 ARG B 87 11.627 12.443 6.567 1.00 0.00 H new ATOM 0 HD2 ARG B 87 9.347 12.601 7.472 1.00 0.00 H new ATOM 0 HD3 ARG B 87 9.888 10.935 7.427 1.00 0.00 H new ATOM 0 HE ARG B 87 10.404 12.238 9.994 1.00 0.00 H new ATOM 0 HH11 ARG B 87 7.996 10.561 8.027 1.00 0.00 H new ATOM 0 HH12 ARG B 87 7.106 9.957 9.428 1.00 0.00 H new ATOM 0 HH21 ARG B 87 9.271 11.438 11.782 1.00 0.00 H new ATOM 0 HH22 ARG B 87 7.825 10.451 11.545 1.00 0.00 H new ATOM 1418 N ASP B 88 13.732 8.212 8.726 1.00 0.00 N ATOM 1419 CA ASP B 88 14.908 7.444 9.109 1.00 0.00 C ATOM 1420 C ASP B 88 15.323 6.516 7.973 1.00 0.00 C ATOM 1421 O ASP B 88 16.427 5.968 7.964 1.00 0.00 O ATOM 1422 CB ASP B 88 14.608 6.633 10.375 1.00 0.00 C ATOM 1423 CG ASP B 88 15.833 5.944 10.937 1.00 0.00 C ATOM 1424 OD1 ASP B 88 16.676 6.633 11.548 1.00 0.00 O ATOM 1425 OD2 ASP B 88 15.951 4.709 10.794 1.00 0.00 O ATOM 0 H ASP B 88 12.854 7.836 9.083 1.00 0.00 H new ATOM 0 HA ASP B 88 15.730 8.130 9.314 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.189 7.294 11.133 1.00 0.00 H new ATOM 0 HB3 ASP B 88 13.848 5.885 10.150 1.00 0.00 H new ATOM 1430 N ILE B 89 14.434 6.364 7.005 1.00 0.00 N ATOM 1431 CA ILE B 89 14.667 5.467 5.887 1.00 0.00 C ATOM 1432 C ILE B 89 14.830 6.250 4.596 1.00 0.00 C ATOM 1433 O ILE B 89 14.062 7.171 4.317 1.00 0.00 O ATOM 1434 CB ILE B 89 13.497 4.475 5.721 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.284 3.691 7.015 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.748 3.524 4.558 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.129 2.724 6.949 1.00 0.00 C ATOM 0 H ILE B 89 13.540 6.854 6.972 1.00 0.00 H new ATOM 0 HA ILE B 89 15.582 4.914 6.099 1.00 0.00 H new ATOM 0 HB ILE B 89 12.594 5.045 5.501 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.195 3.141 7.251 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.114 4.393 7.832 1.00 0.00 H new ATOM 0 HG21 ILE B 89 12.908 2.836 4.463 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.854 4.096 3.636 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.662 2.959 4.741 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.036 2.202 7.902 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.208 3.270 6.743 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.306 1.999 6.154 1.00 0.00 H new ATOM 1449 N VAL B 90 15.832 5.885 3.817 1.00 0.00 N ATOM 1450 CA VAL B 90 15.995 6.448 2.489 1.00 0.00 C ATOM 1451 C VAL B 90 15.191 5.618 1.508 1.00 0.00 C ATOM 1452 O VAL B 90 15.534 4.471 1.219 1.00 0.00 O ATOM 1453 CB VAL B 90 17.469 6.485 2.041 1.00 0.00 C ATOM 1454 CG1 VAL B 90 17.582 7.042 0.627 1.00 0.00 C ATOM 1455 CG2 VAL B 90 18.303 7.308 3.011 1.00 0.00 C ATOM 0 H VAL B 90 16.543 5.203 4.080 1.00 0.00 H new ATOM 0 HA VAL B 90 15.640 7.478 2.515 1.00 0.00 H new ATOM 0 HB VAL B 90 17.855 5.466 2.040 1.00 0.00 H new ATOM 0 HG11 VAL B 90 18.629 7.061 0.326 1.00 0.00 H new ATOM 0 HG12 VAL B 90 17.019 6.409 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.178 8.054 0.601 1.00 0.00 H new ATOM 0 HG21 VAL B 90 19.341 7.322 2.677 1.00 0.00 H new ATOM 0 HG22 VAL B 90 17.919 8.328 3.046 1.00 0.00 H new ATOM 0 HG23 VAL B 90 18.248 6.865 4.005 1.00 0.00 H new ATOM 1465 N VAL B 91 14.113 6.186 1.010 1.00 0.00 N ATOM 1466 CA VAL B 91 13.196 5.442 0.174 1.00 0.00 C ATOM 1467 C VAL B 91 13.079 6.071 -1.205 1.00 0.00 C ATOM 1468 O VAL B 91 12.993 7.288 -1.345 1.00 0.00 O ATOM 1469 CB VAL B 91 11.807 5.322 0.845 1.00 0.00 C ATOM 1470 CG1 VAL B 91 11.342 6.661 1.384 1.00 0.00 C ATOM 1471 CG2 VAL B 91 10.783 4.752 -0.119 1.00 0.00 C ATOM 0 H VAL B 91 13.851 7.159 1.169 1.00 0.00 H new ATOM 0 HA VAL B 91 13.599 4.437 0.051 1.00 0.00 H new ATOM 0 HB VAL B 91 11.905 4.634 1.685 1.00 0.00 H new ATOM 0 HG11 VAL B 91 10.363 6.546 1.850 1.00 0.00 H new ATOM 0 HG12 VAL B 91 12.056 7.023 2.124 1.00 0.00 H new ATOM 0 HG13 VAL B 91 