USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 753 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 101 ASN : amide:sc= 0.402 K(o=-0.48,f=-12!) USER MOD Set 1.2: A 104 ASN : amide:sc= -0.884 X(o=-0.48,f=-0.4) USER MOD Set 2.1: A 18 HIS :FLIP no HD1:sc= 0.125 F(o=-0.55,f=0.36) USER MOD Set 2.2: A 81 TYR OH : rot -117:sc= 0.236 USER MOD Set 3.1: A 29 LYS NZ :NH3+ 161:sc= 1.3 (180deg=1.03) USER MOD Set 3.2: A 38 TYR OH : rot -38:sc= 1.18 USER MOD Single : A 14 CYS SG : rot -141:sc= -1.51 USER MOD Single : A 22 MET CE :methyl -128:sc= -2.21! (180deg=-3.51!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 73:sc= 0.998 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 148:sc= -0.552 (180deg=-1.86!) USER MOD Single : A 39 THR OG1 : rot 25:sc= -0.139 USER MOD Single : A 40 SER OG : rot -158:sc= -2.93! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 1.22 K(o=1.2,f=-0.0028) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.22) USER MOD Single : A 76 CYS SG : rot 56:sc= -6.02! USER MOD Single : A 80 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-1.7) USER MOD Single : A 82 GLN : amide:sc= 0.647 K(o=0.65,f=-0.065) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 85:sc= 0.168 USER MOD Single : A 87 SER OG : rot 180:sc= 0.00394 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot -151:sc= 0.574 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.341) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.0466 F(o=-2!,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 97 N GLU A 7 -6.287 14.277 3.855 1.00 0.00 N ATOM 98 CA GLU A 7 -6.160 13.200 4.839 1.00 0.00 C ATOM 99 C GLU A 7 -5.310 12.066 4.304 1.00 0.00 C ATOM 100 O GLU A 7 -4.789 11.246 5.059 1.00 0.00 O ATOM 101 CB GLU A 7 -7.535 12.682 5.208 1.00 0.00 C ATOM 102 CG GLU A 7 -8.535 13.798 5.359 1.00 0.00 C ATOM 103 CD GLU A 7 -8.296 14.620 6.609 1.00 0.00 C ATOM 104 OE1 GLU A 7 -7.494 15.577 6.553 1.00 0.00 O ATOM 105 OE2 GLU A 7 -8.892 14.306 7.658 1.00 0.00 O ATOM 0 HA GLU A 7 -5.669 13.602 5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.879 11.988 4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.473 12.121 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.486 14.447 4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.541 13.380 5.389 1.00 0.00 H new ATOM 112 N PHE A 8 -5.140 12.060 2.999 1.00 0.00 N ATOM 113 CA PHE A 8 -4.376 11.039 2.337 1.00 0.00 C ATOM 114 C PHE A 8 -3.142 11.741 1.894 1.00 0.00 C ATOM 115 O PHE A 8 -2.989 12.099 0.733 1.00 0.00 O ATOM 116 CB PHE A 8 -5.067 10.415 1.103 1.00 0.00 C ATOM 117 CG PHE A 8 -6.571 10.251 1.132 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.359 10.753 2.152 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.196 9.613 0.078 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.723 10.635 2.114 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.567 9.481 0.039 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.331 9.996 1.059 1.00 0.00 C ATOM 0 H PHE A 8 -5.530 12.765 2.373 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.216 10.203 3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.815 11.026 0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.628 9.431 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.891 11.246 2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.600 9.211 -0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.322 11.044 2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.039 8.975 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.406 9.899 1.032 1.00 0.00 H new ATOM 132 N ALA A 9 -2.298 12.019 2.843 1.00 0.00 N ATOM 133 CA ALA A 9 -1.120 12.744 2.566 1.00 0.00 C ATOM 134 C ALA A 9 0.002 12.319 3.481 1.00 0.00 C ATOM 135 O ALA A 9 0.018 11.201 4.003 1.00 0.00 O ATOM 136 CB ALA A 9 -1.424 14.230 2.687 1.00 0.00 C ATOM 0 H ALA A 9 -2.416 11.747 3.819 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.785 12.536 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.522 14.804 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.203 14.501 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.766 14.450 3.698 1.00 0.00 H new ATOM 142 N LEU A 10 0.904 13.238 3.685 1.00 0.00 N ATOM 143 CA LEU A 10 2.104 13.007 4.473 1.00 0.00 C ATOM 144 C LEU A 10 1.805 12.604 5.918 1.00 0.00 C ATOM 145 O LEU A 10 1.427 13.436 6.748 1.00 0.00 O ATOM 146 CB LEU A 10 2.974 14.253 4.445 1.00 0.00 C ATOM 147 CG LEU A 10 3.913 14.380 3.235 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.206 15.075 2.082 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.173 15.140 3.624 1.00 0.00 C ATOM 0 H LEU A 10 0.835 14.183 3.308 1.00 0.00 H new ATOM 0 HA LEU A 10 2.631 12.166 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.325 15.128 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.576 14.274 5.353 1.00 0.00 H new ATOM 0 HG LEU A 10 4.197 13.379 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.886 15.156 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.330 14.496 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.895 16.072 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.830 15.223 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.904 16.137 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.689 14.605 4.421 1.00 0.00 H new ATOM 161 N GLY A 11 1.973 11.314 6.201 1.00 0.00 N ATOM 162 CA GLY A 11 1.750 10.793 7.537 1.00 0.00 C ATOM 163 C GLY A 11 0.288 10.782 7.920 1.00 0.00 C ATOM 164 O GLY A 11 -0.051 10.798 9.104 1.00 0.00 O ATOM 0 H GLY A 11 2.263 10.614 5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.145 9.779 7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.305 11.396 8.255 1.00 0.00 H new ATOM 168 N GLY A 12 -0.576 10.751 6.918 1.00 0.00 N ATOM 169 CA GLY A 12 -1.997 10.735 7.172 1.00 0.00 C ATOM 170 C GLY A 12 -2.496 9.342 7.469 1.00 0.00 C ATOM 171 O GLY A 12 -1.955 8.358 6.953 1.00 0.00 O ATOM 0 H GLY A 12 -0.316 10.737 5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.224 11.390 8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.526 11.134 6.306 1.00 0.00 H new ATOM 175 N ARG A 13 -3.508 9.246 8.312 1.00 0.00 N ATOM 176 CA ARG A 13 -4.085 7.966 8.662 1.00 0.00 C ATOM 177 C ARG A 13 -5.270 7.715 7.750 1.00 0.00 C ATOM 178 O ARG A 13 -6.289 8.401 7.840 1.00 0.00 O ATOM 179 CB ARG A 13 -4.518 7.945 10.127 1.00 0.00 C ATOM 180 CG ARG A 13 -4.815 6.554 10.653 1.00 0.00 C ATOM 181 CD ARG A 13 -5.360 6.612 12.067 1.00 0.00 C ATOM 182 NE ARG A 13 -5.363 5.298 12.707 1.00 0.00 N ATOM 183 CZ ARG A 13 -5.251 5.107 14.019 1.00 0.00 C ATOM 184 NH1 ARG A 13 -5.140 6.145 14.843 1.00 0.00 N ATOM 185 NH2 ARG A 13 -5.248 3.875 14.505 1.00 0.00 N ATOM 0 H ARG A 13 -3.948 10.046 8.768 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.342 7.179 8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.733 8.394 10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.406 8.566 10.243 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.537 6.061 10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.906 5.953 10.634 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.759 7.302 12.659 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.375 7.008 12.048 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.457 4.476 12.111 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.140 7.094 14.470 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.054 5.992 15.848 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.331 3.078 13.874 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.162 3.723 15.510 1.00 0.00 H new ATOM 199 N CYS A 14 -5.128 6.753 6.862 1.00 0.00 N ATOM 200 CA CYS A 14 -6.180 6.446 5.914 1.00 0.00 C ATOM 201 C CYS A 14 -6.475 4.962 5.867 1.00 0.00 C ATOM 202 O CYS A 14 -5.787 4.149 6.486 1.00 0.00 O ATOM 203 CB CYS A 14 -5.788 6.939 4.523 1.00 