USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 866 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 MET CE :methyl -170:sc= -5.24! (180deg=-5.45!) USER MOD Set 1.2: A 88 SER OG : rot 180:sc= -0.703 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0413 K(o=-0.041,f=-1.7!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0.037) USER MOD Single : A 33 LYS NZ :NH3+ -122:sc=-0.00605 (180deg=-0.321) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.034 X(o=-0.034,f=-0.02) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.616 K(o=-0.62,f=-6.4!) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.0117 (180deg=-0.172) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -120:sc= 1.4 USER MOD Single : A 59 ASN : amide:sc= -0.955 K(o=-0.96,f=-4!) USER MOD Single : A 70 MET CE :methyl 145:sc= -2.2! (180deg=-2.49!) USER MOD Single : A 80 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.1) USER MOD Single : A 81 ASN : amide:sc= -0.758 K(o=-0.76,f=-4.5!) USER MOD Single : A 82 GLN : amide:sc= -0.084 X(o=-0.084,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -2.82! X(o=-2.8!,f=-3.2) USER MOD Single : A 90 GLN : amide:sc= -0.188 K(o=-0.19,f=-2.3!) USER MOD Single : A 91 ASN : amide:sc= -0.613 K(o=-0.61,f=-3.3!) USER MOD Single : A 93 SER OG : rot -54:sc= 1.14 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -19:sc= 1.02 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0149) USER MOD Single : A 110 ASN : amide:sc= -1.59 K(o=-1.6,f=-9.9!) USER MOD Single : A 115 ASN : amide:sc= -0.0861 K(o=-0.086,f=-1.1) USER MOD Single : A 116 GLN : amide:sc= -0.0371 K(o=-0.037,f=-1.5!) USER MOD Single : A 117 MET CE :methyl -144:sc= -3.27! (180deg=-6.15!) USER MOD ----------------------------------------------------------------- ATOM 88 N PHE A 10 1.498 -11.764 11.242 1.00 0.00 N ATOM 89 CA PHE A 10 1.032 -10.483 10.724 1.00 0.00 C ATOM 90 C PHE A 10 1.220 -9.378 11.759 1.00 0.00 C ATOM 91 O PHE A 10 0.678 -8.281 11.619 1.00 0.00 O ATOM 92 CB PHE A 10 -0.442 -10.577 10.325 1.00 0.00 C ATOM 93 CG PHE A 10 -0.685 -11.457 9.132 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.561 -10.954 7.847 1.00 0.00 C ATOM 95 CD2 PHE A 10 -1.037 -12.787 9.295 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.785 -11.761 6.747 1.00 0.00 C ATOM 97 CE2 PHE A 10 -1.261 -13.599 8.200 1.00 0.00 C ATOM 98 CZ PHE A 10 -1.134 -13.086 6.924 1.00 0.00 C ATOM 0 HA PHE A 10 1.625 -10.237 9.843 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.015 -10.958 11.170 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.817 -9.576 10.111 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.286 -9.920 7.703 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.138 -13.194 10.290 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.687 -11.356 5.751 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.535 -14.634 8.342 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.307 -13.719 6.066 1.00 0.00 H new ATOM 108 N THR A 11 1.994 -9.674 12.798 1.00 0.00 N ATOM 109 CA THR A 11 2.254 -8.707 13.858 1.00 0.00 C ATOM 110 C THR A 11 3.226 -7.629 13.392 1.00 0.00 C ATOM 111 O THR A 11 4.205 -7.919 12.703 1.00 0.00 O ATOM 112 CB THR A 11 2.826 -9.391 15.114 1.00 0.00 C ATOM 113 OG1 THR A 11 3.851 -10.318 14.743 1.00 0.00 O ATOM 114 CG2 THR A 11 1.731 -10.117 15.881 1.00 0.00 C ATOM 0 H THR A 11 2.452 -10.576 12.928 1.00 0.00 H new ATOM 0 HA THR A 11 1.298 -8.247 14.108 1.00 0.00 H new ATOM 0 HB THR A 11 3.250 -8.621 15.759 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.211 -10.747 15.547 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.159 -10.592 16.764 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.967 -9.403 16.188 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.282 -10.877 15.242 1.00 0.00 H new ATOM 122 N ASP A 12 2.951 -6.387 13.773 1.00 0.00 N ATOM 123 CA ASP A 12 3.804 -5.265 13.396 1.00 0.00 C ATOM 124 C ASP A 12 5.277 -5.653 13.473 1.00 0.00 C ATOM 125 O ASP A 12 6.006 -5.555 12.486 1.00 0.00 O ATOM 126 CB ASP A 12 3.532 -4.063 14.302 1.00 0.00 C ATOM 127 CG ASP A 12 3.112 -4.475 15.699 1.00 0.00 C ATOM 128 OD1 ASP A 12 2.008 -5.041 15.845 1.00 0.00 O ATOM 129 OD2 ASP A 12 3.887 -4.231 16.647 1.00 0.00 O ATOM 0 H ASP A 12 2.144 -6.131 14.343 1.00 0.00 H new ATOM 0 HA ASP A 12 3.572 -4.994 12.366 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.429 -3.447 14.362 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.751 -3.446 13.858 1.00 0.00 H new ATOM 134 N GLN A 13 5.708 -6.091 14.651 1.00 0.00 N ATOM 135 CA GLN A 13 7.095 -6.491 14.857 1.00 0.00 C ATOM 136 C GLN A 13 7.573 -7.396 13.726 1.00 0.00 C ATOM 137 O GLN A 13 8.701 -7.268 13.248 1.00 0.00 O ATOM 138 CB GLN A 13 7.248 -7.208 16.199 1.00 0.00 C ATOM 139 CG GLN A 13 6.360 -8.434 16.339 1.00 0.00 C ATOM 140 CD GLN A 13 6.482 -9.091 17.700 1.00 0.00 C ATOM 141 OE1 GLN A 13 5.527 -9.119 18.476 1.00 0.00 O ATOM 142 NE2 GLN A 13 7.662 -9.624 17.996 1.00 0.00 N ATOM 0 H GLN A 13 5.117 -6.178 15.478 1.00 0.00 H new ATOM 0 HA GLN A 13 7.709 -5.591 14.863 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.289 -7.507 16.325 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.018 -6.509 17.003 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.322 -8.147 16.170 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.621 -9.157 15.566 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.426 -9.578 17.322 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.804 -10.080 18.897 1.00 0.00 H new ATOM 151 N LYS A 14 6.710 -8.313 13.303 1.00 0.00 N ATOM 152 CA LYS A 14 7.042 -9.240 12.228 1.00 0.00 C ATOM 153 C LYS A 14 6.983 -8.544 10.872 1.00 0.00 C ATOM 154 O LYS A 14 7.759 -8.858 9.969 1.00 0.00 O ATOM 155 CB LYS A 14 6.086 -10.434 12.243 1.00 0.00 C ATOM 156 CG LYS A 14 6.482 -11.518 13.231 1.00 0.00 C ATOM 157 CD LYS A 14 7.542 -12.440 12.653 1.00 0.00 C ATOM 158 CE LYS A 14 8.336 -13.133 13.750 1.00 0.00 C ATOM 159 NZ LYS A 14 9.513 -12.326 14.177 1.00 0.00 N ATOM 0 H LYS A 14 5.774 -8.434 13.689 1.00 0.00 H new ATOM 0 HA LYS A 14 8.060 -9.596 12.390 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.083 -10.083 12.485 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.040 -10.865 11.243 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.858 -11.058 14.145 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.602 -12.100 13.505 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.068 -13.188 12.018 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.219 -11.866 12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.689 -13.313 14.608 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.673 -14.107 13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.028 -12.832 14.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.144 -12.175 13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.190 -11.406 14.540 1.00 0.00 H new ATOM 173 N ILE A 15 6.059 -7.599 10.737 1.00 0.00 N ATOM 174 CA ILE A 15 5.901 -6.858 9.491 1.00 0.00 C ATOM 175 C ILE A 15 7.127 -6.000 9.203 1.00 0.00 C ATOM 176 O ILE A 15 7.675 -6.032 8.101 1.00 0.00 O ATOM 177 CB ILE A 15 4.653 -5.956 9.528 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.391 -6.800 9.710 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.563 -5.125 8.256 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.134 -5.978 9.890 1.00 0.00 C ATOM 0 H ILE A 15 5.409 -7.328 11.474 1.00 0.00 H new ATOM 0 HA ILE A 15 5.783 -7.596 8.697 1.00 0.00 H new ATOM 0 HB ILE A 15 4.738 -5.278 10.377 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.270 -7.449 8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.519 -7.448 10.577 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.676 -4.493 8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.451 -4.499 8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.497 -5.787 7.393 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.279 -6.643 10.013 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.235 -5.348 10.774 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.981 -5.350 9.012 1.00 0.00 H new ATOM 192 N ARG A 16 7.556 -5.235 10.202 1.00 0.00 N ATOM 193 CA ARG A 16 8.719 -4.368 10.056 1.00 0.00 C ATOM 194 C ARG A 16 9.983 -5.190 9.821 1.00 0.00 C ATOM 195 O ARG A 16 10.839 -4.813 9.022 1.00 0.00 O ATOM 196 CB ARG A 16 8.889 -3.494 11.300 1.00 0.00 C ATOM 197 CG ARG A 16 9.195 -4.284 12.562 1.00 0.00 C ATOM 198 CD ARG A 16 9.370 -3.368 13.763 1.00 0.00 C ATOM 199 NE ARG A 16 10.159 -3.996 14.820 1.00 0.00 N ATOM 200 CZ ARG A 16 10.247 -3.516 16.055 1.00 0.00 C ATOM 201 NH1 ARG A 16 9.598 -2.408 16.388 1.00 0.00 N ATOM 202 NH2 ARG A 16 10.985 -4.144 16.962 1.00 0.00 N ATOM 0 H ARG A 16 7.115 -5.198 11.121 1.00 0.00 H new ATOM 0 HA ARG A 16 8.557 -3.727 9.190 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.693 -2.780 11.125 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.978 -2.916 11.455 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.387 -4.990 12.756 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.102 -4.870 12.415 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.856 -2.445 13.447 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.391 -3.094 14.156 1.00 0.00 H new ATOM 0 HE ARG A 16 10.670 -4.850 14.597 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.029 -1.922 15.695 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.668 -2.042 17.338 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.486 -4.997 16.711 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.052 -3.774 17.910 1.00 0.00 H new ATOM 216 N GLN A 17 10.092 -6.312 10.524 1.00 0.00 N ATOM 217 CA GLN A 17 11.252 -7.186 10.393 1.00 0.00 C ATOM 218 C GLN A 17 11.199 -7.969 9.085 1.00 0.00 C ATOM 219 O GLN A 17 12.234 -8.320 8.518 1.00 0.00 O ATOM 220 CB GLN A 17 11.326 -8.152 11.577 1.00 0.00 C ATOM 221 CG GLN A 17 12.112 -7.606 12.759 1.00 0.00 C ATOM 222 CD GLN A 17 12.644 -8.702 13.661 1.00 0.00 C ATOM 223 OE1 GLN A 17 12.452 -9.889 13.395 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.316 -8.309 14.737 1.00 0.00 N ATOM 0 H GLN A 17 9.392 -6.638 11.190 1.00 0.00 H new ATOM 0 HA GLN A 17 12.146 -6.562 10.386 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.314 -8.392 11.904 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.784 -9.085 11.247 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.945 -7.007 12.391 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.473 -6.941 13.340 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.451 -7.314 14.919 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.697 -9.002 15.382 1.00 0.00 H new ATOM 233 N ARG A 18 9.987 -8.239 8.612 1.00 0.00 N ATOM 234 CA ARG A 18 9.799 -8.982 7.372 1.00 0.00 C ATOM 235 C ARG A 18 10.223 -8.146 6.168 1.00 0.00 C ATOM 236 O ARG A 18 10.819 -8.660 5.221 1.00 0.00 O ATOM 237 CB ARG A 18 8.336 -9.406 7.223 1.00 0.00 C ATOM 238 CG ARG A 18 7.982 -9.890 5.826 1.00 0.00 C ATOM 239 CD ARG A 18 6.737 -10.763 5.838 1.00 0.00 C ATOM 240 NE ARG A 18 6.882 -11.910 6.730 1.00 0.00 N ATOM 241 CZ ARG A 18 5.965 -12.862 6.858 1.00 0.00 C ATOM 242 NH1 ARG A 18 4.842 -12.804 6.156 1.00 0.00 N ATOM 243 NH2 ARG A 18 6.170 -13.875 7.691 1.00 0.00 N ATOM 0 H ARG A 18 9.121 -7.954 9.069 1.00 0.00 H new ATOM 0 HA ARG A 18 10.426 -9.873 7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.122 -10.200 7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.694 -8.563 7.480 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.820 -9.033 5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.819 -10.453 5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.879 -10.167 6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.530 -11.114 4.827 1.00 0.00 H new ATOM 0 HE ARG A 18 7.734 -11.984 7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.681 -12.027 5.516 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.139 -13.537 6.256 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.032 -13.923 8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.465 -14.606 7.789 1.00 0.00 H new ATOM 257 N TYR A 19 9.910 -6.856 6.211 1.00 0.00 N ATOM 258 CA TYR A 19 10.255 -5.949 5.122 1.00 0.00 C ATOM 259 C TYR A 19 11.400 -5.024 5.526 1.00 0.00 C ATOM 260 O TYR A 19 11.691 -4.043 4.843 1.00 0.00 O ATOM 261 CB TYR A 19 9.036 -5.121 4.714 1.00 0.00 C ATOM 262 CG TYR A 19 7.899 -5.950 4.160 1.00 0.00 C ATOM 263 CD1 TYR A 19 7.990 -6.540 2.906 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.734 -6.144 4.893 1.00 0.00 C ATOM 265 CE1 TYR A 19 6.953 -7.298 2.396 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.693 -6.902 4.391 1.00 0.00 C ATOM 267 CZ TYR A 19 5.807 -7.476 3.143 1.00 0.00 C ATOM 268 OH TYR A 19 4.773 -8.231 2.639 1.00 0.00 O ATOM 0 H TYR A 19 9.418 -6.415 6.988 1.00 0.00 H new ATOM 0 HA TYR A 19 10.579 -6.549 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.680 -4.563 5.580 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.339 -4.388 3.966 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.887 -6.404 2.319 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.641 -5.695 5.871 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.039 -7.748 1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.795 -7.044 4.974 1.00 0.00 H new ATOM 