11.272 7.378 0.566 1.00 0.00 H new ATOM 0 HG21 VAL B 91 9.816 4.679 0.379 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.696 5.407 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL B 91 11.100 3.761 -0.443 1.00 0.00 H new ATOM 1481 N ASN B 92 13.109 5.225 -2.219 1.00 0.00 N ATOM 1482 CA ASN B 92 13.007 5.660 -3.602 1.00 0.00 C ATOM 1483 C ASN B 92 12.133 4.696 -4.381 1.00 0.00 C ATOM 1484 O ASN B 92 11.869 3.587 -3.921 1.00 0.00 O ATOM 1485 CB ASN B 92 14.388 5.754 -4.257 1.00 0.00 C ATOM 1486 CG ASN B 92 15.473 5.048 -3.472 1.00 0.00 C ATOM 1487 OD1 ASN B 92 15.517 3.734 -3.585 1.00 0.00 O flip ATOM 1488 ND2 ASN B 92 16.238 5.676 -2.742 1.00 0.00 N flip ATOM 0 H ASN B 92 13.205 4.216 -2.108 1.00 0.00 H new ATOM 0 HA ASN B 92 12.557 6.653 -3.614 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.337 5.327 -5.258 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.657 6.804 -4.372 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.169 6.692 -2.685 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.941 5.181 -2.194 1.00 0.00 H new ATOM 1495 N ALA B 93 11.714 5.115 -5.569 1.00 0.00 N ATOM 1496 CA ALA B 93 10.802 4.331 -6.398 1.00 0.00 C ATOM 1497 C ALA B 93 11.410 2.993 -6.792 1.00 0.00 C ATOM 1498 O ALA B 93 10.700 2.055 -7.150 1.00 0.00 O ATOM 1499 CB ALA B 93 10.429 5.120 -7.641 1.00 0.00 C ATOM 0 H ALA B 93 11.994 6.003 -5.985 1.00 0.00 H new ATOM 0 HA ALA B 93 9.906 4.127 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.749 4.530 -8.256 1.00 0.00 H new ATOM 0 HB2 ALA B 93 9.941 6.050 -7.349 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.329 5.347 -8.212 1.00 0.00 H new ATOM 1505 N ALA B 94 12.726 2.913 -6.714 1.00 0.00 N ATOM 1506 CA ALA B 94 13.443 1.696 -7.072 1.00 0.00 C ATOM 1507 C ALA B 94 13.514 0.732 -5.892 1.00 0.00 C ATOM 1508 O ALA B 94 13.841 -0.445 -6.049 1.00 0.00 O ATOM 1509 CB ALA B 94 14.840 2.040 -7.556 1.00 0.00 C ATOM 0 H ALA B 94 13.325 3.679 -6.405 1.00 0.00 H new ATOM 0 HA ALA B 94 12.898 1.202 -7.876 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.369 1.125 -7.821 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.773 2.687 -8.431 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.383 2.556 -6.764 1.00 0.00 H new ATOM 1515 N ASP B 95 13.202 1.242 -4.712 1.00 0.00 N ATOM 1516 CA ASP B 95 13.281 0.458 -3.484 1.00 0.00 C ATOM 1517 C ASP B 95 11.879 0.088 -3.018 1.00 0.00 C ATOM 1518 O ASP B 95 11.673 -0.889 -2.301 1.00 0.00 O ATOM 1519 CB ASP B 95 14.006 1.275 -2.414 1.00 0.00 C ATOM 1520 CG ASP B 95 14.411 0.470 -1.198 1.00 0.00 C ATOM 1521 OD1 ASP B 95 14.757 -0.721 -1.347 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.442 1.048 -0.093 1.00 0.00 O ATOM 0 H ASP B 95 12.889 2.203 -4.575 1.00 0.00 H new ATOM 0 HA ASP B 95 13.837 -0.462 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.897 1.723 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.361 2.094 -2.097 1.00 0.00 H new ATOM 1527 N ILE B 96 10.922 0.896 -3.447 1.00 0.00 N ATOM 1528 CA ILE B 96 9.515 0.686 -3.149 1.00 0.00 C ATOM 1529 C ILE B 96 8.951 -0.500 -3.930 1.00 0.00 C ATOM 1530 O ILE B 96 8.920 -0.492 -5.162 1.00 0.00 O ATOM 1531 CB ILE B 96 8.731 1.963 -3.497 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.101 3.082 -2.533 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.230 1.719 -3.476 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.690 4.447 -3.023 1.00 0.00 C ATOM 0 H ILE B 96 11.102 1.723 -4.017 1.00 0.00 H new ATOM 0 HA ILE B 96 9.414 0.462 -2.087 1.00 0.00 H new ATOM 0 HB ILE B 96 9.003 2.260 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.630 2.892 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.179 3.071 -2.370 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.708 2.642 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE B 96 6.976 0.949 -4.205 1.00 0.00 H new