USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 815 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 23 HIS : no HD1:sc= 0.52 K(o=3.2,f=-7.1!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 2.19 K(o=3.2,f=-9.1!) USER MOD Set 1.3: A 113 CYS SG : rot 79:sc= 0.492 USER MOD Set 2.1: A 109 THR OG1 : rot 127:sc= 0.386 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.904 K(o=1.3,f=-0.82!) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= -0.0113 (180deg=-0.152) USER MOD Single : A 21 TYR OH : rot 180:sc= 0.362 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -177:sc= 0.945 (180deg=0.938) USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.17) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -110:sc= 0.247 USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= 1.25 (180deg=1.12) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 2.02 K(o=2,f=-1) USER MOD Single : A 77 ASN : amide:sc= 1.08 K(o=1.1,f=-1.4) USER MOD Single : A 78 ASN : amide:sc= 1.08 K(o=1.1,f=-5.7!) USER MOD Single : A 79 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.17) USER MOD Single : A 80 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.24) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0418 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.0451 K(o=-0.045,f=-1.2) USER MOD Single : A 102 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.43) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -89:sc= 1.23 USER MOD Single : A 115 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.087) USER MOD Single : A 118 ASN : amide:sc= 0.987 K(o=0.99,f=-1.9) USER MOD Single : A 122 TYR OH : rot 150:sc= 0.511 USER MOD ----------------------------------------------------------------- ATOM 116 N PRO A 8 5.388 -3.524 10.204 1.00 0.00 N ATOM 117 CA PRO A 8 4.900 -4.849 9.807 1.00 0.00 C ATOM 118 C PRO A 8 5.090 -5.897 10.910 1.00 0.00 C ATOM 119 O PRO A 8 5.990 -5.773 11.750 1.00 0.00 O ATOM 120 CB PRO A 8 5.683 -5.232 8.546 1.00 0.00 C ATOM 121 CG PRO A 8 6.076 -3.878 7.962 1.00 0.00 C ATOM 122 CD PRO A 8 6.334 -3.046 9.213 1.00 0.00 C ATOM 0 HA PRO A 8 3.826 -4.816 9.621 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.557 -5.839 8.782 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.073 -5.809 7.852 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.962 -3.949 7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.281 -3.454 7.348 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.360 -3.168 9.560 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.189 -1.984 9.014 1.00 0.00 H new ATOM 130 N LYS A 9 4.272 -6.954 10.896 1.00 0.00 N ATOM 131 CA LYS A 9 4.191 -7.943 11.973 1.00 0.00 C ATOM 132 C LYS A 9 4.091 -9.349 11.383 1.00 0.00 C ATOM 133 O LYS A 9 3.514 -9.506 10.302 1.00 0.00 O ATOM 134 CB LYS A 9 2.953 -7.662 12.847 1.00 0.00 C ATOM 135 CG LYS A 9 3.015 -6.278 13.511 1.00 0.00 C ATOM 136 CD LYS A 9 1.775 -5.958 14.352 1.00 0.00 C ATOM 137 CE LYS A 9 1.848 -4.531 14.923 1.00 0.00 C ATOM 138 NZ LYS A 9 1.827 -3.479 13.871 1.00 0.00 N ATOM 0 H LYS A 9 3.637 -7.149 10.122 1.00 0.00 H new ATOM 0 HA LYS A 9 5.090 -7.874 12.586 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.054 -7.729 12.234 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.872 -8.429 13.617 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.900 -6.225 14.145 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.130 -5.516 12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.879 -6.063 13.740 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.690 -6.676 15.168 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.010 -4.374 15.602 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.759 -4.428 15.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.674 -2.550 14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.735 -3.476 13.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.057 -3.675 13.200 1.00 0.00 H new ATOM 152 N PRO A 10 4.629 -10.383 12.056 1.00 0.00 N ATOM 153 CA PRO A 10 4.398 -11.774 11.687 1.00 0.00 C ATOM 154 C PRO A 10 2.900 -12.026 11.466 1.00 0.00 C ATOM 155 O PRO A 10 2.064 -11.617 12.274 1.00 0.00 O ATOM 156 CB PRO A 10 4.987 -12.613 12.826 1.00 0.00 C ATOM 157 CG PRO A 10 6.068 -11.705 13.408 1.00 0.00 C ATOM 158 CD PRO A 10 5.465 -10.313 13.246 1.00 0.00 C ATOM 0 HA PRO A 10 4.876 -12.042 10.745 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.232 -12.868 13.570 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.404 -13.551 12.460 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.272 -11.938 14.453 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.011 -11.802 12.870 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.878 -10.036 14.122 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.244 -9.559 13.134 1.00 0.00 H new ATOM 166 N GLY A 11 2.574 -12.673 10.350 1.00 0.00 N ATOM 167 CA GLY A 11 1.229 -12.895 9.855 1.00 0.00 C ATOM 168 C GLY A 11 0.926 -12.028 8.632 1.00 0.00 C ATOM 169 O GLY A 11 0.001 -12.347 7.889 1.00 0.00 O ATOM 0 H GLY A 11 3.283 -13.076 9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.106 -13.946 9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.510 -12.675 10.644 1.00 0.00 H new ATOM 173 N ASP A 12 1.652 -10.930 8.403 1.00 0.00 N ATOM 174 CA ASP A 12 1.332 -10.006 7.314 1.00 0.00 C ATOM 175 C ASP A 12 1.612 -10.634 5.950 1.00 0.00 C ATOM 176 O ASP A 12 2.568 -11.400 5.783 1.00 0.00 O ATOM 177 CB ASP A 12 2.089 -8.679 7.461 1.00 0.00 C ATOM 178 CG ASP A 12 1.467 -7.742 8.507 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.249 -7.864 8.791 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.178 -6.828 8.980 1.00 0.00 O ATOM 0 H ASP A 12 2.465 -10.660 8.957 1.00 0.00 H new ATOM 0 HA ASP A 12 0.265 -9.794 7.377 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.123 -8.886 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.112 -8.172 6.496 1.00 0.00 H new ATOM 185 N LEU A 13 0.780 -10.286 4.963 1.00 0.00 N ATOM 186 CA LEU A 13 0.970 -10.706 3.580 1.00 0.00 C ATOM 187 C LEU A 13 2.069 -9.860 2.944 1.00 0.00 C ATOM 188 O LEU A 13 2.077 -8.634 3.081 1.00 0.00 O ATOM 189 CB LEU A 13 -0.312 -10.529 2.746 1.00 0.00 C ATOM 190 CG LEU A 13 -1.508 -11.461 3.036 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.490 -11.389 1.867 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.051 -12.900 3.240 1.00 0.00 C ATOM 0 H LEU A 13 -0.045 -9.703 5.106 1.00 0.00 H new ATOM 0 HA LEU A 13 1.238 -11.763 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.653 -9.501 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.045 -10.648 1.696 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.993 -11.131 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.338 -12.045 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.843 -10.364 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.990 -11.707 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.916 -13.531 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.547 -13.253 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.362 -12.947 4.084 1.00 0.00 H new ATOM 204 N ILE A 14 2.930 -10.506 2.164 1.00 0.00 N ATOM 205 CA ILE A 14 3.994 -9.883 1.394 1.00 0.00 C ATOM 206 C ILE A 14 3.692 -10.160 -0.074 1.00 0.00 C ATOM 207 O ILE A 14 3.222 -11.244 -0.431 1.00 0.00 O ATOM 208 CB ILE A 14 5.367 -10.486 1.790 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.679 -10.384 3.301 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.519 -9.887 0.953 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.742 -8.957 3.860 1.00 0.00 C ATOM 0 H ILE A 14 2.902 -11.519 2.048 1.00 0.00 H new ATOM 0 HA ILE A 14 4.042 -8.811 1.585 1.00 0.00 H new ATOM 0 HB ILE A 14 5.288 -11.549 1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.919 -10.939 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.633 -10.875 3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.464 -10.335 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.347 -10.093 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.561 -8.809 1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.966 -8.993 4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.523 -8.398 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.782 -8.464 3.708 1.00 0.00 H new ATOM 223 N GLU A 15 4.034 -9.204 -0.926 1.00 0.00 N ATOM 224 CA GLU A 15 4.067 -9.378 -2.359 1.00 0.00 C ATOM 225 C GLU A 15 5.479 -9.017 -2.813 1.00 0.00 C ATOM 226 O GLU A 15 6.152 -8.176 -2.215 1.00 0.00 O ATOM 227 CB GLU A 15 2.963 -8.575 -3.050 1.00 0.00 C ATOM 228 CG GLU A 15 3.193 -7.057 -3.017 1.00 0.00 C ATOM 229 CD GLU A 15 2.091 -6.280 -3.756 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.050 -6.865 -4.132 1.00 0.00 O ATOM 231 OE2 GLU A 15 2.271 -5.063 -3.979 1.00 0.00 O ATOM 0 H GLU A 15 4.301 -8.266 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 15 3.856 -10.409 -2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.885 -8.900 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.009 -8.800 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.237 -6.722 -1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.159 -6.829 -3.468 1.00 0.00 H new ATOM 238 N ILE A 16 5.918 -9.660 -3.880 1.00 0.00 N ATOM 239 CA ILE A 16 7.278 -9.681 -4.371 1.00 0.00 C ATOM 240 C ILE A 16 7.195 -9.234 -5.827 1.00 0.00 C ATOM 241 O ILE A 16 6.460 -9.832 -6.618 1.00 0.00 O ATOM 242 CB ILE A 16 7.842 -11.121 -4.268 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.679 -11.834 -2.903 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.308 -11.147 -4.726 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.570 -11.312 -1.776 1.00 0.00 C ATOM 0 H ILE A 16 5.291 -10.216 -4.462 1.00 0.00 H new ATOM 0 HA ILE A 16 7.938 -9.031 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 16 7.213 -11.707 -4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.639 -11.747 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.883 -12.896 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.695 -12.163 -4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.372 -10.811 -5.761 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.899 -10.485 -4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.376 -11.880 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.617 -11.425 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.353 -10.258 -1.599 1.00 0.00 H new ATOM 257 N PHE A 17 7.936 -8.190 -6.181 1.00 0.00 N ATOM 258 CA PHE A 17 8.121 -7.836 -7.588 1.00 0.00 C ATOM 259 C PHE A 17 9.075 -8.862 -8.197 1.00 0.00 C ATOM 260 O PHE A 17 10.114 -9.160 -7.600 1.00 0.00 O ATOM 261 CB PHE A 17 8.704 -6.423 -7.736 1.00 0.00 C ATOM 262 CG PHE A 17 7.674 -5.322 -7.899 1.00 0.00 C ATOM 263 CD1 PHE A 17 7.041 -5.143 -9.145 1.00 0.00 C ATOM 264 CD2 PHE A 17 7.383 -4.444 -6.838 1.00 0.00 C ATOM 265 CE1 PHE A 17 6.129 -4.088 -9.331 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.492 -3.371 -7.035 1.00 0.00 C ATOM 267 CZ PHE A 17 5.860 -3.197 -8.279 1.00 0.00 C ATOM 0 H PHE A 17 8.416 -7.577 -5.522 1.00 0.00 H new ATOM 0 HA PHE A 17 7.159 -7.843 -8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.314 -6.203 -6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.370 -6.409 -8.599 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.257 -5.818 -9.960 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.843 -4.593 -5.872 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.635 -3.963 -10.283 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.294 -2.680 -6.229 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.169 -2.380 -8.425 1.00 0.00 H new ATOM 277 N ARG A 18 8.763 -9.387 -9.387 1.00 0.00 N ATOM 278 CA ARG A 18 9.597 -10.365 -10.078 1.00 0.00 C ATOM 279 C ARG A 18 9.782 -9.944 -11.542 1.00 0.00 C ATOM 280 O ARG A 18 9.046 -9.081 -12.022 1.00 0.00 O ATOM 281 CB ARG A 18 8.954 -11.752 -9.889 1.00 0.00 C ATOM 282 CG ARG A 18 9.155 -12.251 -8.447 1.00 0.00 C ATOM 283 CD ARG A 18 9.368 -13.763 -8.396 1.00 0.00 C ATOM 284 NE ARG A 18 10.012 -14.164 -7.136 1.00 0.00 N ATOM 285 CZ ARG A 18 9.844 -15.315 -6.482 1.00 0.00 C ATOM 286 NH1 ARG A 18 8.965 -16.219 -6.902 1.00 0.00 N ATOM 287 NH2 ARG A 18 10.574 -15.572 -5.406 1.00 0.00 N ATOM 0 H ARG A 18 7.916 -9.140 -9.899 1.00 0.00 H new ATOM 0 HA ARG A 18 10.604 -10.416 -9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.889 -11.699 -10.116 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.394 -12.461 -10.590 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.014 -11.747 -8.004 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.285 -11.986 -7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.409 -14.272 -8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.985 -14.075 -9.239 1.00 0.00 H new ATOM 0 HE ARG A 18 10.655 -13.491 -6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.406 -16.038 -7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.849 -17.094 -6.390 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.261 -14.891 -5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.449 -16.450 -4.903 1.00 0.00 H new ATOM 301 N PRO A 