0 HH TYR A 19 4.041 -8.259 3.290 1.00 0.00 H new ATOM 278 N ALA A 20 12.046 -5.346 6.642 1.00 0.00 N ATOM 279 CA ALA A 20 13.160 -4.547 7.137 1.00 0.00 C ATOM 280 C ALA A 20 14.328 -4.568 6.158 1.00 0.00 C ATOM 281 O ALA A 20 15.199 -3.698 6.196 1.00 0.00 O ATOM 282 CB ALA A 20 13.604 -5.049 8.503 1.00 0.00 C ATOM 0 H ALA A 20 11.817 -6.154 7.220 1.00 0.00 H new ATOM 0 HA ALA A 20 12.820 -3.516 7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.437 -4.443 8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.774 -4.975 9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.920 -6.089 8.423 1.00 0.00 H new ATOM 288 N ASP A 21 14.342 -5.567 5.282 1.00 0.00 N ATOM 289 CA ASP A 21 15.404 -5.702 4.292 1.00 0.00 C ATOM 290 C ASP A 21 15.269 -4.642 3.203 1.00 0.00 C ATOM 291 O ASP A 21 16.262 -4.212 2.613 1.00 0.00 O ATOM 292 CB ASP A 21 15.376 -7.098 3.669 1.00 0.00 C ATOM 293 CG ASP A 21 15.681 -8.188 4.677 1.00 0.00 C ATOM 294 OD1 ASP A 21 14.859 -8.396 5.594 1.00 0.00 O ATOM 295 OD2 ASP A 21 16.742 -8.835 4.548 1.00 0.00 O ATOM 0 H ASP A 21 13.629 -6.295 5.238 1.00 0.00 H new ATOM 0 HA ASP A 21 16.359 -5.558 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.394 -7.277 3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.102 -7.145 2.857 1.00 0.00 H new ATOM 300 N LEU A 22 14.036 -4.225 2.940 1.00 0.00 N ATOM 301 CA LEU A 22 13.770 -3.216 1.921 1.00 0.00 C ATOM 302 C LEU A 22 14.573 -1.947 2.189 1.00 0.00 C ATOM 303 O LEU A 22 14.896 -1.617 3.330 1.00 0.00 O ATOM 304 CB LEU A 22 12.277 -2.888 1.877 1.00 0.00 C ATOM 305 CG LEU A 22 11.331 -4.082 1.737 1.00 0.00 C ATOM 306 CD1 LEU A 22 9.903 -3.609 1.515 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.779 -4.986 0.598 1.00 0.00 C ATOM 0 H LEU A 22 13.204 -4.570 3.419 1.00 0.00 H new ATOM 0 HA LEU A 22 14.075 -3.621 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.017 -2.349 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.099 -2.209 1.043 1.00 0.00 H new ATOM 0 HG LEU A 22 11.361 -4.656 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.245 -4.472 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.584 -3.003 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.855 -3.012 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.095 -5.830 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.779 -4.423 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.785 -5.354 0.799 1.00 0.00 H new ATOM 319 N PRO A 23 14.902 -1.216 1.113 1.00 0.00 N ATOM 320 CA PRO A 23 15.668 0.030 1.206 1.00 0.00 C ATOM 321 C PRO A 23 14.867 1.157 1.849 1.00 0.00 C ATOM 322 O PRO A 23 15.344 1.828 2.763 1.00 0.00 O ATOM 323 CB PRO A 23 15.984 0.363 -0.254 1.00 0.00 C ATOM 324 CG PRO A 23 14.902 -0.300 -1.035 1.00 0.00 C ATOM 325 CD PRO A 23 14.550 -1.550 -0.277 1.00 0.00 C ATOM 0 HA PRO A 23 16.553 -0.082 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.991 1.440 -0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 23 16.967 -0.011 -0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.035 0.354 -1.134 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.239 -0.537 -2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.493 -1.796 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.112 -2.411 -0.638 1.00 0.00 H new ATOM 333 N GLY A 24 13.645 1.359 1.364 1.00 0.00 N ATOM 334 CA GLY A 24 12.797 2.406 1.903 1.00 0.00 C ATOM 335 C GLY A 24 12.497 2.208 3.376 1.00 0.00 C ATOM 336 O GLY A 24 13.135 1.393 4.041 1.00 0.00 O ATOM 0 H GLY A 24 13.228 0.816 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.282 3.372 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.861 2.434 1.345 1.00 0.00 H new ATOM 340 N GLU A 25 11.523 2.956 3.886 1.00 0.00 N ATOM 341 CA GLU A 25 11.142 2.859 5.290 1.00 0.00 C ATOM 342 C GLU A 25 9.670 2.484 5.430 1.00 0.00 C ATOM 343 O GLU A 25 8.789 3.184 4.928 1.00 0.00 O ATOM 344 CB GLU A 25 11.413 4.183 6.007 1.00 0.00 C ATOM 345 CG GLU A 25 11.596 4.036 7.508 1.00 0.00 C ATOM 346 CD GLU A 25 13.027 3.713 7.893 1.00 0.00 C ATOM 347 OE1 GLU A 25 13.398 2.521 7.851 1.00 0.00 O ATOM 348 OE2 GLU A 25 13.775 4.652 8.235 1.00 0.00 O ATOM 0 H GLU A 25 10.984 3.635 3.348 1.00 0.00 H new ATOM 0 HA GLU A 25 11.744 2.075 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.308 4.639 5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.586 4.866 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.291 4.960 7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.938 3.248 7.875 1.00 0.00 H new ATOM 355 N LEU A 26 9.410 1.375 6.114 1.00 0.00 N ATOM 356 CA LEU A 26 8.045 0.906 6.320 1.00 0.00 C ATOM 357 C LEU A 26 7.195 1.979 6.993 1.00 0.00 C ATOM 358 O LEU A 26 7.583 2.540 8.019 1.00 0.00 O ATOM 359 CB LEU A 26 8.045 -0.367 7.168 1.00 0.00 C ATOM 360 CG LEU A 26 6.819 -1.270 7.025 1.00 0.00 C ATOM 361 CD1 LEU A 26 6.918 -2.107 5.759 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.668 -2.163 8.247 1.00 0.00 C ATOM 0 H LEU A 26 10.127 0.784 6.535 1.00 0.00 H new ATOM 0 HA LEU A 26 7.612 0.686 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.931 -0.949 6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.141 -0.082 8.216 1.00 0.00 H new ATOM 0 HG LEU A 26 5.933 -0.639 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.037 -2.743 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.976 -1.449 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.812 -2.729 5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.790 -2.798 8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.556 -2.787 8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.550 -1.545 9.137 1.00 0.00 H new ATOM 374 N HIS A 27 6.034 2.259 6.411 1.00 0.00 N ATOM 375 CA HIS A 27 5.127 3.263 6.956 1.00 0.00 C ATOM 376 C HIS A 27 3.721 2.694 7.120 1.00 0.00 C ATOM 377 O HIS A 27 2.962 2.604 6.154 1.00 0.00 O ATOM 378 CB HIS A 27 5.090 4.493 6.049 1.00 0.00 C ATOM 379 CG HIS A 27 6.124 5.521 6.392 1.00 0.00 C ATOM 380 ND1 HIS A 27 5.831 6.860 6.545 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.454 5.401 6.612 1.00 0.00 C ATOM 382 CE1 HIS A 27 6.937 7.519 6.844 1.00 0.00 C ATOM 383 NE2 HIS A 27 7.936 6.656 6.891 1.00 0.00 N ATOM 0 H HIS A 27 5.699 1.805 5.562 1.00 0.00 H new ATOM 0 HA HIS A 27 5.497 3.556 7.938 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.233 4.177 5.016 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.102 4.949 6.109 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.029 4.488 6.575 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.011 8.582 7.020 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.908 6.885 7.101 1.00 0.00 H new ATOM 392 N ILE A 28 3.382 2.312 8.346 1.00 0.00 N ATOM 393 CA ILE A 28 2.067 1.753 8.635 1.00 0.00 C ATOM 394 C ILE A 28 1.112 2.827 9.145 1.00 0.00 C ATOM 395 O ILE A 28 1.269 3.333 10.257 1.00 0.00 O ATOM 396 CB ILE A 28 2.153 0.621 9.677 1.00 0.00 C ATOM 397 CG1 ILE A 28 3.151 -0.445 9.222 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.780 0.007 9.905 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.459 -1.477 10.285 1.00 0.00 C ATOM 0 H ILE A 28 3.999 2.379 9.155 1.00 0.00 H new ATOM 0 HA ILE A 28 1.685 1.346 7.699 1.00 0.00 H new ATOM 0 HB ILE A 28 2.503 1.040 10.620 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.755 -0.950 8.341 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.078 0.042 8.920 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.856 -0.791 10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.095 0.773 10.268 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.404 -0.401 8.967 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.173 -2.201 9.893 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.885 -0.984 11.159 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.541 -1.991 10.570 1.00 0.00 H new ATOM 411 N ILE A 29 0.123 3.169 8.327 1.00 0.00 N ATOM 412 CA ILE A 29 -0.858 4.181 8.697 1.00 0.00 C ATOM 413 C ILE A 29 -2.280 3.670 8.487 1.00 0.00 C ATOM 414 O ILE A 29 -2.573 3.017 7.486 1.00 0.00 O ATOM 415 CB ILE A 29 -0.665 5.476 7.886 1.00 0.00 C ATOM 416 CG1 ILE A 29 -0.899 5.211 6.397 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.728 6.042 8.116 1.00 0.00 C ATOM 418 CD1 ILE A 29 -0.808 6.454 5.540 1.00 0.00 C ATOM 0 H ILE A 29 -0.020 2.760 7.404 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.704 4.398 9.754 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.395 6.211 8.224 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.167 4.484 6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.883 4.761 6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.849 6.957 7.536 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.861 6.263 9.175 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.474 5.312 7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.984 6.191 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.558 7.175 5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.185 6.893 5.640 1.00 0.00 H new ATOM 430 N GLU A 30 -3.159 3.975 9.437 1.00 0.00 N ATOM 431 CA GLU A 30 -4.550 3.547 9.354 1.00 0.00 C ATOM 432 C GLU A 30 -5.420 4.640 8.740 1.00 0.00 C ATOM 433 O GLU A 30 -5.518 5.745 9.275 1.00 0.00 O ATOM 434 CB GLU A 30 -5.078 3.182 10.744 1.00 0.00 C ATOM 435 CG GLU A 30 -4.868 1.722 11.109 1.00 0.00 C ATOM 436 CD GLU A 30 -4.718 1.510 12.603 1.00 0.00 C ATOM 437 OE1 GLU A 30 -5.681 1.803 13.343 1.00 0.00 O ATOM 438 OE2 GLU A 30 -3.639 1.052 13.033 1.00 0.00 O ATOM 0 H GLU A 30 -2.932 4.516 10.272 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.595 2.667 8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.585 3.808 11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.143 3.410 10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.712 1.135 10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.978 1.349 10.602 1.00 0.00 H new ATOM 445 N LEU A 31 -6.049 4.324 7.613 1.00 0.00 N ATOM 446 CA LEU A 31 -6.910 5.278 6.924 1.00 0.00 C ATOM 447 C LEU A 31 -8.348 4.770 6.865 1.00 0.00 C ATOM 448 O LEU A 31 -8.618 3.709 6.305 1.00 0.00 O ATOM 449 CB LEU A 31 -6.390 5.535 5.509 1.00 0.00 C ATOM 450 CG LEU A 31 -4.918 5.933 5.397 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.517 6.092 3.938 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.652 7.218 6.168 1.00 0.00 C ATOM 0 H LEU A 31 -5.979 3.414 7.157 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.897 6.213 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.548 4.634 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.994 6.323 5.059 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.313 5.139 5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.466 6.375 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.669 5.148 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.129 6.866 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.599 7.486 6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.267 8.021 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.899 7.069 7.219 1.00 0.00 H new ATOM 464 N GLU A 32 -9.265 5.538 7.445 1.00 0.00 N ATOM 465 CA GLU A 32 -10.675 5.165 7.457 1.00 0.00 C ATOM 466 C GLU A 32 -11.312 5.402 6.091 1.00 0.00 C ATOM 467 O GLU A 32 -11.441 6.542 5.642 1.00 0.00 O ATOM 468 CB GLU A 32 -11.426 5.960 8.527 1.00 0.00 C ATOM 469 CG GLU A 32 -12.614 5.218 9.115 1.00 0.00 C ATOM 470 CD GLU A 32 -13.330 6.017 10.187 1.00 0.00 C ATOM 471 OE1 GLU A 32 -12.830 6.057 11.331 1.00 0.00 O ATOM 472 OE2 GLU A 32 -14.389 6.603 9.881 1.00 0.00 O ATOM 0 H GLU A 32 -9.057 6.421 7.912 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.742 4.102 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.734 6.216 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.773 6.898 8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.317 4.976 8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.274 4.273 9.538 1.00 0.00 H new ATOM 479 N LYS A 33 -11.707 4.318 5.433 1.00 0.00 N ATOM 480 CA LYS A 33 -12.331 4.405 4.118 1.00 0.00 C ATOM 481 C LYS A 33 -13.320 5.565 4.061 1.00 0.00 C ATOM 482 O LYS A 33 -14.192 5.692 4.920 1.00 0.00 O ATOM 483 CB LYS A 33 -13.046 3.094 3.782 1.00 0.00 C ATOM 484 CG LYS A 33 -12.104 1.974 3.375 1.00 0.00 C ATOM 485 CD LYS A 33 -12.783 0.986 2.442 1.00 0.00 C ATOM 486 CE LYS A 33 -13.744 0.078 3.195 1.00 0.00 C ATOM 487 NZ LYS A 33 -15.110 0.664 3.280 1.00 0.00 N ATOM 0 H LYS A 33 -11.606 3.368 5.789 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.547 4.583 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.625 2.774 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.755 3.273 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.227 2.395 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.752 1.452 4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.325 1.529 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.028 0.381 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.795 -0.890 2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.362 -0.101 4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.386 0.759 4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.114 1.601 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.786 0.042 2.792 1.00 0.00 H new ATOM 501 N ASP A 34 -13.179 6.407 3.043 1.00 0.00 N ATOM 502 CA ASP A 34 -14.061 7.555 2.872 1.00 