ATOM 0 HG23 ILE B 96 6.929 1.390 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE B 96 8.982 5.200 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.181 4.655 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.609 4.474 -3.160 1.00 0.00 H new ATOM 1546 N LYS B 97 8.516 -1.521 -3.206 1.00 0.00 N ATOM 1547 CA LYS B 97 7.933 -2.706 -3.820 1.00 0.00 C ATOM 1548 C LYS B 97 6.436 -2.775 -3.512 1.00 0.00 C ATOM 1549 O LYS B 97 6.043 -3.033 -2.375 1.00 0.00 O ATOM 1550 CB LYS B 97 8.630 -3.971 -3.305 1.00 0.00 C ATOM 1551 CG LYS B 97 10.149 -3.866 -3.222 1.00 0.00 C ATOM 1552 CD LYS B 97 10.776 -3.466 -4.553 1.00 0.00 C ATOM 1553 CE LYS B 97 10.462 -4.466 -5.654 1.00 0.00 C ATOM 1554 NZ LYS B 97 11.075 -4.070 -6.948 1.00 0.00 N ATOM 0 H LYS B 97 8.556 -1.553 -2.187 1.00 0.00 H new ATOM 0 HA LYS B 97 8.072 -2.642 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.240 -4.208 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.371 -4.805 -3.958 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.419 -3.134 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.560 -4.824 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.412 -2.481 -4.844 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.856 -3.384 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS B 97 10.827 -5.452 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS B 97 9.382 -4.548 -5.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 10.839 -4.776 -7.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 10.708 -3.141 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 12.108 -4.016 -6.841 1.00 0.00 H new ATOM 1568 N ILE B 98 5.609 -2.526 -4.522 1.00 0.00 N ATOM 1569 CA ILE B 98 4.157 -2.515 -4.349 1.00 0.00 C ATOM 1570 C ILE B 98 3.501 -3.677 -5.100 1.00 0.00 C ATOM 1571 O ILE B 98 3.607 -3.778 -6.328 1.00 0.00 O ATOM 1572 CB ILE B 98 3.553 -1.186 -4.851 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.211 -0.005 -4.136 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.048 -1.162 -4.640 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.678 1.341 -4.571 1.00 0.00 C ATOM 0 H ILE B 98 5.919 -2.328 -5.473 1.00 0.00 H new ATOM 0 HA ILE B 98 3.959 -2.623 -3.283 1.00 0.00 H new ATOM 0 HB ILE B 98 3.747 -1.102 -5.920 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.064 -0.114 -3.062 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.286 -0.036 -4.315 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.645 -0.216 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.590 -1.985 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.828 -1.268 -3.578 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.191 2.130 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.849 1.472 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.609 1.392 -4.366 1.00 0.00 H new ATOM 1587 N PHE B 99 2.813 -4.542 -4.363 1.00 0.00 N ATOM 1588 CA PHE B 99 2.173 -5.714 -4.950 1.00 0.00 C ATOM 1589 C PHE B 99 0.708 -5.798 -4.535 1.00 0.00 C ATOM 1590 O PHE B 99 0.393 -5.938 -3.353 1.00 0.00 O ATOM 1591 CB PHE B 99 2.886 -6.998 -4.519 1.00 0.00 C ATOM 1592 CG PHE B 99 4.355 -7.047 -4.843 1.00 0.00 C ATOM 1593 CD1 PHE B 99 5.289 -6.580 -3.935 1.00 0.00 C ATOM 1594 CD2 PHE B 99 4.802 -7.578 -6.044 1.00 0.00 C ATOM 1595 CE1 PHE B 99 6.636 -6.637 -4.219 1.00 0.00 C ATOM 1596 CE2 PHE B 99 6.150 -7.634 -6.335 1.00 0.00 C ATOM 1597 CZ PHE B 99 7.069 -7.164 -5.420 1.00 0.00 C ATOM 0 H PHE B 99 2.684 -4.453 -3.355 1.00 0.00 H new ATOM 0 HA PHE B 99 2.237 -5.611 -6.033 1.00 0.00 H new ATOM 0 HB2 PHE B 99 2.762 -7.121 -3.443 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.395 -7.846 -4.996 1.00 0.00 H new ATOM 0 HD1 PHE B 99 4.959 -6.166 -2.994 1.00 0.00 H new ATOM 0 HD2 PHE B 99 4.086 -7.952 -6.761 1.00 0.00 H new ATOM 0 HE1 PHE B 99 7.354 -6.269 -3.501 1.00 0.00 H new ATOM 0 HE2 PHE