USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 844 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 55 GLN : amide:sc= -0.627 X(o=-0.75,f=-0.3) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= -0.119 USER MOD Set 2.1: A 93 LYS NZ :NH3+ -106:sc= 1.64 (180deg=0.148) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= -0.163 USER MOD Set 3.1: A 87 MET CE :methyl -164:sc= -1.53 (180deg=0) USER MOD Set 3.2: A 113 CYS SG : rot 180:sc= -2.66 USER MOD Set 4.1: A 50 ASN : amide:sc= -1.4! C(o=-0.76!,f=-12!) USER MOD Set 4.2: A 52 THR OG1 : rot 78:sc= 0.643 USER MOD Single : A 16 ASN : amide:sc= -0.644 K(o=-0.64,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -2.35 (180deg=-4.13!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 12:sc= -0.236 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -6.6! C(o=-6.6!,f=-10!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.58 F(o=-2.3,f=-1.6) USER MOD Single : A 45 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.0067) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -42:sc= -0.717 USER MOD Single : A 80 MET CE :methyl -129:sc= -2.56 (180deg=-3.56!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 56:sc= 0.19 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 154:sc= -2.08 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HD1:sc= -0.374 F(o=-1.2,f=-0.37) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 119 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0792) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.306 -11.545 3.775 1.00 0.00 N ATOM 121 CA LEU A 11 -7.322 -11.633 2.733 1.00 0.00 C ATOM 122 C LEU A 11 -6.680 -11.764 1.355 1.00 0.00 C ATOM 123 O LEU A 11 -5.763 -11.017 1.013 1.00 0.00 O ATOM 124 CB LEU A 11 -8.228 -10.401 2.771 1.00 0.00 C ATOM 125 CG LEU A 11 -9.105 -10.174 1.539 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.399 -9.475 1.926 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.354 -9.367 0.490 1.00 0.00 C ATOM 0 HA LEU A 11 -7.922 -12.524 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.876 -10.478 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.603 -9.520 2.915 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.354 -11.145 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.010 -9.322 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.946 -10.091 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.170 -8.510 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.994 -9.215 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.073 -8.400 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.456 -9.907 0.190 1.00 0.00 H new ATOM 139 N ASP A 12 -7.170 -12.716 0.568 1.00 0.00 N ATOM 140 CA ASP A 12 -6.646 -12.943 -0.774 1.00 0.00 C ATOM 141 C ASP A 12 -7.370 -12.070 -1.794 1.00 0.00 C ATOM 142 O ASP A 12 -8.498 -12.366 -2.189 1.00 0.00 O ATOM 143 CB ASP A 12 -6.785 -14.417 -1.156 1.00 0.00 C ATOM 144 CG ASP A 12 -8.098 -15.015 -0.691 1.00 0.00 C ATOM 145 OD1 ASP A 12 -8.258 -15.219 0.530 1.00 0.00 O ATOM 146 OD2 ASP A 12 -8.967 -15.276 -1.549 1.00 0.00 O ATOM 0 H ASP A 12 -7.929 -13.343 0.836 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.590 -12.673 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.707 -14.518 -2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.959 -14.981 -0.723 1.00 0.00 H new ATOM 151 N ILE A 13 -6.715 -10.993 -2.216 1.00 0.00 N ATOM 152 CA ILE A 13 -7.296 -10.078 -3.190 1.00 0.00 C ATOM 153 C ILE A 13 -7.332 -10.705 -4.579 1.00 0.00 C ATOM 154 O ILE A 13 -8.234 -10.431 -5.373 1.00 0.00 O ATOM 155 CB ILE A 13 -6.512 -8.754 -3.256 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.734 -7.940 -1.979 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.928 -7.953 -4.480 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.680 -6.880 -1.747 1.00 0.00 C ATOM 0 H ILE A 13 -5.781 -10.733 -1.898 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.314 -9.871 -2.861 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.449 -8.982 -3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.713 -7.463 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.751 -8.617 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.365 -7.020 -4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.723 -8.532 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.994 -7.732 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.901 -6.343 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.701 -7.352 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.678 -6.180 -2.583 1.00 0.00 H new ATOM 170 N LEU A 14 -6.347 -11.548 -4.868 1.00 0.00 N ATOM 171 CA LEU A 14 -6.267 -12.216 -6.162 1.00 0.00 C ATOM 172 C LEU A 14 -6.691 -13.677 -6.048 1.00 0.00 C ATOM 173 O LEU A 14 -7.203 -14.262 -7.002 1.00 0.00 O ATOM 174 CB LEU A 14 -4.843 -12.129 -6.715 1.00 0.00 C ATOM 175 CG LEU A 14 -4.219 -10.733 -6.745 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.702 -10.826 -6.701 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.673 -9.973 -7.983 1.00 0.00 C ATOM 0 H LEU A 14 -5.593 -11.785 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.949 -11.711 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.203 -12.779 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.844 -12.527 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.555 -10.186 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.275 -9.823 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.395 -11.331 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.347 -11.391 -7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.219 -8.982 -7.988 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.367 -10.517 -8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.759 -9.875 -7.972 1.00 0.00 H new ATOM 189 N GLY A 15 -6.477 -14.261 -4.872 1.00 0.00 N ATOM 190 CA GLY A 15 -6.845 -15.647 -4.655 1.00 0.00 C ATOM 191 C GLY A 15 -5.645 -16.573 -4.658 1.00 0.00 C ATOM 192 O GLY A 15 -5.638 -17.593 -3.971 1.00 0.00 O ATOM 0 H GLY A 15 -6.055 -13.798 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.366 -15.736 -3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.543 -15.960 -5.431 1.00 0.00 H new ATOM 196 N ASN A 16 -4.628 -16.218 -5.437 1.00 0.00 N ATOM 197 CA ASN A 16 -3.418 -17.027 -5.529 1.00 0.00 C ATOM 198 C ASN A 16 -2.756 -17.173 -4.163 1.00 0.00 C ATOM 199 O ASN A 16 -2.468 -18.283 -3.716 1.00 0.00 O ATOM 200 CB ASN A 16 -2.435 -16.399 -6.520 1.00 0.00 C ATOM 201 CG ASN A 16 -3.110 -15.961 -7.805 1.00 0.00 C ATOM 202 OD1 ASN A 16 -4.254 -16.328 -8.075 1.00 0.00 O ATOM 203 ND2 ASN A 16 -2.402 -15.173 -8.606 1.00 0.00 N ATOM 0 H ASN A 16 -4.618 -15.376 -6.013 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.699 -18.018 -5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.954 -15.539 -6.054 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.649 -17.117 -6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.803 -14.847 -9.485 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.457 -14.894 -8.342 1.00 0.00 H new ATOM 210 N GLY A 17 -2.517 -16.044 -3.502 1.00 0.00 N ATOM 211 CA GLY A 17 -1.892 -16.068 -2.193 1.00 0.00 C ATOM 212 C GLY A 17 -0.765 -15.062 -2.070 1.00 0.00 C ATOM 213 O GLY A 17 -0.218 -14.859 -0.985 1.00 0.00 O ATOM 0 H GLY A 17 -2.745 -15.113 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.644 -15.862 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.505 -17.068 -1.997 1.00 0.00 H new ATOM 217 N LEU A 18 -0.414 -14.430 -3.185 1.00 0.00 N ATOM 218 CA LEU A 18 0.657 -13.439 -3.198 1.00 0.00 C ATOM 219 C LEU A 18 0.184 -12.118 -2.601 1.00 0.00 C ATOM 220 O LEU A 18 0.637 -11.711 -1.531 1.00 0.00 O ATOM 221 CB LEU A 18 1.155 -13.217 -4.628 1.00 0.00 C ATOM 222 CG LEU A 18 2.025 -14.328 -5.215 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.211 -14.614 -4.307 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.203 -15.590 -5.435 1.00 0.00 C ATOM 0 H LEU A 18 -0.855 -14.586 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 18 1.477 -13.818 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.289 -13.080 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.722 -12.287 -4.654 1.00 0.00 H new ATOM 0 HG LEU A 18 2.405 -13.993 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.819 -15.408 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.814 -13.712 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.852 -14.927 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.839 -16.370 -5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.793 -15.928 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.388 -15.377 -6.126 1.00 0.00 H new ATOM 236 N LEU A 19 -0.730 -11.453 -3.299 1.00 0.00 N ATOM 237 CA LEU A 19 -1.267 -10.178 -2.837 1.00 0.00 C ATOM 238 C LEU A 19 -2.262 -10.386 -1.699 1.00 0.00 C ATOM 239 O LEU A 19 -3.388 -10.831 -1.920 1.00 0.00 O ATOM 240 CB LEU A 19 -1.944 -9.438 -3.992 1.00 0.00 C ATOM 241 CG LEU A 19 -2.443 -8.026 -3.685 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.271 -7.087 -3.442 1.00 0.00 C ATOM 243 CD2 LEU A 19 -3.316 -7.509 -4.819 1.00 0.00 C ATOM 0 H LEU A 19 -1.115 -11.776 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.438 -9.577 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.240 -9.380 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.790 -10.035 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.046 -8.064 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.645 -6.087 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.686 -7.447 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.641 -7.054 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.662 -6.503 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.737 -7.486 -5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.175 -8.167 -4.946 1.00 0.00 H new ATOM 255 N ARG A 20 -1.838 -10.059 -0.483 1.00 0.00 N ATOM 256 CA ARG A 20 -2.692 -10.209 0.689 1.00 0.00 C ATOM 257 C ARG A 20 -2.970 -8.856 1.337 1.00 0.00 C ATOM 258 O ARG A 20 -2.180 -7.920 1.209 1.00 0.00 O ATOM 259 CB ARG A 20 -2.039 -11.149 1.705 1.00 0.00 C ATOM 260 CG ARG A 20 -2.083 -12.612 1.297 1.00 0.00 C ATOM 261 CD ARG A 20 -0.900 -13.383 1.862 1.00 0.00 C ATOM 262 NE ARG A 20 0.352 -13.030 1.198 1.00 0.00 N ATOM 263 CZ ARG A 20 1.551 -13.252 1.724 1.00 0.00 C ATOM 264 NH1 ARG A 20 1.661 -13.824 2.915 1.00 0.00 N ATOM 265 NH2 ARG A 20 2.644 -12.902 1.058 1.00 0.00 N ATOM 0 H ARG A 20 -0.909 -9.689 -0.284 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.640 -10.638 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.000 -10.851 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.538 -11.034 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.012 -13.061 1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.083 -12.688 0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.813 -13.182 2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.079 -14.453 1.753 1.00 0.00 H new ATOM 0 HE ARG A 20 0.303 -12.589 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.823 -14.095 3.430 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.583 -13.993 3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.564 -12.462 0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.565 -13.073 1.463 1.00 0.00 H new ATOM 279 N LYS A 21 -4.098 -8.759 2.033 1.00 0.00 N ATOM 280 CA LYS A 21 -4.480 -7.521 2.701 1.00 0.00 C ATOM 281 C LYS A 21 -4.826 -7.777 4.165 1.00 0.00 C ATOM 282 O LYS A 21 -5.556 -8.715 4.486 1.00 0.00 O ATOM 283 CB LYS A 21 -5.674 -6.880 1.989 1.00 0.00 C ATOM 284 CG LYS A 21 -5.991 -5.477 2.476 1.00 0.00 C ATOM 285 CD LYS A 21 -7.125 -4.853 1.679 1.00 0.00 C ATOM 286 CE LYS A 21 -8.479 -5.176 2.290 1.00 0.00 C ATOM 287 NZ LYS A 21 -9.047 -6.440 1.745 1.00 0.00 N ATOM 0 H LYS A 21 -4.763 -9.523 2.149 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.631 -6.839 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.473 -6.847 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.552 -7.511 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.262 -5.510 3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.101 -4.853 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.991 -3.772 1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.092 -5.216 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.378 -5.260 3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.169 -4.355 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.080 -6.435 1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.814 -6.518 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.644 -7.251 2.257 1.00 0.00 H new ATOM 301 N LYS A 22 -4.297 -6.938 5.048 1.00 0.00 N ATOM 302 CA LYS A 22 -4.551 -7.071 6.478 1.00 0.00 C ATOM 303 C LYS A 22 -4.945 -5.730 7.088 1.00 0.00 C ATOM 304 O LYS A 22 -4.091 -4.886 7.364 1.00 0.00 O ATOM 305 CB LYS A 22 -3.312 -7.622 7.188 1.00 0.00 C ATOM 306 CG LYS A 22 -3.446 -7.664 8.700 1.00 0.00 C ATOM 307 CD LYS A 22 -2.373 -8.536 9.331 1.00 