0.00 C ATOM 503 C ASP A 34 -15.301 7.173 2.070 1.00 0.00 C ATOM 504 O ASP A 34 -15.423 6.044 1.594 1.00 0.00 O ATOM 505 CB ASP A 34 -13.319 8.697 2.176 1.00 0.00 C ATOM 506 CG ASP A 34 -14.004 10.035 2.368 1.00 0.00 C ATOM 507 OD1 ASP A 34 -14.232 10.423 3.534 1.00 0.00 O ATOM 508 OD2 ASP A 34 -14.312 10.695 1.354 1.00 0.00 O ATOM 0 H ASP A 34 -12.462 6.316 2.324 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.378 7.888 3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.302 8.754 2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.243 8.481 1.110 1.00 0.00 H new ATOM 513 N LYS A 35 -16.220 8.121 1.924 1.00 0.00 N ATOM 514 CA LYS A 35 -17.452 7.885 1.179 1.00 0.00 C ATOM 515 C LYS A 35 -17.207 6.937 0.009 1.00 0.00 C ATOM 516 O LYS A 35 -18.072 6.137 -0.344 1.00 0.00 O ATOM 517 CB LYS A 35 -18.023 9.209 0.665 1.00 0.00 C ATOM 518 CG LYS A 35 -18.341 10.203 1.769 1.00 0.00 C ATOM 519 CD LYS A 35 -19.190 11.354 1.255 1.00 0.00 C ATOM 520 CE LYS A 35 -18.344 12.395 0.539 1.00 0.00 C ATOM 521 NZ LYS A 35 -19.169 13.527 0.032 1.00 0.00 N ATOM 0 H LYS A 35 -16.135 9.061 2.312 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.172 7.423 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.309 9.660 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.931 9.007 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.867 9.695 2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.413 10.593 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.950 10.971 0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.715 11.821 2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.584 12.776 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.819 11.926 -0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.556 14.215 -0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.878 13.167 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.650 13.990 0.829 1.00 0.00 H new ATOM 535 N ASN A 36 -16.022 7.032 -0.586 1.00 0.00 N ATOM 536 CA ASN A 36 -15.664 6.182 -1.715 1.00 0.00 C ATOM 537 C ASN A 36 -14.660 5.113 -1.294 1.00 0.00 C ATOM 538 O ASN A 36 -14.607 4.032 -1.878 1.00 0.00 O ATOM 539 CB ASN A 36 -15.082 7.025 -2.851 1.00 0.00 C ATOM 540 CG ASN A 36 -14.283 6.195 -3.837 1.00 0.00 C ATOM 541 OD1 ASN A 36 -14.846 5.539 -4.713 1.00 0.00 O ATOM 542 ND2 ASN A 36 -12.962 6.219 -3.697 1.00 0.00 N ATOM 0 H ASN A 36 -15.294 7.689 -0.305 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.569 5.687 -2.066 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.892 7.529 -3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.442 7.802 -2.432 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -12.372 5.679 -4.330 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.538 6.777 -2.956 1.00 0.00 H new ATOM 549 N GLY A 37 -13.865 5.424 -0.274 1.00 0.00 N ATOM 550 CA GLY A 37 -12.873 4.480 0.208 1.00 0.00 C ATOM 551 C GLY A 37 -11.455 4.949 -0.047 1.00 0.00 C ATOM 552 O GLY A 37 -11.228 6.111 -0.387 1.00 0.00 O ATOM 0 H GLY A 37 -13.890 6.312 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.014 4.324 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.027 3.516 -0.278 1.00 0.00 H new ATOM 556 N LEU A 38 -10.496 4.045 0.120 1.00 0.00 N ATOM 557 CA LEU A 38 -9.090 4.372 -0.092 1.00 0.00 C ATOM 558 C LEU A 38 -8.805 4.613 -1.571 1.00 0.00 C ATOM 559 O LEU A 38 -8.397 3.703 -2.291 1.00 0.00 O ATOM 560 CB LEU A 38 -8.199 3.246 0.434 1.00 0.00 C ATOM 561 CG LEU A 38 -8.571 2.680 1.805 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.653 1.525 2.173 1.00 0.00 C ATOM 563 CD2 LEU A 38 -8.512 3.770 2.866 1.00 0.00 C ATOM 0 H LEU A 38 -10.666 3.080 0.402 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.868 5.288 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.213 2.431 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.174 3.613 0.481 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.593 2.303 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.933 1.135 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.746 0.735 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.621 1.876 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.780 3.349 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.502 4.177 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.212 4.565 2.610 1.00 0.00 H new ATOM 575 N GLY A 39 -9.020 5.847 -2.017 1.00 0.00 N ATOM 576 CA GLY A 39 -8.779 6.186 -3.407 1.00 0.00 C ATOM 577 C GLY A 39 -7.311 6.431 -3.698 1.00 0.00 C ATOM 578 O GLY A 39 -6.793 7.519 -3.443 1.00 0.00 O ATOM 0 H GLY A 39 -9.357 6.618 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.143 5.379 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.351 7.077 -3.665 1.00 0.00 H new ATOM 582 N LEU A 40 -6.639 5.417 -4.231 1.00 0.00 N ATOM 583 CA LEU A 40 -5.221 5.526 -4.556 1.00 0.00 C ATOM 584 C LEU A 40 -4.924 4.902 -5.916 1.00 0.00 C ATOM 585 O LEU A 40 -5.421 3.823 -6.236 1.00 0.00 O ATOM 586 CB LEU A 40 -4.376 4.848 -3.475 1.00 0.00 C ATOM 587 CG LEU A 40 -4.499 5.427 -2.066 1.00 0.00 C ATOM 588 CD1 LEU A 40 -4.253 4.349 -1.022 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.530 6.585 -1.878 1.00 0.00 C ATOM 0 H LEU A 40 -7.053 4.510 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.964 6.584 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.648 3.793 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.330 4.897 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.514 5.804 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.345 4.780 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.987 3.552 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.250 3.941 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.632 6.985 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.509 6.233 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.754 7.368 -2.603 1.00 0.00 H new ATOM 601 N SER A 41 -4.108 5.588 -6.710 1.00 0.00 N ATOM 602 CA SER A 41 -3.746 5.102 -8.036 1.00 0.00 C ATOM 603 C SER A 41 -2.598 4.100 -7.953 1.00 0.00 C ATOM 604 O SER A 41 -1.481 4.448 -7.568 1.00 0.00 O ATOM 605 CB SER A 41 -3.352 6.271 -8.941 1.00 0.00 C ATOM 606 OG SER A 41 -4.458 7.123 -9.184 1.00 0.00 O ATOM 0 H SER A 41 -3.685 6.481 -6.458 1.00 0.00 H new ATOM 0 HA SER A 41 -4.615 4.599 -8.461 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.546 6.839 -8.476 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.968 5.889 -9.887 1.00 0.00 H new ATOM 0 HG SER A 41 -4.180 7.863 -9.763 1.00 0.00 H new ATOM 612 N LEU A 42 -2.882 2.854 -8.316 1.00 0.00 N ATOM 613 CA LEU A 42 -1.874 1.799 -8.283 1.00 0.00 C ATOM 614 C LEU A 42 -1.367 1.486 -9.687 1.00 0.00 C ATOM 615 O LEU A 42 -2.090 1.649 -10.669 1.00 0.00 O ATOM 616 CB LEU A 42 -2.452 0.535 -7.644 1.00 0.00 C ATOM 617 CG LEU A 42 -3.161 0.725 -6.303 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.736 -0.594 -5.811 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.207 1.310 -5.272 1.00 0.00 C ATOM 0 H LEU A 42 -3.801 2.549 -8.636 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.034 2.151 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.157 0.088 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.642 -0.181 -7.506 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.983 1.426 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.237 -0.439 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.453 -0.972 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.931 -1.318 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.730 1.438 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.363 0.634 -5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.844 2.277 -5.620 1.00 0.00 H new ATOM 631 N ALA A 43 -0.120 1.035 -9.773 1.00 0.00 N ATOM 632 CA ALA A 43 0.483 0.695 -11.056 1.00 0.00 C ATOM 633 C ALA A 43 1.611 -0.317 -10.882 1.00 0.00 C ATOM 634 O ALA A 43 2.427 -0.200 -9.969 1.00 0.00 O ATOM 635 CB ALA A 43 0.998 1.950 -11.745 1.00 0.00 C ATOM 0 H ALA A 43 0.493 0.897 -8.969 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.285 0.239 -11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.446 1.682 -12.702 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.170 2.639 -11.912 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.748 2.429 -11.115 1.00 0.00 H new ATOM 641 N GLY A 44 1.648 -1.311 -11.763 1.00 0.00 N ATOM 642 CA GLY A 44 2.680 -2.330 -11.689 1.00 0.00 C ATOM 643 C GLY A 44 4.066 -1.771 -11.941 1.00 0.00 C ATOM 644 O GLY A 44 4.212 -0.627 -12.371 1.00 0.00 O ATOM 0 H GLY A 44 0.982 -1.430 -12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.654 -2.798 -10.705 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.468 -3.111 -12.419 1.00 0.00 H new ATOM 648 N ASN A 45 5.086 -2.579 -11.671 1.00 0.00 N ATOM 649 CA ASN A 45 6.468 -2.157 -11.869 1.00 0.00 C ATOM 650 C ASN A 45 6.805 -2.079 -13.355 1.00 0.00 C ATOM 651 O ASN A 45 6.305 -2.866 -14.159 1.00 0.00 O ATOM 652 CB ASN A 45 7.424 -3.124 -11.168 1.00 0.00 C ATOM 653 CG ASN A 45 8.858 -2.633 -11.183 1.00 0.00 C ATOM 654 OD1 ASN A 45 9.467 -2.494 -12.244 1.00 0.00 O ATOM 655 ND2 ASN A 45 9.405 -2.367 -10.002 1.00 0.00 N ATOM 0 H ASN A 45 4.982 -3.529 -11.315 1.00 0.00 H new ATOM 0 HA ASN A 45 6.584 -1.164 -11.435 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.102 -3.265 -10.136 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.372 -4.098 -11.654 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.367 -2.033 -9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.863 -2.497 -9.148 1.00 0.00 H new ATOM 662 N LYS A 46 7.658 -1.124 -13.713 1.00 0.00 N ATOM 663 CA LYS A 46 8.065 -0.943 -15.101 1.00 0.00 C ATOM 664 C LYS A 46 8.164 -2.285 -15.819 1.00 0.00 C ATOM 665 O LYS A 46 7.590 -2.469 -16.893 1.00 0.00 O ATOM 666 CB LYS A 46 9.410 -0.216 -15.169 1.00 0.00 C ATOM 667 CG LYS A 46 9.298 1.289 -14.994 1.00 0.00 C ATOM 668 CD LYS A 46 10.663 1.934 -14.824 1.00 0.00 C ATOM 669 CE LYS A 46 10.589 3.445 -14.979 1.00 0.00 C ATOM 670 NZ LYS A 46 10.335 3.846 -16.390 1.00 0.00 N ATOM 0 H LYS A 46 8.080 -0.464 -13.060 1.00 0.00 H new ATOM 0 HA LYS A 46 7.307 -0.339 -15.600 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.068 -0.615 -14.397 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.880 -0.428 -16.130 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.796 1.720 -15.860 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.679 1.510 -14.124 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.063 1.687 -13.841 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.354 1.525 -15.561 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.796 3.837 -14.342 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.523 3.891 -14.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.541 4.859 -16.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.947 3.294 -17.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.339 3.666 -16.628 1.00 0.00 H new ATOM 684 N ASP A 47 8.893 -3.219 -15.219 1.00 0.00 N ATOM 685 CA ASP A 47 9.064 -4.546 -15.800 1.00 0.00 C ATOM 686 C ASP A 47 8.014 -5.514 -15.264 1.00 0.00 C ATOM 687 O ASP A 47 7.966 -5.792 -14.066 1.00 0.00 O ATOM 688 CB ASP A 47 10.466 -5.079 -15.502 1.00 0.00 C ATOM 689 CG ASP A 47 10.965 -6.029 -16.574 1.00 0.00 C ATOM 690 OD1 ASP A 47 10.921 -5.654 -17.765 1.00 0.00 O ATOM 691 OD2 ASP A 47 11.398 -7.145 -16.222 1.00 0.00 O ATOM 0 H ASP A 47 9.375 -3.082 -14.331 1.00 0.00 H new ATOM 0 HA ASP A 47 8.937 -4.462 -16.879 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.158 -4.242 -15.412 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.460 -5.592 -14.540 1.00 0.00 H new ATOM 696 N ARG A 48 7.174 -6.023 -16.159 1.00 0.00 N ATOM 697 CA ARG A 48 6.123 -6.957 -15.776 1.00 0.00 C ATOM 698 C ARG A 48 6.668 -8.037 -14.845 1.00 0.00 C ATOM 699 O ARG A 48 6.122 -8.276 -13.768 1.00 0.00 O ATOM 700 CB ARG A 48 5.508 -7.604 -17.019 1.00 0.00 C ATOM 701 CG ARG A 48 4.584 -8.770 -16.705 1.00 0.00 C ATOM 702 CD ARG A 48 3.229 -8.289 -16.208 1.00 0.00 C ATOM 703 NE ARG A 48 2.312 -9.398 -15.963 1.00 0.00 N ATOM 704 CZ ARG A 48 1.658 -10.038 -16.926 1.00 0.00 C ATOM 705 NH1 ARG A 48 1.821 -9.682 -18.192 1.00 0.00 N ATOM 706 NH2 ARG A 48 0.840 -11.038 -16.623 1.00 0.00 N ATOM 0 H ARG A 48 7.201 -5.804 -17.155 1.00 0.00 H new ATOM 0 HA ARG A 48 5.352 -6.399 -15.245 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.951 -6.849 -17.573 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.309 -7.952 -17.671 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.450 -9.380 -17.598 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.044 -9.407 -15.950 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.362 -7.718 -15.289 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.792 -7.613 -16.943 1.00 0.00 H new ATOM 0 HE ARG A 48 2.165 -9.698 -14.999 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.450 -8.915 -18.429 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.318 -10.175 -18.929 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.713 -11.316 -15.650 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.338 -11.529 -17.363 1.00 0.00 H new ATOM 720 N SER A 49 7.748 -8.685 -15.268 1.00 0.00 N ATOM 721 CA SER A 49 8.365 -9.742 -14.475 1.00 0.00 C ATOM 722 C SER A 49 8.421 -9.352 -13.001 1.00 0.00 C