B 99 6.484 -8.045 -7.276 1.00 0.00 H new ATOM 0 HZ PHE B 99 8.125 -7.208 -5.642 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.183 -5.710 -5.508 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.615 -5.825 -5.246 1.00 0.00 C ATOM 1609 C HIS B 100 -2.112 -7.233 -5.550 1.00 0.00 C ATOM 1610 O HIS B 100 -2.115 -7.661 -6.702 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.407 -4.812 -6.085 1.00 0.00 C ATOM 1612 CG HIS B 100 -3.897 -4.914 -5.914 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.774 -5.075 -6.970 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.666 -4.878 -4.797 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.010 -5.133 -6.509 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -5.969 -5.017 -5.197 1.00 0.00 N ATOM 0 H HIS B 100 0.056 -5.559 -6.488 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.773 -5.613 -4.189 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.088 -3.805 -5.817 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.161 -4.955 -7.137 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.316 -4.762 -3.782 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -6.902 -5.255 -7.105 1.00 0.00 H new ATOM 0 HE2 HIS B 100 -6.779 -5.029 -4.577 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.537 -7.946 -4.520 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.185 -9.233 -4.712 1.00 0.00 C ATOM 1627 C ILE B 101 -4.690 -9.026 -4.825 1.00 0.00 C ATOM 1628 O ILE B 101 -5.313 -8.406 -3.963 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.878 -10.237 -3.572 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.439 -10.753 -3.651 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.837 -11.413 -3.627 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.389 -9.774 -3.197 1.00 0.00 C ATOM 0 H ILE B 101 -2.446 -7.657 -3.546 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.787 -9.665 -5.630 1.00 0.00 H new ATOM 0 HB ILE B 101 -3.004 -9.706 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -1.359 -11.656 -3.046 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -1.227 -11.039 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.607 -12.108 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.860 -11.054 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.733 -11.923 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.597 -10.229 -3.289 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.435 -8.878 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -0.568 -9.505 -2.156 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.262 -9.541 -5.904 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.667 -9.312 -6.216 1.00 0.00 C ATOM 1646 C ARG B 102 -7.571 -10.240 -5.416 1.00 0.00 C ATOM 1647 O ARG B 102 -8.577 -9.807 -4.856 1.00 0.00 O ATOM 1648 CB ARG B 102 -6.917 -9.518 -7.711 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.099 -8.603 -8.607 1.00 0.00 C ATOM 1650 CD ARG B 102 -6.332 -8.913 -10.079 1.00 0.00 C ATOM 1651 NE ARG B 102 -5.933 -10.279 -10.423 1.00 0.00 N ATOM 1652 CZ ARG B 102 -5.805 -10.728 -11.672 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -6.056 -9.930 -12.702 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -5.426 -11.983 -11.888 1.00 0.00 N ATOM 0 H ARG B 102 -4.772 -10.124 -6.582 1.00 0.00 H new ATOM 0 HA ARG B 102 -6.903 -8.283 -5.945 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -6.694 -10.554 -7.967 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -7.976 -9.360 -7.917 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -6.362 -7.564 -8.406 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -5.040 -8.714 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -7.387 -8.773 -10.316 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -5.771 -8.207 -10.691 1.00 0.00 H new ATOM 0 HE ARG B 102 -5.741 -10.928 -9.660 