19 10.765 -10.513 -12.268 1.00 0.00 N ATOM 302 CA PRO A 19 11.150 -9.994 -13.582 1.00 0.00 C ATOM 303 C PRO A 19 10.072 -10.108 -14.673 1.00 0.00 C ATOM 304 O PRO A 19 10.136 -9.354 -15.646 1.00 0.00 O ATOM 305 CB PRO A 19 12.446 -10.723 -13.963 1.00 0.00 C ATOM 306 CG PRO A 19 12.460 -11.966 -13.075 1.00 0.00 C ATOM 307 CD PRO A 19 11.748 -11.492 -11.812 1.00 0.00 C ATOM 0 HA PRO A 19 11.293 -8.916 -13.510 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.455 -10.990 -15.020 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.321 -10.098 -13.784 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.940 -12.802 -13.542 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.476 -12.300 -12.865 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.266 -12.323 -11.297 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.451 -11.045 -11.108 1.00 0.00 H new ATOM 315 N PHE A 20 9.087 -11.004 -14.523 1.00 0.00 N ATOM 316 CA PHE A 20 8.065 -11.264 -15.547 1.00 0.00 C ATOM 317 C PHE A 20 6.642 -11.357 -14.967 1.00 0.00 C ATOM 318 O PHE A 20 5.698 -11.615 -15.715 1.00 0.00 O ATOM 319 CB PHE A 20 8.431 -12.554 -16.305 1.00 0.00 C ATOM 320 CG PHE A 20 9.772 -12.513 -17.017 1.00 0.00 C ATOM 321 CD1 PHE A 20 9.893 -11.853 -18.256 1.00 0.00 C ATOM 322 CD2 PHE A 20 10.903 -13.123 -16.440 1.00 0.00 C ATOM 323 CE1 PHE A 20 11.137 -11.805 -18.912 1.00 0.00 C ATOM 324 CE2 PHE A 20 12.146 -13.074 -17.097 1.00 0.00 C ATOM 325 CZ PHE A 20 12.264 -12.415 -18.333 1.00 0.00 C ATOM 0 H PHE A 20 8.976 -11.572 -13.683 1.00 0.00 H new ATOM 0 HA PHE A 20 8.055 -10.415 -16.231 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.435 -13.385 -15.600 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.652 -12.762 -17.038 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.029 -11.383 -18.703 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.816 -13.630 -15.490 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.226 -11.299 -19.862 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.011 -13.543 -16.651 1.00 0.00 H new ATOM 0 HZ PHE A 20 13.218 -12.377 -18.837 1.00 0.00 H new ATOM 335 N TYR A 21 6.475 -11.177 -13.652 1.00 0.00 N ATOM 336 CA TYR A 21 5.219 -11.355 -12.922 1.00 0.00 C ATOM 337 C TYR A 21 5.365 -10.730 -11.529 1.00 0.00 C ATOM 338 O TYR A 21 6.328 -10.007 -11.265 1.00 0.00 O ATOM 339 CB TYR A 21 4.797 -12.846 -12.866 1.00 0.00 C ATOM 340 CG TYR A 21 5.534 -13.803 -11.931 1.00 0.00 C ATOM 341 CD1 TYR A 21 6.939 -13.802 -11.818 1.00 0.00 C ATOM 342 CD2 TYR A 21 4.793 -14.768 -11.216 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.590 -14.761 -11.023 1.00 0.00 C ATOM 344 CE2 TYR A 21 5.436 -15.709 -10.390 1.00 0.00 C ATOM 345 CZ TYR A 21 6.845 -15.713 -10.292 1.00 0.00 C ATOM 346 OH TYR A 21 7.491 -16.608 -9.489 1.00 0.00 O ATOM 0 H TYR A 21 7.243 -10.892 -13.045 1.00 0.00 H new ATOM 0 HA TYR A 21 4.413 -10.844 -13.449 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.741 -12.876 -12.598 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.881 -13.247 -13.876 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.519 -13.059 -12.346 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.717 -14.785 -11.304 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.669 -14.770 -10.971 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.853 -16.427 -9.832 1.00 0.00 H new ATOM 0 HH TYR A 21 6.834 -17.192 -9.056 1.00 0.00 H new ATOM 356 N ARG A 22 4.438 -11.025 -10.618 1.00 0.00 N ATOM 357 CA ARG A 22 4.540 -10.679 -9.204 1.00 0.00 C ATOM 358 C ARG A 22 4.205 -11.936 -8.423 1.00 0.00 C ATOM 359 O ARG A 22 3.455 -12.782 -8.913 1.00 0.00 O ATOM 360 CB ARG A 22 3.642 -9.470 -8.864 1.00 0.00 C ATOM 361 CG ARG A 22 2.142 -9.657 -9.167 1.00 0.00 C ATOM 362 CD ARG A 22 1.330 -10.129 -7.952 1.00 0.00 C ATOM 363 NE ARG A 22 0.922 -9.007 -7.081 1.00 0.00 N ATOM 364 CZ ARG A 22 -0.112 -8.178 -7.301 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.878 -8.311 -8.383 1.00 0.00 N ATOM 366 NH2 ARG A 22 -0.383 -7.213 -6.433 1.00 0.00 N ATOM 0 H ARG A 22 3.578 -11.522 -10.849 1.00 0.00 H new ATOM 0 HA ARG A 22 5.545 -10.354 -8.934 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.756 -9.241 -7.805 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.002 -8.603 -9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.731 -8.713 -9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.029 -10.381 -9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.443 -10.661 -8.295 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.923 -10.838 -7.374 1.00 0.00 H new ATOM 0 HE ARG A 22 1.474 -8.848 -6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.683 -9.050 -9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.660 -7.674 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.193 -7.101 -5.599 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.168 -6.583 -6.599 1.00 0.00 H new ATOM 380 N HIS A 23 4.742 -12.065 -7.221 1.00 0.00 N ATOM 381 CA HIS A 23 4.627 -13.273 -6.415 1.00 0.00 C ATOM 382 C HIS A 23 4.192 -12.896 -5.001 1.00 0.00 C ATOM 383 O HIS A 23 4.171 -11.711 -4.665 1.00 0.00 O ATOM 384 CB HIS A 23 5.962 -14.034 -6.482 1.00 0.00 C ATOM 385 CG HIS A 23 5.979 -15.292 -5.661 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.044 -16.317 -5.774 1.00 0.00 N ATOM 387 CD2 HIS A 23 6.859 -15.590 -4.661 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.401 -17.229 -4.855 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.488 -16.823 -4.182 1.00 0.00 N ATOM 0 H HIS A 23 5.278 -11.324 -6.770 1.00 0.00 H new ATOM 0 HA HIS A 23 3.860 -13.947 -6.797 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.176 -14.285 -7.521 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.763 -13.377 -6.142 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.681 -14.980 -4.316 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.884 -18.161 -4.682 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.959 -17.342 -3.441 1.00 0.00 H new ATOM 397 N TRP A 24 3.813 -13.875 -4.182 1.00 0.00 N ATOM 398 CA TRP A 24 3.177 -13.660 -2.890 1.00 0.00 C ATOM 399 C TRP A 24 3.755 -14.613 -1.852 1.00 0.00 C ATOM 400 O TRP A 24 4.059 -15.767 -2.158 1.00 0.00 O ATOM 401 CB TRP A 24 1.669 -13.876 -3.027 1.00 0.00 C ATOM 402 CG TRP A 24 0.931 -12.750 -3.670 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.763 -12.541 -4.994 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.239 -11.658 -3.006 1.00 0.00 C ATOM 405 NE1 TRP A 24 0.024 -11.391 -5.189 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.345 -10.812 -3.993 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.041 -11.313 -1.657 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -1.107 -9.684 -3.651 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.729 -10.191 -1.302 1.00 0.00 C ATOM 410 CH2 TRP A 24 -1.310 -9.383 -2.294 1.00 0.00 C ATOM 0 H TRP A 24 3.944 -14.861 -4.406 1.00 0.00 H new ATOM 0 HA TRP A 24 3.366 -12.639 -2.560 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.497 -14.783 -3.607 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.249 -14.048 -2.036 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.147 -13.175 -5.779 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.219 -11.016 -6.106 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.487 -11.919 -0.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.531 -9.056 -4.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.875 -9.949 -0.260 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.912 -8.531 -2.013 1.00 0.00 H new ATOM 421 N ALA A 25 3.863 -14.124 -0.618 1.00 0.00 N ATOM 422 CA ALA A 25 4.404 -14.830 0.532 1.00 0.00 C ATOM 423 C ALA A 25 3.698 -14.320 1.795 1.00 0.00 C ATOM 424 O ALA A 25 2.948 -13.342 1.741 1.00 0.00 O ATOM 425 CB ALA A 25 5.917 -14.574 0.594 1.00 0.00 C ATOM 0 H ALA A 25 3.560 -13.178 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 25 4.237 -15.904 0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.340 -15.097 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.385 -14.939 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.101 -13.504 0.694 1.00 0.00 H new ATOM 431 N ILE A 26 3.947 -14.948 2.940 1.00 0.00 N ATOM 432 CA ILE A 26 3.407 -14.540 4.225 1.00 0.00 C ATOM 433 C ILE A 26 4.560 -14.496 5.222 1.00 0.00 C ATOM 434 O ILE A 26 5.390 -15.405 5.252 1.00 0.00 O ATOM 435 CB ILE A 26 2.248 -15.489 4.590 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.384 -14.877 5.703 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.682 -16.924 4.932 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.059 -15.629 5.812 1.00 0.00 C ATOM 0 H ILE A 26 4.544 -15.773 2.998 1.00 0.00 H new ATOM 0 HA ILE A 26 2.973 -13.540 4.218 1.00 0.00 H new ATOM 0 HB ILE A 26 1.648 -15.592 3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.916 -14.922 6.653 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.197 -13.824 5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.804 -17.521 5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.193 -17.363 4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.357 -16.906 5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.546 -15.187 6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.477 -15.561 4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.253 -16.676 6.045 1.00 0.00 H new ATOM 450 N TYR A 27 4.664 -13.403 5.973 1.00 0.00 N ATOM 451 CA TYR A 27 5.739 -13.135 6.914 1.00 0.00 C ATOM 452 C TYR A 27 5.502 -13.981 8.159 1.00 0.00 C ATOM 453 O TYR A 27 4.385 -13.980 8.677 1.00 0.00 O ATOM 454 CB TYR A 27 5.703 -11.627 7.213 1.00 0.00 C ATOM 455 CG TYR A 27 6.948 -11.016 7.827 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.195 -11.147 7.186 1.00 0.00 C ATOM 457 CD2 TYR A 27 6.833 -10.197 8.965 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.315 -10.447 7.666 1.00 0.00 C ATOM 459 CE2 TYR A 27 7.950 -9.502 9.462 1.00 0.00 C ATOM 460 CZ TYR A 27 9.196 -9.612 8.801 1.00 0.00 C ATOM 461 OH TYR A 27 10.283 -8.922 9.244 1.00 0.00 O ATOM 0 H TYR A 27 3.973 -12.653 5.939 1.00 0.00 H new ATOM 0 HA TYR A 27 6.723 -13.393 6.524 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.492 -11.102 6.281 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.865 -11.435 7.884 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.291 -11.788 6.322 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.879 -10.101 9.461 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.268 -10.547 7.167 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.857 -8.887 10.345 1.00 0.00 H new ATOM 0 HH TYR A 27 10.036 -8.394 10.032 1.00 0.00 H new ATOM 471 N VAL A 28 6.517 -14.698 8.650 1.00 0.00 N ATOM 472 CA VAL A 28 6.332 -15.630 9.771 1.00 0.00 C ATOM 473 C VAL A 28 7.437 -15.587 10.829 1.00 0.00 C ATOM 474 O VAL A 28 7.189 -16.012 11.957 1.00 0.00 O ATOM 475 CB VAL A 28 6.137 -17.081 9.270 1.00 0.00 C ATOM 476 CG1 VAL A 28 4.922 -17.246 8.346 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.378 -17.644 8.557 1.00 0.00 C ATOM 0 H VAL A 28 7.471 -14.653 8.293 1.00 0.00 H new ATOM 0 HA VAL A 28 5.425 -15.284 10.267 1.00 0.00 H new ATOM 0 HB VAL A 28 5.963 -17.652 10.182 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.843 -18.287 8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.017 -16.959 8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.043 -16.610 7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.178 -18.664 8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.613 -17.024 7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.224 -17.643 9.244 1.00 0.00 H new ATOM 487 N GLY A 29 8.632 -15.081 10.506 1.00 0.00 N ATOM 488 CA GLY A 29 9.794 -15.230 11.381 1.00 0.00 C ATOM 489 C GLY A 29 10.693 -14.008 11.348 1.00 0.00 C ATOM 490 O GLY A 29 11.907 -14.161 11.230 1.00 0.00 O ATOM 0 H GLY A 29 8.817 -14.566 9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.458 -15.405 12.403 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.365 -16.108 11.079 1.00 0.00 H new ATOM 494 N ASP A 30 10.087 -12.815 11.399 1.00 0.00 N ATOM 495 CA ASP A 30 10.753 -11.506 11.479 1.00 0.00 C ATOM 496 C ASP A 30 11.926 -11.373 10.489 1.00 0.00 C ATOM 497 O ASP A 30 13.001 -10.859 10.808 1.00 0.00 O ATOM 498 CB ASP A 30 11.134 -11.205 12.938 1.00 0.00 C ATOM 499 CG ASP A 30 11.652 -9.767 13.129 1.00 0.00 C ATOM 500 OD1 ASP A 30 11.005 -8.810 12.648 1.00 0.00 O ATOM 501 OD2 ASP A 30 12.677 -9.579 13.826 1.00 0.00 O ATOM 0 H ASP A 30 9.071 -12.731 11.385 1.00 0.00 H new ATOM 0 HA ASP A 30 10.049 -10.737 11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.265 -11.362 13.577 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.900 -11.909 13.263 1.00 0.00 H new ATOM 506 N GLY A 31 11.738 -11.934 9.290 1.00 0.00 N ATOM 507 CA GLY A 31 12.761 -12.075 8.265 1.00 0.00 C ATOM 508 C GLY A 31 12.485 -13.298 7.399 1.00 0.00 C ATOM 509 O GLY A 31 12.738 -13.256 6.200 1.00 0.00 O ATOM 0 H GLY A 31 10.836 -12.314 9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.787 -11.180 7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.742 -12.167 8.732 1.00 0.00 H new ATOM 