ATOM 723 O SER A 49 8.264 -10.196 -12.118 1.00 0.00 O ATOM 724 CB SER A 49 9.775 -10.038 -14.989 1.00 0.00 C ATOM 725 OG SER A 49 9.732 -10.691 -16.246 1.00 0.00 O ATOM 0 H SER A 49 8.214 -8.497 -16.155 1.00 0.00 H new ATOM 0 HA SER A 49 7.754 -10.640 -14.573 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.336 -9.108 -15.078 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.305 -10.662 -14.269 1.00 0.00 H new ATOM 0 HG SER A 49 10.645 -10.868 -16.554 1.00 0.00 H new ATOM 731 N ARG A 50 8.646 -8.068 -12.743 1.00 0.00 N ATOM 732 CA ARG A 50 8.724 -7.565 -11.377 1.00 0.00 C ATOM 733 C ARG A 50 7.347 -7.142 -10.873 1.00 0.00 C ATOM 734 O ARG A 50 6.763 -6.180 -11.370 1.00 0.00 O ATOM 735 CB ARG A 50 9.692 -6.383 -11.300 1.00 0.00 C ATOM 736 CG ARG A 50 11.150 -6.797 -11.177 1.00 0.00 C ATOM 737 CD ARG A 50 12.043 -5.605 -10.871 1.00 0.00 C ATOM 738 NE ARG A 50 13.322 -6.013 -10.296 1.00 0.00 N ATOM 739 CZ ARG A 50 13.445 -6.567 -9.096 1.00 0.00 C ATOM 740 NH1 ARG A 50 12.372 -6.780 -8.347 1.00 0.00 N ATOM 741 NH2 ARG A 50 14.644 -6.912 -8.642 1.00 0.00 N ATOM 0 H ARG A 50 8.778 -7.357 -13.462 1.00 0.00 H new ATOM 0 HA ARG A 50 9.093 -8.370 -10.741 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.572 -5.767 -12.191 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.426 -5.762 -10.445 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.253 -7.542 -10.388 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.475 -7.268 -12.105 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.221 -5.041 -11.786 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.531 -4.937 -10.179 1.00 0.00 H new ATOM 0 HE ARG A 50 14.167 -5.864 -10.847 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.449 -6.518 -8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.470 -7.206 -7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.472 -6.751 -9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.737 -7.338 -7.720 1.00 0.00 H new ATOM 755 N MET A 51 6.836 -7.869 -9.885 1.00 0.00 N ATOM 756 CA MET A 51 5.528 -7.568 -9.314 1.00 0.00 C ATOM 757 C MET A 51 5.661 -6.648 -8.105 1.00 0.00 C ATOM 758 O MET A 51 6.422 -6.930 -7.179 1.00 0.00 O ATOM 759 CB MET A 51 4.814 -8.860 -8.911 1.00 0.00 C ATOM 760 CG MET A 51 3.949 -9.446 -10.015 1.00 0.00 C ATOM 761 SD MET A 51 2.686 -8.295 -10.593 1.00 0.00 S ATOM 762 CE MET A 51 1.197 -9.114 -10.027 1.00 0.00 C ATOM 0 H MET A 51 7.307 -8.670 -9.463 1.00 0.00 H new ATOM 0 HA MET A 51 4.937 -7.057 -10.074 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.558 -9.599 -8.613 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.191 -8.664 -8.038 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.583 -9.735 -10.853 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.468 -10.354 -9.651 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.325 -8.622 -10.458 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.216 -10.159 -10.338 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.143 -9.060 -8.940 1.00 0.00 H new ATOM 772 N SER A 52 4.916 -5.547 -8.119 1.00 0.00 N ATOM 773 CA SER A 52 4.954 -4.584 -7.024 1.00 0.00 C ATOM 774 C SER A 52 3.920 -3.483 -7.233 1.00 0.00 C ATOM 775 O SER A 52 3.845 -2.882 -8.305 1.00 0.00 O ATOM 776 CB SER A 52 6.351 -3.972 -6.905 1.00 0.00 C ATOM 777 OG SER A 52 6.391 -2.989 -5.885 1.00 0.00 O ATOM 0 H SER A 52 4.279 -5.300 -8.876 1.00 0.00 H new ATOM 0 HA SER A 52 4.716 -5.111 -6.100 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.078 -4.755 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.638 -3.525 -7.857 1.00 0.00 H new ATOM 0 HG SER A 52 6.651 -2.127 -6.272 1.00 0.00 H new ATOM 783 N ILE A 53 3.123 -3.225 -6.202 1.00 0.00 N ATOM 784 CA ILE A 53 2.094 -2.195 -6.271 1.00 0.00 C ATOM 785 C ILE A 53 2.618 -0.858 -5.759 1.00 0.00 C ATOM 786 O ILE A 53 2.927 -0.712 -4.577 1.00 0.00 O ATOM 787 CB ILE A 53 0.847 -2.590 -5.458 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.381 -3.995 -5.848 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.268 -1.578 -5.673 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.417 -4.688 -4.766 1.00 0.00 C ATOM 0 H ILE A 53 3.170 -3.715 -5.309 1.00 0.00 H new ATOM 0 HA ILE A 53 1.817 -2.096 -7.321 1.00 0.00 H new ATOM 0 HB ILE A 53 1.108 -2.595 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.226 -3.930 -6.751 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.252 -4.603 -6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.142 -1.871 -5.092 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.068 -0.592 -5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.530 -1.544 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.714 -5.678 -5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.194 -4.785 -3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.307 -4.101 -4.538 1.00 0.00 H new ATOM 802 N PHE A 54 2.713 0.117 -6.657 1.00 0.00 N ATOM 803 CA PHE A 54 3.199 1.444 -6.297 1.00 0.00 C ATOM 804 C PHE A 54 2.061 2.460 -6.305 1.00 0.00 C ATOM 805 O PHE A 54 0.996 2.212 -6.871 1.00 0.00 O ATOM 806 CB PHE A 54 4.300 1.886 -7.262 1.00 0.00 C ATOM 807 CG PHE A 54 5.540 1.043 -7.184 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.305 1.017 -6.028 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.943 0.277 -8.266 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.446 0.241 -5.953 1.00 0.00 C ATOM 811 CE2 PHE A 54 7.083 -0.501 -8.196 1.00 0.00 C ATOM 812 CZ PHE A 54 7.836 -0.518 -7.039 1.00 0.00 C ATOM 0 H PHE A 54 2.460 0.013 -7.640 1.00 0.00 H new ATOM 0 HA PHE A 54 3.609 1.393 -5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.913 1.855 -8.281 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.562 2.923 -7.052 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.006 1.610 -5.176 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.359 0.288 -9.175 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.032 0.228 -5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.385 -1.095 -9.046 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.728 -1.124 -6.983 1.00 0.00 H new ATOM 822 N VAL A 55 2.294 3.606 -5.673 1.00 0.00 N ATOM 823 CA VAL A 55 1.290 4.662 -5.608 1.00 0.00 C ATOM 824 C VAL A 55 1.646 5.817 -6.536 1.00 0.00 C ATOM 825 O VAL A 55 2.433 6.695 -6.179 1.00 0.00 O ATOM 826 CB VAL A 55 1.134 5.199 -4.173 1.00 0.00 C ATOM 827 CG1 VAL A 55 0.052 6.267 -4.117 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.824 4.063 -3.210 1.00 0.00 C ATOM 0 H VAL A 55 3.169 3.827 -5.199 1.00 0.00 H new ATOM 0 HA VAL A 55 0.346 4.222 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 55 2.077 5.655 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.044 6.635 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.321 7.093 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.898 5.840 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.717 4.461 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.104 3.576 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.637 3.337 -3.230 1.00 0.00 H new ATOM 838 N VAL A 56 1.062 5.812 -7.730 1.00 0.00 N ATOM 839 CA VAL A 56 1.316 6.861 -8.710 1.00 0.00 C ATOM 840 C VAL A 56 0.252 7.951 -8.637 1.00 0.00 C ATOM 841 O VAL A 56 0.070 8.720 -9.579 1.00 0.00 O ATOM 842 CB VAL A 56 1.357 6.294 -10.141 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.311 5.112 -10.220 1.00 0.00 C ATOM 844 CG2 VAL A 56 -0.039 5.895 -10.596 1.00 0.00 C ATOM 0 H VAL A 56 0.409 5.093 -8.042 1.00 0.00 H new ATOM 0 HA VAL A 56 2.289 7.290 -8.469 1.00 0.00 H new ATOM 0 HB VAL A 56 1.724 7.071 -10.811 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.327 4.725 -11.239 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.314 5.434 -9.939 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.977 4.329 -9.539 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.009 5.496 -11.609 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.437 5.134 -9.925 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.690 6.769 -10.580 1.00 0.00 H new ATOM 854 N GLY A 57 -0.450 8.011 -7.509 1.00 0.00 N ATOM 855 CA GLY A 57 -1.487 9.010 -7.333 1.00 0.00 C ATOM 856 C GLY A 57 -2.289 8.797 -6.064 1.00 0.00 C ATOM 857 O GLY A 57 -2.450 7.664 -5.607 1.00 0.00 O ATOM 0 H GLY A 57 -0.319 7.385 -6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.033 10.001 -7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.158 8.987 -8.191 1.00 0.00 H new ATOM 861 N ILE A 58 -2.791 9.886 -5.493 1.00 0.00 N ATOM 862 CA ILE A 58 -3.579 9.812 -4.269 1.00 0.00 C ATOM 863 C ILE A 58 -4.844 10.657 -4.378 1.00 0.00 C ATOM 864 O ILE A 58 -4.821 11.861 -4.130 1.00 0.00 O ATOM 865 CB ILE A 58 -2.767 10.280 -3.047 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.542 9.385 -2.848 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.638 10.279 -1.800 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.595 9.885 -1.780 1.00 0.00 C ATOM 0 H ILE A 58 -2.666 10.830 -5.858 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.854 8.766 -4.133 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.424 11.299 -3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.875 8.381 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.003 9.306 -3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.050 10.612 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.482 10.954 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.008 9.270 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.250 9.201 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.233 10.877 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.118 9.937 -0.825 1.00 0.00 H new ATOM 880 N ASN A 59 -5.947 10.015 -4.749 1.00 0.00 N ATOM 881 CA ASN A 59 -7.223 10.707 -4.890 1.00 0.00 C ATOM 882 C ASN A 59 -7.390 11.766 -3.804 1.00 0.00 C ATOM 883 O ASN A 59 -7.375 11.473 -2.608 1.00 0.00 O ATOM 884 CB ASN A 59 -8.379 9.707 -4.824 1.00 0.00 C ATOM 885 CG ASN A 59 -9.614 10.203 -5.551 1.00 0.00 C ATOM 886 OD1 ASN A 59 -9.519 10.974 -6.506 1.00 0.00 O ATOM 887 ND2 ASN A 59 -10.783 9.760 -5.101 1.00 0.00 N ATOM 0 H ASN A 59 -5.983 9.017 -4.957 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.234 11.202 -5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.061 8.759 -5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.628 9.512 -3.781 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.649 10.058 -5.550 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.815 9.122 -4.306 1.00 0.00 H new ATOM 894 N PRO A 60 -7.555 13.028 -4.229 1.00 0.00 N ATOM 895 CA PRO A 60 -7.729 14.156 -3.309 1.00 0.00 C ATOM 896 C PRO A 60 -9.075 14.118 -2.593 1.00 0.00 C ATOM 897 O PRO A 60 -9.340 14.931 -1.709 1.00 0.00 O ATOM 898 CB PRO A 60 -7.646 15.378 -4.227 1.00 0.00 C ATOM 899 CG PRO A 60 -8.061 14.874 -5.567 1.00 0.00 C ATOM 900 CD PRO A 60 -7.583 13.450 -5.639 1.00 0.00 C ATOM 0 HA PRO A 60 -6.984 14.152 -2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.303 16.177 -3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.636 15.786 -4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.143 14.929 -5.687 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.621 15.474 -6.363 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.256 12.830 -6.231 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.597 13.380 -6.099 1.00 0.00 H new ATOM 908 N GLU A 61 -9.920 13.168 -2.982 1.00 0.00 N ATOM 909 CA GLU A 61 -11.239 13.025 -2.376 1.00 0.00 C ATOM 910 C GLU A 61 -11.273 11.836 -1.420 1.00 0.00 C ATOM 911 O GLU A 61 -12.190 11.702 -0.611 1.00 0.00 O ATOM 912 CB GLU A 61 -12.306 12.854 -3.459 1.00 0.00 C ATOM 913 CG GLU A 61 -12.427 14.049 -4.389 1.00 0.00 C ATOM 914 CD GLU A 61 -13.167 13.718 -5.671 1.00 0.00 C ATOM 915 OE1 GLU A 61 -12.508 13.301 -6.646 1.00 0.00 O ATOM 916 OE2 GLU A 61 -14.405 13.877 -5.698 1.00 0.00 O ATOM 0 H GLU A 61 -9.715 12.487 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.450 13.931 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.074 11.967 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.270 12.676 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.946 14.856 -3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.430 14.417 -4.634 1.00 0.00 H new ATOM 923 N GLY A 62 -10.265 10.974 -1.521 1.00 0.00 N ATOM 924 CA GLY A 62 -10.198 9.807 -0.660 1.00 0.00 C ATOM 925 C GLY A 62 -9.615 10.124 0.702 1.00 0.00 C ATOM 926 O GLY A 62 -9.281 11.269 1.008 1.00 0.00 O ATOM 0 H GLY A 62 -9.494 11.063 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.199 9.393 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.593 9.039 -1.141 1.00 0.00 H new ATOM 930 N PRO A 63 -9.485 9.092 1.549 1.00 0.00 N ATOM 931 CA PRO A 63 -8.939 9.241 2.901 1.00 0.00 C ATOM 932 C PRO A 63 -7.445 9.548 2.892 1.00 0.00 C ATOM 933 O PRO A 63 -6.992 10.494 3.536 1.00 0.00 O ATOM 934 CB PRO A 63 -9.200 7.876 3.542 1.00 0.00 C ATOM 935 CG PRO A 63 -9.268 6.926 2.397 1.00 0.00 C ATOM 936 CD PRO A 63 -9.862 7.700 1.252 1.00 0.00 C ATOM 0 HA PRO A 63 -9.397 10.073 3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.403 7.605 4.234 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.130 7.877 4.111 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.277 6.551 2.142 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -9.883 6.061 2.644 