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -6.349 -8.966 -12.541 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -5.956 -10.280 -13.655 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -5.234 -12.601 -11.099 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -5.327 -12.329 -12.842 1.00 0.00 H new ATOM 1668 N LYS B 103 -7.204 -11.513 -5.365 1.00 0.00 N ATOM 1669 CA LYS B 103 -8.005 -12.523 -4.684 1.00 0.00 C ATOM 1670 C LYS B 103 -8.114 -12.223 -3.193 1.00 0.00 C ATOM 1671 O LYS B 103 -9.203 -12.245 -2.623 1.00 0.00 O ATOM 1672 CB LYS B 103 -7.389 -13.906 -4.900 1.00 0.00 C ATOM 1673 CG LYS B 103 -8.171 -15.034 -4.249 1.00 0.00 C ATOM 1674 CD LYS B 103 -7.544 -16.388 -4.537 1.00 0.00 C ATOM 1675 CE LYS B 103 -7.505 -16.682 -6.029 1.00 0.00 C ATOM 1676 NZ LYS B 103 -6.956 -18.031 -6.313 1.00 0.00 N ATOM 0 H LYS B 103 -6.350 -11.874 -5.790 1.00 0.00 H new ATOM 0 HA LYS B 103 -9.010 -12.506 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -7.316 -14.098 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -6.373 -13.906 -4.506 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -8.213 -14.874 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -9.198 -15.023 -4.613 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -6.532 -16.414 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -8.110 -17.167 -4.027 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -8.511 -16.606 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -6.897 -15.930 -6.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -6.946 -18.193 -7.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -5.986 -18.096 -5.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -7.550 -18.751 -5.855 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.981 -11.924 -2.573 1.00 0.00 N ATOM 1691 CA GLU B 104 -6.949 -11.611 -1.151 1.00 0.00 C ATOM 1692 C GLU B 104 -7.339 -10.162 -0.899 1.00 0.00 C ATOM 1693 O GLU B 104 -7.379 -9.717 0.247 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.558 -11.857 -0.566 1.00 0.00 C ATOM 1695 CG GLU B 104 -5.033 -13.261 -0.791 1.00 0.00 C ATOM 1696 CD GLU B 104 -5.938 -14.325 -0.203 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -6.083 -14.373 1.036 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -6.512 -15.117 -0.976 1.00 0.00 O ATOM 0 H GLU B 104 -6.071 -11.892 -3.033 1.00 0.00 H new ATOM 0 HA GLU B 104 -7.669 -12.268 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.860 -11.145 -1.005 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -5.585 -11.658 0.505 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.921 -13.436 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -4.041 -13.349 -0.349 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.614 -9.441 -1.998 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.961 -8.011 -1.977 1.00 0.00 C ATOM 1707 C ARG B 105 -7.043 -7.227 -1.037 1.00 0.00 C ATOM 1708 O ARG B 105 -7.481 -6.332 -0.313 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.451 -7.805 -1.629 1.00 0.00 C ATOM 1710 CG ARG B 105 -9.857 -8.278 -0.240 1.00 0.00 C ATOM 1711 CD ARG B 105 -11.365 -8.375 -0.091 1.00 0.00 C ATOM 1712 NE ARG B 105 -12.032 -7.093 -0.295 1.00 0.00 N ATOM 1713 CZ ARG B 105 -13.307 -6.867 0.010 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -14.045 -7.834 0.543 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -13.840 -5.674 -0.211 1.00 0.00 N ATOM 0 H ARG B 105 -7.601 -9.839 -2.937 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.804 -7.615 -2.980 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.687 -6.745 -1.719 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -10.057 -8.330 -2.367 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -9.410 -9.252 -0.044 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -9.462 -7.590 0.507 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -11.751 -9.100 -0.808 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -11.605 -8.751 0.904 1.00 0.00 H new ATOM 0 HE ARG B 105 -11.490 -6.327 -0.694 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -13.634 -8.751 0.719 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -15.022 -7.660 0.777 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -13.273 -4.929 -0.615 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -14.818 -5.501 0.023 1.00 0.00 H new ATOM 1729 N THR B 106 -5.754 -7.551 -1.083 1.00 0.00 N ATOM 1730 CA THR B 106 -4.788 -6.971 -0.165 1.00 0.00 C ATOM 1731 C THR B 106 -3.608 -6.371 -0.926 1.00 0.00 C ATOM 1732 O THR B 106 -3.165 -6.918 -1.940 1.00 0.00 O ATOM 1733 CB THR B 106 -4.284 -8.030 0.843 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.384 -8.557 1.596 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.260 -7.442 1.800 1.00 0.00 C ATOM 0 H THR B 106 -5.357 -8.214 -1.749 1.00 0.00 H new ATOM 0 HA THR B 106 -5.288 -6.175 0.386 1.00 0.00 H new ATOM 0 HB THR B 106 -3.808 -8.828 0.273 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.916 -9.151 1.026 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.927 -8.213 2.495 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.406 -7.069 1.235 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.712 -6.622 2.358 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.118 -5.236 -0.446 1.00 0.00 N ATOM 1744 CA LEU B 107 -1.998 -4.556 -1.074 1.00 0.00 C ATOM 1745 C LEU B 107 -0.774 -4.592 -0.162 1.00 0.00 C ATOM 1746 O LEU B 107 -0.805 -4.084 0.961 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.383 -3.109 -1.404 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.287 -2.264 -2.057 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -0.797 -2.916 -3.335 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -1.804 -0.869 -2.354 1.00 0.00 C ATOM 0 H LEU B 107 -3.483 -4.766 0.382 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.747 -5.071 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.248 -3.125 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -2.696 -2.617 -0.483 1.00 0.00 H new ATOM 0 HG LEU B 107 -0.452 -2.193 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -0.018 -2.299 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -0.393 -3.903 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.627 -3.016 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -1.014 -0.279 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -2.655 -0.933 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -2.115 -0.391 -1.425 1.00 0.00 H new ATOM 1762 N TYR B 108 0.290 -5.216 -0.647 1.00 0.00 N ATOM 1763 CA TYR B 108 1.526 -5.341 0.115 1.00 0.00 C ATOM 1764 C TYR B 108 2.545 -4.287 -0.303 1.00 0.00 C ATOM 1765 O TYR B 108 2.798 -4.086 -1.494 1.00 0.00 O ATOM 1766 CB TYR B 108 2.127 -6.733 -0.077 1.00 0.00 C ATOM 1767 CG TYR B 108 1.264 -7.854 0.453 1.00 0.00 C ATOM 1768 CD1 TYR B 108 0.113 -8.248 -0.213 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.609 -8.523 1.617 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.670 -9.274 0.266 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.830 -9.551 2.105 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.309 -9.923 1.427 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.085 -10.954 1.906 1.00 0.00 O ATOM 0 H TYR B 108 0.322 -5.647 -1.571 1.00 0.00 H new ATOM 0 HA TYR B 108 1.283 -5.189 1.167 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.305 -6.897 -1.140 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.097 -6.770 0.418 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.174 -7.741 -1.123 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.503 -8.234 2.151 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.563 -9.569 -0.265 1.00 0.00 H new ATOM 0 HE2 TYR B 