513 N TYR A 32 11.931 -14.374 7.968 1.00 0.00 N ATOM 514 CA TYR A 32 11.516 -15.550 7.206 1.00 0.00 C ATOM 515 C TYR A 32 10.055 -15.432 6.782 1.00 0.00 C ATOM 516 O TYR A 32 9.236 -14.811 7.473 1.00 0.00 O ATOM 517 CB TYR A 32 11.757 -16.831 8.016 1.00 0.00 C ATOM 518 CG TYR A 32 13.219 -17.236 8.050 1.00 0.00 C ATOM 519 CD1 TYR A 32 14.088 -16.685 9.011 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.717 -18.137 7.088 1.00 0.00 C ATOM 521 CE1 TYR A 32 15.452 -17.026 9.007 1.00 0.00 C ATOM 522 CE2 TYR A 32 15.080 -18.482 7.079 1.00 0.00 C ATOM 523 CZ TYR A 32 15.956 -17.925 8.039 1.00 0.00 C ATOM 524 OH TYR A 32 17.282 -18.243 8.043 1.00 0.00 O ATOM 0 H TYR A 32 11.759 -14.451 8.970 1.00 0.00 H new ATOM 0 HA TYR A 32 12.122 -15.605 6.301 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.401 -16.684 9.036 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.169 -17.643 7.588 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.706 -15.999 9.753 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.049 -18.564 6.355 1.00 0.00 H new ATOM 0 HE1 TYR A 32 16.116 -16.600 9.745 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.458 -19.172 6.339 1.00 0.00 H new ATOM 0 HH TYR A 32 17.469 -18.873 7.316 1.00 0.00 H new ATOM 534 N VAL A 33 9.731 -16.088 5.670 1.00 0.00 N ATOM 535 CA VAL A 33 8.413 -16.138 5.058 1.00 0.00 C ATOM 536 C VAL A 33 8.065 -17.581 4.693 1.00 0.00 C ATOM 537 O VAL A 33 8.950 -18.424 4.535 1.00 0.00 O ATOM 538 CB VAL A 33 8.359 -15.269 3.779 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.301 -13.773 4.086 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.514 -15.536 2.801 1.00 0.00 C ATOM 0 H VAL A 33 10.421 -16.627 5.146 1.00 0.00 H new ATOM 0 HA VAL A 33 7.693 -15.749 5.778 1.00 0.00 H new ATOM 0 HB VAL A 33 7.431 -15.571 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.265 -13.211 3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.410 -13.557 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.187 -13.483 4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.409 -14.890 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.464 -15.328 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.490 -16.579 2.485 1.00 0.00 H new ATOM 550 N VAL A 34 6.775 -17.840 4.503 1.00 0.00 N ATOM 551 CA VAL A 34 6.235 -19.051 3.912 1.00 0.00 C ATOM 552 C VAL A 34 5.645 -18.624 2.569 1.00 0.00 C ATOM 553 O VAL A 34 5.079 -17.533 2.455 1.00 0.00 O ATOM 554 CB VAL A 34 5.218 -19.677 4.889 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.277 -20.699 4.242 1.00 0.00 C ATOM 556 CG2 VAL A 34 5.992 -20.342 6.029 1.00 0.00 C ATOM 0 H VAL A 34 6.047 -17.178 4.771 1.00 0.00 H new ATOM 0 HA VAL A 34 6.976 -19.830 3.735 1.00 0.00 H new ATOM 0 HB VAL A 34 4.579 -18.870 5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.594 -21.092 4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.705 -20.216 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.862 -21.517 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.290 -20.791 6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.644 -21.115 5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.594 -19.594 6.545 1.00 0.00 H new ATOM 566 N HIS A 35 5.804 -19.445 1.533 1.00 0.00 N ATOM 567 CA HIS A 35 5.303 -19.133 0.194 1.00 0.00 C ATOM 568 C HIS A 35 5.207 -20.393 -0.661 1.00 0.00 C ATOM 569 O HIS A 35 5.720 -21.443 -0.273 1.00 0.00 O ATOM 570 CB HIS A 35 6.212 -18.088 -0.483 1.00 0.00 C ATOM 571 CG HIS A 35 7.564 -18.556 -0.976 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.197 -18.038 -2.108 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.390 -19.481 -0.395 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.372 -18.678 -2.196 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.515 -19.543 -1.184 1.00 0.00 N ATOM 0 H HIS A 35 6.282 -20.344 1.597 1.00 0.00 H new ATOM 0 HA HIS A 35 4.300 -18.716 0.291 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.670 -17.670 -1.331 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.374 -17.274 0.224 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.197 -20.048 0.503 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.102 -18.518 -2.975 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.322 -20.146 -1.025 1.00 0.00 H new ATOM 583 N LEU A 36 4.564 -20.294 -1.828 1.00 0.00 N ATOM 584 CA LEU A 36 4.616 -21.360 -2.824 1.00 0.00 C ATOM 585 C LEU A 36 5.910 -21.181 -3.610 1.00 0.00 C ATOM 586 O LEU A 36 6.303 -20.058 -3.930 1.00 0.00 O ATOM 587 CB LEU A 36 3.421 -21.313 -3.801 1.00 0.00 C ATOM 588 CG LEU A 36 2.122 -22.009 -3.356 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.324 -23.495 -3.036 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.497 -21.330 -2.143 1.00 0.00 C ATOM 0 H LEU A 36 4.004 -19.487 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 36 4.573 -22.322 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.192 -20.267 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.738 -21.759 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 36 1.448 -21.924 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.375 -23.933 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.691 -24.011 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.050 -23.598 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.583 -21.854 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.199 -21.356 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.261 -20.294 -2.387 1.00 0.00 H new ATOM 602 N ALA A 37 6.534 -22.295 -3.971 1.00 0.00 N ATOM 603 CA ALA A 37 7.752 -22.369 -4.759 1.00 0.00 C ATOM 604 C ALA A 37 7.675 -23.621 -5.639 1.00 0.00 C ATOM 605 O ALA A 37 6.879 -24.520 -5.347 1.00 0.00 O ATOM 606 CB ALA A 37 8.935 -22.466 -3.790 1.00 0.00 C ATOM 0 H ALA A 37 6.185 -23.216 -3.707 1.00 0.00 H new ATOM 0 HA ALA A 37 7.875 -21.492 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.865 -22.523 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.954 -21.585 -3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.829 -23.360 -3.175 1.00 0.00 H new ATOM 612 N PRO A 38 8.477 -23.725 -6.711 1.00 0.00 N ATOM 613 CA PRO A 38 8.605 -24.987 -7.427 1.00 0.00 C ATOM 614 C PRO A 38 9.235 -26.042 -6.494 1.00 0.00 C ATOM 615 O PRO A 38 9.936 -25.672 -5.546 1.00 0.00 O ATOM 616 CB PRO A 38 9.456 -24.670 -8.657 1.00 0.00 C ATOM 617 CG PRO A 38 10.279 -23.452 -8.232 1.00 0.00 C ATOM 618 CD PRO A 38 9.340 -22.703 -7.289 1.00 0.00 C ATOM 0 HA PRO A 38 7.652 -25.411 -7.744 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.096 -25.510 -8.927 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.836 -24.450 -9.526 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.202 -23.745 -7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.562 -22.839 -9.088 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.898 -22.176 -6.515 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.758 -21.955 -7.827 1.00 0.00 H new ATOM 626 N PRO A 39 9.001 -27.350 -6.728 1.00 0.00 N ATOM 627 CA PRO A 39 9.535 -28.422 -5.887 1.00 0.00 C ATOM 628 C PRO A 39 11.048 -28.323 -5.645 1.00 0.00 C ATOM 629 O PRO A 39 11.506 -28.554 -4.521 1.00 0.00 O ATOM 630 CB PRO A 39 9.163 -29.726 -6.600 1.00 0.00 C ATOM 631 CG PRO A 39 7.893 -29.359 -7.362 1.00 0.00 C ATOM 632 CD PRO A 39 8.135 -27.905 -7.762 1.00 0.00 C ATOM 0 HA PRO A 39 9.107 -28.361 -4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.954 -30.057 -7.273 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.987 -30.536 -5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.747 -29.998 -8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.005 -29.463 -6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.606 -27.842 -8.743 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.196 -27.354 -7.824 1.00 0.00 H new ATOM 846 N LYS A 57 2.596 -28.067 -10.977 1.00 0.00 N ATOM 847 CA LYS A 57 2.529 -28.257 -9.537 1.00 0.00 C ATOM 848 C LYS A 57 3.433 -27.245 -8.839 1.00 0.00 C ATOM 849 O LYS A 57 4.323 -26.665 -9.467 1.00 0.00 O ATOM 850 CB LYS A 57 2.910 -29.713 -9.228 1.00 0.00 C ATOM 851 CG LYS A 57 4.413 -30.012 -9.372 1.00 0.00 C ATOM 852 CD LYS A 57 4.734 -31.512 -9.302 1.00 0.00 C ATOM 853 CE LYS A 57 4.391 -32.127 -7.935 1.00 0.00 C ATOM 854 NZ LYS A 57 4.744 -33.569 -7.867 1.00 0.00 N ATOM 0 HA LYS A 57 1.521 -28.082 -9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.599 -29.951 -8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.354 -30.372 -9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.768 -29.614 -10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.959 -29.492 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.179 -32.035 -10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.794 -31.663 -9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.922 -31.587 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.325 -32.005 -7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.496 -33.943 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.218 -34.090 -8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.765 -33.684 -8.027 1.00 0.00 H new ATOM 868 N ALA A 58 3.237 -27.087 -7.537 1.00 0.00 N ATOM 869 CA ALA A 58 4.073 -26.292 -6.648 1.00 0.00 C ATOM 870 C ALA A 58 4.143 -26.971 -5.275 1.00 0.00 C ATOM 871 O ALA A 58 3.437 -27.948 -5.012 1.00 0.00 O ATOM 872 CB ALA A 58 3.500 -24.872 -6.545 1.00 0.00 C ATOM 0 H ALA A 58 2.457 -27.529 -7.051 1.00 0.00 H new ATOM 0 HA ALA A 58 5.086 -26.221 -7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.124 -24.275 -5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.482 -24.414 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.486 -24.917 -6.148 1.00 0.00 H new ATOM 878 N ILE A 59 4.977 -26.444 -4.385 1.00 0.00 N ATOM 879 CA ILE A 59 5.143 -26.910 -3.013 1.00 0.00 C ATOM 880 C ILE A 59 5.184 -25.670 -2.129 1.00 0.00 C ATOM 881 O ILE A 59 5.664 -24.613 -2.543 1.00 0.00 O ATOM 882 CB ILE A 59 6.410 -27.802 -2.903 1.00 0.00 C ATOM 883 CG1 ILE A 59 6.053 -29.215 -3.400 1.00 0.00 C ATOM 884 CG2 ILE A 59 6.982 -27.893 -1.474 1.00 0.00 C ATOM 885 CD1 ILE A 59 7.144 -30.280 -3.262 1.00 0.00 C ATOM 0 H ILE A 59 5.578 -25.651 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 59 4.318 -27.543 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 59 7.186 -27.341 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.172 -29.556 -2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.773 -29.147 -4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.865 -28.532 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.256 -26.896 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.230 -28.315 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.775 -31.231 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.023 -29.976 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.413 -30.392 -2.212 1.00 0.00 H new ATOM 897 N VAL A 60 4.678 -25.803 -0.907 1.00 0.00 N ATOM 898 CA VAL A 60 4.789 -24.744 0.089 1.00 0.00 C ATOM 899 C VAL A 60 6.185 -24.870 0.706 1.00 0.00 C ATOM 900 O VAL A 60 6.536 -25.935 1.214 1.00 0.00 O ATOM 901 CB VAL A 60 3.675 -24.865 1.146 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.737 -23.697 2.144 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.267 -24.873 0.527 1.00 0.00 C ATOM 0 H VAL A 60 4.186 -26.636 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 60 4.664 -23.759 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 60 3.849 -25.817 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.941 -23.805 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.702 -23.702 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.612 -22.755 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.522 -24.960 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.106 -23.946 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.174 -25.719 -0.154 1.00 0.00 H new ATOM 913 N LYS A 61 6.969 -23.794 0.704 1.00 0.00 N ATOM 914 CA LYS A 61 8.293 -23.738 1.320 1.00 0.00 C ATOM 915 C LYS A 61 8.322 -22.617 2.347 1.00 0.00 C ATOM 916 O LYS A 61 7.450 -21.746 2.362 1.00 0.00 O ATOM 917 CB LYS A 61 9.386 -23.524 0.251 1.00 0.00 C ATOM 918 CG LYS A 61 9.662 -24.801 -0.551 1.00 0.00 C ATOM 919 CD LYS A 61 10.876 -24.618 -1.481 1.00 0.00 C ATOM 920 CE LYS A 61 10.968 -25.693 -2.578 1.00 0.00 C ATOM 921 NZ LYS A 61 11.375 -27.029 -2.075 1.00 0.00 N ATOM 0 H LYS A 61 6.695 -22.916 0.263 1.00 0.00 H new ATOM 0 HA LYS A 61 8.496 -24.687 1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.078 -22.729 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.306 -23.193 0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.844 -25.631 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.783 -25.061 -1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.822 -23.635 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.788 -24.638 -0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.999 -25.780 -3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.682 -25.367 -3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.465 -27.688 -2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.289 -26.952 -1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.656 -27.384 -1.413 1.00 0.00 H new ATOM 935 N LYS A 62 9.360 -22.630 3.178 1.00 0.00 N ATOM 936 CA LYS A 62 9.659 -21.588 4.153 1.00 0.00 C ATOM 937 C LYS A 62 11.102 -21.175 3.906 1.00 0.00 C ATOM 938 O LYS A 62 11.978 -22.042 3.887 1.00 0.00 O ATOM 939 CB LYS A 62 9.443 -22.136 5.572 1.00 0.00 C ATOM 940 CG LYS A 62 9.705 -21.093 6.668 1.00 0.00 C ATOM 941 CD LYS A 62 9.419 -21.702 8.046 1.00 0.00 C ATOM 942 CE LYS A 62 9.713 -20.698 9.166 1.00 0.00 C ATOM 943 NZ LYS A 62 9.400 -21.263 10.499 1.00 0.00 N ATOM 0 H LYS A 62 10.038 -23.392 3.191 1.00 0.00 H new ATOM 0 HA LYS A 62 9.006 -20.721 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.419 -22.500 5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.100 -22.991 5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.739 -20.753 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.074 -20.219 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.376 -22.015 8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.028 -22.595 8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.763 -20.409 9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.127 -19.793 9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.765 -20.630 11.