0.00 C ATOM 204 SG CYS A 14 -6.047 8.706 4.282 1.00 0.00 S ATOM 0 H CYS A 14 -4.295 6.170 6.776 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.084 6.957 6.244 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.737 6.707 4.348 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.364 6.391 3.777 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.498 8.919 3.082 1.00 0.00 H new ATOM 210 N LEU A 15 -7.524 4.630 5.144 1.00 0.00 N ATOM 211 CA LEU A 15 -7.933 3.257 4.959 1.00 0.00 C ATOM 212 C LEU A 15 -7.538 2.842 3.561 1.00 0.00 C ATOM 213 O LEU A 15 -7.504 3.676 2.666 1.00 0.00 O ATOM 214 CB LEU A 15 -9.443 3.122 5.135 1.00 0.00 C ATOM 215 CG LEU A 15 -9.968 3.446 6.530 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.450 3.751 6.472 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.699 2.290 7.474 1.00 0.00 C ATOM 0 H LEU A 15 -8.118 5.309 4.667 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.450 2.619 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.936 3.778 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.732 2.101 4.884 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.447 4.327 6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.814 3.981 7.474 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.620 4.607 5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.985 2.885 6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.079 2.534 8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.199 1.395 7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.626 2.109 7.531 1.00 0.00 H new ATOM 229 N ALA A 16 -7.240 1.582 3.354 1.00 0.00 N ATOM 230 CA ALA A 16 -6.851 1.133 2.034 1.00 0.00 C ATOM 231 C ALA A 16 -7.356 -0.271 1.780 1.00 0.00 C ATOM 232 O ALA A 16 -7.435 -1.089 2.696 1.00 0.00 O ATOM 233 CB ALA A 16 -5.346 1.226 1.858 1.00 0.00 C ATOM 0 H ALA A 16 -7.258 0.856 4.070 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.309 1.789 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.075 0.884 0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.028 2.261 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.853 0.600 2.602 1.00 0.00 H new ATOM 239 N PHE A 17 -7.704 -0.538 0.535 1.00 0.00 N ATOM 240 CA PHE A 17 -8.242 -1.825 0.164 1.00 0.00 C ATOM 241 C PHE A 17 -7.160 -2.837 -0.162 1.00 0.00 C ATOM 242 O PHE A 17 -6.491 -2.755 -1.199 1.00 0.00 O ATOM 243 CB PHE A 17 -9.200 -1.682 -1.017 1.00 0.00 C ATOM 244 CG PHE A 17 -10.580 -1.254 -0.612 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.110 -0.059 -1.066 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.349 -2.051 0.219 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.383 0.332 -0.701 1.00 0.00 C ATOM 248 CE2 PHE A 17 -12.622 -1.664 0.590 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.140 -0.472 0.129 1.00 0.00 C ATOM 0 H PHE A 17 -7.622 0.125 -0.236 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.786 -2.202 1.030 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.793 -0.955 -1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.262 -2.635 -1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.522 0.575 -1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.949 -2.986 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.787 1.266 -1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.211 -2.294 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.136 -0.168 0.416 1.00 0.00 H new ATOM 259 N HIS A 18 -6.978 -3.772 0.750 1.00 0.00 N ATOM 260 CA HIS A 18 -6.037 -4.854 0.568 1.00 0.00 C ATOM 261 C HIS A 18 -6.854 -6.117 0.461 1.00 0.00 C ATOM 262 O HIS A 18 -7.443 -6.577 1.445 1.00 0.00 O ATOM 263 CB HIS A 18 -5.033 -4.953 1.720 1.00 0.00 C ATOM 264 CG HIS A 18 -3.810 -5.736 1.353 1.00 0.00 C ATOM 265 ND1 HIS A 18 -2.700 -5.321 0.705 1.00 0.00 N flip ATOM 266 CD2 HIS A 18 -3.692 -7.077 1.628 1.00 0.00 C flip ATOM 267 CE1 HIS A 18 -1.881 -6.412 0.566 1.00 0.00 C flip ATOM 268 NE2 HIS A 18 -2.521 -7.446 1.133 1.00 0.00 N flip ATOM 0 H HIS A 18 -7.480 -3.801 1.638 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.441 -4.683 -0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.739 -3.950 2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.515 -5.421 2.578 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.407 -7.702 2.142 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.911 -6.435 0.093 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.152 -8.396 1.177 1.00 0.00 H new ATOM 276 N GLY A 19 -6.940 -6.647 -0.742 1.00 0.00 N ATOM 277 CA GLY A 19 -7.741 -7.821 -0.953 1.00 0.00 C ATOM 278 C GLY A 19 -9.210 -7.456 -0.897 1.00 0.00 C ATOM 279 O GLY A 19 -9.674 -6.635 -1.690 1.00 0.00 O ATOM 0 H GLY A 19 -6.471 -6.286 -1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.504 -8.265 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.513 -8.569 -0.194 1.00 0.00 H new ATOM 283 N PRO A 20 -9.972 -8.040 0.032 1.00 0.00 N ATOM 284 CA PRO A 20 -11.381 -7.749 0.193 1.00 0.00 C ATOM 285 C PRO A 20 -11.693 -6.779 1.331 1.00 0.00 C ATOM 286 O PRO A 20 -12.856 -6.426 1.527 1.00 0.00 O ATOM 287 CB PRO A 20 -11.958 -9.121 0.539 1.00 0.00 C ATOM 288 CG PRO A 20 -10.807 -9.937 1.073 1.00 0.00 C ATOM 289 CD PRO A 20 -9.559 -9.095 0.955 1.00 0.00 C ATOM 0 HA PRO A 20 -11.786 -7.269 -0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.751 -9.034 1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.395 -9.593 -0.341 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.984 -10.216 2.112 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.699 -10.863 0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.250 -8.692 1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.718 -9.669 0.565 1.00 0.00 H new ATOM 297 N LEU A 21 -10.686 -6.331 2.079 1.00 0.00 N ATOM 298 CA LEU A 21 -10.965 -5.459 3.214 1.00 0.00 C ATOM 299 C LEU A 21 -10.237 -4.128 3.197 1.00 0.00 C ATOM 300 O LEU A 21 -9.275 -3.912 2.462 1.00 0.00 O ATOM 301 CB LEU A 21 -10.653 -6.182 4.523 1.00 0.00 C ATOM 302 CG LEU A 21 -11.729 -7.152 4.996 1.00 0.00 C ATOM 303 CD1 LEU A 21 -11.672 -7.322 6.497 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.100 -6.662 4.596 1.00 0.00 C ATOM 0 H LEU A 21 -9.701 -6.549 1.926 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.026 -5.224 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.718 -6.730 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.489 -5.437 5.302 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.542 -8.116 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.448 -8.018 6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.695 -7.713 6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.831 -6.357 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.854 -7.368 4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.283 -5.686 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.154 -6.578 3.511 1.00 0.00 H new ATOM 316 N MET A 22 -10.752 -3.243 4.044 1.00 0.00 N ATOM 317 CA MET A 22 -10.216 -1.911 4.238 1.00 0.00 C ATOM 318 C MET A 22 -9.340 -1.910 5.481 1.00 0.00 C ATOM 319 O MET A 22 -9.826 -2.126 6.589 1.00 0.00 O ATOM 320 CB MET A 22 -11.356 -0.897 4.410 1.00 0.00 C ATOM 321 CG MET A 22 -11.178 0.343 3.552 1.00 0.00 C ATOM 322 SD MET A 22 -12.456 1.583 3.845 1.00 0.00 S ATOM 323 CE MET A 22 -13.922 0.713 3.294 1.00 0.00 C ATOM 0 H MET A 22 -11.568 -3.440 4.623 1.00 0.00 H new ATOM 0 HA MET A 22 -9.628 -1.628 3.365 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.302 -1.375 4.157 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.418 -0.602 5.457 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.200 0.781 3.752 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.190 0.057 2.500 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.464 1.330 2.577 1.00 0.00 H new ATOM 0 HE2 MET A 22 -13.632 -0.224 2.819 