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.461 7.371 0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.944 7.578 1.203 1.00 0.00 H new ATOM 944 N ALA A 64 -6.685 8.742 2.158 1.00 0.00 N ATOM 945 CA ALA A 64 -5.242 8.930 2.063 1.00 0.00 C ATOM 946 C ALA A 64 -4.891 10.401 1.872 1.00 0.00 C ATOM 947 O ALA A 64 -3.870 10.875 2.369 1.00 0.00 O ATOM 948 CB ALA A 64 -4.676 8.097 0.923 1.00 0.00 C ATOM 0 H ALA A 64 -7.044 7.953 1.621 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.794 8.596 2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.598 8.247 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.886 7.043 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.137 8.404 -0.016 1.00 0.00 H new ATOM 954 N ALA A 65 -5.744 11.119 1.147 1.00 0.00 N ATOM 955 CA ALA A 65 -5.524 12.537 0.892 1.00 0.00 C ATOM 956 C ALA A 65 -5.862 13.375 2.120 1.00 0.00 C ATOM 957 O ALA A 65 -5.120 14.287 2.484 1.00 0.00 O ATOM 958 CB ALA A 65 -6.348 12.992 -0.304 1.00 0.00 C ATOM 0 H ALA A 65 -6.593 10.741 0.726 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.467 12.681 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.174 14.053 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.055 12.422 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.406 12.827 -0.101 1.00 0.00 H new ATOM 964 N ALA A 66 -6.986 13.060 2.754 1.00 0.00 N ATOM 965 CA ALA A 66 -7.422 13.784 3.942 1.00 0.00 C ATOM 966 C ALA A 66 -6.384 13.686 5.055 1.00 0.00 C ATOM 967 O ALA A 66 -5.994 14.695 5.644 1.00 0.00 O ATOM 968 CB ALA A 66 -8.765 13.252 4.421 1.00 0.00 C ATOM 0 H ALA A 66 -7.612 12.308 2.465 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.534 14.835 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.078 13.802 5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.508 13.379 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.671 12.194 4.664 1.00 0.00 H new ATOM 974 N ASP A 67 -5.942 12.466 5.340 1.00 0.00 N ATOM 975 CA ASP A 67 -4.949 12.236 6.383 1.00 0.00 C ATOM 976 C ASP A 67 -3.667 13.011 6.093 1.00 0.00 C ATOM 977 O ASP A 67 -3.094 13.638 6.982 1.00 0.00 O ATOM 978 CB ASP A 67 -4.642 10.743 6.504 1.00 0.00 C ATOM 979 CG ASP A 67 -3.990 10.392 7.828 1.00 0.00 C ATOM 980 OD1 ASP A 67 -4.175 11.153 8.801 1.00 0.00 O ATOM 981 OD2 ASP A 67 -3.297 9.356 7.890 1.00 0.00 O ATOM 0 H ASP A 67 -6.256 11.621 4.863 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.361 12.591 7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.566 10.175 6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.985 10.443 5.688 1.00 0.00 H new ATOM 986 N GLY A 68 -3.222 12.960 4.841 1.00 0.00 N ATOM 987 CA GLY A 68 -2.010 13.660 4.456 1.00 0.00 C ATOM 988 C GLY A 68 -0.755 12.925 4.884 1.00 0.00 C ATOM 989 O GLY A 68 0.255 13.547 5.211 1.00 0.00 O ATOM 0 H GLY A 68 -3.679 12.447 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.999 13.792 3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.013 14.656 4.899 1.00 0.00 H new ATOM 993 N ARG A 69 -0.820 11.597 4.884 1.00 0.00 N ATOM 994 CA ARG A 69 0.319 10.777 5.278 1.00 0.00 C ATOM 995 C ARG A 69 0.898 10.037 4.075 1.00 0.00 C ATOM 996 O ARG A 69 2.101 10.090 3.822 1.00 0.00 O ATOM 997 CB ARG A 69 -0.097 9.774 6.356 1.00 0.00 C ATOM 998 CG ARG A 69 -0.414 10.417 7.696 1.00 0.00 C ATOM 999 CD ARG A 69 0.825 10.522 8.571 1.00 0.00 C ATOM 1000 NE ARG A 69 1.677 11.642 8.181 1.00 0.00 N ATOM 1001 CZ ARG A 69 2.803 11.962 8.809 1.00 0.00 C ATOM 1002 NH1 ARG A 69 3.211 11.250 9.850 1.00 0.00 N ATOM 1003 NH2 ARG A 69 3.524 12.996 8.395 1.00 0.00 N ATOM 0 H ARG A 69 -1.649 11.067 4.616 1.00 0.00 H new ATOM 0 HA ARG A 69 1.088 11.436 5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.972 9.224 6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.703 9.047 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.832 11.411 7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.176 9.831 8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.525 10.640 9.612 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.394 9.594 8.507 1.00 0.00 H new ATOM 0 HE ARG A 69 1.392 12.210 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.660 10.454 10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.076 11.498 10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.214 13.546 7.594 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.388 13.241 8.878 1.00 0.00 H new ATOM 1017 N MET A 70 0.033 9.347 3.339 1.00 0.00 N ATOM 1018 CA MET A 70 0.458 8.596 2.163 1.00 0.00 C ATOM 1019 C MET A 70 0.961 9.536 1.072 1.00 0.00 C ATOM 1020 O MET A 70 0.445 10.641 0.906 1.00 0.00 O ATOM 1021 CB MET A 70 -0.696 7.746 1.629 1.00 0.00 C ATOM 1022 CG MET A 70 -0.751 6.351 2.230 1.00 0.00 C ATOM 1023 SD MET A 70 -1.547 5.156 1.138 1.00 0.00 S ATOM 1024 CE MET A 70 -0.237 4.853 -0.044 1.00 0.00 C ATOM 0 H MET A 70 -0.966 9.292 3.536 1.00 0.00 H new ATOM 0 HA MET A 70 1.276 7.939 2.458 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.637 8.257 1.831 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.605 7.663 0.546 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.262 6.015 2.453 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.290 6.388 3.177 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.266 3.810 -0.360 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.373 5.499 -0.911 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.727 5.065 0.419 1.00 0.00 H new ATOM 1034 N ARG A 71 1.970 9.089 0.331 1.00 0.00 N ATOM 1035 CA ARG A 71 2.542 9.891 -0.743 1.00 0.00 C ATOM 1036 C ARG A 71 2.785 9.040 -1.987 1.00 0.00 C ATOM 1037 O ARG A 71 2.577 7.827 -1.971 1.00 0.00 O ATOM 1038 CB ARG A 71 3.854 10.532 -0.287 1.00 0.00 C ATOM 1039 CG ARG A 71 3.682 11.531 0.845 1.00 0.00 C ATOM 1040 CD ARG A 71 3.463 12.940 0.316 1.00 0.00 C ATOM 1041 NE ARG A 71 2.846 13.810 1.313 1.00 0.00 N ATOM 1042 CZ ARG A 71 2.404 15.034 1.048 1.00 0.00 C ATOM 1043 NH1 ARG A 71 2.509 15.530 -0.177 1.00 0.00 N ATOM 1044 NH2 ARG A 71 1.854 15.765 2.009 1.00 0.00 N ATOM 0 H ARG A 71 2.408 8.176 0.455 1.00 0.00 H new ATOM 0 HA ARG A 71 1.830 10.677 -0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.540 9.748 0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.318 11.034 -1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.834 11.238 1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.565 11.514 1.484 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.419 13.364 0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.831 12.900 -0.571 1.00 0.00 H new ATOM 0 HE ARG A 71 2.749 13.458 2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.930 14.971 -0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.169 16.470 -0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.770 15.387 2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.515 16.705 1.804 1.00 0.00 H new ATOM 1058 N ILE A 72 3.226 9.685 -3.062 1.00 0.00 N ATOM 1059 CA ILE A 72 3.498 8.987 -4.312 1.00 0.00 C ATOM 1060 C ILE A 72 4.833 8.252 -4.253 1.00 0.00 C ATOM 1061 O ILE A 72 5.871 8.851 -3.978 1.00 0.00 O ATOM 1062 CB ILE A 72 3.512 9.959 -5.507 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.339 10.936 -5.411 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.460 9.188 -6.818 1.00 0.00 C ATOM 1065 CD1 ILE A 72 1.013 10.264 -5.133 1.00 0.00 C ATOM 0 H ILE A 72 3.402 10.689 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 72 2.694 8.264 -4.451 1.00 0.00 H new ATOM 0 HB ILE A 72 4.440 10.530 -5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.543 11.659 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.265 11.495 -6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.471 9.889 -7.653 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.325 8.529 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.547 8.594 -6.855 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.228 11.018 -5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.786 9.561 -5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.068 9.728 -4.185 1.00 0.00 H new ATOM 1077 N GLY A 73 4.797 6.949 -4.516 1.00 0.00 N ATOM 1078 CA GLY A 73 6.010 6.154 -4.489 1.00 0.00 C ATOM 1079 C GLY A 73 5.924 4.997 -3.514 1.00 0.00 C ATOM 1080 O GLY A 73 6.706 4.049 -3.593 1.00 0.00 O ATOM 0 H GLY A 73 3.950 6.430 -4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.210 5.768 -5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.852 6.791 -4.219 1.00 0.00 H new ATOM 1084 N ASP A 74 4.972 5.073 -2.590 1.00 0.00 N ATOM 1085 CA ASP A 74 4.786 4.024 -1.595 1.00 0.00 C ATOM 1086 C ASP A 74 4.487 2.686 -2.264 1.00 0.00 C ATOM 1087 O ASP A 74 3.768 2.628 -3.261 1.00 0.00 O ATOM 1088 CB ASP A 74 3.652 4.395 -0.638 1.00 0.00 C ATOM 1089 CG ASP A 74 3.948 5.655 0.150 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.067 5.767 0.693 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.061 6.531 0.223 1.00 0.00 O ATOM 0 H ASP A 74 4.317 5.851 -2.510 1.00 0.00 H new ATOM 0 HA ASP A 74 5.712 3.927 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.732 4.533 -1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.479 3.570 0.053 1.00 0.00 H new ATOM 1096 N GLU A 75 5.044 1.615 -1.710 1.00 0.00 N ATOM 1097 CA GLU A 75 4.838 0.278 -2.255 1.00 0.00 C ATOM 1098 C GLU A 75 4.038 -0.588 -1.286 1.00 0.00 C ATOM 1099 O GLU A 75 4.597 -1.192 -0.369 1.00 0.00 O ATOM 1100 CB GLU A 75 6.182 -0.386 -2.559 1.00 0.00 C ATOM 1101 CG GLU A 75 6.080 -1.881 -2.808 1.00 0.00 C ATOM 1102 CD GLU A 75 7.433 -2.529 -3.034 1.00 0.00 C ATOM 1103 OE1 GLU A 75 8.368 -1.817 -3.456 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.556 -3.747 -2.790 1.00 0.00 O ATOM 0 H GLU A 75 5.642 1.646 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 75 4.271 0.375 -3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.623 0.090 -3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.861 -0.211 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.592 -2.355 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.447 -2.058 -3.677 1.00 0.00 H new ATOM 1111 N LEU A 76 2.727 -0.642 -1.494 1.00 0.00 N ATOM 1112 CA LEU A 76 1.849 -1.433 -0.639 1.00 0.00 C ATOM 1113 C LEU A 76 2.400 -2.842 -0.447 1.00 0.00 C ATOM 1114 O LEU A 76 2.907 -3.455 -1.388 1.00 0.00 O ATOM 1115 CB LEU A 76 0.444 -1.500 -1.241 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.359 -0.199 -1.218 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.701 -0.388 -1.907 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.554 0.282 0.213 1.00 0.00 C ATOM 0 H LEU A 76 2.249 -0.148 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 76 1.798 -0.947 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.529 -1.833 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.123 -2.263 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 76 0.201 0.561 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.258 0.548 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.539 -0.685 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.269 -1.163 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.127 1.209 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.093 -0.476 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.418 0.458 0.673 1.00 0.00 H new ATOM 1130 N LEU A 77 2.296 -3.351 0.775 1.00 0.00 N ATOM 1131 CA LEU A 77 2.783 -4.690 1.091 1.00 0.00 C ATOM 1132 C LEU A 77 1.667 -5.551 1.674 1.00 0.00 C ATOM 1133 O LEU A 77 1.546 -6.731 1.347 1.00 0.00 O ATOM 1134 CB LEU A 77 3.950 -4.611 2.076 1.00 0.00 C ATOM 1135 CG LEU A 77 5.153 -3.781 1.627 1.00 0.00 C ATOM 1136 CD1 LEU A 77 6.044 -3.447 2.813 1.00 0.00 C ATOM 1137 CD2 LEU A 77 5.942 -4.522 0.557 1.00 0.00 C ATOM 0 H LEU A 77 1.879 -2.857 1.564 1.00 0.00 H new ATOM 0 HA LEU A 77 3.128 -5.152 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.580 -4.199 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.291 -5.625 2.286 1.00 0.00 H new ATOM 0 HG LEU A 77 4.787 -2.847 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.895 -2.856 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.475 -2.876 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.402 -4.369 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.795 -3.917 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.297 -5.471 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.300 -4.709 -0.304 1.00 0.00 H new ATOM 1149 N GLU A 78 0.853 -4.951 2.537 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.254 -5.664 3.164 1.00 0.00 C ATOM 1151 C GLU A 78 -1.429 -4.725 3.421 1.00 0.00 C ATOM 1152 O GLU A 78 -1.246 -3.522 3.611 1.00 0.00 O ATOM 1153 CB GLU A 78 0.201 -6.302 4.478 1.00 0.00 C ATOM 1154 CG GLU A 78 1.463 -7.136 4.345 1.00 0.00 C ATOM 1155 CD GLU A 78 1.837 -7.839 5.636 1.00 0.00 C ATOM 1156 OE1 GLU A 78 1.082 -8.738 6.062 1.00 0.00 O ATOM 1157 OE2 GLU A 78 2.885 -7.490 6.219 1.00 0.00 O ATOM 0 H GLU A 78 0.939 -3.974 2.818 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.581 -6.449 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.371 -5.516 5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.601 -6.931 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.322 -7.878 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.287 -6.494 4.033 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.635 -5.284 3.426 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.840 -4.497 3.660 1.00 0.00 C ATOM 1166 C ILE A 79 -4.921 -5.336 4.332 1.00 0.00 C ATOM 1167 O ILE A 79 -5.405 -6.314 3.764 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.397 -3.917 2.347 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.368 -2.992 1.695 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.697 -3.171 2.608 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.904 -2.242 0.496 1.00 0.00 C ATOM 0 H ILE A 79 -2.803 -6.278 3.271 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.559 -3.676 4.319 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.603 -4.740 1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.017 -2.273 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.504 -3.582 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.079 -2.767 1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.431 -3.856 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.514 -2.355 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.120 -1.606 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.229 -2.954 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.749 -1.625 0.801 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.297 -4.945 5.546 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.324 -5.661 6.295 1.00 0.00 C ATOM 1185 C ASN A 80 -5.906 -7.107 6.545 1.00 0.00 C ATOM 1186 O ASN A 80 -6.703 -8.030 6.382 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.654 -5.625 5.541 1.00 0.00 C ATOM 1188 CG ASN A 80 -8.811 -6.121 6.386 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.205 -7.284 6.297 1.00 0.00 O ATOM 1190 ND2 ASN A 80 -9.363 -5.239 7.210 1.00 0.00 N ATOM 0 H ASN A 80 -4.906 -4.137 6.031 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.448 -5.166 7.258 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.857 -4.605 5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.576 -6.237 4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.146 -5.515 7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.004 -4.285 7.251 1.00 0.00 H new ATOM 1197 N ASN A 81 -4.652 -7.295 6.941 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.128 -8.629 7.214 1.00 0.00 C ATOM 1199 C ASN A 81 -4.127 -9.481 5.949 1.00 0.00 C ATOM 1200 O ASN A 81 -4.512 -10.650 5.976 1.00 0.00 O ATOM 1201 CB ASN A 81 -4.958 -9.313 8.302 1.00 0.00 C ATOM 1202 CG ASN A 81 -5.037 -8.488 9.573 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -4.808 -7.279 9.556 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -5.363 -9.142 10.682 1.00 0.00 N ATOM 0 H ASN A 81 -3.979 -6.541 7.080 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.100 -8.525 7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.965 -9.495 7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.522 -10.286 8.530 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.432 -8.641 11.568 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.544 -10.145 10.648 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.690 -8.888 4.842 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.639 -9.593 3.567 1.00 0.00 C ATOM 1213 C GLN A 82 -2.441 -9.137 2.741 1.00 0.00 C ATOM 1214 O GLN A 82 -2.394 -7.998 2.275 1.00 0.00 O ATOM 1215 CB GLN A 82 -4.932 -9.366 2.782 1.00 0.00 C ATOM 1216 CG GLN A 82 -6.014 -10.389 3.083 1.00 0.00 C ATOM 1217 CD GLN A 82 -5.946 -11.597 2.169 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -5.738 -12.722 2.623 1.00 0.00 O ATOM 1219 NE2 GLN A 82 -6.123 -11.369 0.873 1.00 0.00 N ATOM 0 H GLN A 82 -3.366 -7.921 4.803 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.531 -10.658 3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.313 -8.370 3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.708 -9.389 1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.921 -10.716 4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.992 -9.918 2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.293 -10.420 0.541 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.089 -12.143 0.210 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.475 -10.032 2.563 1.00 0.00 N ATOM 1229 CA ILE A 83 -0.278 -9.721 1.792 1.00 0.00 C ATOM 1230 C ILE A 83 -0.604 -9.557 0.312 1.00 0.00 C ATOM 1231 O ILE A 83 -1.272 -10.403 -0.285 1.00 0.00 O ATOM 1232 CB ILE A 83 0.795 -10.814 1.952 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.101 -11.046 3.433 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.059 -10.430 1.198 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.123 -12.135 3.676 1.00 0.00 C ATOM 0 H ILE A 83 -1.498 -10.979 2.942 1.00 0.00 H new ATOM 0 HA ILE A 83 0.112 -8.781 2.182 1.00 0.00 H new ATOM 0 HB ILE A 83 0.412 -11.743 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.462 -10.116 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.177 -11.304 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.808 -11.212 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.829 -10.311 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.447 -9.491 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.290 -12.244 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.755 -13.077 3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.061 -11.870 3.188 1.00 0.00 H new ATOM 1247 N LEU A 84 -0.128 -8.465 -0.276 1.00 0.00 N ATOM 1248 CA LEU A 84 -0.368 -8.191 -1.689 1.00 0.00 C ATOM 1249 C LEU A 84 0.864 -8.524 -2.524 1.00 0.00 C ATOM 1250 O LEU A 84 0.761 -8.785 -3.723 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.749 -6.722 -1.886 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.704 -6.132 -0.847 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.716 -4.614 -0.936 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -3.107 -6.690 -1.035 1.00 0.00 C ATOM 0 H LEU A 84 0.426 -7.755 0.203 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.192 -8.822 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.165 -6.128 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.203 -6.614 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.352 -6.415 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.401 -4.211 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.712 -4.231 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.044 -4.310 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.773 -6.259 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.469 -6.437 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.086 -7.774 -0.921 1.00 0.00 H new ATOM 1266 N TYR A 85 2.027 -8.517 -1.883 1.00 0.00 N ATOM 1267 CA TYR A 85 3.279 -8.819 -2.567 1.00 0.00 C ATOM 1268 C TYR A 85 3.114 -10.011 -3.505 1.00 0.00 C ATOM 1269 O TYR A 85 2.969 -11.149 -3.061 1.00 0.00 O ATOM 1270 CB TYR A 85 4.384 -9.105 -1.550 1.00 0.00 C ATOM 1271 CG TYR A 85 5.718 -9.436 -2.181 1.00 0.00 C ATOM 1272 CD1 TYR A 85 5.990 -10.716 -2.648 1.00 0.00 C ATOM 1273 CD2 TYR A 85 6.706 -8.468 -2.311 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.207 -11.022 -3.225 1.00 0.00 C ATOM 1275 CE2 TYR A 85 7.926 -8.765 -2.888 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.171 -10.043 -3.343 1.00 0.00 C ATOM 1277 OH TYR A 85 9.385 -10.344 -3.917 1.00 0.00 O ATOM 0 H TYR A 85 2.129 -8.305 -0.890 1.00 0.00 H new ATOM 0 HA TYR A 85 3.558 -7.949 -3.161 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.504 -8.236 -0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.076 -9.936 -0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.237 -11.485 -2.558 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.517 -7.466 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.403 -12.022 -3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.683 -8.000 -2.982 1.00 0.00 H new ATOM 0 HH TYR A 85 9.951 -9.544 -3.925 1.00 0.00 H new ATOM 1287 N GLY A 86 3.137 -9.739 -4.807 1.00 0.00 N ATOM 1288 CA GLY A 86 2.989 -10.798 -5.788 1.00 0.00 C ATOM 1289 C GLY A 86 1.707 -10.674 -6.587 1.00 0.00 C ATOM 1290 O GLY A 86 1.691 -10.927 -7.791 1.00 0.00 O ATOM 0 H GLY A 86 3.255 -8.805 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.840 -10.780 -6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.006 -11.763 -5.281 1.00 0.00 H new ATOM 1294 N ARG A 87 0.628 -10.284 -5.915 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.665 -10.130 -6.569 1.00 0.00 C ATOM 1296 C ARG A 87 -0.696 -8.863 -7.420 1.00 0.00 C ATOM 1297 O ARG A 87 0.171 -7.998 -7.295 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.785 -10.086 -5.528 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.858 -11.330 -4.658 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.713 -11.096 -3.422 1.00 0.00 C ATOM 1301 NE ARG A 87 -4.123 -11.386 -3.669 1.00 0.00 N ATOM 1302 CZ ARG A 87 -4.595 -12.609 -3.881 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -3.775 -13.651 -3.875 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -5.891 -12.792 -4.098 1.00 0.00 N ATOM 0 H ARG A 87 0.625 -10.069 -4.918 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.819 -10.989 -7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.642 -9.214 -4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.739 -9.954 -6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.271 -12.156 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.853 -11.624 -4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.351 -11.723 -2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.607 -10.060 -3.099 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.781 -10.607 -3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.778 -13.515 -3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.141 -14.589 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.525 -11.993 -4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.253 -13.732 -4.261 1.00 0.00 H new ATOM 1318 N SER A 88 -1.700 -8.762 -8.285 1.00 0.00 N ATOM 1319 CA SER A 88 -1.842 -7.604 -9.159 1.00 0.00 C ATOM 1320 C SER A 88 -2.552 -6.463 -8.438 1.00 0.00 C ATOM 1321 O SER A 88 -3.492 -6.685 -7.674 1.00 0.00 O ATOM 1322 CB SER A 88 -2.616 -7.984 -10.423 1.00 0.00 C ATOM 1323 OG SER A 88 -1.787 -8.677 -11.340 1.00 0.00 O ATOM 0 H SER A 88 -2.427 -9.468 -8.399 1.00 0.00 H new ATOM 0 HA SER A 88 -0.844 -7.268 -9.440 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.470 -8.607 -10.157 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.013 -7.085 -10.894 1.00 0.00 H new ATOM 0 HG SER A 88 -2.306 -8.910 -12.138 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.096 -5.239 -8.687 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.687 -4.061 -8.062 1.00 0.00 C ATOM 1331 C HIS A 89 -4.207 -4.185 -7.999 1.00 0.00 C ATOM 1332 O HIS A 89 -4.824 -3.843 -6.990 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.299 -2.799 -8.833 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.614 -2.870 -10.296 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -3.828 -2.484 -10.823 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -1.865 -3.284 -11.344 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -3.813 -2.659 -12.133 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -2.632 -3.143 -12.474 1.00 0.00 N ATOM 0 H HIS A 89 -1.319 -5.037 -9.317 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.303 -3.989 -7.045 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.818 -1.944 -8.399 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.231 -2.621 -8.708 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.852 -3.656 -11.300 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.627 -2.443 -12.809 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.338 -3.374 -13.423 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.801 -4.675 -9.081 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.249 -4.842 -9.148 1.00 0.00 C ATOM 1349 C GLN A 90 -6.771 -5.563 -7.910 1.00 0.00 C ATOM 1350 O GLN A 90 -7.778 -5.165 -7.326 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.636 -5.619 -10.407 1.00 0.00 C ATOM 1352 CG GLN A 90 -6.174 -4.958 -11.696 1.00 0.00 C ATOM 1353 CD GLN A 90 -5.928 -5.958 -12.809 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -5.743 -7.150 -12.558 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -5.924 -5.478 -14.046 1.00 0.00 N ATOM 0 H GLN A 90 -4.303 -4.964 -9.923 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.703 -3.852 -9.187 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.212 -6.621 -10.350 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.720 -5.733 -10.435 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.925 -4.237 -12.020 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.258 -4.400 -11.505 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.082 -4.483 -14.208 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.763 -6.104 -14.835 1.00 0.00 H new ATOM 1364 N ASN A 91 -6.079 -6.627 -7.515 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.474 -7.405 -6.346 1.00 0.00 C ATOM 1366 C ASN A 91 -6.525 -6.527 -5.100 1.00 0.00 C ATOM 1367 O ASN A 91 -7.537 -6.483 -4.400 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.500 -8.565 -6.127 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.368 -9.449 -7.352 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -4.784 -9.049 -8.360 