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.370 -21.358 10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.845 -22.198 10.593 1.00 0.00 H new ATOM 957 N GLU A 63 11.350 -19.890 3.672 1.00 0.00 N ATOM 958 CA GLU A 63 12.632 -19.371 3.204 1.00 0.00 C ATOM 959 C GLU A 63 12.813 -17.945 3.731 1.00 0.00 C ATOM 960 O GLU A 63 11.863 -17.316 4.201 1.00 0.00 O ATOM 961 CB GLU A 63 12.688 -19.395 1.659 1.00 0.00 C ATOM 962 CG GLU A 63 12.748 -20.819 1.082 1.00 0.00 C ATOM 963 CD GLU A 63 12.979 -20.832 -0.435 1.00 0.00 C ATOM 964 OE1 GLU A 63 11.980 -20.794 -1.185 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.149 -20.923 -0.874 1.00 0.00 O ATOM 0 H GLU A 63 10.648 -19.162 3.806 1.00 0.00 H new ATOM 0 HA GLU A 63 13.441 -19.998 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.811 -18.884 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.562 -18.836 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.549 -21.372 1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.817 -21.338 1.308 1.00 0.00 H new ATOM 972 N LEU A 64 14.045 -17.434 3.690 1.00 0.00 N ATOM 973 CA LEU A 64 14.364 -16.072 4.101 1.00 0.00 C ATOM 974 C LEU A 64 13.768 -15.097 3.084 1.00 0.00 C ATOM 975 O LEU A 64 14.033 -15.228 1.888 1.00 0.00 O ATOM 976 CB LEU A 64 15.895 -15.927 4.172 1.00 0.00 C ATOM 977 CG LEU A 64 16.377 -14.572 4.725 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.094 -14.436 6.225 1.00 0.00 C ATOM 979 CD2 LEU A 64 17.885 -14.438 4.482 1.00 0.00 C ATOM 0 H LEU A 64 14.855 -17.962 3.367 1.00 0.00 H new ATOM 0 HA LEU A 64 13.943 -15.851 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.295 -16.725 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.309 -16.067 3.173 1.00 0.00 H new ATOM 0 HG LEU A 64 15.832 -13.783 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.449 -13.467 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.021 -14.515 6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.610 -15.229 6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.233 -13.481 4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.409 -15.248 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.087 -14.490 3.412 1.00 0.00 H new ATOM 991 N LEU A 65 13.016 -14.092 3.542 1.00 0.00 N ATOM 992 CA LEU A 65 12.367 -13.102 2.682 1.00 0.00 C ATOM 993 C LEU A 65 13.384 -12.459 1.757 1.00 0.00 C ATOM 994 O LEU A 65 13.132 -12.345 0.563 1.00 0.00 O ATOM 995 CB LEU A 65 11.653 -12.035 3.536 1.00 0.00 C ATOM 996 CG LEU A 65 10.804 -11.035 2.719 1.00 0.00 C ATOM 997 CD1 LEU A 65 9.742 -10.397 3.628 1.00 0.00 C ATOM 998 CD2 LEU A 65 11.604 -9.861 2.138 1.00 0.00 C ATOM 0 H LEU A 65 12.839 -13.942 4.535 1.00 0.00 H new ATOM 0 HA LEU A 65 11.619 -13.607 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.009 -12.536 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.400 -11.481 4.104 1.00 0.00 H new ATOM 0 HG LEU A 65 10.386 -11.622 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.144 -9.692 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.095 -11.175 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.233 -9.871 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.935 -9.206 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.067 -9.300 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.378 -10.242 1.472 1.00 0.00 H new ATOM 1010 N TYR A 66 14.540 -12.073 2.291 1.00 0.00 N ATOM 1011 CA TYR A 66 15.553 -11.345 1.541 1.00 0.00 C ATOM 1012 C TYR A 66 16.139 -12.179 0.391 1.00 0.00 C ATOM 1013 O TYR A 66 16.708 -11.605 -0.538 1.00 0.00 O ATOM 1014 CB TYR A 66 16.631 -10.841 2.513 1.00 0.00 C ATOM 1015 CG TYR A 66 16.070 -10.182 3.768 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.140 -9.126 3.663 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.427 -10.666 5.042 1.00 0.00 C ATOM 1018 CE1 TYR A 66 14.556 -8.575 4.818 1.00 0.00 C ATOM 1019 CE2 TYR A 66 15.853 -10.116 6.203 1.00 0.00 C ATOM 1020 CZ TYR A 66 14.909 -9.068 6.095 1.00 0.00 C ATOM 1021 OH TYR A 66 14.338 -8.525 7.207 1.00 0.00 O ATOM 0 H TYR A 66 14.799 -12.258 3.260 1.00 0.00 H new ATOM 0 HA TYR A 66 15.087 -10.485 1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.263 -11.679 2.806 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.270 -10.127 1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 66 14.875 -8.739 2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 66 17.147 -11.466 5.128 1.00 0.00 H new ATOM 0 HE1 TYR A 66 13.837 -7.774 4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.133 -10.494 7.175 1.00 0.00 H new ATOM 0 HH TYR A 66 14.685 -8.975 8.006 1.00 0.00 H new ATOM 1031 N ASP A 67 15.979 -13.509 0.413 1.00 0.00 N ATOM 1032 CA ASP A 67 16.311 -14.369 -0.722 1.00 0.00 C ATOM 1033 C ASP A 67 15.113 -14.495 -1.668 1.00 0.00 C ATOM 1034 O ASP A 67 15.280 -14.337 -2.877 1.00 0.00 O ATOM 1035 CB ASP A 67 16.747 -15.755 -0.240 1.00 0.00 C ATOM 1036 CG ASP A 67 17.108 -16.643 -1.442 1.00 0.00 C ATOM 1037 OD1 ASP A 67 18.197 -16.451 -2.028 1.00 0.00 O ATOM 1038 OD2 ASP A 67 16.319 -17.548 -1.785 1.00 0.00 O ATOM 0 H ASP A 67 15.615 -14.015 1.220 1.00 0.00 H new ATOM 0 HA ASP A 67 17.139 -13.912 -1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.605 -15.664 0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.945 -16.217 0.336 1.00 0.00 H new ATOM 1043 N VAL A 68 13.899 -14.692 -1.135 1.00 0.00 N ATOM 1044 CA VAL A 68 12.660 -14.775 -1.919 1.00 0.00 C ATOM 1045 C VAL A 68 12.464 -13.508 -2.767 1.00 0.00 C ATOM 1046 O VAL A 68 12.066 -13.601 -3.930 1.00 0.00 O ATOM 1047 CB VAL A 68 11.460 -15.044 -0.973 1.00 0.00 C ATOM 1048 CG1 VAL A 68 10.110 -15.042 -1.710 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.609 -16.416 -0.292 1.00 0.00 C ATOM 0 H VAL A 68 13.749 -14.800 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 68 12.728 -15.609 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 68 11.468 -14.235 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.307 -15.235 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.953 -14.071 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.112 -15.819 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.759 -16.589 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.644 -17.197 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.530 -16.435 0.290 1.00 0.00 H new ATOM 1059 N ALA A 69 12.769 -12.336 -2.202 1.00 0.00 N ATOM 1060 CA ALA A 69 12.623 -11.035 -2.836 1.00 0.00 C ATOM 1061 C ALA A 69 13.824 -10.653 -3.707 1.00 0.00 C ATOM 1062 O ALA A 69 13.798 -9.591 -4.333 1.00 0.00 O ATOM 1063 CB ALA A 69 12.399 -9.974 -1.754 1.00 0.00 C ATOM 0 H ALA A 69 13.138 -12.272 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 69 11.763 -11.090 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.289 -8.995 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.496 -10.212 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.253 -9.959 -1.077 1.00 0.00 H new ATOM 1069 N GLY A 70 14.866 -11.492 -3.766 1.00 0.00 N ATOM 1070 CA GLY A 70 16.081 -11.230 -4.532 1.00 0.00 C ATOM 1071 C GLY A 70 15.816 -11.014 -6.025 1.00 0.00 C ATOM 1072 O GLY A 70 16.657 -10.439 -6.718 1.00 0.00 O ATOM 0 H GLY A 70 14.884 -12.385 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.576 -10.348 -4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.769 -12.067 -4.409 1.00 0.00 H new ATOM 1076 N SER A 71 14.650 -11.447 -6.516 1.00 0.00 N ATOM 1077 CA SER A 71 14.185 -11.253 -7.878 1.00 0.00 C ATOM 1078 C SER A 71 14.210 -9.780 -8.300 1.00 0.00 C ATOM 1079 O SER A 71 14.660 -9.476 -9.406 1.00 0.00 O ATOM 1080 CB SER A 71 12.768 -11.821 -7.978 1.00 0.00 C ATOM 1081 OG SER A 71 12.647 -13.052 -7.277 1.00 0.00 O ATOM 0 H SER A 71 13.982 -11.963 -5.944 1.00 0.00 H new ATOM 0 HA SER A 71 14.858 -11.774 -8.559 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.057 -11.100 -7.574 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.509 -11.971 -9.026 1.00 0.00 H new ATOM 0 HG SER A 71 12.537 -13.784 -7.919 1.00 0.00 H new ATOM 1087 N ASP A 72 13.762 -8.870 -7.426 1.00 0.00 N ATOM 1088 CA ASP A 72 13.837 -7.428 -7.637 1.00 0.00 C ATOM 1089 C ASP A 72 13.688 -6.662 -6.320 1.00 0.00 C ATOM 1090 O ASP A 72 14.656 -6.076 -5.833 1.00 0.00 O ATOM 1091 CB ASP A 72 12.768 -6.978 -8.645 1.00 0.00 C ATOM 1092 CG ASP A 72 12.816 -5.465 -8.916 1.00 0.00 C ATOM 1093 OD1 ASP A 72 13.922 -4.887 -9.011 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.736 -4.855 -9.077 1.00 0.00 O ATOM 0 H ASP A 72 13.330 -9.125 -6.538 1.00 0.00 H new ATOM 0 HA ASP A 72 14.822 -7.201 -8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.907 -7.517 -9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.781 -7.245 -8.267 1.00 0.00 H new ATOM 1099 N LYS A 73 12.487 -6.692 -5.735 1.00 0.00 N ATOM 1100 CA LYS A 73 12.100 -5.991 -4.502 1.00 0.00 C ATOM 1101 C LYS A 73 10.755 -6.545 -4.020 1.00 0.00 C ATOM 1102 O LYS A 73 10.220 -7.474 -4.628 1.00 0.00 O ATOM 1103 CB LYS A 73 12.058 -4.460 -4.721 1.00 0.00 C ATOM 1104 CG LYS A 73 10.999 -4.002 -5.735 1.00 0.00 C ATOM 1105 CD LYS A 73 11.074 -2.491 -6.002 1.00 0.00 C ATOM 1106 CE LYS A 73 10.118 -2.069 -7.130 1.00 0.00 C ATOM 1107 NZ LYS A 73 10.641 -2.394 -8.481 1.00 0.00 N ATOM 0 H LYS A 73 11.717 -7.233 -6.127 1.00 0.00 H new ATOM 0 HA LYS A 73 12.847 -6.167 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.866 -3.972 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.039 -4.125 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.136 -4.543 -6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.007 -4.256 -5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.826 -1.947 -5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.095 -2.218 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.157 -2.563 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.937 -0.996 -7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.879 -2.295 -9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.417 -1.743 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.994 -3.372 -8.490 1.00 0.00 H new ATOM 1121 N TYR A 74 10.188 -5.990 -2.950 1.00 0.00 N ATOM 1122 CA TYR A 74 8.943 -6.464 -2.353 1.00 0.00 C ATOM 1123 C TYR A 74 8.259 -5.343 -1.568 1.00 0.00 C ATOM 1124 O TYR A 74 8.886 -4.317 -1.282 1.00 0.00 O ATOM 1125 CB TYR A 74 9.261 -7.627 -1.402 1.00 0.00 C ATOM 1126 CG TYR A 74 9.965 -7.214 -0.114 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.351 -6.948 -0.100 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.216 -7.042 1.069 1.00 0.00 C ATOM 1129 CE1 TYR A 74 11.985 -6.527 1.084 1.00 0.00 C ATOM 1130 CE2 TYR A 74 9.842 -6.622 2.257 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.232 -6.365 2.271 1.00 0.00 C ATOM 1132 OH TYR A 74 11.832 -5.977 3.432 1.00 0.00 O ATOM 0 H TYR A 74 10.588 -5.186 -2.467 1.00 0.00 H new ATOM 0 HA TYR A 74 8.271 -6.793 -3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.331 -8.136 -1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.886 -8.349 -1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.929 -7.068 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.153 -7.234 1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.046 -6.328 1.087 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.260 -6.496 3.158 1.00 0.00 H new ATOM 0 HH TYR A 74 11.160 -5.917 4.143 1.00 0.00 H new ATOM 1142 N GLN A 75 7.001 -5.570 -1.172 1.00 0.00 N ATOM 1143 CA GLN A 75 6.283 -4.730 -0.223 1.00 0.00 C ATOM 1144 C GLN A 75 5.242 -5.557 0.536 1.00 0.00 C ATOM 1145 O GLN A 75 4.848 -6.638 0.096 1.00 0.00 O ATOM 1146 CB GLN A 75 5.688 -3.465 -0.883 1.00 0.00 C ATOM 1147 CG GLN A 75 4.809 -3.681 -2.128 1.00 0.00 C ATOM 1148 CD GLN A 75 5.574 -3.875 -3.446 1.00 0.00 C ATOM 1149 OE1 GLN A 75 6.751 -3.559 -3.591 1.00 0.00 O ATOM 1150 NE2 GLN A 75 4.903 -4.380 -4.466 1.00 0.00 N ATOM 0 H GLN A 