0.00 C ATOM 308 CE LYS A 22 -1.129 -7.729 9.671 1.00 0.00 C ATOM 309 NZ LYS A 22 -0.132 -8.539 10.424 1.00 0.00 N ATOM 0 H LYS A 22 -3.689 -6.158 4.799 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.379 -7.768 6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.111 -8.629 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.450 -7.009 6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.376 -6.653 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.431 -8.046 8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.765 -9.001 10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.109 -9.343 8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.675 -7.357 8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.411 -6.858 10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.701 -7.954 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.556 -8.874 11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.157 -9.356 9.849 1.00 0.00 H new ATOM 323 N THR A 23 -6.244 -5.538 7.298 1.00 0.00 N ATOM 324 CA THR A 23 -6.751 -4.300 7.876 1.00 0.00 C ATOM 325 C THR A 23 -6.199 -4.083 9.280 1.00 0.00 C ATOM 326 O THR A 23 -6.655 -4.705 10.241 1.00 0.00 O ATOM 327 CB THR A 23 -8.290 -4.296 7.934 1.00 0.00 C ATOM 328 OG1 THR A 23 -8.831 -4.523 6.628 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.807 -2.974 8.480 1.00 0.00 C ATOM 0 H THR A 23 -6.964 -6.225 7.076 1.00 0.00 H new ATOM 0 HA THR A 23 -6.418 -3.489 7.229 1.00 0.00 H new ATOM 0 HB THR A 23 -8.608 -5.096 8.602 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.810 -4.521 6.674 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.896 -2.995 8.512 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.418 -2.819 9.486 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.478 -2.160 7.834 1.00 0.00 H new ATOM 337 N LEU A 24 -5.217 -3.196 9.394 1.00 0.00 N ATOM 338 CA LEU A 24 -4.603 -2.896 10.683 1.00 0.00 C ATOM 339 C LEU A 24 -5.556 -2.097 11.567 1.00 0.00 C ATOM 340 O LEU A 24 -5.700 -2.379 12.756 1.00 0.00 O ATOM 341 CB LEU A 24 -3.302 -2.116 10.481 1.00 0.00 C ATOM 342 CG LEU A 24 -2.236 -2.800 9.625 1.00 0.00 C ATOM 343 CD1 LEU A 24 -0.980 -1.946 9.554 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.913 -4.181 10.177 1.00 0.00 C ATOM 0 H LEU A 24 -4.829 -2.672 8.610 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.380 -3.840 11.180 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.544 -1.156 10.025 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.873 -1.905 11.460 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.629 -2.917 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.232 -2.449 8.941 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.222 -0.979 9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.584 -1.797 10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.152 -4.653 9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.540 -4.087 11.197 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.815 -4.794 10.175 1.00 0.00 H new ATOM 356 N VAL A 25 -6.207 -1.099 10.976 1.00 0.00 N ATOM 357 CA VAL A 25 -7.149 -0.262 11.709 1.00 0.00 C ATOM 358 C VAL A 25 -8.327 0.139 10.828 1.00 0.00 C ATOM 359 O VAL A 25 -8.186 0.894 9.866 1.00 0.00 O ATOM 360 CB VAL A 25 -6.468 1.010 12.247 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.476 1.891 12.969 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.311 0.647 13.166 1.00 0.00 C ATOM 0 H VAL A 25 -6.099 -0.851 9.992 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.512 -0.854 12.549 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.069 1.572 11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.976 2.785 13.342 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.268 2.180 12.278 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.907 1.341 13.805 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.841 1.558 13.537 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.684 0.063 14.007 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.578 0.060 12.613 1.00 0.00 H new ATOM 372 N PRO A 26 -9.519 -0.376 11.164 1.00 0.00 N ATOM 373 CA PRO A 26 -10.746 -0.084 10.417 1.00 0.00 C ATOM 374 C PRO A 26 -11.208 1.357 10.601 1.00 0.00 C ATOM 375 O PRO A 26 -10.862 2.009 11.585 1.00 0.00 O ATOM 376 CB PRO A 26 -11.767 -1.054 11.020 1.00 0.00 C ATOM 377 CG PRO A 26 -11.260 -1.331 12.393 1.00 0.00 C ATOM 378 CD PRO A 26 -9.760 -1.282 12.299 1.00 0.00 C ATOM 0 HA PRO A 26 -10.607 -0.203 9.342 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.764 -0.613 11.047 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.839 -1.969 10.432 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.631 -0.591 13.102 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.597 -2.306 12.744 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.312 -0.903 13.218 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.336 -2.270 12.121 1.00 0.00 H new ATOM 386 N GLY A 27 -11.992 1.849 9.646 1.00 0.00 N ATOM 387 CA GLY A 27 -12.488 3.211 9.722 1.00 0.00 C ATOM 388 C GLY A 27 -13.916 3.280 10.227 1.00 0.00 C ATOM 389 O GLY A 27 -14.563 2.260 10.464 1.00 0.00 O ATOM 0 H GLY A 27 -12.292 1.329 8.822 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.844 3.793 10.381 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.432 3.671 8.735 1.00 0.00 H new ATOM 393 N PRO A 28 -14.427 4.508 10.402 1.00 0.00 N ATOM 394 CA PRO A 28 -15.792 4.735 10.885 1.00 0.00 C ATOM 395 C PRO A 28 -16.845 4.336 9.857 1.00 0.00 C ATOM 396 O PRO A 28 -16.556 4.157 8.674 1.00 0.00 O ATOM 397 CB PRO A 28 -15.833 6.245 11.134 1.00 0.00 C ATOM 398 CG PRO A 28 -14.795 6.807 10.224 1.00 0.00 C ATOM 399 CD PRO A 28 -13.712 5.768 10.139 1.00 0.00 C ATOM 0 HA PRO A 28 -16.017 4.137 11.768 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.818 6.656 10.913 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.616 6.481 12.176 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.212 7.017 9.239 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.404 7.748 10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.236 5.763 9.158 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.926 5.945 10.874 1.00 0.00 H new ATOM 407 N PRO A 29 -18.097 4.193 10.317 1.00 0.00 N ATOM 408 CA PRO A 29 -19.219 3.814 9.453 1.00 0.00 C ATOM 409 C PRO A 29 -19.599 4.923 8.477 1.00 0.00 C ATOM 410 O PRO A 29 -20.501 4.759 7.657 1.00 0.00 O ATOM 411 CB PRO A 29 -20.359 3.559 10.442 1.00 0.00 C ATOM 412 CG PRO A 29 -20.016 4.383 11.635 1.00 0.00 C ATOM 413 CD PRO A 29 -18.514 4.391 11.715 1.00 0.00 C ATOM 0 HA PRO A 29 -18.979 2.954 8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.321 3.852 10.022 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.432 2.502 10.698 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.407 5.396 11.535 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.453 3.960 12.540 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.138 5.332 12.117 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -18.142 3.596 12.362 1.00 0.00 H new ATOM 421 N GLY A 30 -18.904 6.052 8.571 1.00 0.00 N ATOM 422 CA GLY A 30 -19.184 7.171 7.690 1.00 0.00 C ATOM 423 C GLY A 30 -18.317 7.161 6.447 1.00 0.00 C ATOM 424 O GLY A 30 -18.769 7.533 5.364 1.00 0.00 O ATOM 0 H GLY A 30 -18.152 6.212 9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.234 7.145 7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -19.027 8.104 8.231 1.00 0.00 H new ATOM 428 N SER A 31 -17.067 6.735 6.602 1.00 0.00 N ATOM 429 CA SER A 31 -16.133 6.683 5.483 1.00 0.00 C ATOM 430 C SER A 31 -16.705 5.854 4.337 1.00 0.00 C ATOM 431 O SER A 31 -17.777 5.262 4.458 1.00 0.00 O ATOM 432 CB SER A 31 -14.795 6.095 5.935 1.00 0.00 C ATOM 433 OG SER A 31 -14.980 5.144 6.969 1.00 0.00 O ATOM 0 H SER A 31 -16.678 6.421 7.491 1.00 0.00 H new ATOM 0 HA SER A 31 -15.972 7.701 5.128 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.296 5.624 5.088 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.142 6.895 6.285 1.00 0.00 H new ATOM 0 HG SER A 31 -15.932 4.924 7.045 1.00 0.00 H new ATOM 439 N SER A 32 -15.980 5.817 3.223 1.00 0.00 N ATOM 440 CA SER A 32 -16.415 5.065 2.052 1.00 0.00 C ATOM 441 C SER A 32 -15.305 4.996 1.007 1.00 0.00 C ATOM 442 O SER A 32 -14.563 5.958 0.810 1.00 0.00 O ATOM 443 CB SER A 32 -17.665 5.704 1.444 1.00 0.00 C ATOM 444 OG SER A 32 -17.523 7.111 1.351 1.00 0.00 O ATOM 0 H SER A 32 -15.089 6.299 3.107 1.00 0.00 H new ATOM 0 HA SER A 32 -16.653 4.050 2.371 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.845 5.287 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.535 5.462 2.055 1.00 0.00 H new ATOM 0 HG SER A 32 -18.334 7.496 0.958 1.00 0.00 H new ATOM 450 N ARG A 33 -15.199 3.851 0.341 1.00 0.00 N ATOM 451 CA ARG A 33 -14.180 3.655 -0.683 1.00 0.00 C ATOM 452 C ARG A 33 -14.198 4.797 -1.694 1.00 0.00 C ATOM 453 O ARG A 33 -15.252 5.228 -2.162 1.00 0.00 O ATOM 454 CB ARG A 33 -14.397 2.321 -1.400 1.00 0.00 C ATOM 455 CG ARG A 33 -14.432 1.124 -0.463 1.00 0.00 C ATOM 456 CD ARG A 33 -13.046 0.527 -0.270 1.00 0.00 C ATOM 457 NE ARG A 33 -12.988 -0.355 0.892 1.00 0.00 N ATOM 458 CZ ARG A 33 -13.528 -1.568 0.921 1.00 0.00 C ATOM 459 NH1 ARG A 33 -14.163 -2.041 -0.142 1.00 0.00 N ATOM 460 NH2 ARG A 33 -13.432 -2.312 2.016 1.00 0.00 N ATOM 0 H ARG A 33 -15.806 3.045 0.492 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.206 3.642 -0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.334 2.365 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.601 2.177 -2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.836 1.428 0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.103 0.365 -0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.764 -0.031 -1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.318 1.330 -0.152 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.507 -0.021 1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.238 -1.473 -0.986 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.577 -2.973 -0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.943 -1.952 2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.847 -3.244 2.038 1.00 0.00 H new ATOM 474 N PRO A 34 -13.004 5.301 -2.040 1.00 0.00 N ATOM 475 CA PRO A 34 -12.856 6.400 -2.999 1.00 0.00 C ATOM 476 C PRO A 34 -13.199 5.977 -4.423 1.00 0.00 C ATOM 477 O PRO A 34 -13.810 4.930 -4.640 1.00 0.00 O ATOM 478 CB PRO A 34 -11.373 6.766 -2.892 1.00 0.00 C ATOM 479 CG PRO A 34 -10.709 5.521 -2.414 1.00 0.00 C ATOM 480 CD PRO A 34 -11.706 4.836 -1.521 1.00 0.00 C ATOM 0 HA PRO A 34 -13.531 7.227 -2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.973 7.083 -3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -11.218 7.590 -2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.431 4.881 -3.251 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.792 5.751 -1.871 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.616 3.751 -1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.568 5.114 -0.476 1.00 0.00 H new ATOM 488 N VAL A 35 -12.801 6.796 -5.391 1.00 0.00 N ATOM 489 CA VAL A 35 -13.066 6.506 -6.795 1.00 0.00 C ATOM 490 C VAL A 35 -11.767 6.349 -7.578 1.00 0.00 C ATOM 491 O VAL A 35 -10.726 6.879 -7.187 1.00 0.00 O ATOM 492 CB VAL A 35 -13.915 7.613 -7.447 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.401 8.987 -7.045 1.00 0.00 C ATOM 494 CG2 VAL A 35 -13.920 7.458 -8.960 1.00 0.00 C ATOM 0 H VAL A 35 -12.294 7.666 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.621 5.568 -6.825 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.941 7.517 -7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.013 9.756 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.454 9.093 -5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.366 9.098 -7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.525 8.248 -9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.899 7.527 -9.336 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.340 6.488 -9.225 1.00 0.00 H new ATOM 504 N LYS A 36 -11.834 5.619 -8.686 1.00 0.00 N ATOM 505 CA LYS A 36 -10.665 5.394 -9.527 1.00 0.00 C ATOM 506 C LYS A 36 -10.486 6.531 -10.527 1.00 0.00 C ATOM 507 O LYS A 36 -11.345 6.764 -11.377 1.00 0.00 O ATOM 508 CB LYS A 36 -10.795 4.062 -10.270 1.00 0.00 C ATOM 509 CG LYS A 36 -9.777 3.886 -11.384 1.00 0.00 C ATOM 510 CD LYS A 36 -9.997 2.586 -12.139 1.00 0.00 C ATOM 511 CE LYS A 36 -9.449 2.664 -13.556 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.102 1.677 -14.459 1.00 0.00 N ATOM 0 H LYS A 36 -12.687 5.173 -9.023 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.786 5.360 -8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.686 3.245 -9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.798 3.986 -10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.844 4.726 -12.076 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.771 3.899 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.513 1.768 -11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.063 2.359 -12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.599 3.670 -13.948 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.374 2.485 -13.