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.564 0.503 4.150 1.00 0.00 H new ATOM 333 N TYR A 23 -8.054 -1.696 5.299 1.00 0.00 N ATOM 334 CA TYR A 23 -7.130 -1.676 6.421 1.00 0.00 C ATOM 335 C TYR A 23 -6.595 -0.272 6.645 1.00 0.00 C ATOM 336 O TYR A 23 -6.282 0.436 5.692 1.00 0.00 O ATOM 337 CB TYR A 23 -5.970 -2.648 6.186 1.00 0.00 C ATOM 338 CG TYR A 23 -6.352 -4.102 6.346 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.402 -4.694 7.604 1.00 0.00 C ATOM 340 CD2 TYR A 23 -6.662 -4.886 5.239 1.00 0.00 C ATOM 341 CE1 TYR A 23 -6.749 -6.023 7.754 1.00 0.00 C ATOM 342 CE2 TYR A 23 -7.011 -6.215 5.383 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.053 -6.778 6.640 1.00 0.00 C ATOM 344 OH TYR A 23 -7.394 -8.103 6.782 1.00 0.00 O ATOM 0 H TYR A 23 -7.622 -1.534 4.389 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.673 -1.992 7.312 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.576 -2.494 5.181 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.165 -2.414 6.883 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.166 -4.105 8.478 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.629 -4.449 4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.782 -6.468 8.737 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.250 -6.810 4.514 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.579 -8.489 5.901 1.00 0.00 H new ATOM 354 N GLU A 24 -6.512 0.140 7.904 1.00 0.00 N ATOM 355 CA GLU A 24 -6.001 1.458 8.226 1.00 0.00 C ATOM 356 C GLU A 24 -4.482 1.429 8.195 1.00 0.00 C ATOM 357 O GLU A 24 -3.860 0.475 8.664 1.00 0.00 O ATOM 358 CB GLU A 24 -6.507 1.944 9.588 1.00 0.00 C ATOM 359 CG GLU A 24 -6.233 0.987 10.737 1.00 0.00 C ATOM 360 CD GLU A 24 -6.310 1.671 12.086 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.431 1.849 12.612 1.00 0.00 O ATOM 362 OE2 GLU A 24 -5.248 2.048 12.620 1.00 0.00 O ATOM 0 H GLU A 24 -6.791 -0.418 8.711 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.367 2.163 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.043 2.905 9.813 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.581 2.116 9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.953 0.169 10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.244 0.546 10.612 1.00 0.00 H new ATOM 369 N ALA A 25 -3.887 2.455 7.622 1.00 0.00 N ATOM 370 CA ALA A 25 -2.447 2.519 7.523 1.00 0.00 C ATOM 371 C ALA A 25 -1.949 3.951 7.524 1.00 0.00 C ATOM 372 O ALA A 25 -2.696 4.884 7.221 1.00 0.00 O ATOM 373 CB ALA A 25 -1.986 1.812 6.266 1.00 0.00 C ATOM 0 H ALA A 25 -4.378 3.253 7.219 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.029 2.021 8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.899 1.864 6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.298 0.768 6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.428 2.294 5.394 1.00 0.00 H new ATOM 379 N LYS A 26 -0.683 4.113 7.877 1.00 0.00 N ATOM 380 CA LYS A 26 -0.061 5.424 7.901 1.00 0.00 C ATOM 381 C LYS A 26 0.646 5.653 6.574 1.00 0.00 C ATOM 382 O LYS A 26 1.523 4.876 6.189 1.00 0.00 O ATOM 383 CB LYS A 26 0.925 5.534 9.069 1.00 0.00 C ATOM 384 CG LYS A 26 1.553 6.910 9.215 1.00 0.00 C ATOM 385 CD LYS A 26 2.326 7.046 10.520 1.00 0.00 C ATOM 386 CE LYS A 26 3.028 8.388 10.610 1.00 0.00 C ATOM 387 NZ LYS A 26 3.038 8.920 12.000 1.00 0.00 N ATOM 0 H LYS A 26 -0.066 3.349 8.151 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.824 6.189 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.407 5.281 9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.716 4.796 8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.223 7.094 8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.774 7.671 9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.643 6.933 11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.060 6.244 10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.053 8.286 10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.532 9.102 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.527 9.838 12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.060 9.043 12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.534 8.252 12.624 1.00 0.00 H new ATOM 401 N ILE A 27 0.243 6.694 5.867 1.00 0.00 N ATOM 402 CA ILE A 27 0.836 6.999 4.578 1.00 0.00 C ATOM 403 C ILE A 27 2.234 7.549 4.746 1.00 0.00 C ATOM 404 O ILE A 27 2.440 8.583 5.380 1.00 0.00 O ATOM 405 CB ILE A 27 -0.030 7.979 3.763 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.496 7.550 3.829 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.452 8.020 2.322 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.471 8.573 3.299 1.00 0.00 C ATOM 0 H ILE A 27 -0.489 7.340 6.162 1.00 0.00 H new ATOM 0 HA ILE A 27 0.890 6.064 4.021 1.00 0.00 H new ATOM 0 HB ILE A 27 0.060 8.980 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.617 6.625 3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.750 7.327 4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.165 8.715 1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.490 8.350 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.376 7.024 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.486 8.186 3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.384 9.493 3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.248 8.780 2.252 1.00 0.00 H new ATOM 420 N LEU A 28 3.189 6.832 4.183 1.00 0.00 N ATOM 421 CA LEU A 28 4.578 7.216 4.263 1.00 0.00 C ATOM 422 C LEU A 28 4.996 8.030 3.050 1.00 0.00 C ATOM 423 O LEU A 28 5.576 9.101 3.186 1.00 0.00 O ATOM 424 CB LEU A 28 5.462 5.980 4.382 1.00 0.00 C ATOM 425 CG LEU A 28 6.416 6.004 5.566 1.00 0.00 C ATOM 426 CD1 LEU A 28 5.697 5.589 6.840 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.618 5.107 5.309 1.00 0.00 C ATOM 0 H LEU A 28 3.021 5.972 3.661 1.00 0.00 H new ATOM 0 HA LEU A 28 4.701 7.836 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.825 5.099 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.042 5.873 3.465 1.00 0.00 H new ATOM 0 HG LEU A 28 6.777 7.025 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.396 5.612 7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.875 6.278 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.304 4.579 6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.287 5.140 6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.280 4.083 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.149 5.455 4.423 1.00 0.00 H new ATOM 439 N LYS A 29 4.719 7.531 1.861 1.00 0.00 N ATOM 440 CA LYS A 29 5.099 8.261 0.667 1.00 0.00 C ATOM 441 C LYS A 29 3.875 8.691 -0.131 1.00 0.00 C ATOM 442 O LYS A 29 2.938 7.919 -0.311 1.00 0.00 O ATOM 443 CB LYS A 29 6.003 7.427 -0.251 1.00 0.00 C ATOM 444 CG LYS A 29 7.143 6.710 0.449 1.00 0.00 C ATOM 445 CD LYS A 29 8.046 6.025 -0.566 1.00 0.00 C ATOM 446 CE LYS A 29 9.250 5.384 0.098 1.00 0.00 C ATOM 447 NZ LYS A 29 10.327 5.063 -0.879 1.00 0.00 N ATOM 0 H LYS A 29 4.243 6.644 1.697 1.00 0.00 H new ATOM 0 HA LYS A 29 5.646 9.139 1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.390 6.687 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.421 8.081 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.722 7.422 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.744 5.972 1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.479 5.265 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.382 6.753 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.643 6.056 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.939 4.471 0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.227 4.935 -0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.087 4.187 -1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.420 5.842 -1.561 1.00 0.00 H new ATOM 461 N ILE A 30 3.894 9.922 -0.607 1.00 0.00 N ATOM 462 CA ILE A 30 2.808 10.449 -1.424 1.00 0.00 C ATOM 463 C ILE