75 6.449 -6.358 -1.512 1.00 0.00 H new ATOM 0 HA GLN A 75 7.000 -4.356 0.508 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.095 -2.939 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.511 -2.806 -1.158 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.179 -4.555 -1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.144 -2.824 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.925 -4.645 -4.352 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.363 -4.505 -5.367 1.00 0.00 H new ATOM 1159 N VAL A 76 4.803 -5.063 1.694 1.00 0.00 N ATOM 1160 CA VAL A 76 3.667 -5.621 2.413 1.00 0.00 C ATOM 1161 C VAL A 76 2.424 -5.266 1.589 1.00 0.00 C ATOM 1162 O VAL A 76 2.315 -4.145 1.081 1.00 0.00 O ATOM 1163 CB VAL A 76 3.607 -5.043 3.847 1.00 0.00 C ATOM 1164 CG1 VAL A 76 2.514 -5.712 4.695 1.00 0.00 C ATOM 1165 CG2 VAL A 76 4.943 -5.217 4.590 1.00 0.00 C ATOM 0 H VAL A 76 5.230 -4.261 2.158 1.00 0.00 H new ATOM 0 HA VAL A 76 3.743 -6.702 2.527 1.00 0.00 H new ATOM 0 HB VAL A 76 3.382 -3.984 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.509 -5.274 5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.543 -5.556 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.714 -6.781 4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.859 -4.798 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.186 -6.277 4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.732 -4.699 4.045 1.00 0.00 H new ATOM 1175 N ASN A 77 1.482 -6.200 1.464 1.00 0.00 N ATOM 1176 CA ASN A 77 0.197 -5.957 0.811 1.00 0.00 C ATOM 1177 C ASN A 77 -0.880 -6.813 1.468 1.00 0.00 C ATOM 1178 O ASN A 77 -1.384 -7.770 0.880 1.00 0.00 O ATOM 1179 CB ASN A 77 0.262 -6.164 -0.714 1.00 0.00 C ATOM 1180 CG ASN A 77 -1.047 -5.752 -1.400 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.947 -5.170 -0.799 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -1.174 -6.006 -2.690 1.00 0.00 N ATOM 0 H ASN A 77 1.590 -7.152 1.815 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.065 -4.908 0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.087 -5.582 -1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.472 -7.212 -0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.018 -5.719 -3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.428 -6.489 -3.191 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.197 -6.506 2.729 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.353 -7.088 3.403 1.00 0.00 C ATOM 1191 C ASN A 78 -3.598 -6.756 2.583 1.00 0.00 C ATOM 1192 O ASN A 78 -3.929 -5.582 2.404 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.493 -6.539 4.824 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.561 -7.203 5.827 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.289 -8.399 5.764 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -1.051 -6.440 6.775 1.00 0.00 N ATOM 0 H ASN A 78 -0.664 -5.853 3.304 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.226 -8.168 3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.296 -5.467 4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.523 -6.670 5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.421 -6.842 7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.287 -5.448 6.814 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.272 -7.785 2.068 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.339 -7.609 1.087 1.00 0.00 C ATOM 1205 C LYS A 79 -6.590 -6.997 1.725 1.00 0.00 C ATOM 1206 O LYS A 79 -7.228 -6.146 1.106 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.642 -8.967 0.426 1.00 0.00 C ATOM 1208 CG LYS A 79 -6.316 -8.840 -0.949 1.00 0.00 C ATOM 1209 CD LYS A 79 -5.316 -8.497 -2.065 1.00 0.00 C ATOM 1210 CE LYS A 79 -6.069 -8.276 -3.384 1.00 0.00 C ATOM 1211 NZ LYS A 79 -5.155 -8.150 -4.544 1.00 0.00 N ATOM 0 H LYS A 79 -4.094 -8.758 2.318 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.010 -6.908 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.712 -9.525 0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.286 -9.548 1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.819 -9.776 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.084 -8.068 -0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.755 -7.601 -1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.592 -9.304 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.752 -9.108 -3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.677 -7.375 -3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.634 -7.633 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.300 -7.632 -4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.889 -9.097 -4.881 1.00 0.00 H new ATOM 1225 N HIS A 80 -6.924 -7.396 2.960 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.176 -7.039 3.626 1.00 0.00 C ATOM 1227 C HIS A 80 -7.995 -6.842 5.128 1.00 0.00 C ATOM 1228 O HIS A 80 -8.964 -6.964 5.871 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.247 -8.114 3.414 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.487 -8.556 1.993 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -10.225 -7.857 1.033 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -9.048 -9.729 1.452 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -10.204 -8.629 -0.069 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -9.508 -9.757 0.156 1.00 0.00 N ATOM 0 H HIS A 80 -6.319 -7.986 3.531 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.494 -6.098 3.176 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.972 -8.990 4.001 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.188 -7.742 3.819 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.456 -10.486 1.944 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.680 -8.377 -1.005 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.348 -10.505 -0.519 1.00 0.00 H new ATOM 1242 N ASP A 81 -6.801 -6.491 5.614 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.590 -6.194 7.047 1.00 0.00 C ATOM 1244 C ASP A 81 -7.383 -4.953 7.504 1.00 0.00 C ATOM 1245 O ASP A 81 -7.377 -4.592 8.679 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.091 -6.041 7.323 1.00 0.00 C ATOM 1247 CG ASP A 81 -4.757 -5.885 8.813 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -4.801 -6.912 9.529 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -4.332 -4.787 9.243 1.00 0.00 O ATOM 0 H ASP A 81 -5.961 -6.404 5.042 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.972 -7.030 7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.566 -6.912 6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.716 -5.172 6.782 1.00 0.00 H new ATOM 1254 N ASP A 82 -8.102 -4.315 6.574 1.00 0.00 N ATOM 1255 CA ASP A 82 -8.961 -3.153 6.815 1.00 0.00 C ATOM 1256 C ASP A 82 -10.435 -3.574 6.918 1.00 0.00 C ATOM 1257 O ASP A 82 -11.297 -2.763 7.259 1.00 0.00 O ATOM 1258 CB ASP A 82 -8.759 -2.143 5.675 1.00 0.00 C ATOM 1259 CG ASP A 82 -9.556 -0.844 5.890 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -9.287 -0.119 6.875 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -10.412 -0.506 5.042 1.00 0.00 O ATOM 0 H ASP A 82 -8.101 -4.606 5.596 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.688 -2.690 7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.699 -1.905 5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.061 -2.599 4.732 1.00 0.00 H new ATOM 1266 N LYS A 83 -10.733 -4.852 6.643 1.00 0.00 N ATOM 1267 CA LYS A 83 -12.089 -5.387 6.537 1.00 0.00 C ATOM 1268 C LYS A 83 -12.264 -6.633 7.402 1.00 0.00 C ATOM 1269 O LYS A 83 -13.360 -6.853 7.920 1.00 0.00 O ATOM 1270 CB LYS A 83 -12.424 -5.736 5.072 1.00 0.00 C ATOM 1271 CG LYS A 83 -11.981 -4.691 4.031 1.00 0.00 C ATOM 1272 CD LYS A 83 -12.459 -5.027 2.607 1.00 0.00 C ATOM 1273 CE LYS A 83 -13.987 -5.001 2.413 1.00 0.00 C ATOM 1274 NZ LYS A 83 -14.573 -3.645 2.572 1.00 0.00 N ATOM 0 H LYS A 83 -10.014 -5.558 6.485 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.770 -4.614 6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.957 -6.690 4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.501 -5.877 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.368 -3.713 4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.893 -4.618 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.007 -4.320 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.090 -6.017 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.227 -5.380 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.450 -5.677 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.602 -3.693 2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.372 -3.290 3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.156 -3.002 1.869 1.00 0.00 H new ATOM 1288 N TYR A 84 -11.206 -7.429 7.575 1.00 0.00 N ATOM 1289 CA TYR A 84 -11.256 -8.742 8.201 1.00 0.00 C ATOM 1290 C TYR A 84 -9.971 -9.028 8.974 1.00 0.00 C ATOM 1291 O TYR A 84 -8.880 -8.614 8.576 1.00 0.00 O ATOM 1292 CB TYR A 84 -11.423 -9.812 7.110 1.00 0.00 C ATOM 1293 CG TYR A 84 -12.768 -9.794 6.412 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -13.923 -10.181 7.117 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -12.868 -9.386 5.070 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -15.179 -10.154 6.484 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -14.119 -9.353 4.429 1.00 0.00 C ATOM 1298 CZ TYR A 84 -15.283 -9.738 5.136 1.00 0.00 C ATOM 1299 OH TYR A 84 -16.506 -9.715 4.534 1.00 0.00 O ATOM 0 H TYR A 84 -10.268 -7.166 7.273 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.096 -8.763 8.895 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.639 -9.678 6.364 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.273 -10.795 7.557 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.845 -10.499 8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.979 -9.096 4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.064 -10.451 7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -14.191 -9.035 3.400 1.00 0.00 H new ATOM 0 HH TYR A 84 -16.410 -9.405 3.609 1.00 0.00 H new ATOM 1309 N SER A 85 -10.114 -9.808 10.044 1.00 0.00 N ATOM 1310 CA SER A 85 -9.016 -10.402 10.802 1.00 0.00 C ATOM 1311 C SER A 85 -9.560 -11.556 11.664 1.00 0.00 C ATOM 1312 O SER A 85 -9.571 -11.467 12.895 1.00 0.00 O ATOM 1313 CB SER A 85 -8.240 -9.349 11.612 1.00 0.00 C ATOM 1314 OG SER A 85 -9.085 -8.387 12.235 1.00 0.00 O ATOM 0 H SER A 85 -11.030 -10.052 10.420 1.00 0.00 H new ATOM 0 HA SER A 85 -8.284 -10.818 10.110 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.647 -9.852 12.376 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.540 -8.836 10.953 1.00 0.00 H new ATOM 0 HG SER A 85 -8.538 -7.746 12.736 1.00 0.00 H new ATOM 1320 N PRO A 86 -10.050 -12.649 11.045 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.571 -13.799 11.783 1.00 0.00 C ATOM 1322 C PRO A 86 -9.491 -14.535 12.588 1.00 0.00 C ATOM 1323 O PRO A 86 -9.825 -15.353 13.449 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.177 -14.723 10.727 1.00 0.00 C ATOM 1325 CG PRO A 86 -10.445 -14.363 9.439 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.135 -12.881 9.609 1.00 0.00 C ATOM 0 HA PRO A 86 -11.302 -13.471 12.522 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.031 -15.772 10.986 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.251 -14.565 10.631 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.536 -14.952 9.316 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.064 -14.545 8.561 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.199 -12.619 9.116 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.915 -12.266 9.160 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.212 -14.270 12.308 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.070 -15.006 12.838 1.00 0.00 C ATOM 1336 C LEU A 87 -6.072 -13.997 13.419 1.00 0.00 C ATOM 1337 O LEU A 87 -5.679 -13.079 12.694 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.398 -15.814 11.708 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.281 -16.886 11.042 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -6.512 -17.536 9.891 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -7.729 -17.968 12.029 1.00 0.00 C ATOM 0 H LEU A 87 -7.938 -13.511 11.685 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.398 -15.698 13.614 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.060 -15.119 10.940 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.510 -16.300 12.112 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.177 -16.388 10.671 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.136 -18.295 9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.246 -16.776 9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.605 -18.001 10.276 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.349 -18.700 11.510 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.853 -18.465 12.446 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.304 -17.511 12.834 1.00 0.00 H new ATOM 1353 N PRO A 88 -5.654 -14.130 14.691 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.551 -13.348 15.238 1.00 0.00 C ATOM 1355 C PRO A 88 -3.220 -13.841 14.655 1.00 0.00 C ATOM 