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -5.912 -10.657 -7.271 1.00 0.00 N ATOM 0 H ASN A 91 -5.242 -6.970 -7.987 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.471 -7.806 -6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.520 -8.168 -5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.839 -9.166 -5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.856 -11.296 -8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.386 -10.946 -6.416 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.428 -5.828 -4.830 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.348 -4.948 -3.670 1.00 0.00 C ATOM 1380 C ALA A 92 -6.662 -4.205 -3.454 1.00 0.00 C ATOM 1381 O ALA A 92 -7.299 -4.341 -2.409 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.202 -3.961 -3.834 1.00 0.00 C ATOM 0 H ALA A 92 -4.582 -5.854 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.159 -5.563 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.154 -3.310 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.263 -4.506 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.366 -3.358 -4.727 1.00 0.00 H new ATOM 1388 N SER A 93 -7.062 -3.418 -4.448 1.00 0.00 N ATOM 1389 CA SER A 93 -8.299 -2.650 -4.364 1.00 0.00 C ATOM 1390 C SER A 93 -9.455 -3.530 -3.899 1.00 0.00 C ATOM 1391 O SER A 93 -10.233 -3.142 -3.028 1.00 0.00 O ATOM 1392 CB SER A 93 -8.630 -2.028 -5.722 1.00 0.00 C ATOM 1393 OG SER A 93 -9.023 -3.019 -6.655 1.00 0.00 O ATOM 0 H SER A 93 -6.548 -3.296 -5.320 1.00 0.00 H new ATOM 0 HA SER A 93 -8.155 -1.854 -3.633 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.430 -1.297 -5.605 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.760 -1.491 -6.101 1.00 0.00 H new ATOM 0 HG SER A 93 -8.331 -3.711 -6.708 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.561 -4.716 -4.488 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.620 -5.653 -4.133 1.00 0.00 C ATOM 1401 C ALA A 94 -10.621 -5.940 -2.636 1.00 0.00 C ATOM 1402 O ALA A 94 -11.667 -5.902 -1.987 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.466 -6.946 -4.920 1.00 0.00 C ATOM 0 H ALA A 94 -8.927 -5.051 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.576 -5.196 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.263 -7.636 -4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.524 -6.731 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.500 -7.398 -4.692 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.443 -6.228 -2.092 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.309 -6.520 -0.671 1.00 0.00 C ATOM 1411 C ILE A 95 -9.852 -5.377 0.180 1.00 0.00 C ATOM 1412 O ILE A 95 -10.565 -5.603 1.158 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.840 -6.779 -0.286 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.257 -7.907 -1.140 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.732 -7.117 1.194 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.745 -7.915 -1.178 1.00 0.00 C ATOM 0 H ILE A 95 -8.568 -6.265 -2.615 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.891 -7.421 -0.478 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.265 -5.872 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.608 -8.864 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.638 -7.816 -2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.688 -7.297 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.113 -6.285 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.318 -8.011 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.401 -8.740 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.386 -6.973 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.356 -8.037 -0.167 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.512 -4.151 -0.201 1.00 0.00 N ATOM 1429 CA ILE A 96 -9.968 -2.972 0.525 1.00 0.00 C ATOM 1430 C ILE A 96 -11.488 -2.857 0.487 1.00 0.00 C ATOM 1431 O ILE A 96 -12.126 -2.571 1.501 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.353 -1.683 -0.050 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.837 -1.680 0.156 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -9.983 -0.460 0.598 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -7.110 -0.683 -0.720 1.00 0.00 C ATOM 0 H ILE A 96 -8.922 -3.948 -1.008 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.640 -3.092 1.558 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.556 -1.647 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.621 -1.458 1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.449 -2.679 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.537 0.443 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.056 -0.458 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.808 -0.487 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.040 -0.736 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.296 -0.916 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.470 0.323 -0.503 1.00 0.00 H new ATOM 1447 N LYS A 97 -12.064 -3.085 -0.688 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.510 -3.010 -0.860 1.00 0.00 C ATOM 1449 C LYS A 97 -14.225 -3.890 0.161 1.00 0.00 C ATOM 1450 O LYS A 97 -15.209 -3.474 0.773 1.00 0.00 O ATOM 1451 CB LYS A 97 -13.898 -3.437 -2.278 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.154 -2.756 -2.795 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.299 -2.923 -4.298 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.288 -2.075 -5.054 1.00 0.00 C ATOM 1455 NZ LYS A 97 -14.636 -1.951 -6.497 1.00 0.00 N ATOM 0 H LYS A 97 -11.551 -3.324 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.817 -1.976 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.071 -3.218 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.046 -4.517 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.028 -3.174 -2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.122 -1.695 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.166 -3.972 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.308 -2.643 -4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.239 -1.083 -4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.297 -2.518 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.923 -1.366 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.658 -2.896 -6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.571 -1.505 -6.592 1.00 0.00 H new ATOM 1469 N THR A 98 -13.723 -5.108 0.340 1.00 0.00 N ATOM 1470 CA THR A 98 -14.313 -6.046 1.287 1.00 0.00 C ATOM 1471 C THR A 98 -13.953 -5.678 2.722 1.00 0.00 C ATOM 1472 O THR A 98 -14.671 -6.024 3.660 1.00 0.00 O ATOM 1473 CB THR A 98 -13.855 -7.489 1.008 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.438 -7.597 1.190 1.00 0.00 O ATOM 1475 CG2 THR A 98 -14.222 -7.910 -0.407 1.00 0.00 C ATOM 0 H THR A 98 -12.909 -5.468 -0.159 1.00 0.00 H new ATOM 0 HA THR A 98 -15.394 -5.986 1.160 1.00 0.00 H new ATOM 0 HB THR A 98 -14.363 -8.150 1.710 1.00 0.00 H new ATOM 0 HG1 THR A 98 -12.035 -6.704 1.155 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.888 -8.933 -0.580 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.303 -7.855 -0.534 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.738 -7.244 -1.122 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.837 -4.975 2.886 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.384 -4.559 4.207 1.00 0.00 C ATOM 1485 C ALA A 99 -13.332 -3.531 4.814 1.00 0.00 C ATOM 1486 O ALA A 99 -13.980 -2.756 4.110 1.00 0.00 O ATOM 1487 CB ALA A 99 -10.973 -3.995 4.127 1.00 0.00 C ATOM 0 H ALA A 99 -12.230 -4.682 2.120 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.378 -5.436 4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.647 -3.688 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.297 -4.759 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.963 -3.133 3.460 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.419 -3.522 6.152 1.00 0.00 N ATOM 1494 CA PRO A 100 -14.286 -2.594 6.884 1.00 0.00 C ATOM 1495 C PRO A 100 -13.789 -1.155 6.809 1.00 0.00 C ATOM 1496 O PRO A 100 -12.681 -0.894 6.339 1.00 0.00 O ATOM 1497 CB PRO A 100 -14.221 -3.108 8.324 1.00 0.00 C ATOM 1498 CG PRO A 100 -12.916 -3.820 8.414 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.676 -4.418 7.055 1.00 0.00 C ATOM 0 HA PRO A 100 -15.295 -2.568 6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.274 -2.288 9.040 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.053 -3.777 8.543 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.114 -3.133 8.685 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.946 -4.594 9.181 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.614 -4.445 6.810 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.043 -5.443 6.996 1.00 0.00 H new ATOM 1507 N SER A 101 -14.614 -0.223 7.276 1.00 0.00 N ATOM 1508 CA SER A 101 -14.258 1.191 7.259 1.00 0.00 C ATOM 1509 C SER A 101 -12.773 1.382 7.553 1.00 0.00 C ATOM 1510 O SER A 101 -12.033 1.935 6.739 1.00 0.00 O ATOM 1511 CB SER A 101 -15.095 1.961 8.282 1.00 0.00 C ATOM 1512 OG SER A 101 -15.301 3.301 7.868 1.00 0.00 O ATOM 0 H SER A 101 -15.533 -0.422 7.671 1.00 0.00 H new ATOM 0 HA SER A 101 -14.466 1.580 6.262 1.00 0.00 H new ATOM 0 HB2 SER A 101 -16.057 1.466 8.415 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.593 1.949 9.250 1.00 0.00 H new ATOM 0 HG SER A 101 -15.840 3.771 8.538 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.344 0.920 8.722 1.00 0.00 N ATOM 1519 CA LYS A 102 -10.948 1.037 9.126 1.00 0.00 C ATOM 1520 C LYS A 102 -10.100 -0.051 8.474 1.00 0.00 C ATOM 1521 O LYS A 102 -10.406 -1.239 8.582 1.00 0.00 O ATOM 1522 CB LYS A 102 -10.827 0.948 10.649 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.587 1.630 11.201 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.805 2.115 12.625 1.00 0.00 C ATOM 1525 CE LYS A 102 -10.368 3.528 12.653 1.00 0.00 C ATOM 1526 NZ LYS A 102 -10.536 4.031 14.044 1.00 0.00 N ATOM 0 H LYS A 102 -12.944 0.460 9.407 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.580 2.008 8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.711 1.397 11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.816 -0.101 10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.747 0.935 11.177 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.321 2.474 10.565 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.488 1.440 13.140 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.860 2.088 13.168 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.703 4.195 12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.331 3.546 12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.922 4.997 14.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.190 3.410 14.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.614 4.039 14.524 1.00 0.00 H new ATOM 1540 N VAL A 103 -9.033 0.363 7.799 1.00 0.00 N ATOM 1541 CA VAL A 103 -8.139 -0.577 7.132 1.00 0.00 C ATOM 1542 C VAL A 103 -6.679 -0.220 7.384 1.00 0.00 C ATOM 1543 O VAL A 103 -6.265 0.924 7.193 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.392 -0.610 5.613 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.504 -1.649 4.946 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -9.860 -0.887 5.324 1.00 0.00 C ATOM 0 H VAL A 103 -8.766 1.342 7.699 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.347 -1.562 7.550 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.141 0.367 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.697 -1.658 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.458 -1.402 5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.720 -2.633 5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.021 -0.907 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.139 -1.850 5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.473 -0.102 5.768 1.00 0.00 H new ATOM 1556 N LYS A 104 -5.900 -1.207 7.815 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.484 -0.999 8.094 1.00 0.00 C ATOM 1558 C LYS A 104 -3.648 -1.193 6.833 1.00 0.00 C ATOM 1559 O LYS A 104 -3.560 -2.298 6.297 1.00 0.00 O ATOM 1560 CB LYS A 104 -4.011 -1.962 9.185 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.719 -1.532 9.857 1.00 0.00 C ATOM 1562 CD LYS A 104 -2.116 -2.660 10.678 1.00 0.00 C ATOM 1563 CE LYS A 104 -1.173 -3.514 9.844 1.00 0.00 C ATOM 1564 NZ LYS A 104 -1.139 -4.926 10.317 1.00 0.00 N ATOM 0 H LYS A 104 -6.226 -2.160 7.979 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.354 0.026 8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.791 -2.053 9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.872 -2.952 8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.004 -1.209 9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.911 -0.674 10.501 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.576 -2.244 11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.913 -3.284 11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.487 -3.488 8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.169 -3.093 9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.525 -5.487 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.767 -4.958 11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.101 -5.321 10.301 1.00 0.00 H new ATOM 1578 N LEU A 105 -3.034 -0.112 6.364 1.00 0.00 N ATOM 1579 CA LEU A 105 -2.203 -0.163 5.166 1.00 0.00 C ATOM 1580 C LEU A 105 -0.723 -0.222 5.532 1.00 0.00 C ATOM 1581 O LEU A 105 -0.211 0.650 6.233 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.473 1.056 4.282 1.00 0.00 C ATOM 1583 CG LEU A 105 -3.936 1.314 3.923 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.180 2.800 3.710 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -4.328 0.524 2.683 1.00 0.00 C ATOM 0 H LEU A 105 -3.096 0.810 6.795 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.458 -1.068 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.082 1.940 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.908 0.941 3.357 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.558 0.981 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.227 2.964 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.940 3.343 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.548 3.160 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.373 0.720 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.700 0.826 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.193 -0.541 2.872 1.00 0.00 H new ATOM 1597 N VAL A 106 -0.041 -1.257 5.051 1.00 0.00 N ATOM 1598 CA VAL A 106 1.381 -1.428 5.325 1.00 0.00 C ATOM 1599 C VAL A 106 2.203 -1.325 4.045 1.00 0.00 C ATOM 1600 O VAL A 106 2.280 -2.274 3.265 1.00 0.00 O ATOM 1601 CB VAL A 106 1.663 -2.786 5.995 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.157 -2.975 6.210 1.00 0.00 C ATOM 1603 CG2 VAL A 106 0.908 -2.898 7.310 1.00 0.00 C ATOM 0 H VAL A 106 -0.450 -1.989 4.470 1.00 0.00 H new ATOM 0 HA VAL A 106 1.672 -0.628 6.005 1.00 0.00 H new ATOM 0 HB VAL A 106 1.313 -3.578 5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.337 -3.940 6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.670 -2.942 5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.536 -2.179 6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.119 -3.864 7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.225 -2.100 7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.162 -2.811 7.124 1.00 0.00 H new ATOM 1613 N PHE A 107 2.817 -0.165 3.835 1.00 0.00 N ATOM 1614 CA PHE A 107 3.634 0.064 2.649 1.00 0.00 C ATOM 1615 C PHE A 107 5.028 0.551 3.035 1.00 0.00 C ATOM 1616 O PHE A 107 5.350 0.670 4.217 1.00 0.00 O ATOM 1617 CB PHE A 107 2.961 1.086 1.730 1.00 0.00 C ATOM 1618 CG PHE A 107 2.905 2.470 2.311 1.00 0.00 C ATOM 1619 CD1 PHE A 107 4.034 3.273 2.331 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.724 2.968 2.836 1.00 0.00 C ATOM 1621 CE1 PHE A 107 3.985 4.547 2.866 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.669 4.241 3.372 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.801 5.031 3.385 1.00 0.00 C ATOM 0 H PHE A 107 2.764 0.631 4.471 1.00 0.00 H new ATOM 0 HA PHE A 107 3.733 -0.883 2.118 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.499 1.120 0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 107 1.947 0.752 1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.962 2.900 1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.835 2.354 2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.872 5.163 2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.742 4.617 3.780 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.760 6.027 3.801 1.00 0.00 H new ATOM 1633 N ILE A 108 5.850 0.829 2.029 1.00 0.00 N ATOM 1634 CA ILE A 108 7.208 1.303 2.262 1.00 0.00 C ATOM 1635 C ILE A 108 7.463 2.621 1.538 1.00 0.00 C ATOM 1636 O ILE A 108 6.944 2.851 0.446 1.00 0.00 O ATOM 1637 CB ILE A 108 8.252 0.268 1.803 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.664 0.749 2.144 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.121 0.011 0.309 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.648 -0.377 2.370 1.00 0.00 C ATOM 0 H ILE A 108 5.599 0.734 1.045 1.00 0.00 H new ATOM 0 HA ILE A 108 7.308 1.456 3.336 1.00 0.00 H new ATOM 0 HB ILE A 108 8.070 -0.668 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.029 1.382 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.622 1.369 3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.865 -0.723 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.123 -0.370 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.280 0.942 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.628 0.038 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.307 -0.998 3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.720 -0.984 1.467 1.00 0.00 H new ATOM 1652 N ARG A 109 8.266 3.483 2.154 1.00 0.00 N ATOM 1653 CA ARG A 109 8.590 4.778 1.569 1.00 0.00 C ATOM 1654 C ARG A 109 10.021 4.792 1.039 1.00 0.00 C ATOM 1655 O ARG A 109 10.978 4.735 1.808 1.00 0.00 O ATOM 1656 CB ARG A 109 8.407 5.890 2.603 1.00 0.00 C ATOM 1657 CG ARG A 109 8.419 7.287 2.005 1.00 0.00 C ATOM 1658 CD ARG A 109 7.743 8.292 2.924 1.00 0.00 C ATOM 1659 NE ARG A 109 7.201 9.430 2.186 1.00 0.00 N ATOM 1660 CZ ARG A 109 7.926 10.483 1.823 1.00 0.00 C ATOM 1661 NH1 ARG A 109 9.215 10.542 2.128 1.00 0.00 N ATOM 1662 NH2 ARG A 109 7.361 11.480 1.153 1.00 0.00 N ATOM 0 H ARG A 109 8.704 3.307 3.058 1.00 0.00 H new ATOM 0 HA ARG A 109 7.910 4.952 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.463 5.736 3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.200 5.816 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.448 7.596 1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.911 7.275 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.940 7.799 3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.461 8.648 3.663 1.00 0.00 H new ATOM 0 HE ARG A 109 6.212 9.416 1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.653 9.778 2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.769 11.352 1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 109 6.370 11.438 0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 109 7.918 12.288 0.875 1.00 0.00 H new ATOM 1676 N ASN A 110 10.156 4.868 -0.281 1.00 0.00 N ATOM 1677 CA ASN A 110 11.470 4.888 -0.915 1.00 0.00 C ATOM 1678 C ASN A 110 11.543 5.977 -1.980 1.00 0.00 C ATOM 1679 O ASN A 110 10.746 5.996 -2.918 1.00 0.00 O ATOM 1680 CB ASN A 110 11.780 3.526 -1.539 1.00 0.00 C ATOM 1681 CG ASN A 110 13.198 3.442 -2.069 1.00 0.00 C ATOM 1682 OD1 ASN A 110 13.956 4.410 -2.002 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.563 2.281 -2.601 1.00 0.00 N ATOM 0 H ASN A 110 9.372 4.917 -0.932 1.00 0.00 H new ATOM 0 HA ASN A 110 12.213 5.105 -0.147 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.627 2.745 -0.794 1.00 0.00 H new ATOM 0 HB3 ASN A 110 11.079 3.334 -2.352 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.505 2.165 -2.975 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.901 1.505 -2.635 1.00 0.00 H new ATOM 1690 N GLU A 111 12.506 6.882 -1.830 1.00 0.00 N ATOM 1691 CA GLU A 111 12.682 7.974 -2.779 1.00 0.00 C ATOM 1692 C GLU A 111 13.056 7.440 -4.159 1.00 0.00 C ATOM 1693 O GLU A 111 13.062 8.181 -5.143 1.00 0.00 O ATOM 1694 CB GLU A 111 13.761 8.940 -2.285 1.00 0.00 C ATOM 1695 CG GLU A 111 15.159 8.344 -2.287 1.00 0.00 C ATOM 1696 CD GLU A 111 15.428 7.484 -1.067 1.00 0.00 C ATOM 1697 OE1 GLU A 111 15.666 8.053 0.019 1.00 0.00 O ATOM 1698 OE2 GLU A 111 15.400 6.242 -1.198 1.00 0.00 O ATOM 0 H GLU A 111 13.175 6.880 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 111 11.735 8.508 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.754 9.831 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.514 9.261 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.293 7.744 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.893 9.149 -2.329 1.00 0.00 H new ATOM 1705 N ASP A 112 13.367 6.150 -4.223 1.00 0.00 N ATOM 1706 CA ASP A 112 13.742 5.516 -5.482 1.00 0.00 C ATOM 1707 C ASP A 112 12.543 4.817 -6.116 1.00 0.00 C ATOM 1708 O ASP A 112 12.542 4.528 -7.312 1.00 0.00 O ATOM 1709 CB ASP A 112 14.872 4.511 -5.254 1.00 0.00 C ATOM 1710 CG ASP A 112 16.227 5.180 -5.140 1.00 0.00 C ATOM 1711 OD1 ASP A 112 16.339 6.170 -4.387 1.00 0.00 O ATOM 1712 OD2 ASP A 112 17.177 4.713 -5.803 1.00 0.00 O ATOM 0 H ASP A 112 13.367 5.523 -3.418 1.00 0.00 H new ATOM 0 HA ASP A 112 14.089 6.293 -6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 112 14.672 3.944 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 112 14.891 3.797 -6.077 1.00 0.00 H new ATOM 1717 N ALA A 113 11.525 4.548 -5.305 1.00 0.00 N ATOM 1718 CA ALA A 113 10.320 3.884 -5.787 1.00 0.00 C ATOM 1719 C ALA A 113 9.777 4.570 -7.037 1.00 0.00 C ATOM 1720 O ALA A 113 9.525 3.922 -8.053 1.00 0.00 O ATOM 1721 CB ALA A 113 9.260 3.857 -4.696 1.00 0.00 C ATOM 0 H ALA A 113 11.511 4.780 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 113 10.581 2.859 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.366 3.358 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.642 3.316 -3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.011 4.878 -4.405 1.00 0.00 H new ATOM 1727 N VAL A 114 9.599 5.884 -6.955 1.00 0.00 N ATOM 1728 CA VAL A 114 9.087 6.658 -8.079 1.00 0.00 C ATOM 1729 C VAL A 114 9.814 6.298 -9.370 1.00 0.00 C ATOM 1730 O VAL A 114 9.239 6.362 -10.456 1.00 0.00 O ATOM 1731 CB VAL A 114 9.227 8.171 -7.830 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.358 8.602 -6.658 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.683 8.539 -7.587 1.00 0.00 C ATOM 0 H VAL A 114 9.802 6.435 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 114 8.030 6.410 -8.178 1.00 0.00 H new ATOM 0 HB VAL A 114 8.886 8.701 -8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.470 9.674 -6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.314 8.375 -6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.666 8.066 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.763 9.612 -7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.053 8.001 -6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.277 8.268 -8.460 1.00 0.00 H new ATOM 1743 N ASN A 115 11.081 5.917 -9.244 1.00 0.00 N ATOM 1744 CA ASN A 115 11.887 5.546 -10.401 1.00 0.00 C ATOM 1745 C ASN A 115 11.607 4.106 -10.819 1.00 0.00 C ATOM 1746 O ASN A 115 11.773 3.745 -11.984 1.00 0.00 O ATOM 1747 CB ASN A 115 13.375 5.719 -10.089 1.00 0.00 C ATOM 1748 CG ASN A 115 13.722 7.142 -9.695 1.00 0.00 C ATOM 1749 OD1 ASN A 115 13.083 8.095 -10.143 1.00 0.00 O ATOM 1750 ND2 ASN A 115 14.738 7.292 -8.854 1.00 0.00 N ATOM 0 H ASN A 115 11.572 5.857 -8.352 1.00 0.00 H new ATOM 0 HA ASN A 115 11.617 6.204 -11.227 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.655 5.043 -9.281 1.00 0.00 H new ATOM 0 HB3 ASN A 115 13.962 5.433 -10.962 1.00 0.00 H new ATOM 0 HD21 ASN A 115 15.018 8.226 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.239 6.474 -8.508 1.00 0.00 H new ATOM 1757 N GLN A 116 11.182 3.289 -9.861 1.00 0.00 N ATOM 1758 CA GLN A 116 10.880 1.888 -10.130 1.00 0.00 C ATOM 1759 C GLN A 116 9.484 1.738 -10.727 1.00 0.00 C ATOM 1760 O GLN A 116 9.314 1.139 -11.788 1.00 0.00 O ATOM 1761 CB GLN A 116 10.990 1.065 -8.846 1.00 0.00 C ATOM 1762 CG GLN A 116 12.388 1.053 -8.249 1.00 0.00 C ATOM 1763 CD GLN A 116 12.564 -0.024 -7.197 1.00 0.00 C ATOM 1764 OE1 GLN A 116 11.803 -0.991 -7.148 1.00 0.00 O ATOM 1765 NE2 GLN A 116 13.572 0.137 -6.347 1.00 0.00 N ATOM 0 H GLN A 116 11.039 3.573 -8.892 1.00 0.00 H new ATOM 0 HA GLN A 116 11.607 1.518 -10.853 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.292 1.462 -8.109 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.684 0.040 -9.054 1.00 0.00 H new ATOM 0 HG2 GLN A 116 13.117 0.901 -9.045 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.598 2.026 -7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.178 0.954 -6.424 1.00 0.00 H new ATOM 0 HE22 GLN A 116 13.740 -0.556 -5.618 1.00 0.00 H new ATOM 1774 N MET A 117 8.489 2.284 -10.036 1.00 0.00 N ATOM 1775 CA MET A 117 7.108 2.211 -10.499 1.00 0.00 C ATOM 1776 C MET A 117 7.022 2.474 -11.999 1.00 0.00 C ATOM 1777 O MET A 117 7.976 2.955 -12.610 1.00 0.00 O ATOM 1778 CB MET A 117 6.240 3.219 -9.743 1.00 0.00 C ATOM 1779 CG MET A 117 6.919 4.560 -9.521 1.00 0.00 C ATOM 1780 SD MET A 117 5.750 5.932 -9.476 1.00 0.00 S ATOM 1781 CE MET A 117 5.385 6.008 -7.724 1.00 0.00 C ATOM 0 H MET A 117 8.613 2.781 -9.154 1.00 0.00 H new ATOM 0 HA MET A 117 6.739 1.204 -10.303 1.00 0.00 H new ATOM 0 HB2 MET A 117 5.315 3.377 -10.297 1.00 0.00 H new ATOM 0 HB3 MET A 117 5.965 2.796 -8.777 1.00 0.00 H new ATOM 0 HG2 MET A 117 7.475 4.531 -8.584 1.00 0.00 H new ATOM 0 HG3 MET A 117 7.644 4.732 -10.316 1.00 0.00 H new ATOM 0 HE1 MET A 117 4.338 6.274 -7.582 1.00 0.00 H new ATOM 0 HE2 MET A 117 5.578 5.036 -7.270 1.00 0.00 H new ATOM 0 HE3 MET A 117 6.017 6.760 -7.253 1.00 0.00 H new ATOM 1791 N ALA A 118 5.874 2.154 -12.587 1.00 0.00 N ATOM 1792 CA ALA A 118 5.664 2.357 -14.015 1.00 0.00 C ATOM 1793 C ALA A 118 5.022 3.713 -14.288 1.00 0.00 C ATOM 1794 O ALA A 118 5.225 4.304 -15.348 1.00 0.00 O ATOM 1795 CB ALA A 118 4.805 1.239 -14.587 1.00 0.00 C ATOM 0 H ALA A 118 5.075 1.753 -12.096 1.00 0.00 H new ATOM 0 HA ALA A 118 6.637 2.339 -14.506 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.657 1.404 -15.654 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.304 0.282 -14.434 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.838 1.229 -14.084 1.00 0.00 H new