A 30 3.245 10.394 -2.867 1.00 0.00 C ATOM 464 O ILE A 30 4.357 10.767 -3.168 1.00 0.00 O ATOM 465 CB ILE A 30 2.456 11.907 -1.055 1.00 0.00 C ATOM 466 CG1 ILE A 30 2.294 12.063 0.457 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.193 12.355 -1.774 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.497 10.954 1.100 1.00 0.00 C ATOM 0 H ILE A 30 4.654 10.582 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 30 1.917 9.846 -1.251 1.00 0.00 H new ATOM 0 HB ILE A 30 3.280 12.543 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.281 12.103 0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.807 13.016 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.964 13.385 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.346 12.292 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.363 11.710 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.424 11.133 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.497 10.927 0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.994 10.000 0.924 1.00 0.00 H new ATOM 480 N TRP A 31 2.391 9.965 -3.767 1.00 0.00 N ATOM 481 CA TRP A 31 2.808 9.843 -5.148 1.00 0.00 C ATOM 482 C TRP A 31 2.116 10.825 -6.074 1.00 0.00 C ATOM 483 O TRP A 31 0.887 10.865 -6.138 1.00 0.00 O ATOM 484 CB TRP A 31 2.527 8.449 -5.657 1.00 0.00 C ATOM 485 CG TRP A 31 2.829 8.337 -7.102 1.00 0.00 C ATOM 486 CD1 TRP A 31 1.957 8.411 -8.135 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.107 8.195 -7.661 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.626 8.269 -9.321 1.00 0.00 N ATOM 489 CE2 TRP A 31 3.952 8.135 -9.051 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.370 8.095 -7.110 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.022 7.982 -9.901 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.437 7.944 -7.954 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.254 7.883 -9.339 1.00 0.00 C ATOM 0 H TRP A 31 1.425 9.700 -3.577 1.00 0.00 H new ATOM 0 HA TRP A 31 3.876 10.062 -5.155 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.126 7.728 -5.100 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.481 8.198 -5.481 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.892 8.560 -8.038 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.202 8.264 -10.249 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.512 8.135 -6.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.888 7.942 -10.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.434 7.871 -7.545 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.115 7.754 -9.978 1.00 0.00 H new ATOM 504 N ASP A 32 2.921 11.557 -6.834 1.00 0.00 N ATOM 505 CA ASP A 32 2.413 12.516 -7.801 1.00 0.00 C ATOM 506 C ASP A 32 2.632 11.980 -9.217 1.00 0.00 C ATOM 507 O ASP A 32 3.771 11.824 -9.662 1.00 0.00 O ATOM 508 CB ASP A 32 3.106 13.866 -7.635 1.00 0.00 C ATOM 509 CG ASP A 32 2.496 14.916 -8.536 1.00 0.00 C ATOM 510 OD1 ASP A 32 1.510 15.561 -8.110 1.00 0.00 O ATOM 511 OD2 ASP A 32 2.987 15.091 -9.670 1.00 0.00 O ATOM 0 H ASP A 32 3.939 11.502 -6.796 1.00 0.00 H new ATOM 0 HA ASP A 32 1.346 12.658 -7.630 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.032 14.189 -6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.167 13.762 -7.862 1.00 0.00 H new ATOM 516 N PRO A 33 1.538 11.711 -9.948 1.00 0.00 N ATOM 517 CA PRO A 33 1.597 11.146 -11.304 1.00 0.00 C ATOM 518 C PRO A 33 1.917 12.160 -12.400 1.00 0.00 C ATOM 519 O PRO A 33 2.023 11.802 -13.570 1.00 0.00 O ATOM 520 CB PRO A 33 0.182 10.612 -11.495 1.00 0.00 C ATOM 521 CG PRO A 33 -0.676 11.531 -10.700 1.00 0.00 C ATOM 522 CD PRO A 33 0.147 11.944 -9.512 1.00 0.00 C ATOM 0 HA PRO A 33 2.397 10.410 -11.388 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.104 10.613 -12.547 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.095 9.584 -11.143 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.971 12.398 -11.291 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.593 11.033 -10.385 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.021 12.989 -9.253 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.100 11.353 -8.630 1.00 0.00 H new ATOM 530 N SER A 34 2.078 13.412 -12.024 1.00 0.00 N ATOM 531 CA SER A 34 2.362 14.467 -12.991 1.00 0.00 C ATOM 532 C SER A 34 3.860 14.721 -13.090 1.00 0.00 C ATOM 533 O SER A 34 4.349 15.301 -14.062 1.00 0.00 O ATOM 534 CB SER A 34 1.637 15.755 -12.597 1.00 0.00 C ATOM 535 OG SER A 34 0.382 15.470 -11.993 1.00 0.00 O ATOM 0 H SER A 34 2.018 13.730 -11.057 1.00 0.00 H new ATOM 0 HA SER A 34 2.002 14.141 -13.967 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.255 16.328 -11.906 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.487 16.376 -13.480 1.00 0.00 H new ATOM 0 HG SER A 34 -0.061 16.309 -11.748 1.00 0.00 H new ATOM 541 N SER A 35 4.577 14.278 -12.076 1.00 0.00 N ATOM 542 CA SER A 35 6.013 14.456 -12.026 1.00 0.00 C ATOM 543 C SER A 35 6.694 13.097 -12.024 1.00 0.00 C ATOM 544 O SER A 35 7.813 12.942 -12.517 1.00 0.00 O ATOM 545 CB SER A 35 6.375 15.241 -10.771 1.00 0.00 C ATOM 546 OG SER A 35 5.415 16.252 -10.508 1.00 0.00 O ATOM 0 H SER A 35 4.185 13.789 -11.271 1.00 0.00 H new ATOM 0 HA SER A 35 6.352 15.011 -12.901 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.437 14.563 -9.919 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.360 15.692 -10.892 1.00 0.00 H new ATOM 0 HG SER A 35 4.590 15.841 -10.174 1.00 0.00 H new ATOM 552 N LYS A 36 6.008 12.132 -11.412 1.00 0.00 N ATOM 553 CA LYS A 36 6.457 10.756 -11.333 1.00 0.00 C ATOM 554 C LYS A 36 7.497 10.609 -10.248 1.00 0.00 C ATOM 555 O LYS A 36 8.419 9.792 -10.303 1.00 0.00 O ATOM 556 CB LYS A 36 6.941 10.217 -12.665 1.00 0.00 C ATOM 557 CG LYS A 36 6.939 8.709 -12.686 1.00 0.00 C ATOM 558 CD LYS A 36 7.432 8.165 -14.013 1.00 0.00 C ATOM 559 CE LYS A 36 7.932 6.739 -13.877 1.00 0.00 C ATOM 560 NZ LYS A 36 8.557 6.257 -15.137 1.00 0.00 N ATOM 0 H LYS A 36 5.112 12.294 -10.952 1.00 0.00 H new ATOM 0 HA LYS A 36 5.595 10.143 -11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.303 10.594 -13.464 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.949 10.583 -12.862 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.571 8.333 -11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.930 8.344 -12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.625 8.201 -14.745 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.234 8.798 -14.392 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.657 6.683 -13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.102 6.086 -13.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.888 5.279 -15.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.857 6.288 -15.