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.701 1.762 -15.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.938 0.715 -14.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.125 1.863 -14.495 1.00 0.00 H new ATOM 526 N GLY A 37 -9.364 7.236 -10.421 1.00 0.00 N ATOM 527 CA GLY A 37 -9.093 8.340 -11.324 1.00 0.00 C ATOM 528 C GLY A 37 -8.972 9.665 -10.599 1.00 0.00 C ATOM 529 O GLY A 37 -8.932 10.722 -11.228 1.00 0.00 O ATOM 0 H GLY A 37 -8.638 7.063 -9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.170 8.142 -11.869 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.891 8.405 -12.063 1.00 0.00 H new ATOM 533 N GLN A 38 -8.914 9.609 -9.272 1.00 0.00 N ATOM 534 CA GLN A 38 -8.799 10.816 -8.461 1.00 0.00 C ATOM 535 C GLN A 38 -7.453 10.865 -7.746 1.00 0.00 C ATOM 536 O GLN A 38 -6.676 9.912 -7.797 1.00 0.00 O ATOM 537 CB GLN A 38 -9.935 10.879 -7.439 1.00 0.00 C ATOM 538 CG GLN A 38 -11.275 11.269 -8.042 1.00 0.00 C ATOM 539 CD GLN A 38 -12.160 12.017 -7.063 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.308 11.637 -6.832 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.629 13.086 -6.483 1.00 0.00 N ATOM 0 H GLN A 38 -8.945 8.742 -8.736 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.869 11.678 -9.125 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.032 9.907 -6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.673 11.596 -6.661 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.106 11.890 -8.921 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.792 10.371 -8.381 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.673 13.364 -6.705 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.177 13.629 -5.816 1.00 0.00 H new ATOM 550 N VAL A 39 -7.183 11.984 -7.080 1.00 0.00 N ATOM 551 CA VAL A 39 -5.931 12.158 -6.354 1.00 0.00 C ATOM 552 C VAL A 39 -6.016 11.550 -4.959 1.00 0.00 C ATOM 553 O VAL A 39 -6.637 12.117 -4.059 1.00 0.00 O ATOM 554 CB VAL A 39 -5.555 13.646 -6.232 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.305 13.814 -5.380 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.358 14.261 -7.609 1.00 0.00 C ATOM 0 H VAL A 39 -7.815 12.783 -7.029 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.159 11.642 -6.925 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.374 14.170 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.055 14.872 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.488 13.413 -4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.476 13.277 -5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.093 15.313 -7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.558 13.736 -8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.282 14.176 -8.181 1.00 0.00 H new ATOM 566 N VAL A 40 -5.386 10.392 -4.784 1.00 0.00 N ATOM 567 CA VAL A 40 -5.389 9.707 -3.497 1.00 0.00 C ATOM 568 C VAL A 40 -4.060 9.891 -2.774 1.00 0.00 C ATOM 569 O VAL A 40 -2.991 9.719 -3.360 1.00 0.00 O ATOM 570 CB VAL A 40 -5.665 8.201 -3.664 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.160 7.922 -3.607 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.069 7.691 -4.967 1.00 0.00 C ATOM 0 H VAL A 40 -4.867 9.909 -5.518 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.187 10.152 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.189 7.669 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.335 6.853 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.555 8.249 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.662 8.464 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.274 6.625 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.514 8.227 -5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.991 7.855 -4.963 1.00 0.00 H new ATOM 582 N THR A 41 -4.133 10.243 -1.494 1.00 0.00 N ATOM 583 CA THR A 41 -2.936 10.452 -0.689 1.00 0.00 C ATOM 584 C THR A 41 -2.894 9.492 0.494 1.00 0.00 C ATOM 585 O THR A 41 -3.780 9.505 1.349 1.00 0.00 O ATOM 586 CB THR A 41 -2.857 11.898 -0.164 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.148 12.819 -1.222 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.478 12.193 0.406 1.00 0.00 C ATOM 0 H THR A 41 -5.009 10.389 -0.993 1.00 0.00 H new ATOM 0 HA THR A 41 -2.082 10.262 -1.339 1.00 0.00 H new ATOM 0 HB THR A 41 -3.593 12.013 0.631 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.098 13.736 -0.880 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.447 13.220 0.770 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.271 11.509 1.229 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.727 12.061 -0.373 1.00 0.00 H new ATOM 596 N VAL A 42 -1.859 8.659 0.538 1.00 0.00 N ATOM 597 CA VAL A 42 -1.701 7.692 1.618 1.00 0.00 C ATOM 598 C VAL A 42 -0.244 7.593 2.057 1.00 0.00 C ATOM 599 O VAL A 42 0.643 8.183 1.441 1.00 0.00 O ATOM 600 CB VAL A 42 -2.195 6.295 1.198 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.457 6.406 0.356 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.105 5.549 0.443 1.00 0.00 C ATOM 0 H VAL A 42 -1.117 8.634 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.306 8.047 2.452 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.435 5.728 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.791 5.409 0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.239 6.898 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.247 6.990 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.471 4.564 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.831 6.111 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.230 5.437 1.083 1.00 0.00 H new ATOM 612 N HIS A 43 -0.005 6.842 3.128 1.00 0.00 N ATOM 613 CA HIS A 43 1.345 6.664 3.650 1.00 0.00 C ATOM 614 C HIS A 43 1.844 5.245 3.394 1.00 0.00 C ATOM 615 O HIS A 43 1.415 4.296 4.052 1.00 0.00 O ATOM 616 CB HIS A 43 1.379 6.966 5.149 1.00 0.00 C ATOM 617 CG HIS A 43 2.762 6.998 5.722 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.896 6.368 5.335 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 3.100 7.744 6.832 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.888 6.743 6.207 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.382 7.573 7.101 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.728 6.348 3.651 1.00 0.00 H new ATOM 0 HA HIS A 43 2.003 7.361 3.131 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.898 7.927 5.329 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.793 6.213 5.676 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.422 8.370 7.393 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.916 6.413 6.168 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.894 8.008 7.869 1.00 0.00 H new ATOM 630 N LEU A 44 2.752 5.107 2.434 1.00 0.00 N ATOM 631 CA LEU A 44 3.309 3.803 2.090 1.00 0.00 C ATOM 632 C LEU A 44 4.721 3.650 2.648 1.00 0.00 C ATOM 633 O LEU A 44 5.435 4.635 2.834 1.00 0.00 O ATOM 634 CB LEU A 44 3.326 3.618 0.572 1.00 0.00 C ATOM 635 CG LEU A 44 4.676 3.828 -0.115 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.280 5.163 0.292 1.00 0.00 C ATOM 637 CD2 LEU A 44 5.626 2.687 0.217 1.00 0.00 C ATOM 0 H LEU A 44 3.118 5.881 1.880 1.00 0.00 H new ATOM 0 HA LEU A 44 2.676 3.036 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.978 2.610 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.606 4.310 0.134 1.00 0.00 H new ATOM 0 HG LEU A 44 4.516 3.839 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.240 5.295 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.607 5.970 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.426 5.182 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.582 2.853 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.781 2.644 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.197 1.745 -0.126 1.00 0.00 H new ATOM 649 N GLN A 45 5.116 2.408 2.911 1.00 0.00 N ATOM 650 CA GLN A 45 6.442 2.127 3.447 1.00 0.00 C ATOM 651 C GLN A 45 6.943 0.766 2.973 1.00 0.00 C ATOM 652 O GLN A 45 6.381 -0.272 3.326 1.00 0.00 O ATOM 653 CB GLN A 45 6.419 2.171 4.975 1.00 0.00 C ATOM 654 CG GLN A 45 6.109 3.548 5.540 1.00 0.00 C ATOM 655 CD GLN A 45 6.624 3.728 6.954 1.00 0.00 C ATOM 656 OE1 GLN A 45 5.856 4.012 7.875 1.00 0.00 O ATOM 657 NE2 GLN A 45 7.929 3.563 7.135 1.00 0.00 N ATOM 0 H GLN A 45 4.537 1.582 2.762 1.00 0.00 H new ATOM 0 HA GLN A 45 7.124 2.894 3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.675 1.462 5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.386 1.841 5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.552 4.309 4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.031 3.708 5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.528 3.328 6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.332 3.671 8.066 1.00 0.00 H new ATOM 666 N THR A 46 8.003 0.777 2.171 1.00 0.00 N ATOM 667 CA THR A 46 8.578 -0.455 1.647 1.00 0.00 C ATOM 668 C THR A 46 9.668 -0.988 2.570 1.00 0.00 C ATOM 669 O THR A 46 10.557 -0.247 2.989 1.00 0.00 O ATOM 670 CB THR A 46 9.169 -0.246 0.240 1.00 0.00 C ATOM 671 OG1 THR A 46 8.230 0.449 -0.587 1.00 0.00 O ATOM 672 CG2 THR A 46 9.527 -1.579 -0.400 1.00 0.00 C ATOM 0 H THR A 46 8.481 1.626 1.870 1.00 0.00 H new ATOM 0 HA THR A 46 7.768 -1.182 1.588 1.00 0.00 H new ATOM 0 HB THR A 46 10.078 0.348 0.336 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.614 0.580 -1.479 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.942 -1.406 -1.393 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.264 -2.093 0.217 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.631 -2.195 -0.484 1.00 0.00 H new ATOM 680 N SER A 47 9.595 -2.278 2.881 1.00 0.00 N ATOM 681 CA SER A 47 10.575 -2.910 3.757 1.00 0.00 C ATOM 682 C SER A 47 10.737 -4.388 3.414 1.00 0.00 C ATOM 683 O SER A 47 9.774 -5.060 3.042 1.00 0.00 O ATOM 684 CB SER A 47 10.156 -2.757 5.220 1.00 0.00 C ATOM 685 OG SER A 47 8.754 -2.909 5.368 1.00 0.00 O ATOM 0 H SER A 47 8.868 -2.906 2.540 1.00 0.00 H new ATOM 0 HA SER A 47 11.534 -2.413 3.607 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.672 -3.500 5.829 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.460 -1.777 5.588 1.00 0.00 H new ATOM 0 HG SER A 47 8.512 -2.808 6.312 1.00 0.00 H new ATOM 691 N LEU A 48 11.961 -4.888 3.543 1.00 0.00 N ATOM 692 CA LEU A 48 12.251 -6.286 3.247 1.00 0.00 C ATOM 693 C LEU A 48 11.544 -7.210 4.234 1.00 0.00 C ATOM 694 O LEU A 48 11.243 -6.816 5.360 1.00 0.00 O ATOM 695 CB LEU A 48 13.760 -6.535 3.290 1.00 0.00 C ATOM 696 CG LEU A 48 14.509 -6.346 1.971 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.213 -7.495 1.019 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.140 -5.014 1.334 1.00 0.00 C ATOM 0 H LEU A 48 12.768 -4.346 3.851 1.00 0.00 H new ATOM 0 HA LEU A 48 11.881 -6.503 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.197 -5.867 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.930 -7.554 3.639 1.00 0.00 H new ATOM 0 HG LEU A 48 15.579 -6.342 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.755 -7.343 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.529 -8.434 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.143 -7.532 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.683 -4.897 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.068 -4.989 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.405 -4.201 2.011 1.00 0.00 H new ATOM 710 N GLU A 49 11.284 -8.440 3.803 1.00 0.00 N ATOM 711 CA GLU A 49 10.613 -9.420 4.650 1.00 0.00 C ATOM 712 C GLU A 49 11.387 -9.638 5.947 1.00 0.00 C ATOM 713 O GLU A 49 10.833 -10.106 6.941 1.00 0.00 O ATOM 714 CB GLU A 49 10.457 -10.748 3.907 1.00 0.00 C ATOM 715 CG GLU A 49 9.528 -11.729 4.602 1.00 0.00 C ATOM 716 CD GLU A 49 10.175 -12.397 5.799 1.00 0.00 C ATOM 717 OE1 GLU A 49 11.370 -12.748 5.708 1.00 0.00 O ATOM 718 OE2 GLU A 49 9.487 -12.570 6.827 1.00 0.00 O ATOM 0 H GLU A 49 11.527 -8.782 2.873 1.00 0.00 H new ATOM 0 HA GLU A 49 9.625 -9.033 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.079 -10.551 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.438 -11.208 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.629 -11.205 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.214 -12.493 3.890 1.00 0.00 H new ATOM 725 N ASN A 50 12.671 -9.294 5.928 1.00 0.00 N ATOM 726 CA ASN A 50 13.522 -9.453 7.102 1.00 0.00 C ATOM 727 C ASN A 50 13.355 -8.276 8.058 1.00 0.00 C ATOM 728 O ASN A 50 13.211 -8.459 9.266 1.00 0.00 O ATOM 729 CB ASN A 50 14.987 -9.580 6.682 1.00 0.00 C ATOM 730 CG ASN A 50 15.376 -8.563 5.627 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.187 -7.360 5.809 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.923 -9.042 4.516 1.00 0.00 N ATOM 0 H ASN A 50 13.145 -8.904 5.113 1.00 0.00 H new ATOM 0 HA ASN A 50 13.219 -10.364 7.619 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.625 -9.454 7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.166 -10.584 6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.205 -8.405 3.771 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.061 -10.047 4.408 1.00 0.00 H new ATOM 739 N GLY A 51 13.376 -7.066 7.507 1.00 0.00 N ATOM 740 CA GLY A 51 13.226 -5.876 8.325 1.00 0.00 C ATOM 741 C GLY A 51 14.171 -4.765 7.911 1.00 0.00 C ATOM 742 O GLY A 51 14.751 -4.085 8.757 1.00 0.00 O ATOM 0 H GLY A 51 13.494 -6.889 6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.198 -5.519 8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.406 -6.132 9.369 1.00 0.00 H new ATOM 746 N THR A 52 14.327 -4.580 6.603 1.00 0.00 N ATOM 747 CA THR A 52 15.210 -3.546 6.078 1.00 0.00 C ATOM 748 C THR A 52 14.440 -2.547 5.223 1.00 0.00 C ATOM 749 O THR A 52 14.240 -2.763 4.027 1.00 0.00 O ATOM 750 CB THR A 52 16.349 -4.154 5.238 1.00 0.00 C ATOM 751 OG1 THR A 52 17.060 -5.129 6.008 1.00 0.00 O ATOM 752 CG2 THR A 52 17.310 -3.073 4.767 1.00 0.00 C ATOM 0 H THR A 52 13.853 -5.133 5.889 1.00 0.00 H new ATOM 0 HA THR A 52 15.638 -3.030 6.937 1.00 0.00 H new ATOM 0 HB THR A 52 15.909 -4.634 4.363 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.544 -5.962 6.038 1.00 0.00 H new ATOM 0 HG21 THR A 52 18.106 -3.526 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.772 -2.349 4.156 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.742 -2.569 5.631 1.00 0.00 H new ATOM 760 N ARG A 53 14.009 -1.453 5.842 1.00 0.00 N ATOM 761 CA ARG A 53 13.259 -0.421 5.136 1.00 0.00 C ATOM 762 C ARG A 53 14.008 0.037 3.888 1.00 0.00 C ATOM 763 O ARG A 53 15.090 0.617 3.978 1.00 0.00 O ATOM 764 CB ARG A 53 13.003 0.773 6.058 1.00 0.00 C ATOM 765 CG ARG A 53 11.703 0.673 6.838 1.00 0.00 C ATOM 766 CD ARG A 53 11.116 2.047 7.122 1.00 0.00 C ATOM 767 NE ARG A 53 11.624 2.611 8.369 1.00 0.00 N ATOM 768 CZ ARG A 53 11.303 2.146 9.571 1.00 0.00 C ATOM 769 NH1 ARG A 53 10.480 1.113 9.688 1.00 0.00 N ATOM 770 NH2 ARG A 53 11.807 2.714 10.660 1.00 0.00 N ATOM 0 H ARG A 53 14.166 -1.258 6.831 1.00 0.00 H new ATOM 0 HA ARG A 53 12.303 -0.846 4.829 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.832 0.863 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.990 1.685 5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.984 0.079 6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.881 0.151 7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.352 2.720 6.297 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.030 1.974 7.173 1.00 0.00 H new ATOM 0 HE ARG A 53 12.261 3.406 8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.092 0.673 8.854 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.235 0.758 10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.441 3.508 10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.560 2.356 11.583 1.00 0.00 H new ATOM 784 N VAL A 54 13.424 -0.228 2.724 1.00 0.00 N ATOM 785 CA VAL A 54 14.035 0.158 1.457 1.00 0.00 C ATOM 786 C VAL A 54 13.676 1.593 1.088 1.00 0.00 C ATOM 787 O VAL A 54 14.488 2.316 0.511 1.00 0.00 O ATOM 788 CB VAL A 54 13.598 -0.779 0.315 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.232 -0.351 -0.999 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.954 -2.221 0.644 1.00 0.00 C ATOM 0 H VAL A 54 12.529 -0.708 2.632 1.00 0.00 H new ATOM 0 HA VAL A 54 15.114 0.079 1.589 1.00 0.00 H new ATOM 0 HB VAL A 54 12.515 -0.712 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.912 -1.025 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.922 0.666 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.318 -0.387 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.638 -2.869 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.032 -2.308 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.447 -2.521 1.561 1.00 0.00 H new ATOM 800 N GLN A 55 12.456 1.997 1.425 1.00 0.00 N ATOM 801 CA GLN A 55 11.990 3.347 1.129 1.00 0.00 C ATOM 802 C GLN A 55 10.729 3.674 1.921 1.00 0.00 C ATOM 803 O GLN A 55 9.983 2.778 2.314 1.00 0.00 O ATOM 804 CB GLN A 55 11.719 3.498 -0.369 1.00 0.00 C ATOM 805 CG GLN A 55 10.422 2.847 -0.821 1.00 0.00 C ATOM 806 CD GLN A 55 9.837 3.505 -2.055 1.00 0.00 C ATOM 807 OE1 GLN A 55 9.479 2.831 -3.022 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.737 4.829 -2.029 1.00 0.00 N ATOM 0 H GLN A 55 11.772 1.410 1.903 1.00 0.00 H new ATOM 0 HA GLN A 55 12.772 4.047 1.422 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.690 4.558 -0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.548 3.061 -0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.602 1.792 -1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.695 2.893 -0.010 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.046 5.348 -1.207 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.351 5.327 -2.831 1.00 0.00 H new ATOM 817 N GLU A 56 10.499 4.962 2.153 1.00 0.00 N ATOM 818 CA GLU A 56 9.328 5.406 2.900 1.00 0.00 C ATOM 819 C GLU A 56 8.782 6.713 2.331 1.00 0.00 C ATOM 820 O GLU A 56 9.523 7.506 1.752 1.00 0.00 O ATOM 821 CB GLU A 56 9.678 5.589 4.378 1.00 0.00 C ATOM 822 CG GLU A 56 10.496 6.837 4.661 1.00 0.00 C ATOM 823 CD GLU A 56 11.990 6.581 4.605 1.00 0.00 C ATOM 824 OE1 GLU A 56 12.503 5.872 5.497 1.00 0.00 O ATOM 825 OE2 GLU A 56 12.645 7.089 3.672 1.00 0.00 O ATOM 0 H GLU A 56 11.108 5.716 1.835 1.00 0.00 H new ATOM 0 HA GLU A 56 8.558 4.640 2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.756 5.630 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.233 4.716 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.236 7.609 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.234 7.223 5.646 1.00 0.00 H new ATOM 832 N GLU A 57 7.481 6.927 2.499 1.00 0.00 N ATOM 833 CA GLU A 57 6.835 8.136 2.000 1.00 0.00 C ATOM 834 C GLU A 57 5.619 8.493 2.850 1.00 0.00 C ATOM 835 O GLU A 57 4.584 7.826 2.809 1.00 0.00 O ATOM 836 CB GLU A 57 6.416 7.951 0.541 1.00 0.00 C ATOM 837 CG GLU A 57 6.433 9.239 -0.265 1.00 0.00 C ATOM 838 CD GLU A 57 7.661 10.084 0.012 1.00 0.00 C ATOM 839 OE1 GLU A 57 8.786 9.559 -0.129 1.00 0.00 O ATOM 840 OE2 GLU A 57 7.499 11.269 0.369 1.00 0.00 O ATOM 0 H GLU A 57 6.854 6.280 2.976 1.00 0.00 H new ATOM 0 HA GLU A 57 7.553 8.954 2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.082 7.228 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.412 7.527 0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.394 8.999 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.539 9.818 -0.036 1.00 0.00 H new ATOM 847 N PRO A 58 5.745 9.570 3.639 1.00 0.00 N ATOM 848 CA PRO A 58 4.666 10.041 4.513 1.00 0.00 C ATOM 849 C PRO A 58 3.500 10.630 3.729 1.00 0.00 C ATOM 850 O PRO A 58 2.339 10.456 4.100 1.00 0.00 O ATOM 851 CB PRO A 58 5.343 11.122 5.360 1.00 0.00 C ATOM 852 CG PRO A 58 6.477 11.604 4.523 1.00 0.00 C ATOM 853 CD PRO A 58 6.949 10.411 3.739 1.00 0.00 C ATOM 0 HA PRO A 58 4.232 9.230 5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.652 11.932 5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.695 10.718 6.309 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.158 12.407 3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.278 12.005 5.144 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.321 10.698 2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.761 9.891 4.248 1.00 0.00 H new ATOM 861 N GLU A 59 3.816 11.329 2.643 1.00 0.00 N ATOM 862 CA GLU A 59 2.792 11.944 1.806 1.00 0.00 C ATOM 863 C GLU A 59 2.879 11.430 0.372 1.00 0.00 C ATOM 864 O GLU A 59 3.372 12.123 -0.519 1.00 0.00 O ATOM 865 CB GLU A 59 2.936 13.468 1.823 1.00 0.00 C ATOM 866 CG GLU A 59 1.883 14.188 0.998 1.00 0.00 C ATOM 867 CD GLU A 59 1.811 15.670 1.310 1.00 0.00 C ATOM 868 OE1 GLU A 59 1.971 16.037 2.492 1.00 0.00 O ATOM 869 OE2 GLU A 59 1.593 16.464 0.370 1.00 0.00 O ATOM 0 H GLU A 59 4.772 11.483 2.322 1.00 0.00 H new ATOM 0 HA GLU A 59 1.817 11.673 2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.880 13.818 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.924 13.735 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.102 14.054 -0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.909 13.734 1.182 1.00 0.00 H new ATOM 876 N LEU A 60 2.398 10.211 0.157 1.00 0.00 N ATOM 877 CA LEU A 60 2.421 9.602 -1.168 1.00 0.00 C ATOM 878 C LEU A 60 1.123 9.881 -1.919 1.00 0.00 C ATOM 879 O LEU A 60 0.035 9.563 -1.438 1.00 0.00 O ATOM 880 CB LEU A 60 2.644 8.093 -1.054 1.00 0.00 C ATOM 881 CG LEU A 60 2.256 7.263 -2.278 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.743 7.207 -2.428 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.897 7.834 -3.535 1.00 0.00 C ATOM 0 H LEU A 60 1.987 9.625 0.883 1.00 0.00 H new ATOM 0 HA LEU A 60 3.245 10.043 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.698 7.917 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.079 7.726 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 60 2.624 6.247 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.486 6.612 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.306 6.752 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.352 8.217 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.610 7.231 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.559 8.860 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.982 7.821 -3.428 1.00 0.00 H new ATOM 895 N VAL A 61 1.245 10.476 -3.101 1.00 0.00 N ATOM 896 CA VAL A 61 0.081 10.795 -3.920 1.00 0.00 C ATOM 897 C VAL A 61 0.190 10.157 -5.301 1.00 0.00 C ATOM 898 O VAL A 61 1.287 9.981 -5.831 1.00 0.00 O ATOM 899 CB VAL A 61 -0.091 12.317 -4.082 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.188 12.946 -4.612 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.266 12.625 -4.998 1.00 0.00 C ATOM 0 H VAL A 61 2.138 10.747 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.790 10.391 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.300 12.748 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.047 14.021 -4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.004 12.755 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.432 12.513 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.373 13.705 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.089 12.182 -5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.179 12.209 -4.571 1.00 0.00 H new ATOM 911 N PHE A 62 -0.956 9.813 -5.879 1.00 0.00 N ATOM 912 CA PHE A 62 -0.991 9.194 -7.199 1.00 0.00 C ATOM 913 C PHE A 62 -2.407 9.203 -7.767 1.00 0.00 C ATOM 914 O PHE A 62 -3.370 9.508 -7.062 1.00 0.00 O ATOM 915 CB PHE A 62 -0.467 7.758 -7.126 1.00 0.00 C ATOM 916 CG PHE A 62 -1.371 6.828 -6.370 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.591 6.441 -6.902 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.003 6.340 -5.127 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.425 5.586 -6.208 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.833 5.483 -4.428 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.045 5.105 -4.970 1.00 0.00 C ATOM 0 H PHE A 62 -1.873 9.952 -5.454 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.349 9.774 -7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.332 7.377 -8.138 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.515 7.762 -6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.893 6.812 -7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.056 6.633 -4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.374 5.294 -6.633 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.534 5.110 -3.460 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.695 4.435 -4.427 1.00 0.00 H new ATOM 931 N THR A 63 -2.527 8.865 -9.047 1.00 0.00 N ATOM 932 CA THR A 63 -3.824 8.836 -9.711 1.00 0.00 C ATOM 933 C THR A 63 -4.352 7.410 -9.822 1.00 0.00 C ATOM 934 O THR A 63 -3.969 6.663 -10.724 1.00 0.00 O ATOM 935 CB THR A 63 -3.748 9.454 -11.120 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.418 10.844 -11.028 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.069 9.288 -11.856 1.00 0.00 C ATOM 0 H THR A 63 -1.741 8.607 -9.644 1.00 0.00 H new ATOM 0 HA THR A 63 -4.506 9.427 -9.100 1.00 0.00 H new ATOM 0 HB THR A 63 -2.971 8.933 -11.680 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.370 11.229 -11.928 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.991 9.732 -12.848 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.302 8.227 -11.950 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.862 9.785 -11.297 1.00 0.00 H new ATOM 945 N LEU A 64 -5.234 7.038 -8.900 1.00 0.00 N ATOM 946 CA LEU A 64 -5.816 5.700 -8.895 1.00 0.00 C ATOM 947 C LEU A 64 -6.339 5.328 -10.278 1.00 0.00 C ATOM 948 O LEU A 64 -7.070 6.096 -10.904 1.00 0.00 O ATOM 949 CB LEU A 64 -6.949 5.620 -7.870 1.00 0.00 C ATOM 950 CG LEU A 64 -7.562 4.236 -7.655 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.555 3.301 -7.004 1.00 0.00 C ATOM 952 CD2 LEU A 64 -8.823 4.337 -6.809 1.00 0.00 C ATOM 0 H LEU A 64 -5.561 7.643 