108 1.112 -10.061 3.014 1.00 0.00 H new ATOM 0 HH TYR B 108 -0.690 -11.304 2.732 1.00 0.00 H new ATOM 1783 N ILE B 109 3.119 -3.616 0.689 1.00 0.00 N ATOM 1784 CA ILE B 109 4.164 -2.627 0.462 1.00 0.00 C ATOM 1785 C ILE B 109 5.445 -3.043 1.183 1.00 0.00 C ATOM 1786 O ILE B 109 5.439 -3.259 2.398 1.00 0.00 O ATOM 1787 CB ILE B 109 3.742 -1.237 0.987 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.375 -0.826 0.426 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.796 -0.188 0.652 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.340 -0.692 -1.080 1.00 0.00 C ATOM 0 H ILE B 109 2.873 -3.742 1.671 1.00 0.00 H new ATOM 0 HA ILE B 109 4.333 -2.570 -0.613 1.00 0.00 H new ATOM 0 HB ILE B 109 3.656 -1.303 2.072 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.632 -1.563 0.732 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.083 0.125 0.871 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.477 0.783 1.032 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.744 -0.464 1.114 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.922 -0.131 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.339 -0.399 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE B 109 3.057 0.067 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.599 -1.647 -1.536 1.00 0.00 H new ATOM 1802 N TYR B 110 6.533 -3.171 0.439 1.00 0.00 N ATOM 1803 CA TYR B 110 7.828 -3.485 1.028 1.00 0.00 C ATOM 1804 C TYR B 110 8.843 -2.415 0.646 1.00 0.00 C ATOM 1805 O TYR B 110 8.957 -2.054 -0.525 1.00 0.00 O ATOM 1806 CB TYR B 110 8.324 -4.857 0.560 1.00 0.00 C ATOM 1807 CG TYR B 110 7.420 -6.012 0.939 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.350 -6.374 0.132 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.645 -6.746 2.098 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.529 -7.432 0.469 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.831 -7.807 2.439 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.774 -8.146 1.621 1.00 0.00 C ATOM 1813 OH TYR B 110 4.961 -9.202 1.958 1.00 0.00 O ATOM 0 H TYR B 110 6.546 -3.062 -0.575 1.00 0.00 H new ATOM 0 HA TYR B 110 7.714 -3.510 2.112 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.435 -4.839 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.314 -5.034 0.979 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.157 -5.819 -0.774 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.470 -6.482 2.742 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.698 -7.698 -0.168 1.00 0.00 H new ATOM 0 HE2 TYR B 110 7.021 -8.369 3.342 1.00 0.00 H new ATOM 0 HH TYR B 110 5.190 -9.517 2.857 1.00 0.00 H new ATOM 1823 N ILE B 111 9.558 -1.897 1.633 1.00 0.00 N ATOM 1824 CA ILE B 111 10.557 -0.866 1.392 1.00 0.00 C ATOM 1825 C ILE B 111 11.827 -1.182 2.171 1.00 0.00 C ATOM 1826 O ILE B 111 11.882 -0.871 3.375 1.00 0.00 O ATOM 1827 CB ILE B 111 10.045 0.540 1.789 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.745 0.865 1.044 1.00 0.00 C ATOM 1829 CG2 ILE B 111 11.104 1.597 1.492 1.00 0.00 C ATOM 1830 CD1 ILE B 111 8.118 2.180 1.452 1.00 0.00 C ATOM 1831 OXT ILE B 111 12.758 -1.769 1.583 1.00 0.00 O ATOM 0 H ILE B 111 9.465 -2.174 2.610 1.00 0.00 H new ATOM 0 HA ILE B 111 10.767 -0.857 0.322 1.00 0.00 H new ATOM 0 HB ILE B 111 9.843 0.544 2.860 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.947 0.887 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE B 111 8.028 0.062 1.217 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.728 2.579 1.777 1.00 0.00 H new ATOM 0 HG22 ILE B 111 12.008 1.376 2.060 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.334 1.592 0.427 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.203 2.339 0.882 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.883 2.156 2.516 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.816 2.993 1.253 1.00 0.00 H new