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.364 6.866 -15.379 1.00 0.00 H new ATOM 574 N MET A 37 7.311 11.433 -9.263 1.00 0.00 N ATOM 575 CA MET A 37 8.088 11.452 -8.089 1.00 0.00 C ATOM 576 C MET A 37 7.098 11.269 -6.969 1.00 0.00 C ATOM 577 O MET A 37 5.886 11.330 -7.191 1.00 0.00 O ATOM 578 CB MET A 37 8.877 12.756 -7.957 1.00 0.00 C ATOM 579 CG MET A 37 8.085 13.996 -8.303 1.00 0.00 C ATOM 580 SD MET A 37 9.144 15.386 -8.752 1.00 0.00 S ATOM 581 CE MET A 37 10.095 14.677 -10.095 1.00 0.00 C ATOM 0 H MET A 37 6.575 12.139 -9.269 1.00 0.00 H new ATOM 0 HA MET A 37 8.846 10.668 -8.085 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.242 12.845 -6.934 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.753 12.705 -8.604 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.411 13.774 -9.130 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.464 14.276 -7.452 1.00 0.00 H new ATOM 0 HE1 MET A 37 10.343 15.456 -10.816 1.00 0.00 H new ATOM 0 HE2 MET A 37 11.013 14.242 -9.700 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.508 13.901 -10.587 1.00 0.00 H new ATOM 591 N TYR A 38 7.585 11.077 -5.793 1.00 0.00 N ATOM 592 CA TYR A 38 6.744 10.832 -4.668 1.00 0.00 C ATOM 593 C TYR A 38 7.358 11.547 -3.482 1.00 0.00 C ATOM 594 O TYR A 38 8.509 11.988 -3.556 1.00 0.00 O ATOM 595 CB TYR A 38 6.656 9.327 -4.398 1.00 0.00 C ATOM 596 CG TYR A 38 7.991 8.674 -4.141 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.683 8.032 -5.157 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.555 8.709 -2.881 1.00 0.00 C ATOM 599 CE1 TYR A 38 9.908 7.445 -4.915 1.00 0.00 C ATOM 600 CE2 TYR A 38 9.775 8.126 -2.630 1.00 0.00 C ATOM 601 CZ TYR A 38 10.449 7.495 -3.649 1.00 0.00 C ATOM 602 OH TYR A 38 11.667 6.914 -3.398 1.00 0.00 O ATOM 0 H TYR A 38 8.583 11.085 -5.581 1.00 0.00 H new ATOM 0 HA TYR A 38 5.733 11.197 -4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.009 9.159 -3.537 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.183 8.841 -5.252 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.258 7.991 -6.149 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.028 9.203 -2.078 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.440 6.949 -5.714 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.201 8.164 -1.638 1.00 0.00 H new ATOM 0 HH TYR A 38 11.739 6.075 -3.900 1.00 0.00 H new ATOM 612 N THR A 39 6.629 11.676 -2.402 1.00 0.00 N ATOM 613 CA THR A 39 7.174 12.312 -1.234 1.00 0.00 C ATOM 614 C THR A 39 7.187 11.313 -0.085 1.00 0.00 C ATOM 615 O THR A 39 6.154 10.914 0.436 1.00 0.00 O ATOM 616 CB THR A 39 6.428 13.607 -0.889 1.00 0.00 C ATOM 617 OG1 THR A 39 5.147 13.340 -0.311 1.00 0.00 O ATOM 618 CG2 THR A 39 6.238 14.458 -2.130 1.00 0.00 C ATOM 0 H THR A 39 5.666 11.352 -2.309 1.00 0.00 H new ATOM 0 HA THR A 39 8.201 12.617 -1.434 1.00 0.00 H new ATOM 0 HB THR A 39 7.037 14.142 -0.161 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.155 12.454 0.107 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.707 15.373 -1.866 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.211 14.712 -2.550 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.659 13.902 -2.867 1.00 0.00 H new ATOM 626 N SER A 40 8.381 10.900 0.279 1.00 0.00 N ATOM 627 CA SER A 40 8.576 9.885 1.302 1.00 0.00 C ATOM 628 C SER A 40 8.875 10.468 2.669 1.00 0.00 C ATOM 629 O SER A 40 9.927 11.060 2.877 1.00 0.00 O ATOM 630 CB SER A 40 9.735 8.982 0.890 1.00 0.00 C ATOM 631 OG SER A 40 9.849 7.866 1.753 1.00 0.00 O ATOM 0 H SER A 40 9.248 11.256 -0.124 1.00 0.00 H new ATOM 0 HA SER A 40 7.643 9.328 1.383 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.585 8.639 -0.134 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.665 9.551 0.903 1.00 0.00 H new ATOM 0 HG SER A 40 10.759 7.506 1.704 1.00 0.00 H new ATOM 637 N ILE A 41 7.999 10.222 3.620 1.00 0.00 N ATOM 638 CA ILE A 41 8.216 10.722 4.957 1.00 0.00 C ATOM 639 C ILE A 41 9.115 9.761 5.710 1.00 0.00 C ATOM 640 O ILE A 41 9.047 8.543 5.509 1.00 0.00 O ATOM 641 CB ILE A 41 6.902 10.908 5.753 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.263 9.562 6.105 1.00 0.00 C ATOM 643 CG2 ILE A 41 5.929 11.780 4.990 1.00 0.00 C ATOM 644 CD1 ILE A 41 5.240 9.643 7.215 1.00 0.00 C ATOM 0 H ILE A 41 7.141 9.686 3.493 1.00 0.00 H new ATOM 0 HA ILE A 41 8.680 11.704 4.860 1.00 0.00 H new ATOM 0 HB ILE A 41 7.153 11.409 6.688 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.787 9.153 5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.047 8.863 6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.013 11.896 5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.376 12.759 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.696 11.314 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.832 8.651 7.407 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.715 10.022 8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.435 10.315 6.919 1.00 0.00 H new ATOM 846 N ILE A 56 12.045 16.205 2.612 1.00 0.00 N ATOM 847 CA ILE A 56 11.508 15.316 1.613 1.00 0.00 C ATOM 848 C ILE A 56 10.933 16.070 0.438 1.00 0.00 C ATOM 849 O ILE A 56 9.777 16.497 0.451 1.00 0.00 O ATOM 850 CB ILE A 56 10.427 14.395 2.196 1.00 0.00 C ATOM 851 CG1 ILE A 56 10.943 13.696 3.461 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.013 13.387 1.146 1.00 0.00 C ATOM 853 CD1 ILE A 56 10.716 14.486 4.733 1.00 0.00 C ATOM 0 HA ILE A 56 12.345 14.709 1.267 1.00 0.00 H new ATOM 0 HB ILE A 56 9.557 14.987 2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.453 12.727 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.010 13.504 3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.245 12.730 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.617 13.910 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.878 12.794 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.107 13.927 5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.229 15.445 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.648 14.655 4.871 1.00 0.00 H new ATOM 865 N LYS A 57 11.765 16.262 -0.559 1.00 0.00 N ATOM 866 CA LYS A 57 11.336 16.895 -1.776 1.00 0.00 C ATOM 867 C LYS A 57 10.875 15.779 -2.698 1.00 0.00 C ATOM 868 O LYS A 57 11.337 14.646 -2.553 1.00 0.00 O ATOM 869 CB LYS A 57 12.473 17.703 -2.411 1.00 0.00 C ATOM 870 CG LYS A 57 13.035 18.806 -1.516 1.00 0.00 C ATOM 871 CD LYS A 57 11.956 19.477 -0.668 1.00 0.00 C ATOM 872 CE LYS A 57 12.431 20.812 -0.109 1.00 0.00 C ATOM 873 NZ LYS A 57 11.602 21.264 1.043 1.00 0.00 N ATOM 0 H LYS A 57 12.747 15.986 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 57 10.530 17.604 -1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.281 17.022 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.112 18.151 -3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.798 18.385 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.526 19.557 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.062 19.632 -1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.675 18.817 0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.471 20.723 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.399 21.566 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.960 22.176 1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.614 21.374 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.652 20.558 1.805 1.00 0.00 H new ATOM 887 N PRO A 58 9.950 16.051 -3.618 1.00 0.00 N ATOM 888 CA PRO A 58 9.440 15.033 -4.535 1.00 0.00 C ATOM 889 C PRO A 58 10.566 14.289 -5.253 1.00 0.00 C ATOM 890 O PRO A 58 11.264 14.848 -6.101 1.00 0.00 O ATOM 891 CB PRO A 58 8.577 15.828 -5.521 1.00 0.00 C ATOM 892 CG PRO A 58 8.891 17.267 -5.275 1.00 0.00 C ATOM 893 CD PRO A 58 9.319 17.356 -3.842 1.00 0.00 C ATOM 0 HA PRO A 58 8.882 14.254 -4.016 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.803 15.550 -6.550 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.518 15.627 -5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.682 17.613 -5.941 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.019 17.894 -5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.016 18.178 -3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.472 17.517 -3.175 1.00 0.00 H new ATOM 901 N GLN A 59 10.741 13.023 -4.889 1.00 0.00 N ATOM 902 CA GLN A 59 11.788 12.182 -5.467 1.00 0.00 C ATOM 903 C GLN A 59 11.191 11.173 -6.442 1.00 0.00 C ATOM 904 O GLN A 59 10.189 10.529 -6.143 1.00 0.00 O ATOM 905 CB GLN A 59 12.568 11.467 -4.358 1.00 0.00 C ATOM 906 CG GLN A 59 13.646 12.333 -3.721 1.00 0.00 C ATOM 907 CD GLN A 59 13.820 12.066 -2.237 1.00 0.00 C ATOM 908 OE1 GLN A 59 14.634 11.236 -1.829 1.00 0.00 O ATOM 909 NE2 GLN A 59 13.055 12.772 -1.419 1.00 0.00 N ATOM 0 H GLN A 59 10.167 12.552 -4.190 1.00 0.00 H new ATOM 0 HA GLN A 59 12.478 12.819 -6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.871 11.141 -3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.030 10.570 -4.770 