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.034 4.992 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.573 5.981 -6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.741 6.302 -8.179 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.833 3.825 -8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.009 2.321 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.680 3.204 -7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.253 3.707 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.246 3.343 -6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.577 4.769 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.551 4.971 -7.315 1.00 0.00 H new ATOM 964 N GLY A 65 -5.962 4.144 -10.750 1.00 0.00 N ATOM 965 CA GLY A 65 -6.404 3.690 -12.056 1.00 0.00 C ATOM 966 C GLY A 65 -5.306 3.762 -13.097 1.00 0.00 C ATOM 967 O GLY A 65 -5.430 3.192 -14.181 1.00 0.00 O ATOM 0 H GLY A 65 -5.358 3.491 -10.251 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.760 2.663 -11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.249 4.297 -12.381 1.00 0.00 H new ATOM 971 N ASP A 66 -4.228 4.466 -12.770 1.00 0.00 N ATOM 972 CA ASP A 66 -3.103 4.612 -13.686 1.00 0.00 C ATOM 973 C ASP A 66 -1.894 3.823 -13.193 1.00 0.00 C ATOM 974 O ASP A 66 -0.781 3.997 -13.690 1.00 0.00 O ATOM 975 CB ASP A 66 -2.733 6.088 -13.844 1.00 0.00 C ATOM 976 CG ASP A 66 -3.515 6.765 -14.953 1.00 0.00 C ATOM 977 OD1 ASP A 66 -4.718 6.462 -15.101 1.00 0.00 O ATOM 978 OD2 ASP A 66 -2.924 7.598 -15.671 1.00 0.00 O ATOM 0 H ASP A 66 -4.109 4.945 -11.877 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.403 4.215 -14.656 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.917 6.608 -12.904 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.666 6.172 -14.052 1.00 0.00 H new ATOM 983 N CYS A 67 -2.121 2.956 -12.212 1.00 0.00 N ATOM 984 CA CYS A 67 -1.050 2.141 -11.649 1.00 0.00 C ATOM 985 C CYS A 67 0.212 2.971 -11.438 1.00 0.00 C ATOM 986 O CYS A 67 1.326 2.487 -11.634 1.00 0.00 O ATOM 987 CB CYS A 67 -0.747 0.956 -12.567 1.00 0.00 C ATOM 988 SG CYS A 67 -0.125 -0.506 -11.704 1.00 0.00 S ATOM 0 H CYS A 67 -3.036 2.799 -11.790 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.383 1.766 -10.681 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.655 0.687 -13.107 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.013 1.265 -13.311 1.00 0.00 H new ATOM 0 HG CYS A 67 0.100 -1.455 -12.564 1.00 0.00 H new ATOM 994 N ASP A 68 0.028 4.224 -11.037 1.00 0.00 N ATOM 995 CA ASP A 68 1.152 5.123 -10.799 1.00 0.00 C ATOM 996 C ASP A 68 1.968 4.666 -9.594 1.00 0.00 C ATOM 997 O ASP A 68 3.032 5.214 -9.308 1.00 0.00 O ATOM 998 CB ASP A 68 0.652 6.552 -10.580 1.00 0.00 C ATOM 999 CG ASP A 68 0.455 7.303 -11.882 1.00 0.00 C ATOM 1000 OD1 ASP A 68 1.467 7.708 -12.492 1.00 0.00 O ATOM 1001 OD2 ASP A 68 -0.710 7.485 -12.291 1.00 0.00 O ATOM 0 H ASP A 68 -0.888 4.640 -10.870 1.00 0.00 H new ATOM 0 HA ASP A 68 1.795 5.102 -11.679 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.291 6.524 -10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.365 7.092 -9.957 1.00 0.00 H new ATOM 1006 N VAL A 69 1.461 3.659 -8.890 1.00 0.00 N ATOM 1007 CA VAL A 69 2.142 3.127 -7.716 1.00 0.00 C ATOM 1008 C VAL A 69 2.183 1.604 -7.747 1.00 0.00 C ATOM 1009 O VAL A 69 1.602 0.975 -8.632 1.00 0.00 O ATOM 1010 CB VAL A 69 1.458 3.586 -6.415 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.710 5.066 -6.171 1.00 0.00 C ATOM 1012 CG2 VAL A 69 -0.034 3.292 -6.465 1.00 0.00 C ATOM 0 H VAL A 69 0.580 3.195 -9.113 1.00 0.00 H new ATOM 0 HA VAL A 69 3.161 3.514 -7.738 1.00 0.00 H new ATOM 0 HB VAL A 69 1.888 3.028 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.219 5.371 -5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.782 5.244 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.310 5.645 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.501 3.623 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.481 3.822 -7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.190 2.220 -6.587 1.00 0.00 H new ATOM 1022 N ILE A 70 2.871 1.016 -6.774 1.00 0.00 N ATOM 1023 CA ILE A 70 2.986 -0.435 -6.689 1.00 0.00 C ATOM 1024 C ILE A 70 1.645 -1.109 -6.957 1.00 0.00 C ATOM 1025 O ILE A 70 0.590 -0.567 -6.626 1.00 0.00 O ATOM 1026 CB ILE A 70 3.504 -0.878 -5.308 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.578 0.089 -4.807 1.00 0.00 C ATOM 1028 CG2 ILE A 70 4.051 -2.296 -5.378 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.604 0.451 -5.859 1.00 0.00 C ATOM 0 H ILE A 70 3.357 1.522 -6.034 1.00 0.00 H new ATOM 0 HA ILE A 70 3.702 -0.741 -7.452 1.00 0.00 H new ATOM 0 HB ILE A 70 2.673 -0.864 -4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.097 1.000 -4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.087 -0.357 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.413 -2.595 -4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.260 -2.976 -5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.872 -2.334 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.334 1.140 -5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.112 -0.452 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.106 0.927 -6.704 1.00 0.00 H new ATOM 1041 N GLN A 71 1.694 -2.294 -7.556 1.00 0.00 N ATOM 1042 CA GLN A 71 0.482 -3.043 -7.867 1.00 0.00 C ATOM 1043 C GLN A 71 -0.175 -3.568 -6.595 1.00 0.00 C ATOM 1044 O GLN A 71 -1.326 -4.002 -6.613 1.00 0.00 O ATOM 1045 CB GLN A 71 0.803 -4.206 -8.807 1.00 0.00 C ATOM 1046 CG GLN A 71 0.706 -3.842 -10.280 1.00 0.00 C ATOM 1047 CD GLN A 71 0.815 -5.051 -11.188 1.00 0.00 C ATOM 1048 OE1 GLN A 71 1.852 -5.713 -11.238 1.00 0.00 O ATOM 1049 NE2 GLN A 71 -0.258 -5.347 -11.913 1.00 0.00 N ATOM 0 H GLN A 71 2.559 -2.756 -7.836 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.216 -2.367 -8.362 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.810 -4.566 -8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.120 -5.030 -8.599 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.243 -3.338 -10.464 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.496 -3.134 -10.528 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.097 -4.771 -11.841 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.243 -6.150 -12.542 1.00 0.00 H new ATOM 1058 N ALA A 72 0.565 -3.527 -5.492 1.00 0.00 N ATOM 1059 CA ALA A 72 0.054 -3.997 -4.211 1.00 0.00 C ATOM 1060 C ALA A 72 -0.554 -2.852 -3.408 1.00 0.00 C ATOM 1061 O ALA A 72 -1.250 -3.076 -2.417 1.00 0.00 O ATOM 1062 CB ALA A 72 1.162 -4.671 -3.415 1.00 0.00 C ATOM 0 H ALA A 72 1.521 -3.173 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.732 -4.726 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.765 -5.017 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.548 -5.521 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.967 -3.958 -3.236 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.288 -1.625 -3.842 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.809 -0.443 -3.163 1.00 0.00 C ATOM 1070 C LEU A 73 -2.025 0.113 -3.896 1.00 0.00 C ATOM 1071 O LEU A 73 -3.002 0.528 -3.272 1.00 0.00 O ATOM 1072 CB LEU A 73 0.276 0.631 -3.062 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.214 2.079 -3.031 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -0.996 2.350 -1.755 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.958 3.041 -3.156 1.00 0.00 C ATOM 0 H LEU A 73 0.285 -1.422 -4.661 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.116 -0.736 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.859 0.446 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.953 0.516 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.879 2.236 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.337 3.385 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.858 1.684 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.355 2.175 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.591 4.067 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.648 2.883 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.476 2.863 -4.098 1.00 0.00 H new ATOM 1087 N ASP A 74 -1.959 0.118 -5.223 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.056 0.621 -6.042 1.00 0.00 C ATOM 1089 C ASP A 74 -4.218 -0.367 -6.058 1.00 0.00 C ATOM 1090 O ASP A 74 -5.384 0.030 -6.080 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.575 0.886 -7.469 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.418 1.928 -8.179 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -4.558 1.602 -8.570 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -2.936 3.069 -8.345 1.00 0.00 O ATOM 0 H ASP A 74 -1.157 -0.221 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.404 1.557 -5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.537 1.218 -7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.599 -0.045 -8.036 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.893 -1.655 -6.050 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.910 -2.701 -6.065 1.00 0.00 C ATOM 1101 C LEU A 75 -5.491 -2.916 -4.671 1.00 0.00 C ATOM 1102 O LEU A 75 -6.385 -3.741 -4.480 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.316 -4.009 -6.590 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.914 -4.020 -8.065 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.264 -2.700 -8.450 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.977 -5.183 -8.354 1.00 0.00 C ATOM 0 H LEU A 75 -2.933 -2.000 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.714 -2.382 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.437 -4.251 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.042 -4.806 -6.426 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.814 -4.148 -8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.984 -2.726 -9.503 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.968 -1.885 -8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.373 -2.542 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.701 -5.175 -9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.079 -5.087 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.478 -6.122 -8.117 1.00 0.00 H new ATOM 1118 N SER A 76 -4.978 -2.167 -3.700 1.00 0.00 N ATOM 1119 CA SER A 76 -5.445 -2.277 -2.323 1.00 0.00 C ATOM 1120 C SER A 76 -6.092 -0.974 -1.863 1.00 0.00 C ATOM 1121 O SER A 76 -6.952 -0.971 -0.982 1.00 0.00 O ATOM 1122 CB SER A 76 -4.283 -2.638 -1.395 1.00 0.00 C ATOM 1123 OG SER A 76 -3.550 -1.483 -1.023 1.00 0.00 O ATOM 0 H SER A 76 -4.239 -1.478 -3.841 1.00 0.00 H new ATOM 0 HA SER A 76 -6.193 -3.069 -2.281 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.666 -3.132 -0.502 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.622 -3.347 -1.893 1.00 0.00 H new ATOM 0 HG SER A 76 -3.427 -0.907 -1.806 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.671 0.133 -2.466 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.209 1.444 -2.121 1.00 0.00 C ATOM 1131 C VAL A 77 -7.731 1.453 -2.204 1.00 0.00 C ATOM 1132 O VAL A 77 -8.429 1.759 -1.237 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.649 2.542 -3.044 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.672 3.651 -3.238 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.348 3.097 -2.484 1.00 0.00 C ATOM 0 H VAL A 77 -4.959 0.148 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.903 1.651 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.439 2.100 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.258 4.417 -3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.575 3.238 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.917 4.093 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.967 3.872 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.529 3.523 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.615 2.295 -2.404 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.261 1.107 -3.387 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.707 1.067 -3.626 1.00 0.00 C ATOM 1147 C PRO A 78 -10.385 -0.076 -2.878 1.00 0.00 C ATOM 1148 O PRO A 78 -11.597 -0.270 -2.987 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.811 0.853 -5.138 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.535 0.182 -5.514 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.489 0.730 -4.583 1.00 0.00 C ATOM 0 HA PRO A 78 -10.204 1.971 -3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.673 0.236 -5.392 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.931 1.800 -5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.619 -0.900 -5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.278 0.386 -6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.727 -0.015 -4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.975 1.588 -5.016 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.598 -0.829 -2.118 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.124 -1.953 -1.351 1.00 0.00 C ATOM 1161 C LEU A 79 -10.242 -1.596 0.127 1.00 0.00 C ATOM 