1356 O PRO A 88 -3.147 -14.929 14.076 1.00 0.00 O ATOM 1357 CB PRO A 88 -4.624 -13.550 16.755 1.00 0.00 C ATOM 1358 CG PRO A 88 -5.204 -14.956 16.884 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.167 -15.047 15.700 1.00 0.00 C ATOM 0 HA PRO A 88 -4.619 -12.290 14.986 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.641 -13.474 17.220 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.261 -12.805 17.232 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.427 -15.719 16.830 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.720 -15.093 17.834 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.214 -16.065 15.313 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.179 -14.772 15.998 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.156 -13.054 14.857 1.00 0.00 N ATOM 1368 CA CYS A 89 -0.807 -13.345 14.373 1.00 0.00 C ATOM 1369 C CYS A 89 -0.393 -14.787 14.670 1.00 0.00 C ATOM 1370 O CYS A 89 0.023 -15.497 13.758 1.00 0.00 O ATOM 1371 CB CYS A 89 0.191 -12.324 14.947 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.021 -12.080 16.740 1.00 0.00 S ATOM 0 H CYS A 89 -2.214 -12.177 15.374 1.00 0.00 H new ATOM 0 HA CYS A 89 -0.803 -13.248 13.287 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.208 -12.661 14.747 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.065 -11.370 14.436 1.00 0.00 H new ATOM 0 HG CYS A 89 0.848 -11.212 17.166 1.00 0.00 H new ATOM 1378 N SER A 90 -0.573 -15.236 15.912 1.00 0.00 N ATOM 1379 CA SER A 90 -0.196 -16.562 16.379 1.00 0.00 C ATOM 1380 C SER A 90 -0.798 -17.662 15.509 1.00 0.00 C ATOM 1381 O SER A 90 -0.071 -18.492 14.968 1.00 0.00 O ATOM 1382 CB SER A 90 -0.620 -16.691 17.848 1.00 0.00 C ATOM 1383 OG SER A 90 -1.927 -16.161 18.044 1.00 0.00 O ATOM 0 H SER A 90 -1.000 -14.665 16.642 1.00 0.00 H new ATOM 0 HA SER A 90 0.884 -16.685 16.302 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.599 -17.739 18.147 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.091 -16.164 18.484 1.00 0.00 H new ATOM 0 HG SER A 90 -2.180 -16.254 18.986 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.118 -17.649 15.325 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.841 -18.612 14.503 1.00 0.00 C ATOM 1391 C LYS A 91 -2.428 -18.522 13.039 1.00 0.00 C ATOM 1392 O LYS A 91 -2.364 -19.560 12.388 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.361 -18.419 14.640 1.00 0.00 C ATOM 1394 CG LYS A 91 -4.919 -18.657 16.055 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.736 -20.097 16.559 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.442 -20.264 17.912 1.00 0.00 C ATOM 1397 NZ LYS A 91 -5.314 -21.642 18.453 1.00 0.00 N ATOM 0 H LYS A 91 -2.726 -16.952 15.754 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.581 -19.606 14.865 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.613 -17.404 14.332 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.862 -19.096 13.949 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.429 -17.974 16.749 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.981 -18.411 16.063 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.145 -20.801 15.835 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.675 -20.325 16.661 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.023 -19.556 18.627 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.498 -20.017 17.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.807 -21.703 19.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.737 -22.318 17.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.308 -21.871 18.586 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.118 -17.335 12.510 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.621 -17.234 11.138 1.00 0.00 C ATOM 1413 C ILE A 92 -0.297 -18.002 11.039 1.00 0.00 C ATOM 1414 O ILE A 92 -0.126 -18.789 10.106 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.488 -15.763 10.683 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -2.842 -15.020 10.720 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -0.931 -15.706 9.247 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -2.663 -13.504 10.850 1.00 0.00 C ATOM 0 H ILE A 92 -2.201 -16.445 13.002 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.340 -17.685 10.455 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.807 -15.271 11.378 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.402 -15.242 9.812 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.434 -15.388 11.558 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.840 -14.666 8.933 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.050 -16.181 9.218 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.608 -16.231 8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.641 -13.023 10.872 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.127 -13.279 11.772 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.094 -13.130 9.999 1.00 0.00 H new ATOM 1430 N ILE A 93 0.617 -17.833 12.005 1.00 0.00 N ATOM 1431 CA ILE A 93 1.877 -18.565 12.006 1.00 0.00 C ATOM 1432 C ILE A 93 1.574 -20.056 12.145 1.00 0.00 C ATOM 1433 O ILE A 93 2.075 -20.849 11.356 1.00 0.00 O ATOM 1434 CB ILE A 93 2.843 -18.076 13.115 1.00 0.00 C ATOM 1435 CG1 ILE A 93 3.085 -16.551 13.180 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.203 -18.763 12.930 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.104 -15.831 11.829 1.00 0.00 C ATOM 0 H ILE A 93 0.501 -17.195 12.792 1.00 0.00 H new ATOM 0 HA ILE A 93 2.392 -18.380 11.063 1.00 0.00 H new ATOM 0 HB ILE A 93 2.349 -18.339 14.050 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.309 -16.103 13.800 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.036 -16.372 13.681 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.890 -18.425 13.706 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.078 -19.843 13.002 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.609 -18.509 11.951 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.281 -14.767 11.986 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.900 -16.243 11.208 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.145 -15.970 11.329 1.00 0.00 H new ATOM 1449 N GLN A 94 0.737 -20.446 13.109 1.00 0.00 N ATOM 1450 CA GLN A 94 0.420 -21.845 13.370 1.00 0.00 C ATOM 1451 C GLN A 94 -0.122 -22.519 12.098 1.00 0.00 C ATOM 1452 O GLN A 94 0.269 -23.640 11.777 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.451 -21.974 14.645 1.00 0.00 C ATOM 1454 CG GLN A 94 -1.940 -22.303 14.474 1.00 0.00 C ATOM 1455 CD GLN A 94 -2.210 -23.731 13.987 1.00 0.00 C ATOM 1456 OE1 GLN A 94 -1.678 -24.704 14.515 1.00 0.00 O ATOM 1457 NE2 GLN A 94 -3.025 -23.884 12.957 1.00 0.00 N ATOM 0 H GLN A 94 0.260 -19.794 13.732 1.00 0.00 H new ATOM 0 HA GLN A 94 1.321 -22.411 13.607 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -0.009 -22.747 15.274 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.378 -21.036 15.195 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -2.447 -22.153 15.427 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -2.378 -21.600 13.766 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.461 -23.069 12.526 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -3.217 -24.817 12.593 1.00 0.00 H new ATOM 1466 N ARG A 95 -0.965 -21.817 11.330 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.480 -22.300 10.054 1.00 0.00 C ATOM 1468 C ARG A 95 -0.323 -22.475 9.072 1.00 0.00 C ATOM 1469 O ARG A 95 -0.134 -23.567 8.543 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.530 -21.299 9.543 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.323 -21.795 8.330 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.565 -22.615 8.715 1.00 0.00 C ATOM 1473 NE ARG A 95 -5.474 -22.804 7.566 1.00 0.00 N ATOM 1474 CZ ARG A 95 -6.220 -21.851 6.987 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -6.212 -20.606 7.454 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -6.969 -22.129 5.926 1.00 0.00 N ATOM 0 H ARG A 95 -1.308 -20.891 11.584 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.960 -23.272 10.166 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -3.225 -21.073 10.351 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.031 -20.366 9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.632 -20.939 7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.673 -22.405 7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.255 -23.588 9.097 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.098 -22.111 9.521 1.00 0.00 H new ATOM 0 HE ARG A 95 -5.541 -23.745 7.177 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.635 -20.367 8.260 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.783 -19.890 7.006 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.981 -23.075 5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.532 -21.397 5.494 1.00 0.00 H new ATOM 1490 N ALA A 96 0.477 -21.428 8.854 1.00 0.00 N ATOM 1491 CA ALA A 96 1.625 -21.487 7.961 1.00 0.00 C ATOM 1492 C ALA A 96 2.514 -22.691 8.279 1.00 0.00 C ATOM 1493 O ALA A 96 2.907 -23.419 7.371 1.00 0.00 O ATOM 1494 CB ALA A 96 2.410 -20.171 8.038 1.00 0.00 C ATOM 0 H ALA A 96 0.343 -20.518 9.294 1.00 0.00 H new ATOM 0 HA ALA A 96 1.269 -21.618 6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.268 -20.220 7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.764 -19.344 7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.756 -20.013 9.060 1.00 0.00 H new ATOM 1500 N GLU A 97 2.769 -22.936 9.563 1.00 0.00 N ATOM 1501 CA GLU A 97 3.654 -23.979 10.058 1.00 0.00 C ATOM 1502 C GLU A 97 3.087 -25.377 9.795 1.00 0.00 C ATOM 1503 O GLU A 97 3.856 -26.309 9.552 1.00 0.00 O ATOM 1504 CB GLU A 97 3.895 -23.776 11.563 1.00 0.00 C ATOM 1505 CG GLU A 97 4.776 -22.555 11.873 1.00 0.00 C ATOM 1506 CD GLU A 97 6.263 -22.808 11.583 1.00 0.00 C ATOM 1507 OE1 GLU A 97 6.917 -23.562 12.339 1.00 0.00 O ATOM 1508 OE2 GLU A 97 6.806 -22.220 10.622 1.00 0.00 O ATOM 0 H GLU A 97 2.346 -22.390 10.313 1.00 0.00 H new ATOM 0 HA GLU A 97 4.600 -23.905 9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.935 -23.661 12.066 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.365 -24.670 11.973 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.434 -21.706 11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.656 -22.282 12.921 1.00 0.00 H new ATOM 1515 N GLU A 98 1.761 -25.537 9.805 1.00 0.00 N ATOM 1516 CA GLU A 98 1.109 -26.799 9.483 1.00 0.00 C ATOM 1517 C GLU A 98 1.230 -27.108 7.987 1.00 0.00 C ATOM 1518 O GLU A 98 1.188 -28.275 7.591 1.00 0.00 O ATOM 1519 CB GLU A 98 -0.376 -26.747 9.884 1.00 0.00 C ATOM 1520 CG GLU A 98 -0.594 -27.040 11.372 1.00 0.00 C ATOM 1521 CD GLU A 98 -2.085 -27.233 11.709 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -2.886 -26.283 11.559 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -2.469 -28.344 12.141 1.00 0.00 O ATOM 0 H GLU A 98 1.110 -24.787 10.039 1.00 0.00 H new ATOM 0 HA GLU A 98 1.606 -27.591 10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.778 -25.762 9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.935 -27.470 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.040 -27.937 11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.191 -26.220 11.966 1.00 0.00 H new ATOM 1530 N LEU A 99 1.384 -26.071 7.159 1.00 0.00 N ATOM 1531 CA LEU A 99 1.264 -26.174 5.707 1.00 0.00 C ATOM 1532 C LEU A 99 2.612 -26.150 4.985 1.00 0.00 C ATOM 1533 O LEU A 99 2.636 -26.478 3.803 1.00 0.00 O ATOM 1534 CB LEU A 99 0.302 -25.077 5.228 1.00 0.00 C ATOM 1535 CG LEU A 99 -1.094 -25.166 5.895 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -1.932 -23.958 5.480 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.870 -26.454 5.599 1.00 0.00 C ATOM 0 H LEU A 99 1.598 -25.128 7.484 1.00 0.00 H new ATOM 0 HA LEU A 99 0.853 -27.150 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.738 -24.101 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.188 -25.148 4.146 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.909 -25.175 6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.914 -24.019 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.434 -23.043 5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.046 -23.950 4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.833 -26.424 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.031 -26.543 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.299 -27.312 5.953 1.00 0.00 H new ATOM 1549 N VAL A 100 3.738 -25.832 5.636 1.00 0.00 N ATOM 1550 CA VAL A 100 5.054 -25.969 4.998 1.00 0.00 C ATOM 1551 C VAL A 100 5.270 -27.429 4.577 1.00 0.00 C ATOM 1552 O VAL A 100 4.939 -28.359 5.318 1.00 0.00 O ATOM 1553 CB VAL A 100 6.211 -25.476 5.901 1.00 0.00 C ATOM 1554 CG1 VAL A 100 7.506 -25.294 5.088 1.00 0.00 C ATOM 1555 CG2 VAL A 100 5.912 -24.142 6.595 1.00 0.00 C ATOM 0 H VAL A 100 3.766 -25.482 6.594 1.00 0.00 H new ATOM 0 HA VAL A 100 5.063 -25.329 4.116 1.00 0.00 H new ATOM 0 HB VAL A 100 6.328 -26.249 6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.303 -24.947 5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.792 -26.246 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.341 -24.559 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.763 -23.854 7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.732 -23.373 5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.028 -24.249 7.224 1.00 0.00 H new ATOM 1565 N GLY A 101 5.860 -27.626 3.396 1.00 0.00 N ATOM 1566 CA GLY A 101 6.314 -28.915 2.904 1.00 0.00 C ATOM 1567 C GLY A 101 5.230 -29.698 2.166 1.00 0.00 C ATOM 1568 O GLY A 101 5.542 -30.756 1.616 1.00 0.00 O ATOM 0 H GLY A 101 6.037 -26.865 2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.161 -28.763 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.674 -29.510 3.743 1.00 0.00 H new ATOM 1572 N GLN A 102 3.979 -29.218 2.139 1.00 0.00 N ATOM 1573 CA GLN A 102 2.926 -29.900 1.393 1.00 0.00 C ATOM 1574 C GLN A 102 3.035 -29.522 -0.085 1.00 0.00 C ATOM 1575 O GLN A 102 3.514 -28.434 -0.424 1.00 0.00 O ATOM 1576 CB GLN A 102 1.534 -29.610 1.983 1.00 0.00 C ATOM 1577 CG GLN A 102 0.946 -28.242 1.604 1.00 0.00 C ATOM 1578 CD GLN A 102 -0.372 -27.921 2.308 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -0.971 -28.739 3.002 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -0.865 -26.706 2.128 1.00 0.00 N ATOM 0 H GLN A 102 3.679 -28.370 2.620 1.00 0.00 H new ATOM 0 HA GLN A 102 3.059 -30.978 1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.846 -30.389 1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.594 -29.675 3.069 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.673 -27.466 1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.788 -28.211 0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.362 -26.032 1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.748 -26.444 2.567 1.00 0.00 H new ATOM 1589 N GLU A 103 2.546 -30.394 -0.958 1.00 0.00 N ATOM 1590 CA GLU A 103 2.522 -30.193 -2.393 1.00 0.00 C ATOM 1591 C GLU A 103 1.105 -29.825 -2.822 1.00 0.00 C ATOM 1592 O GLU A 103 0.123 -30.223 -2.185 1.00 0.00 O ATOM 1593 CB GLU A 103 2.992 -31.458 -3.148 1.00 0.00 C ATOM 1594 CG GLU A 103 4.096 -32.298 -2.475 1.00 0.00 C ATOM 1595 CD GLU A 103 3.540 -33.433 -1.585 1.00 0.00 C ATOM 1596 OE1 GLU A 103 2.760 -33.171 -0.641 1.00 0.00 O ATOM 1597 OE2 GLU A 103 3.892 -34.612 -1.823 1.00 0.00 O ATOM 0 H GLU A 103 2.144 -31.287 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 103 3.209 -29.385 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.126 -32.100 -3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.349 -31.154 -4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.736 -32.729 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.723 -31.644 -1.869 1.00 0.00 H new ATOM 1604 N VAL A 104 1.002 -29.110 -3.937 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.242 -28.732 -4.572 1.00 0.00 C ATOM 1606 C VAL A 104 -0.081 -28.934 -6.077 1.00 0.00 C ATOM 1607 O VAL A 104 0.999 -28.727 -6.632 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.583 -27.276 -4.220 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -1.079 -27.130 -2.774 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.567 -26.285 -4.456 1.00 0.00 C ATOM 0 H VAL A 104 1.821 -28.767 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.069 -29.348 -4.219 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.385 -27.019 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.307 -26.084 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.978 -27.731 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.304 -27.472 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.244 -25.281 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.423 -26.569 -3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.851 -26.301 -5.508 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.157 -29.324 -6.758 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.111 -29.737 -8.162 1.00 0.00 C ATOM 1622 C LEU A 105 -1.717 -28.647 -9.042 1.00 0.00 C ATOM 1623 O LEU A 105 -2.601 -28.867 -9.874 1.00 0.00 O ATOM 1624 CB LEU A 105 -1.806 -31.080 -8.353 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.211 -32.265 -7.566 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -1.981 -33.545 -7.911 1.00 0.00 C ATOM 1627 CD2 LEU A 105 0.283 -32.477 -7.850 1.00 0.00 C ATOM 0 H LEU A 105 -2.091 -29.363 -6.350 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.072 -29.872 -8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.852 -30.969 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.789 -31.328 -9.414 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.309 -32.030 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.561 -34.383 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.030 -33.422 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.900 -33.742 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.647 -33.324 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.427 -32.677 -8.912 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.837 -31.581 -7.571 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.237 -27.445 -8.782 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.432 -26.256 -9.591 1.00 0.00 C ATOM 1641 C TYR A 106 -0.084 -25.552 -9.712 1.00 0.00 C ATOM 1642 O TYR A 106 0.756 -25.630 -8.812 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.528 -25.348 -9.012 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.367 -24.890 -7.566 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.361 -23.971 -7.204 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.275 -25.344 -6.589 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.260 -23.513 -5.877 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.191 -24.877 -5.265 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.184 -23.955 -4.903 1.00 0.00 C ATOM 1650 OH TYR A 106 -2.113 -23.503 -3.621 1.00 0.00 O ATOM 0 H TYR A 106 -0.669 -27.262 -7.955 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.786 -26.527 -10.585 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.597 -24.460 -9.641 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.480 -25.873 -9.095 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.664 -23.617 -7.949 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.041 -26.056 -6.859 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.476 -22.823 -5.603 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.897 -25.224 -4.525 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.828 -23.912 -3.090 1.00 0.00 H new ATOM 1660 N LYS A 107 0.138 -24.887 -10.845 1.00 0.00 N ATOM 1661 CA LYS A 107 1.375 -24.196 -11.145 1.00 0.00 C ATOM 1662 C LYS A 107 1.561 -22.949 -10.280 1.00 0.00 C ATOM 1663 O LYS A 107 0.598 -22.411 -9.728 1.00 0.00 O ATOM 1664 CB LYS A 107 1.300 -23.750 -12.616 1.00 0.00 C ATOM 1665 CG LYS A 107 2.659 -23.924 -13.290 1.00 0.00 C ATOM 1666 CD LYS A 107 2.757 -23.346 -14.712 1.00 0.00 C ATOM 1667 CE LYS A 107 1.660 -23.757 -15.708 1.00 0.00 C ATOM 1668 NZ LYS A 107 1.522 -25.223 -15.883 1.00 0.00 N ATOM 0 H LYS A 107 -0.555 -24.817 -11.590 1.00 0.00 H new ATOM 0 HA LYS A 107 2.211 -24.868 -10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.547 -24.336 -13.143 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.989 -22.707 -12.672 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.419 -23.451 -12.668 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.895 -24.987 -13.329 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.757 -22.259 -14.637 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.721 -23.636 -15.130 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.707 -23.350 -15.371 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.875 -23.305 -16.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 0.765 -25.421 -16.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.418 -25.617 -16.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 1.286 -25.661 -14.970 1.00 0.00 H new ATOM 1682 N LEU A 108 2.786 -22.426 -10.262 1.00 0.00 N ATOM 1683 CA LEU A 108 3.067 -21.109 -9.714 1.00 0.00 C ATOM 1684 C LEU A 108 2.396 -20.092 -10.636 1.00 0.00 C ATOM 1685 O LEU A 108 2.750 -20.001 -11.814 1.00 0.00 O ATOM 1686 CB LEU A 108 4.582 -20.800 -9.665 1.00 0.00 C ATOM 1687 CG LEU A 108 5.451 -21.578 -8.663 1.00 0.00 C ATOM 1688 CD1 LEU A 108 4.867 -21.531 -7.249 1.00 0.00 C ATOM 1689 CD2 LEU A 108 5.701 -23.026 -9.100 1.00 0.00 C ATOM 0 H LEU A 108 3.608 -22.906 -10.628 1.00 0.00 H new ATOM 0 HA LEU A 108 2.693 -21.065 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.989 -20.971 -10.662 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.698 -19.737 -9.451 1.00 0.00 H new ATOM 0 HG LEU A 108 6.418 -21.075 -8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.510 -22.092 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.804 -20.495 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.870 -21.972 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.320 -23.529 -8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.748 -23.548 -9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.213 -23.032 -10.062 1.00 0.00 H new ATOM 1701 N THR A 109 1.461 -19.318 -10.099 1.00 0.00 N ATOM 1702 CA THR A 109 0.898 -18.139 -10.740 1.00 0.00 C ATOM 1703 C THR A 109 0.736 -17.097 -9.636 1.00 0.00 C ATOM 1704 O THR A 109 0.592 -17.452 -8.458 1.00 0.00 O ATOM 1705 CB THR A 109 -0.446 -18.433 -11.442 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.431 -18.821 -10.509 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.350 -19.520 -12.516 1.00 0.00 C ATOM 0 H THR A 109 1.063 -19.500 -9.178 1.00 0.00 H new ATOM 0 HA THR A 109 1.557 -17.784 -11.532 1.00 0.00 H new ATOM 0 HB THR A 109 -0.722 -17.498 -11.929 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.226 -18.259 -10.620 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.330 -19.674 -12.967 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.358 -19.210 -13.285 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.009 -20.451 -12.062 1.00 0.00 H new ATOM 1715 N SER A 110 0.724 -15.817 -10.006 1.00 0.00 N ATOM 1716 CA SER A 110 0.472 -14.731 -9.072 1.00 0.00 C ATOM 1717 C SER A 110 -0.853 -14.960 -8.334 1.00 0.00 C ATOM 1718 O SER A 110 -0.925 -14.761 -7.121 1.00 0.00 O ATOM 1719 CB SER A 110 0.468 -13.415 -9.861 1.00 0.00 C ATOM 1720 OG SER A 110 1.608 -13.336 -10.695 1.00 0.00 O ATOM 0 H SER A 110 0.889 -15.508 -10.964 1.00 0.00 H new ATOM 0 HA SER A 110 1.252 -14.688 -8.312 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.437 -13.348 -10.465 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.455 -12.571 -9.172 1.00 0.00 H new ATOM 0 HG SER A 110 2.344 -12.915 -10.204 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.879 -15.438 -9.047 1.00 0.00 N ATOM 1727 CA GLU A 111 -3.205 -15.674 -8.489 1.00 0.00 C ATOM 1728 C GLU A 111 -3.187 -16.850 -7.510 1.00 0.00 C ATOM 1729 O GLU A 111 -3.782 -16.751 -6.437 1.00 0.00 O ATOM 1730 CB GLU A 111 -4.215 -15.940 -9.617 1.00 0.00 C ATOM 1731 CG GLU A 111 -4.425 -14.712 -10.516 1.00 0.00 C ATOM 1732 CD GLU A 111 -5.491 -14.978 -11.594 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -6.695 -14.746 -11.340 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -5.137 -15.401 -12.719 1.00 0.00 O ATOM 0 H GLU A 111 -1.806 -15.673 -10.037 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.508 -14.781 -7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.866 -16.776 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.170 -16.237 -9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.727 -13.861 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.482 -14.444 -10.993 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.501 -17.951 -7.837 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.481 -19.129 -6.968 1.00 0.00 C ATOM 1743 C ASN A 112 -1.738 -18.821 -5.673 1.00 0.00 C ATOM 1744 O ASN A 112 -2.162 -19.257 -4.601 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.826 -20.333 -7.665 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.741 -21.038 -8.667 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -3.966 -20.973 -8.582 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.176 -21.737 -9.638 1.00 0.00 N ATOM 0 H ASN A 112 -1.955 -18.049 -8.693 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.516 -19.386 -6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.927 -19.997 -8.182 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.509 -21.051 -6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.757 -22.225 -10.320 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.159 -21.788 -9.705 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.641 -18.064 -5.758 1.00 0.00 N ATOM 1756 CA CYS A 113 0.131 -17.708 -4.578 1.00 0.00 C ATOM 1757 C CYS A 113 -0.660 -16.725 -3.714 1.00 0.00 C ATOM 1758 O CYS A 113 -0.732 -16.924 -2.502 1.00 0.00 O ATOM 1759 CB CYS A 113 1.495 -17.145 -4.985 1.00 0.00 C ATOM 1760 SG CYS A 113 2.356 -18.366 -6.023 1.00 0.00 S ATOM 0 H CYS A 113 -0.273 -17.689 -6.632 1.00 0.00 H new ATOM 0 HA CYS A 113 0.314 -18.601 -3.981 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.368 -16.210 -5.531 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.088 -16.919 -4.099 1.00 0.00 H new ATOM 0 HG CYS A 113 1.883 -18.318 -7.233 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.291 -15.713 -4.326 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.151 -14.758 -3.628 1.00 0.00 C ATOM 1768 C GLU A 114 -3.262 -15.503 -2.888 1.00 0.00 C ATOM 1769 O GLU A 114 -3.510 -15.232 -1.711 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.752 -13.761 -4.636 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.642 -12.699 -3.973 1.00 0.00 C ATOM 1772 CD GLU A 114 -4.290 -11.770 -5.014 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -5.194 -12.219 -5.756 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -3.941 -10.570 -5.067 1.00 0.00 O ATOM 0 H GLU A 114 -1.216 -15.536 -5.328 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.557 -14.205 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.944 -13.265 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.338 -14.308 -5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.420 -13.190 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.046 -12.107 -3.278 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.911 -16.454 -3.571 1.00 0.00 N ATOM 1782 CA HIS A 115 -5.012 -17.230 -3.030 1.00 0.00 C ATOM 1783 C HIS A 115 -4.548 -17.946 -1.771 1.00 0.00 C ATOM 1784 O HIS A 115 -5.143 -17.746 -0.714 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.531 -18.214 -4.090 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.565 -19.180 -3.566 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.950 -18.987 -3.598 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.299 -20.393 -2.997 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.482 -20.085 -3.032 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.515 -20.944 -2.663 1.00 0.00 N ATOM 0 H HIS A 115 -3.675 -16.703 -4.531 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.839 -16.573 -2.762 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.960 -17.650 -4.918 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.690 -18.779 -4.492 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.325 -20.833 -2.840 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.540 -20.254 -2.893 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.658 -21.848 -2.213 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.460 -18.720 -1.858 1.00 0.00 N ATOM 1799 CA PHE A 116 -2.988 -19.499 -0.728 1.00 0.00 C ATOM 1800 C PHE A 116 -2.694 -18.612 0.473 1.00 0.00 C ATOM 1801 O PHE A 116 -3.214 -18.870 1.556 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.750 -20.307 -1.134 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.965 -20.882 0.038 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.288 -22.143 0.574 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.098 -20.145 0.597 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.549 -22.657 1.657 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.818 -20.642 1.695 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.502 -21.908 2.217 1.00 0.00 C ATOM 0 H PHE A 116 -2.896 -18.818 -2.702 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.776 -20.191 -0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.061 -21.125 -1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.090 -19.668 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.102 -22.716 0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.362 -19.186 0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.790 -23.630 2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.610 -20.055 2.136 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.066 -22.306 3.048 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.893 -17.558 0.306 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.499 -16.758 1.464 1.00 0.00 C ATOM 1820 C VAL A 117 -2.726 -16.084 2.094 1.00 0.00 C ATOM 1821 O VAL A 117 -2.781 -15.937 3.316 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.358 -15.776 1.141 1.00 0.00 C ATOM 1823 CG1 VAL A 117 0.898 -16.499 0.633 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.733 -14.672 0.146 1.00 0.00 C ATOM 0 H VAL A 117 -1.515 -17.247 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.083 -17.430 2.215 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.150 -15.294 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.677 -15.767 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.252 -17.192 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.658 -17.051 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.129 -14.027 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.041 -15.122 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.555 -14.081 0.551 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.744 -15.739 1.295 1.00 0.00 N ATOM 1835 CA ASN A 118 -4.985 -15.176 1.816 1.00 0.00 C ATOM 1836 C ASN A 118 -5.772 -16.202 2.623 1.00 0.00 C ATOM 1837 O ASN A 118 -6.463 -15.805 3.560 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.854 -14.576 0.699 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.455 -13.139 0.402 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -6.092 -12.204 0.867 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.373 -12.928 -0.325 1.00 0.00 N ATOM 0 H ASN A 118 -3.727 -15.843 0.280 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.705 -14.365 2.488 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.755 -15.178 -0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.903 -14.611 0.992 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.058 -11.975 -0.506 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.852 -13.718 -0.706 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.647 -17.501 2.335 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.209 -18.528 3.208 1.00 0.00 C ATOM 1850 C GLU A 119 -5.512 -18.488 4.566 1.00 0.00 C ATOM 1851 O GLU A 119 -6.181 -18.566 5.593 1.00 0.00 O ATOM 1852 CB GLU A 119 -6.123 -19.951 2.624 1.00 0.00 C ATOM 1853 CG GLU A 119 -6.779 -20.132 1.250 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.832 -21.615 0.841 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -5.812 -22.165 0.369 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -7.907 -22.242 0.978 1.00 0.00 O ATOM 0 H GLU A 119 -5.166 -17.861 1.511 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.270 -18.298 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.073 -20.233 2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -6.588 -20.643 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.789 -19.723 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.222 -19.567 0.503 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.186 -18.343 4.609 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.465 -18.355 5.879 1.00 0.00 C ATOM 1865 C LEU A 120 -3.775 -17.090 6.680 1.00 0.00 C ATOM 1866 O LEU A 120 -3.947 -17.177 7.893 1.00 0.00 O ATOM 1867 CB LEU A 120 -1.947 -18.511 5.689 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.454 -19.938 5.397 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -2.127 -20.621 4.207 1.00 0.00 C ATOM 1870 CD2 LEU A 120 0.052 -19.886 5.129 1.00 0.00 C ATOM 0 H LEU A 120 -3.596 -18.217 3.786 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.810 -19.226 6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.634 -17.864 4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.448 -18.151 6.589 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.710 -20.530 6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.714 -21.622 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.200 -20.692 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.948 -20.038 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.419 -20.891 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.247 -19.242 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.564 -19.488 6.005 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.857 -15.924 6.026 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.090 -14.654 6.713 1.00 0.00 C ATOM 1884 C ARG A 121 -5.550 -14.483 7.131 1.00 0.00 C ATOM 1885 O ARG A 121 -5.796 -14.003 8.236 1.00 0.00 O ATOM 1886 CB ARG A 121 -3.606 -13.491 5.825 1.00 0.00 C ATOM 1887 CG ARG A 121 -3.751 -12.092 6.452 1.00 0.00 C ATOM 1888 CD ARG A 121 -3.136 -11.991 7.851 1.00 0.00 C ATOM 1889 NE ARG A 121 -2.530 -10.678 8.136 1.00 0.00 N ATOM 1890 CZ ARG A 121 -3.156 -9.594 8.614 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -4.477 -9.566 8.762 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -2.478 -8.509 8.969 1.00 0.00 N ATOM 0 H ARG A 121 -3.764 -15.838 5.014 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.513 -14.652 7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.557 -13.655 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.163 -13.513 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.277 -11.358 5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.808 -11.834 6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.908 -12.194 8.593 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.376 -12.764 7.961 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.531 -10.585 7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -5.036 -10.381 8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.932 -8.729 9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.462 -8.491 8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.973 -7.694 9.331 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.505 -14.872 6.282 1.00 0.00 N ATOM 1907 CA TYR A 122 -7.930 -14.564 6.479 1.00 0.00 C ATOM 1908 C TYR A 122 -8.819 -15.816 6.527 1.00 0.00 C ATOM 1909 O TYR A 122 -10.040 -15.715 6.397 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.422 -13.577 5.402 1.00 0.00 C ATOM 1911 CG TYR A 122 -7.588 -12.320 5.237 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -7.657 -11.288 6.193 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -6.751 -12.181 4.116 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -6.864 -10.134 6.046 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -5.959 -11.030 3.961 1.00 0.00 C ATOM 1916 CZ TYR A 122 -5.997 -10.014 4.936 1.00 0.00 C ATOM 1917 OH TYR A 122 -5.170 -8.940 4.811 1.00 0.00 O ATOM 0 H TYR A 122 -6.315 -15.410 5.437 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.017 -14.094 7.459 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.456 -14.098 4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.444 -13.285 5.642 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -8.320 -11.382 7.041 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -6.716 -12.962 3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -6.918 -9.343 6.779 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -5.322 -10.925 3.095 1.00 0.00 H new ATOM 0 HH TYR A 122 -4.360 -9.205 4.327 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.244 -17.004 6.707 1.00 0.00 N ATOM 1928 CA GLY A 123 -8.982 -18.256 6.871 1.00 0.00 C ATOM 1929 C GLY A 123 -9.222 -18.913 5.517 1.00 0.00 C ATOM 1930 O GLY A 123 -8.826 -20.062 5.306 1.00 0.00 O ATOM 0 H GLY A 123 -7.232 -17.126 6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.423 -18.933 7.517 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.935 -18.062 7.362 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.783 -18.161 4.573 1.00 0.00 N ATOM 1935 CA VAL A 124 -9.966 -18.562 3.186 1.00 0.00 C ATOM 1936 C VAL A 124 -9.917 -17.281 2.339 1.00 0.00 C ATOM 1937 O VAL A 124 -10.382 -16.230 2.793 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.271 -19.383 3.052 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.548 -18.600 3.395 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -11.401 -20.014 1.660 1.00 0.00 C ATOM 0 H VAL A 124 -10.134 -17.222 4.763 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.180 -19.225 2.825 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.180 -20.170 3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.416 -19.249 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.495 -18.252 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.640 -17.744 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.329 -20.583 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.410 -19.229 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -10.556 -20.680 1.482 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.321 -17.346 1.142 1.00 0.00 N ATOM 1951 CA ALA A 125 -9.354 -16.235 0.197 1.00 0.00 C ATOM 1952 C ALA A 125 -10.800 -15.862 -0.142 1.00 0.00 C ATOM 1953 O ALA A 125 -11.616 -16.770 -0.410 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.576 -16.591 -1.070 1.00 0.00 C ATOM 1955 OXT ALA A 125 -11.109 -14.653 -0.182 1.00 0.00 O ATOM 0 H ALA A 125 -8.809 -18.163 0.809 1.00 0.00 H new ATOM 0 HA ALA A 125 -8.879 -15.370 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.610 -15.752 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.539 -16.807 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.024 -17.468 -1.537 1.00 0.00 H new