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.594 12.157 -4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.395 13.383 -3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.393 13.450 -1.797 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.127 12.638 -0.410 1.00 0.00 H new ATOM 918 N LYS A 60 11.824 11.043 -7.598 1.00 0.00 N ATOM 919 CA LYS A 60 11.380 10.165 -8.655 1.00 0.00 C ATOM 920 C LYS A 60 11.549 8.717 -8.255 1.00 0.00 C ATOM 921 O LYS A 60 12.423 8.377 -7.454 1.00 0.00 O ATOM 922 CB LYS A 60 12.158 10.460 -9.940 1.00 0.00 C ATOM 923 CG LYS A 60 11.357 10.203 -11.198 1.00 0.00 C ATOM 924 CD LYS A 60 11.708 11.195 -12.291 1.00 0.00 C ATOM 925 CE LYS A 60 10.751 11.081 -13.461 1.00 0.00 C ATOM 926 NZ LYS A 60 11.477 10.988 -14.752 1.00 0.00 N ATOM 0 H LYS A 60 12.675 11.557 -7.826 1.00 0.00 H new ATOM 0 HA LYS A 60 10.320 10.345 -8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.481 11.501 -9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.059 9.847 -9.960 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.546 9.189 -11.551 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.293 10.269 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.678 12.208 -11.890 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.728 11.018 -12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.121 10.201 -13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.089 11.947 -13.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.792 10.911 -15.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.059 11.840 -14.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.090 10.148 -14.746 1.00 0.00 H new ATOM 940 N LEU A 61 10.699 7.883 -8.814 1.00 0.00 N ATOM 941 CA LEU A 61 10.723 6.465 -8.527 1.00 0.00 C ATOM 942 C LEU A 61 12.041 5.810 -8.872 1.00 0.00 C ATOM 943 O LEU A 61 12.537 5.910 -9.999 1.00 0.00 O ATOM 944 CB LEU A 61 9.621 5.746 -9.280 1.00 0.00 C ATOM 945 CG LEU A 61 8.307 5.649 -8.537 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.365 4.727 -9.285 1.00 0.00 C ATOM 947 CD2 LEU A 61 8.540 5.166 -7.120 1.00 0.00 C ATOM 0 H LEU A 61 9.976 8.166 -9.476 1.00 0.00 H new ATOM 0 HA LEU A 61 10.573 6.381 -7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.451 6.260 -10.226 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.962 4.739 -9.521 1.00 0.00 H new ATOM 0 HG LEU A 61 7.848 6.636 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.419 4.659 -8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.186 5.123 -10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.811 3.735 -9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.586 5.101 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.009 4.182 -7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.192 5.867 -6.599 1.00 0.00 H new ATOM 959 N GLY A 62 12.613 5.173 -7.867 1.00 0.00 N ATOM 960 CA GLY A 62 13.834 4.425 -8.057 1.00 0.00 C ATOM 961 C GLY A 62 13.609 3.229 -8.967 1.00 0.00 C ATOM 962 O GLY A 62 12.488 2.978 -9.417 1.00 0.00 O ATOM 0 H GLY A 62 12.250 5.161 -6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.598 5.073 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.210 4.085 -7.092 1.00 0.00 H new ATOM 966 N GLU A 63 14.653 2.463 -9.198 1.00 0.00 N ATOM 967 CA GLU A 63 14.575 1.310 -10.088 1.00 0.00 C ATOM 968 C GLU A 63 13.908 0.109 -9.421 1.00 0.00 C ATOM 969 O GLU A 63 13.599 -0.880 -10.085 1.00 0.00 O ATOM 970 CB GLU A 63 15.977 0.921 -10.541 1.00 0.00 C ATOM 971 CG GLU A 63 16.864 2.116 -10.849 1.00 0.00 C ATOM 972 CD GLU A 63 16.674 2.647 -12.255 1.00 0.00 C ATOM 973 OE1 GLU A 63 17.057 1.946 -13.212 1.00 0.00 O ATOM 974 OE2 GLU A 63 16.157 3.777 -12.408 1.00 0.00 O ATOM 0 H GLU A 63 15.573 2.613 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 63 13.963 1.597 -10.943 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.448 0.319 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.903 0.294 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.653 2.912 -10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.907 1.832 -10.712 1.00 0.00 H new ATOM 981 N ASP A 64 13.682 0.189 -8.117 1.00 0.00 N ATOM 982 CA ASP A 64 13.072 -0.927 -7.390 1.00 0.00 C ATOM 983 C ASP A 64 11.807 -0.488 -6.665 1.00 0.00 C ATOM 984 O ASP A 64 11.444 -1.051 -5.636 1.00 0.00 O ATOM 985 CB ASP A 64 14.070 -1.515 -6.384 1.00 0.00 C ATOM 986 CG ASP A 64 13.747 -2.953 -6.010 1.00 0.00 C ATOM 987 OD1 ASP A 64 13.985 -3.851 -6.843 1.00 0.00 O ATOM 988 OD2 ASP A 64 13.264 -3.192 -4.881 1.00 0.00 O ATOM 0 H ASP A 64 13.907 1.002 -7.543 1.00 0.00 H new ATOM 0 HA ASP A 64 12.801 -1.691 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.074 -1.470 -6.806 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.075 -0.902 -5.483 1.00 0.00 H new ATOM 993 N GLU A 65 11.128 0.510 -7.207 1.00 0.00 N ATOM 994 CA GLU A 65 9.922 1.024 -6.572 1.00 0.00 C ATOM 995 C GLU A 65 8.779 1.173 -7.563 1.00 0.00 C ATOM 996 O GLU A 65 7.786 1.843 -7.285 1.00 0.00 O ATOM 997 CB GLU A 65 10.254 2.359 -5.949 1.00 0.00 C ATOM 998 CG GLU A 65 10.939 2.234 -4.600 1.00 0.00 C ATOM 999 CD GLU A 65 10.753 3.452 -3.723 1.00 0.00 C ATOM 1000 OE1 GLU A 65 11.532 4.417 -3.861 1.00 0.00 O ATOM 1001 OE2 GLU A 65 9.843 3.439 -2.867 1.00 0.00 O ATOM 0 H GLU A 65 11.386 0.977 -8.076 1.00 0.00 H new ATOM 0 HA GLU A 65 9.589 0.316 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.899 2.919 -6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.337 2.936 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.549 1.358 -4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.005 2.065 -4.755 1.00 0.00 H new ATOM 1008 N SER A 66 8.954 0.556 -8.720 1.00 0.00 N ATOM 1009 CA SER A 66 7.967 0.563 -9.800 1.00 0.00 C ATOM 1010 C SER A 66 6.528 0.371 -9.293 1.00 0.00 C ATOM 1011 O SER A 66 6.166 -0.680 -8.755 1.00 0.00 O ATOM 1012 CB SER A 66 8.319 -0.532 -10.804 1.00 0.00 C ATOM 1013 OG SER A 66 9.725 -0.618 -10.986 1.00 0.00 O ATOM 0 H SER A 66 9.797 0.027 -8.944 1.00 0.00 H new ATOM 0 HA SER A 66 8.002 1.543 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.934 -1.490 -10.454 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.836 -0.324 -11.759 1.00 0.00 H new ATOM 0 HG SER A 66 9.929 -1.327 -11.632 1.00 0.00 H new ATOM 1019 N ILE A 67 5.727 1.409 -9.484 1.00 0.00 N ATOM 1020 CA ILE A 67 4.330 1.429 -9.074 1.00 0.00 C ATOM 1021 C ILE A 67 3.430 0.921 -10.202 1.00 0.00 C ATOM 1022 O ILE A 67 3.723 1.181 -11.375 1.00 0.00 O ATOM 1023 CB ILE A 67 3.920 2.881 -8.744 1.00 0.00 C ATOM 1024 CG1 ILE A 67 4.717 3.387 -7.557 1.00 0.00 C ATOM 1025 CG2 ILE A 67 2.429 3.013 -8.469 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.536 4.861 -7.313 1.00 0.00 C ATOM 0 H ILE A 67 6.033 2.272 -9.934 1.00 0.00 H new ATOM 0 HA ILE A 67 4.216 0.785 -8.202 1.00 0.00 H new ATOM 0 HB ILE A 67 4.141 3.489 -9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.418 2.837 -6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.774 3.178 -7.721 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.191 4.052 -8.242 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.867 2.696 -9.348 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.159 2.385 -7.620 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.131 5.163 -6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.861 5.418 -8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.484 5.071 -7.119 1.00 0.00 H new ATOM 1038 N PRO A 68 2.355 0.162 -9.885 1.00 0.00 N ATOM 1039 CA PRO A 68 1.398 -0.305 -10.897 1.00 0.00 C ATOM 1040 C PRO A 68 0.977 0.857 -11.792 1.00 0.00 C ATOM 1041 O PRO A 68 0.527 1.893 -11.298 1.00 0.00 O ATOM 1042 CB PRO A 68 0.227 -0.812 -10.062 1.00 0.00 C ATOM 1043 CG PRO A 68 0.855 -1.266 -8.789 1.00 0.00 C ATOM 1044 CD PRO A 68 2.009 -0.331 -8.537 1.00 0.00 C ATOM 0 HA PRO A 68 1.800 -1.069 -11.562 