1162 O LEU A 79 -10.585 -2.440 0.955 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.222 -3.178 -1.520 1.00 0.00 C ATOM 1164 CG LEU A 79 -8.911 -3.588 -2.960 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.162 -4.911 -2.988 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.192 -3.681 -3.776 1.00 0.00 C ATOM 0 H LEU A 79 -8.594 -0.682 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.119 -2.186 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.280 -2.984 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.692 -4.023 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.274 -2.824 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.949 -5.187 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.226 -4.811 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.773 -5.685 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.952 -3.974 -4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.853 -4.425 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.690 -2.711 -3.784 1.00 0.00 H new ATOM 1178 N MET A 80 -9.959 -0.338 0.451 1.00 0.00 N ATOM 1179 CA MET A 80 -10.038 0.132 1.829 1.00 0.00 C ATOM 1180 C MET A 80 -10.780 1.462 1.909 1.00 0.00 C ATOM 1181 O MET A 80 -10.705 2.281 0.993 1.00 0.00 O ATOM 1182 CB MET A 80 -8.634 0.281 2.421 1.00 0.00 C ATOM 1183 CG MET A 80 -7.625 0.871 1.449 1.00 0.00 C ATOM 1184 SD MET A 80 -5.920 0.535 1.929 1.00 0.00 S ATOM 1185 CE MET A 80 -5.834 1.395 3.498 1.00 0.00 C ATOM 0 H MET A 80 -9.673 0.373 -0.222 1.00 0.00 H new ATOM 0 HA MET A 80 -10.592 -0.608 2.407 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.687 0.915 3.306 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.281 -0.697 2.749 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.805 0.465 0.454 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.775 1.949 1.385 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.963 2.050 3.506 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.737 1.990 3.637 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.750 0.669 4.307 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.496 1.670 3.008 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.252 2.901 3.207 1.00 0.00 C ATOM 1197 C ASP A 81 -11.326 4.051 3.592 1.00 0.00 C ATOM 1198 O ASP A 81 -10.207 3.832 4.057 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.316 2.703 4.288 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.287 1.589 3.947 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -14.446 1.287 2.746 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.886 1.019 4.882 1.00 0.00 O ATOM 0 H ASP A 81 -11.569 1.002 3.775 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.743 3.152 2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.829 2.479 5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.868 3.633 4.425 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.799 5.277 3.394 1.00 0.00 N ATOM 1208 CA VAL A 82 -11.014 6.461 3.720 1.00 0.00 C ATOM 1209 C VAL A 82 -10.879 6.632 5.229 1.00 0.00 C ATOM 1210 O VAL A 82 -11.846 6.956 5.917 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.645 7.734 3.125 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -13.160 7.689 3.252 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -11.081 8.974 3.802 1.00 0.00 C ATOM 0 H VAL A 82 -12.722 5.476 3.009 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.026 6.316 3.283 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.395 7.781 2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.588 8.597 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.544 6.821 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.435 7.617 4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.538 9.864 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.299 8.937 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.002 9.011 3.653 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.670 6.412 5.738 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.430 6.547 7.162 1.00 0.00 C ATOM 1225 C GLY A 83 -9.131 5.219 7.828 1.00 0.00 C ATOM 1226 O GLY A 83 -8.926 5.157 9.040 1.00 0.00 O ATOM 0 H GLY A 83 -8.853 6.143 5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.594 7.227 7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.303 6.998 7.633 1.00 0.00 H new ATOM 1230 N GLU A 84 -9.107 4.153 7.035 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.833 2.819 7.556 1.00 0.00 C ATOM 1232 C GLU A 84 -7.443 2.347 7.140 1.00 0.00 C ATOM 1233 O GLU A 84 -7.103 2.345 5.957 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.889 1.827 7.063 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.386 0.397 6.973 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.420 -0.551 6.396 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.605 -0.436 6.772 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -10.043 -1.406 5.568 1.00 0.00 O ATOM 0 H GLU A 84 -9.274 4.187 6.029 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.871 2.868 8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.747 1.860 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.240 2.142 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.489 0.370 6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.099 0.054 7.967 1.00 0.00 H new ATOM 1245 N THR A 85 -6.641 1.947 8.123 1.00 0.00 N ATOM 1246 CA THR A 85 -5.288 1.474 7.861 1.00 0.00 C ATOM 1247 C THR A 85 -5.285 -0.002 7.480 1.00 0.00 C ATOM 1248 O THR A 85 -5.856 -0.835 8.184 1.00 0.00 O ATOM 1249 CB THR A 85 -4.375 1.679 9.084 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.578 2.985 9.634 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.912 1.505 8.703 1.00 0.00 C ATOM 0 H THR A 85 -6.906 1.942 9.108 1.00 0.00 H new ATOM 0 HA THR A 85 -4.904 2.062 7.027 1.00 0.00 H new ATOM 0 HB THR A 85 -4.631 0.927 9.831 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.995 3.106 10.412 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.287 1.655 9.583 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.755 0.499 8.313 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.645 2.236 7.940 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.638 -0.319 6.364 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.559 -1.696 5.891 1.00 0.00 C ATOM 1261 C ALA A 86 -3.171 -2.009 5.343 1.00 0.00 C ATOM 1262 O ALA A 86 -2.560 -1.183 4.665 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.618 -1.951 4.829 1.00 0.00 C ATOM 0 H ALA A 86 -4.161 0.359 5.770 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.744 -2.356 6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.547 -2.983 4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.607 -1.777 5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.459 -1.276 3.988 1.00 0.00 H new ATOM 1269 N MET A 87 -2.678 -3.207 5.642 1.00 0.00 N ATOM 1270 CA MET A 87 -1.361 -3.628 5.177 1.00 0.00 C ATOM 1271 C MET A 87 -1.478 -4.501 3.931 1.00 0.00 C ATOM 1272 O MET A 87 -2.544 -5.041 3.638 1.00 0.00 O ATOM 1273 CB MET A 87 -0.628 -4.392 6.282 1.00 0.00 C ATOM 1274 CG MET A 87 0.757 -4.868 5.875 1.00 0.00 C ATOM 1275 SD MET A 87 1.838 -5.153 7.290 1.00 0.00 S ATOM 1276 CE MET A 87 2.723 -3.597 7.358 1.00 0.00 C ATOM 0 H MET A 87 -3.170 -3.902 6.203 1.00 0.00 H new ATOM 0 HA MET A 87 -0.790 -2.735 4.921 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.540 -3.751 7.159 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.228 -5.253 6.576 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.666 -5.790 5.301 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.213 -4.127 5.218 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.610 -3.710 7.981 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.021 -3.304 6.351 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.077 -2.829 7.783 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.375 -4.633 3.202 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.353 -5.440 1.988 1.00 0.00 C ATOM 1288 C VAL A 88 0.994 -6.131 1.811 1.00 0.00 C ATOM 1289 O VAL A 88 2.046 -5.496 1.890 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.647 -4.586 0.740 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -1.962 -3.839 0.902 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.497 -3.617 0.477 1.00 0.00 C ATOM 0 H VAL A 88 0.515 -4.191 3.431 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.133 -6.193 2.096 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.737 -5.249 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.153 -3.241 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.773 -4.555 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.904 -3.185 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.273 -3.021 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.620 -2.958 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.418 -4.177 0.314 1.00 0.00 H new ATOM 1302 N THR A 89 0.956 -7.439 1.572 1.00 0.00 N ATOM 1303 CA THR A 89 2.173 -8.217 1.384 1.00 0.00 C ATOM 1304 C THR A 89 2.092 -9.069 0.123 1.00 0.00 C ATOM 1305 O THR A 89 1.463 -10.126 0.115 1.00 0.00 O ATOM 1306 CB THR A 89 2.445 -9.134 2.592 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.266 -9.879 2.917 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.887 -8.321 3.800 1.00 0.00 C ATOM 0 H THR A 89 0.095 -7.981 1.504 1.00 0.00 H new ATOM 0 HA THR A 89 2.992 -7.504 1.286 1.00 0.00 H new ATOM 0 HB THR A 89 3.247 -9.822 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.967 -10.378 2.129 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.073 -8.990 4.640 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.801 -7.778 3.559 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.104 -7.612 4.067 1.00 0.00 H new ATOM 1316 N ALA A 90 2.734 -8.602 -0.943 1.00 0.00 N ATOM 1317 CA ALA A 90 2.737 -9.323 -2.210 1.00 0.00 C ATOM 1318 C ALA A 90 4.157 -9.682 -2.634 1.00 0.00 C ATOM 1319 O ALA A 90 5.129 -9.178 -2.072 1.00 0.00 O ATOM 1320 CB ALA A 90 2.055 -8.495 -3.290 1.00 0.00 C ATOM 0 H ALA A 90 3.259 -7.727 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 90 2.181 -10.251 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.064 -9.045 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.024 -8.294 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.587 -7.552 -3.416 1.00 0.00 H new ATOM 1326 N ASP A 91 4.269 -10.556 -3.628 1.00 0.00 N ATOM 1327 CA ASP A 91 5.571 -10.983 -4.128 1.00 0.00 C ATOM 1328 C ASP A 91 6.210 -9.891 -4.981 1.00 0.00 C ATOM 1329 O ASP A 91 5.520 -9.168 -5.700 1.00 0.00 O ATOM 1330 CB ASP A 91 5.432 -12.269 -4.943 1.00 0.00 C ATOM 1331 CG ASP A 91 6.723 -12.658 -5.636 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.544 -13.360 -5.010 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.913 -12.260 -6.805 1.00 0.00 O ATOM 0 H ASP A 91 3.474 -10.983 -4.104 1.00 0.00 H new ATOM 0 HA ASP A 91 6.217 -11.174 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.117 -13.080 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.647 -12.140 -5.689 1.00 0.00 H new ATOM 1338 N SER A 92 7.531 -9.778 -4.896 1.00 0.00 N ATOM 1339 CA SER A 92 8.263 -8.771 -5.656 1.00 0.00 C ATOM 1340 C SER A 92 7.627 -8.557 -7.027 1.00 0.00 C ATOM 1341 O SER A 92 7.653 -7.453 -7.571 1.00 0.00 O ATOM 1342 CB SER A 92 9.726 -9.189 -5.820 1.00 0.00 C ATOM 1343 OG SER A 92 10.490 -8.150 -6.407 1.00 0.00 O ATOM 0 H SER A 92 8.117 -10.371 -4.308 1.00 0.00 H new ATOM 0 HA SER A 92 8.220 -7.832 -5.104 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.145 -9.448 -4.848 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.785 -10.083 -6.441 1.00 0.00 H new ATOM 0 HG SER A 92 11.421 -8.441 -6.500 1.00 0.00 H new ATOM 1349 N LYS A 93 7.055 -9.622 -7.579 1.00 0.00 N ATOM 1350 CA LYS A 93 6.411 -9.554 -8.885 1.00 0.00 C ATOM 1351 C LYS A 93 5.453 -8.368 -8.958 1.00 0.00 C ATOM 1352 O LYS A 93 5.497 -7.580 -9.903 1.00 0.00 O ATOM 1353 CB LYS A 93 5.654 -10.853 -9.172 1.00 0.00 C ATOM 1354 CG LYS A 93 4.527 -11.129 -8.191 1.00 0.00 C ATOM 1355 CD LYS A 93 4.187 -12.609 -8.136 1.00 0.00 C ATOM 1356 CE LYS A 93 3.806 -13.145 -9.507 1.00 0.00 C ATOM 1357 NZ LYS A 93 2.353 -12.976 -9.784 1.00 0.00 N ATOM 0 H LYS A 93 7.025 -10.543 -7.142 1.00 0.00 H new ATOM 0 HA LYS A 93 7.187 -9.419 -9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.244 -10.809 -10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.357 -11.686 -9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.815 -10.784 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.643 -10.562 -8.482 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.042 -13.166 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.363 -12.768 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.384 -12.628 -10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.067 -14.201 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.876 -13.898 -9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.942 -12.319 -9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.225 -12.593 -10.742 1.00 0.00 H new ATOM 1371 N TYR A 94 4.591 -8.248 -7.955 1.00 0.00 N ATOM 1372 CA TYR A 94 3.622 -7.159 -7.907 1.00 0.00 C ATOM 1373 C TYR A 94 4.268 -5.878 -7.388 1.00 0.00 C ATOM 1374 O TYR A 94 3.727 -4.785 -7.555 1.00 0.00 O ATOM 1375 CB TYR A 94 2.438 -7.542 -7.018 1.00 0.00 C ATOM 1376 CG TYR A 94 1.680 -8.755 -7.508 1.00 0.00 C ATOM 1377 CD1 TYR A 94 0.741 -8.647 -8.527 1.00 0.00 C ATOM 1378 CD2 TYR A 94 1.901 -10.009 -6.952 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.046 -9.752 -8.977 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.212 -11.120 -7.397 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.285 -10.986 -8.410 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.405 -12.091 -8.855 1.00 0.00 O ATOM 0 H TYR A 94 4.543 -8.891 -7.164 1.00 0.00 H new ATOM 0 HA TYR A 94 3.264 -6.979 -8.921 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.800 -7.734 -6.008 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.753 -6.697 -6.956 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.552 -7.682 -8.974 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.625 -10.117 -6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.681 -9.650 -9.769 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.398 -12.088 -6.955 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.117 -12.881 -8.351 1.00 0.00 H new ATOM 1392 N CYS A 95 5.430 -6.022 -6.760 1.00 0.00 N ATOM 1393 CA CYS A 95 6.152 -4.877 -6.216 1.00 0.00 C ATOM 1394 C CYS A 95 6.841 -4.091 -7.327 1.00 0.00 C ATOM 1395 O CYS A 95 6.411 -2.994 -7.683 1.00 0.00 O ATOM 1396 CB CYS A 95 7.184 -5.340 -5.187 1.00 0.00 C ATOM 1397 SG CYS A 95 6.495 -6.349 -3.853 1.00 0.00 S ATOM 0 H CYS A 95 5.892 -6.920 -6.615 1.00 0.00 H new ATOM 0 HA CYS A 95 5.430 -4.223 -5.727 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.959 -5.912 -5.697 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.667 -4.464 -4.753 1.00 0.00 H new ATOM 0 HG CYS A 95 7.420 -7.127 -3.375 1.00 0.00 H new ATOM 1403 N TYR A 96 7.912 -4.659 -7.869 1.00 0.00 N ATOM 1404 CA TYR A 96 8.664 -4.010 -8.936 1.00 0.00 C ATOM 1405 C TYR A 96 8.861 -4.957 -10.117 1.00 0.00 C ATOM 1406 O TYR A 96 8.952 -4.525 -11.265 1.00 0.00 O ATOM 1407 CB TYR A 96 10.021 -3.535 -8.417 1.00 0.00 C ATOM 1408 CG TYR A 96 9.927 -2.385 -7.440 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.817 -1.074 -7.888 1.00 0.00 C ATOM 1410 CD2 TYR A 96 9.949 -2.608 -6.069 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.731 -0.020 -7.000 1.00 0.00 C ATOM 1412 CE2 TYR A 96 9.862 -1.560 -5.173 1.00 0.00 C ATOM 1413 CZ TYR A 96 9.753 -0.268 -5.643 1.00 0.00 C ATOM 1414 OH TYR A 96 9.668 0.778 -4.754 1.00 0.00 O ATOM 0 H TYR A 96 8.279 -5.568 -7.587 1.00 0.00 H new ATOM 0 HA TYR A 96 8.091 -3.147 -9.276 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.529 -4.370 -7.934 1.00 0.00 H new ATOM 0 HB3 TYR A 96 10.638 -3.233 -9.263 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.798 -0.876 -8.950 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.036 -3.618 -5.697 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.647 0.993 -7.366 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.879 -1.751 -4.110 1.00 0.00 H new ATOM 0 HH TYR A 96 9.696 0.432 -3.838 1.00 0.00 H new ATOM 1424 N GLY A 97 8.927 -6.252 -9.824 1.00 0.00 N ATOM 1425 CA GLY A 97 9.113 -7.241 -10.869 1.00 0.00 C ATOM 1426 C GLY A 97 10.219 -8.226 -10.546 1.00 0.00 C ATOM 1427 O GLY A 97 11.082 -7.969 -9.707 1.00 0.00 O ATOM 0 H GLY A 97 8.855 -6.634 -8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.180 -7.784 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.344 -6.735 -11.807 1.00 0.00 H new ATOM 1431 N PRO A 98 10.201 -9.384 -11.222 1.00 0.00 N ATOM 1432 CA PRO A 98 11.202 -10.435 -11.018 1.00 0.00 C ATOM 1433 C PRO A 98 12.576 -10.036 -11.546 1.00 0.00 C ATOM 1434 O PRO A 98 13.524 -10.819 -11.489 1.00 0.00 O ATOM 1435 CB PRO A 98 10.645 -11.616 -11.817 1.00 0.00 C ATOM 1436 CG PRO A 98 9.785 -10.994 -12.863 1.00 0.00 C ATOM 1437 CD PRO A 98 9.201 -9.758 -12.237 1.00 0.00 C ATOM 0 HA PRO A 98 11.355 -10.652 -9.961 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.446 -12.206 -12.262 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.070 -12.289 -11.180 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.368 -10.744 -13.750 1.00 0.00 H new ATOM 0 HG3 PRO A 98 8.999 -11.679 -13.181 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.058 -8.965 -12.971 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.228 -9.956 -11.788 1.00 0.00 H new ATOM 1445 N GLN A 99 12.676 -8.814 -12.058 1.00 0.00 N ATOM 1446 CA GLN A 99 13.936 -8.312 -12.596 1.00 0.00 C ATOM 1447 C GLN A 99 14.628 -7.395 -11.594 1.00 0.00 C ATOM 1448 O GLN A 99 15.856 -7.344 -11.529 1.00 0.00 O ATOM 1449 CB GLN A 99 13.692 -7.563 -13.907 1.00 0.00 C ATOM 1450 CG GLN A 99 12.845 -6.312 -13.745 1.00 0.00 C ATOM 1451 CD GLN A 99 12.864 -5.430 -14.978 1.00 0.00 C ATOM 1452 OE1 GLN A 99 13.911 -4.917 -15.372 1.00 0.00 O ATOM 1453 NE2 GLN A 99 11.702 -5.249 -15.594 1.00 0.00 N ATOM 0 H GLN A 99 11.901 -8.153 -12.112 1.00 0.00 H new ATOM 0 HA GLN A 99 14.586 -9.165 -12.789 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.653 -7.287 -14.342 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.203 -8.234 -14.613 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.817 -6.600 -13.525 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.206 -5.742 -12.889 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.858 -5.694 -15.232 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.653 -4.665 -16.429 1.00 0.00 H new ATOM 1462 N GLY A 100 13.832 -6.671 -10.813 1.00 0.00 N ATOM 1463 CA GLY A 100 14.387 -5.764 -9.824 1.00 0.00 C ATOM 1464 C GLY A 100 13.901 -4.340 -10.006 1.00 0.00 C ATOM 1465 O GLY A 100 13.144 -4.049 -10.932 1.00 0.00 O ATOM 0 H GLY A 100 12.813 -6.696 -10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.119 -6.111 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.475 -5.784 -9.887 1.00 0.00 H new ATOM 1529 N TYR A 105 17.269 0.442 -5.128 1.00 0.00 N ATOM 1530 CA TYR A 105 17.331 -0.861 -5.780 1.00 0.00 C ATOM 1531 C TYR A 105 16.759 -1.950 -4.877 1.00 0.00 C ATOM 1532 O TYR A 105 16.886 -1.887 -3.654 1.00 0.00 O ATOM 1533 CB TYR A 105 18.775 -1.199 -6.154 1.00 0.00 C ATOM 1534 CG TYR A 105 18.951 -2.607 -6.675 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.869 -3.700 -5.820 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.201 -2.846 -8.020 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.031 -4.989 -6.291 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.362 -4.131 -8.500 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.276 -5.199 -7.632 1.00 0.00 C ATOM 1540 OH TYR A 105 19.438 -6.481 -8.106 1.00 0.00 O ATOM 0 HA TYR A 105 16.729 -0.814 -6.688 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.120 -0.495 -6.911 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.410 -1.062 -5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.675 -3.539 -4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.271 -2.012 -8.703 1.00 0.00 H new ATOM 0 HE1 TYR A 105 18.966 -5.827 -5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 105 19.554 -4.298 -9.549 1.00 0.00 H new ATOM 0 HH TYR A 105 19.602 -6.454 -9.072 1.00 0.00 H new ATOM 1550 N ILE A 106 16.130 -2.947 -5.490 1.00 0.00 N ATOM 1551 CA ILE A 106 15.541 -4.051 -4.743 1.00 0.00 C ATOM 1552 C ILE A 106 15.754 -5.378 -5.463 1.00 0.00 C ATOM 1553 O ILE A 106 15.674 -5.468 -6.688 1.00 0.00 O ATOM 1554 CB ILE A 106 14.032 -3.838 -4.520 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.243 -4.295 -5.748 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.743 -2.376 -4.212 1.00 0.00 C ATOM 1557 CD1 ILE A 106 12.965 -5.782 -5.769 1.00 0.00 C ATOM 0 H ILE A 106 16.015 -3.013 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 106 16.043 -4.080 -3.776 1.00 0.00 H new ATOM 0 HB ILE A 106 13.718 -4.438 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.296 -3.756 -5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.797 -4.024 -6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.672 -2.242 -4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.280 -2.081 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.069 -1.757 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.402 -6.034 -6.668 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.908 -6.329 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.384 -6.056 -4.888 1.00 0.00 H new ATOM 1569 N PRO A 107 16.031 -6.436 -4.686 1.00 0.00 N ATOM 1570 CA PRO A 107 16.259 -7.779 -5.228 1.00 0.00 C ATOM 1571 C PRO A 107 14.985 -8.401 -5.790 1.00 0.00 C ATOM 1572 O PRO A 107 13.883 -8.179 -5.288 1.00 0.00 O ATOM 1573 CB PRO A 107 16.751 -8.572 -4.015 1.00 0.00 C ATOM 1574 CG PRO A 107 16.183 -7.856 -2.838 1.00 0.00 C ATOM 1575 CD PRO A 107 16.141 -6.402 -3.218 1.00 0.00 C ATOM 0 HA PRO A 107 16.962 -7.769 -6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.408 -9.606 -4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.840 -8.598 -3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.186 -8.226 -2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.800 -8.010 -1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.292 -5.892 -2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.039 -5.876 -2.894 1.00 0.00 H new ATOM 1583 N PRO A 108 15.137 -9.200 -6.856 1.00 0.00 N ATOM 1584 CA PRO A 108 14.009 -9.872 -7.509 1.00 0.00 C ATOM 1585 C PRO A 108 13.413 -10.977 -6.643 1.00 0.00 C ATOM 1586 O PRO A 108 14.076 -11.507 -5.751 1.00 0.00 O ATOM 1587 CB PRO A 108 14.633 -10.463 -8.775 1.00 0.00 C ATOM 1588 CG PRO A 108 16.075 -10.635 -8.442 1.00 0.00 C ATOM 1589 CD PRO A 108 16.421 -9.510 -7.507 1.00 0.00 C ATOM 0 HA PRO A 108 13.184 -9.187 -7.704 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.171 -11.415 -9.037 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.500 -9.799 -9.629 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.254 -11.602 -7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 108 16.690 -10.598 -9.341 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.178 -9.809 -6.781 1.00 0.00 H new ATOM 0 HD3 PRO A 108 16.817 -8.648 -8.044 1.00 0.00 H new ATOM 1597 N HIS A 109 12.157 -11.320 -6.912 1.00 0.00 N ATOM 1598 CA HIS A 109 11.472 -12.363 -6.157 1.00 0.00 C ATOM 1599 C HIS A 109 11.647 -12.153 -4.656 1.00 0.00 C ATOM 1600 O HIS A 109 11.586 -13.102 -3.875 1.00 0.00 O ATOM 1601 CB HIS A 109 12.000 -13.742 -6.556 1.00 0.00 C ATOM 1602 CG HIS A 109 11.926 -14.009 -8.028 1.00 0.00 C ATOM 1603 ND1 HIS A 109 12.903 -14.235 -8.937 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 10.736 -14.063 -8.724 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.292 -14.422 -10.153 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 10.985 -14.314 -9.997 1.00 0.00 N flip ATOM 0 H HIS A 109 11.594 -10.891 -7.646 1.00 0.00 H new ATOM 0 HA HIS A 109 10.409 -12.307 -6.392 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.036 -13.833 -6.230 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.431 -14.507 -6.027 1.00 0.00 H new ATOM 0 HD2 HIS A 109 9.755 -13.922 -8.295 1.00 0.00 H new ATOM 0 HE1 HIS A 109 12.798 -14.624 -11.085 1.00 0.00 H new ATOM 0 HE2 HIS A 109 10.286 -14.408 -10.734 1.00 0.00 H new ATOM 1615 N ALA A 110 11.867 -10.904 -4.261 1.00 0.00 N ATOM 1616 CA ALA A 110 12.051 -10.569 -2.854 1.00 0.00 C ATOM 1617 C ALA A 110 10.840 -9.822 -2.305 1.00 0.00 C ATOM 1618 O ALA A 110 10.719 -8.609 -2.472 1.00 0.00 O ATOM 1619 CB ALA A 110 13.313 -9.740 -2.669 1.00 0.00 C ATOM 0 H ALA A 110 11.922 -10.107 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 110 12.156 -11.499 -2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.437 -9.497 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.176 -10.309 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.231 -8.819 -3.246 1.00 0.00 H new ATOM 1625 N ALA A 111 9.946 -10.555 -1.650 1.00 0.00 N ATOM 1626 CA ALA A 111 8.745 -9.961 -1.075 1.00 0.00 C ATOM 1627 C ALA A 111 9.075 -8.680 -0.317 1.00 0.00 C ATOM 1628 O ALA A 111 10.218 -8.463 0.087 1.00 0.00 O ATOM 1629 CB ALA A 111 8.051 -10.957 -0.157 1.00 0.00 C ATOM 0 H ALA A 111 10.030 -11.561 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 111 8.070 -9.705 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.156 -10.500 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.772 -11.843 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.728 -11.242 0.649 1.00 0.00 H new ATOM 1635 N LEU A 112 8.068 -7.835 -0.126 1.00 0.00 N ATOM 1636 CA LEU A 112 8.252 -6.574 0.584 1.00 0.00 C ATOM 1637 C LEU A 112 6.978 -6.174 1.321 1.00 0.00 C ATOM 1638 O LEU A 112 5.889 -6.177 0.746 1.00 0.00 O ATOM 1639 CB LEU A 112 8.657 -5.469 -0.394 1.00 0.00 C ATOM 1640 CG LEU A 112 9.883 -5.757 -1.261 