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.507 -0.025 -9.886 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.295 -1.628 -10.562 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.139 -1.232 -7.968 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.199 -2.297 -8.870 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.726 0.485 -7.872 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.849 -0.846 -8.071 1.00 0.00 H new ATOM 1052 N GLU A 69 1.109 0.682 -13.098 1.00 0.00 N ATOM 1053 CA GLU A 69 0.822 1.750 -14.053 1.00 0.00 C ATOM 1054 C GLU A 69 -0.640 2.209 -14.050 1.00 0.00 C ATOM 1055 O GLU A 69 -0.976 3.211 -14.685 1.00 0.00 O ATOM 1056 CB GLU A 69 1.292 1.339 -15.448 1.00 0.00 C ATOM 1057 CG GLU A 69 2.780 1.020 -15.475 1.00 0.00 C ATOM 1058 CD GLU A 69 3.391 1.033 -16.858 1.00 0.00 C ATOM 1059 OE1 GLU A 69 2.665 0.824 -17.849 1.00 0.00 O ATOM 1060 OE2 GLU A 69 4.622 1.235 -16.954 1.00 0.00 O ATOM 0 H GLU A 69 1.414 -0.192 -13.526 1.00 0.00 H new ATOM 0 HA GLU A 69 1.385 2.626 -13.731 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.728 0.467 -15.779 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.080 2.142 -16.154 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.306 1.742 -14.851 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.938 0.038 -15.029 1.00 0.00 H new ATOM 1067 N GLU A 70 -1.499 1.515 -13.323 1.00 0.00 N ATOM 1068 CA GLU A 70 -2.899 1.914 -13.242 1.00 0.00 C ATOM 1069 C GLU A 70 -3.110 2.893 -12.087 1.00 0.00 C ATOM 1070 O GLU A 70 -4.022 3.715 -12.120 1.00 0.00 O ATOM 1071 CB GLU A 70 -3.823 0.703 -13.077 1.00 0.00 C ATOM 1072 CG GLU A 70 -3.271 -0.384 -12.172 1.00 0.00 C ATOM 1073 CD GLU A 70 -2.682 -1.531 -12.957 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -1.630 -2.052 -12.543 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -3.268 -1.909 -13.995 1.00 0.00 O ATOM 0 H GLU A 70 -1.259 0.682 -12.785 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.154 2.406 -14.181 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.779 1.042 -12.678 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.022 0.275 -14.060 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.506 0.040 -11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.067 -0.757 -11.527 1.00 0.00 H new ATOM 1082 N ILE A 71 -2.247 2.817 -11.078 1.00 0.00 N ATOM 1083 CA ILE A 71 -2.353 3.692 -9.913 1.00 0.00 C ATOM 1084 C ILE A 71 -1.273 4.781 -9.941 1.00 0.00 C ATOM 1085 O ILE A 71 -1.420 5.839 -9.333 1.00 0.00 O ATOM 1086 CB ILE A 71 -2.258 2.877 -8.602 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.855 2.301 -8.420 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -3.288 1.754 -8.610 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.667 1.563 -7.113 1.00 0.00 C ATOM 0 H ILE A 71 -1.468 2.160 -11.043 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.329 4.176 -9.950 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.464 3.546 -7.766 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.641 1.622 -9.245 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.128 3.112 -8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.214 1.186 -7.683 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.288 2.178 -8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.100 1.094 -9.457 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.353 1.182 -7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.849 2.244 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.369 0.731 -7.061 1.00 0.00 H new ATOM 1101 N ILE A 72 -0.199 4.511 -10.680 1.00 0.00 N ATOM 1102 CA ILE A 72 0.923 5.441 -10.837 1.00 0.00 C ATOM 1103 C ILE A 72 0.488 6.697 -11.569 1.00 0.00 C ATOM 1104 O ILE A 72 1.143 7.734 -11.508 1.00 0.00 O ATOM 1105 CB ILE A 72 2.047 4.756 -11.634 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.409 5.408 -11.365 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.739 4.737 -13.129 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.899 6.321 -12.475 1.00 0.00 C ATOM 0 H ILE A 72 -0.080 3.636 -11.191 1.00 0.00 H new ATOM 0 HA ILE A 72 1.280 5.721 -9.846 1.00 0.00 H new ATOM 0 HB ILE A 72 2.100 3.723 -11.290 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.347 5.982 -10.440 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.148 4.623 -11.204 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.553 4.246 -13.662 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.811 4.192 -13.302 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.632 5.759 -13.492 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.868 6.739 -12.201 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.997 5.750 -13.399 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.184 7.130 -12.623 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.627 6.592 -12.258 1.00 0.00 N ATOM 1121 CA ASN A 73 -1.146 7.701 -13.022 1.00 0.00 C ATOM 1122 C ASN A 73 -2.355 8.298 -12.328 1.00 0.00 C ATOM 1123 O ASN A 73 -3.059 9.133 -12.894 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.518 7.221 -14.423 1.00 0.00 C ATOM 1125 CG ASN A 73 -1.293 8.271 -15.487 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -2.200 9.023 -15.844 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -0.082 8.318 -16.016 1.00 0.00 N ATOM 0 H ASN A 73 -1.193 5.745 -12.304 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.382 8.474 -13.100 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.931 6.335 -14.665 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.566 6.921 -14.432 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.129 8.996 -16.749 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.642 7.677 -15.691 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.587 7.882 -11.089 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.745 8.394 -10.365 1.00 0.00 C ATOM 1136 C GLY A 74 -3.456 8.795 -8.930 1.00 0.00 C ATOM 1137 O GLY A 74 -4.336 8.683 -8.081 1.00 0.00 O ATOM 0 H GLY A 74 -2.011 7.214 -10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.140 9.258 -10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.526 7.634 -10.367 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.240 9.285 -8.679 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.807 9.706 -7.335 1.00 0.00 C ATOM 1143 C LYS A 75 -1.866 8.523 -6.374 1.00 0.00 C ATOM 1144 O LYS A 75 -2.933 8.090 -5.943 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.636 10.892 -6.815 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.127 11.461 -5.494 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.965 12.979 -5.548 1.00 0.00 C ATOM 1148 CE LYS A 75 -0.731 13.388 -6.342 1.00 0.00 C ATOM 1149 NZ LYS A 75 -0.546 14.864 -6.391 1.00 0.00 N ATOM 0 H LYS A 75 -1.525 9.403 -9.397 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.775 10.049 -7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.635 11.682 -7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.671 10.574 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.821 11.199 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.169 11.003 -5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.852 13.423 -6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.892 13.373 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.152 12.929 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.813 13.002 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.316 15.088 -6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.367 15.302 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.457 15.235 -5.424 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.703 8.027 -6.012 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.627 6.861 -5.149 1.00 0.00 C ATOM 1165 C CYS A 76 -0.123 7.234 -3.765 1.00 0.00 C ATOM 1166 O CYS A 76 0.287 8.367 -3.528 1.00 0.00 O ATOM 1167 CB CYS A 76 