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.774 -5.037 -2.596 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.157 -5.350 -0.535 1.00 0.00 C ATOM 0 H LEU A 112 7.116 -8.000 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 112 9.047 -6.711 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.812 -5.265 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.845 -4.559 0.175 1.00 0.00 H new ATOM 0 HG LEU A 112 9.925 -6.829 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.655 -5.254 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.882 -5.378 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.706 -3.963 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.019 -5.562 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.124 -4.284 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.241 -5.912 0.395 1.00 0.00 H new ATOM 1654 N CYS A 113 7.122 -5.828 2.596 1.00 0.00 N ATOM 1655 CA CYS A 113 5.983 -5.423 3.412 1.00 0.00 C ATOM 1656 C CYS A 113 5.634 -3.958 3.170 1.00 0.00 C ATOM 1657 O CYS A 113 6.487 -3.078 3.291 1.00 0.00 O ATOM 1658 CB CYS A 113 6.284 -5.651 4.894 1.00 0.00 C ATOM 1659 SG CYS A 113 4.849 -5.459 5.977 1.00 0.00 S ATOM 0 H CYS A 113 8.016 -5.820 3.087 1.00 0.00 H new ATOM 0 HA CYS A 113 5.127 -6.033 3.125 1.00 0.00 H new ATOM 0 HB2 CYS A 113 6.690 -6.655 5.021 1.00 0.00 H new ATOM 0 HB3 CYS A 113 7.059 -4.952 5.208 1.00 0.00 H new ATOM 0 HG CYS A 113 5.204 -5.673 7.209 1.00 0.00 H new ATOM 1665 N LEU A 114 4.376 -3.703 2.827 1.00 0.00 N ATOM 1666 CA LEU A 114 3.914 -2.344 2.567 1.00 0.00 C ATOM 1667 C LEU A 114 2.655 -2.034 3.371 1.00 0.00 C ATOM 1668 O LEU A 114 1.778 -2.884 3.520 1.00 0.00 O ATOM 1669 CB LEU A 114 3.640 -2.155 1.074 1.00 0.00 C ATOM 1670 CG LEU A 114 4.640 -2.809 0.120 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.127 -2.753 -1.311 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.999 -2.134 0.228 1.00 0.00 C ATOM 0 H LEU A 114 3.658 -4.420 2.722 1.00 0.00 H new ATOM 0 HA LEU A 114 4.699 -1.654 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.648 -2.549 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.612 -1.086 0.863 1.00 0.00 H new ATOM 0 HG LEU A 114 4.753 -3.856 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.852 -3.223 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.177 -3.282 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.985 -1.713 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.698 -2.612 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.903 -1.079 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.371 -2.226 1.248 1.00 0.00 H new ATOM 1684 N GLU A 115 2.574 -0.810 3.884 1.00 0.00 N ATOM 1685 CA GLU A 115 1.421 -0.388 4.670 1.00 0.00 C ATOM 1686 C GLU A 115 0.657 0.727 3.962 1.00 0.00 C ATOM 1687 O GLU A 115 1.242 1.727 3.545 1.00 0.00 O ATOM 1688 CB GLU A 115 1.867 0.085 6.056 1.00 0.00 C ATOM 1689 CG GLU A 115 0.714 0.472 6.967 1.00 0.00 C ATOM 1690 CD GLU A 115 -0.551 -0.311 6.672 1.00 0.00 C ATOM 1691 OE1 GLU A 115 -0.548 -1.543 6.872 1.00 0.00 O ATOM 1692 OE2 GLU A 115 -1.545 0.311 6.240 1.00 0.00 O ATOM 0 H GLU A 115 3.292 -0.095 3.769 1.00 0.00 H new ATOM 0 HA GLU A 115 0.757 -1.245 4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.445 -0.707 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.532 0.941 5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.005 0.308 8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.511 1.537 6.858 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.653 0.547 3.829 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.498 1.537 3.171 1.00 0.00 C ATOM 1701 C VAL A 116 -2.378 2.265 4.181 1.00 0.00 C ATOM 1702 O VAL A 116 -3.083 1.640 4.973 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.394 0.888 2.100 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.815 1.916 1.061 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.676 -0.282 1.444 1.00 0.00 C ATOM 0 H VAL A 116 -1.152 -0.275 4.168 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.831 2.253 2.690 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.293 0.508 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.448 1.439 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.370 2.718 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.929 2.329 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.323 -0.729 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.759 0.072 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -1.430 -1.028 2.200 1.00 0.00 H new ATOM 1715 N THR A 117 -2.334 3.594 4.146 1.00 0.00 N ATOM 1716 CA THR A 117 -3.126 4.409 5.058 1.00 0.00 C ATOM 1717 C THR A 117 -3.884 5.497 4.306 1.00 0.00 C ATOM 1718 O THR A 117 -3.339 6.566 4.025 1.00 0.00 O ATOM 1719 CB THR A 117 -2.244 5.065 6.137 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.490 4.063 6.829 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.093 5.845 7.129 1.00 0.00 C ATOM 0 H THR A 117 -1.758 4.128 3.495 1.00 0.00 H new ATOM 0 HA THR A 117 -3.839 3.740 5.540 1.00 0.00 H new ATOM 0 HB THR A 117 -1.561 5.758 5.645 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.931 4.488 7.512 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.448 6.299 7.881 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.642 6.626 6.603 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.798 5.170 7.615 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.142 5.220 3.982 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.975 6.177 3.263 1.00 0.00 C ATOM 1731 C LEU A 118 -6.328 7.368 4.149 1.00 0.00 C ATOM 1732 O LEU A 118 -7.132 7.250 5.074 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.254 5.499 2.768 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.851 6.054 1.474 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.401 7.454 1.698 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.809 6.060 0.365 1.00 0.00 C ATOM 0 H LEU A 118 -5.608 4.340 4.206 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.408 6.541 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.047 4.439 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.007 5.572 3.553 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.673 5.407 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.822 7.833 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.179 7.422 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.597 8.112 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.252 6.458 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.966 6.684 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.462 5.042 0.186 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.722 8.514 3.860 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.973 9.728 4.628 1.00 0.00 C ATOM 1750 C LYS A 119 -7.132 10.519 4.030 1.00 0.00 C ATOM 1751 O LYS A 119 -8.160 10.719 4.677 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.715 10.599 4.670 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.423 9.803 4.616 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.320 8.827 5.776 1.00 0.00 C ATOM 1755 CE LYS A 119 -3.057 9.547 7.089 1.00 0.00 C ATOM 1756 NZ LYS A 119 -1.665 10.070 7.166 1.00 0.00 N ATOM 0 H LYS A 119 -5.053 8.628 3.099 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.240 9.437 5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.738 11.296 3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.727 11.196 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.370 9.257 3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.573 10.485 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.244 8.253 5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.518 8.115 5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.761 10.372 7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.235 8.864 7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.460 10.371 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.998 9.323 6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.563 10.882 6.525 1.00 0.00 H new ATOM 1770 N THR A 120 -6.960 10.967 2.790 1.00 0.00 N ATOM 1771 CA THR A 120 -7.992 11.736 2.105 1.00 0.00 C ATOM 1772 C THR A 120 -7.925 11.525 0.597 1.00 0.00 C ATOM 1773 O THR A 120 -6.846 11.345 0.033 1.00 0.00 O ATOM 1774 CB THR A 120 -7.864 13.241 2.407 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.540 13.692 2.100 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.176 13.528 3.868 1.00 0.00 C ATOM 0 H THR A 120 -6.116 10.810 2.240 1.00 0.00 H new ATOM 0 HA THR A 120 -8.952 11.378 2.477 1.00 0.00 H new ATOM 0 HB THR A 120 -8.583 13.776 1.786 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.468 14.650 2.293 1.00 0.00 H new ATOM 0 HG21 THR A 120 -8.079 14.597 4.058 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.195 13.211 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.478 12.982 4.503 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.085 11.548 -0.051 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.157 11.362 -1.495 1.00 0.00 C ATOM 1786 C ALA A 121 -9.901 12.515 -2.161 1.00 0.00 C ATOM 1787 O ALA A 121 -11.090 12.724 -1.915 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.830 10.037 -1.823 1.00 0.00 C ATOM 0 H ALA A 121 -9.988 11.694 0.401 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.140 11.347 -1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.877 9.911 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.256 9.220 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.840 10.030 -1.413 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.195 13.261 -3.004 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.789 14.392 -3.706 1.00 0.00 C ATOM 1796 C VAL A 122 -9.375 14.409 -5.173 1.00 0.00 C ATOM 1797 O VAL A 122 -8.563 13.592 -5.608 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.388 15.729 -3.055 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.957 15.831 -1.648 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -7.874 15.881 -3.039 1.00 0.00 C ATOM 0 H VAL A 122 -8.210 13.102 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.870 14.273 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 122 -9.806 16.542 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.663 16.782 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.045 15.771 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.572 15.013 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.609 16.831 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.432 15.063 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.495 15.857 -4.061 1.00 0.00 H new ATOM 1810 N ASP A 123 -9.937 15.344 -5.930 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.624 15.468 -7.349 1.00 0.00 C ATOM 1812 C ASP A 123 -8.502 16.477 -7.572 1.00 0.00 C ATOM 1813 O ASP A 123 -7.775 16.403 -8.563 1.00 0.00 O ATOM 1814 CB ASP A 123 -10.869 15.890 -8.132 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.835 15.417 -9.572 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -11.232 14.261 -9.825 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -10.411 16.202 -10.445 1.00 0.00 O ATOM 0 H ASP A 123 -10.611 16.027 -5.585 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.290 14.495 -7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.756 15.489 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -10.957 16.976 -8.111 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.367 17.419 -6.644 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.335 18.444 -6.741 1.00 0.00 C ATOM 1824 C ARG A 124 -5.950 17.844 -6.513 1.00 0.00 C ATOM 1825 O ARG A 124 -5.758 16.967 -5.671 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.594 19.557 -5.723 1.00 0.00 C ATOM 1827 CG ARG A 124 -8.903 20.296 -5.950 1.00 0.00 C ATOM 1828 CD ARG A 124 -9.478 20.823 -4.645 1.00 0.00 C ATOM 1829 NE ARG A 124 -10.836 21.332 -4.811 1.00 0.00 N ATOM 1830 CZ ARG A 124 -11.114 22.565 -5.221 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -10.132 23.410 -5.504 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -12.376 22.955 -5.348 1.00 0.00 N ATOM 0 H ARG A 124 -8.959 17.493 -5.817 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.369 18.865 -7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.598 19.128 -4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -6.772 20.271 -5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.739 21.125 -6.638 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -9.623 19.627 -6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.478 20.026 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.838 21.617 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 124 -11.614 20.707 -4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.161 23.114 -5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.348 24.356 -5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.134 22.308 -5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -12.588 23.902 -5.663 1.00 0.00 H new