0.272 5.801 -5.783 1.00 0.00 C ATOM 1168 SG CYS A 76 -0.011 4.124 -5.171 1.00 0.00 S ATOM 0 H CYS A 76 0.199 8.407 -6.298 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.631 6.451 -5.035 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.121 5.812 -6.862 1.00 0.00 H new ATOM 0 HB3 CYS A 76 1.313 6.070 -5.604 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.261 3.807 -5.335 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.176 6.275 -2.858 1.00 0.00 N ATOM 1175 CA PHE A 77 0.256 6.473 -1.492 1.00 0.00 C ATOM 1176 C PHE A 77 0.958 5.235 -0.965 1.00 0.00 C ATOM 1177 O PHE A 77 0.355 4.168 -0.833 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.941 6.814 -0.607 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.626 8.082 -1.015 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -0.998 9.303 -0.852 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -2.889 8.050 -1.575 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -1.616 10.470 -1.246 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -3.516 9.214 -1.965 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.879 10.426 -1.801 1.00 0.00 C ATOM 0 H PHE A 77 -0.521 5.335 -3.052 1.00 0.00 H new ATOM 0 HA PHE A 77 0.962 7.303 -1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.657 5.993 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.608 6.904 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.013 9.343 -0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.390 7.103 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.113 11.417 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.505 9.177 -2.398 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.368 11.339 -2.106 1.00 0.00 H new ATOM 1194 N PHE A 78 2.239 5.377 -0.686 1.00 0.00 N ATOM 1195 CA PHE A 78 3.022 4.283 -0.148 1.00 0.00 C ATOM 1196 C PHE A 78 2.809 4.262 1.350 1.00 0.00 C ATOM 1197 O PHE A 78 3.422 5.030 2.090 1.00 0.00 O ATOM 1198 CB PHE A 78 4.502 4.460 -0.478 1.00 0.00 C ATOM 1199 CG PHE A 78 5.343 3.239 -0.231 1.00 0.00 C ATOM 1200 CD1 PHE A 78 6.258 3.207 0.807 1.00 0.00 C ATOM 1201 CD2 PHE A 78 5.228 2.128 -1.048 1.00 0.00 C ATOM 1202 CE1 PHE A 78 7.041 2.088 1.022 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.005 1.005 -0.839 1.00 0.00 C ATOM 1204 CZ PHE A 78 6.912 0.985 0.196 1.00 0.00 C ATOM 0 H PHE A 78 2.761 6.243 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 78 2.705 3.339 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.597 4.746 -1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.898 5.285 0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.361 4.065 1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.519 2.139 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.753 2.075 1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.901 0.146 -1.485 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.522 0.110 0.363 1.00 0.00 H new ATOM 1214 N ILE A 79 1.919 3.405 1.784 1.00 0.00 N ATOM 1215 CA ILE A 79 1.581 3.306 3.186 1.00 0.00 C ATOM 1216 C ILE A 79 2.234 2.125 3.836 1.00 0.00 C ATOM 1217 O ILE A 79 2.801 1.245 3.190 1.00 0.00 O ATOM 1218 CB ILE A 79 0.069 3.160 3.401 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.355 1.730 3.071 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.702 4.176 2.575 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.798 1.605 2.664 1.00 0.00 C ATOM 0 H ILE A 79 1.410 2.759 1.181 1.00 0.00 H new ATOM 0 HA ILE A 79 1.940 4.232 3.636 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.164 3.360 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.274 1.351 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.176 1.098 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.771 4.049 2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.404 5.183 2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.485 4.025 1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.025 0.562 2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.437 1.953 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.979 2.210 1.775 1.00 0.00 H new ATOM 1233 N HIS A 80 2.120 2.136 5.126 1.00 0.00 N ATOM 1234 CA HIS A 80 2.618 1.095 5.959 1.00 0.00 C ATOM 1235 C HIS A 80 1.428 0.635 6.793 1.00 0.00 C ATOM 1236 O HIS A 80 0.992 1.333 7.712 1.00 0.00 O ATOM 1237 CB HIS A 80 3.787 1.660 6.769 1.00 0.00 C ATOM 1238 CG HIS A 80 4.048 0.996 8.072 1.00 0.00 C ATOM 1239 ND1 HIS A 80 5.002 0.026 8.248 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.488 1.205 9.272 1.00 0.00 C ATOM 1241 CE1 HIS A 80 5.016 -0.342 9.515 1.00 0.00 C ATOM 1242 NE2 HIS A 80 4.102 0.360 10.162 1.00 0.00 N ATOM 0 H HIS A 80 1.665 2.891 5.640 1.00 0.00 H new ATOM 0 HA HIS A 80 3.015 0.230 5.427 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.690 1.596 6.162 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.600 2.718 6.952 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.700 1.908 9.497 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.664 -1.089 9.949 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.889 0.286 11.157 1.00 0.00 H new ATOM 1251 N TYR A 81 0.854 -0.493 6.386 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.332 -1.046 7.029 1.00 0.00 C ATOM 1253 C TYR A 81 -0.200 -1.120 8.541 1.00 0.00 C ATOM 1254 O TYR A 81 0.657 -1.828 9.075 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.658 -2.421 6.452 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.278 -2.357 5.073 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -2.606 -1.980 4.906 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -0.539 -2.664 3.939 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -3.175 -1.913 3.648 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -1.102 -2.601 2.680 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.419 -2.224 2.540 1.00 0.00 C ATOM 1262 OH TYR A 81 -2.978 -2.159 1.285 1.00 0.00 O ATOM 0 H TYR A 81 1.198 -1.048 5.602 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.155 -0.363 6.818 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.255 -3.014 6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.340 -2.938 7.126 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.202 -1.736 5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.495 -2.957 4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.208 -1.618 3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.512 -2.846 1.809 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.985 -3.053 0.883 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.051 -0.357 9.218 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.065 -0.330 10.672 1.00 0.00 C ATOM 1274 C GLN A 82 -1.576 -1.661 11.199 1.00 0.00 C ATOM 1275 O GLN A 82 -2.570 -2.198 10.704 1.00 0.00 O ATOM 1276 CB GLN A 82 -1.929 0.823 11.196 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.367 2.193 10.853 1.00 0.00 C ATOM 1278 CD GLN A 82 -1.576 3.221 11.951 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -0.708 4.057 12.199 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -2.726 3.182 12.607 1.00 0.00 N ATOM 0 H GLN A 82 -1.742 0.252 8.779 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.048 -0.168 11.028 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.933 0.734 10.781 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.023 0.736 12.278 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.300 2.100 10.651 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.835 2.551 9.936 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.422 2.474 12.374 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.915 3.860 13.345 1.00 0.00 H new ATOM 1289 N GLY A 83 -0.885 -2.201 12.185 1.00 0.00 N ATOM 1290 CA GLY A 83 -1.266 -3.480 12.736 1.00 0.00 C ATOM 1291 C GLY A 83 -0.320 -4.554 12.259 1.00 0.00 C ATOM 1292 O GLY A 83 -0.208 -5.622 12.860 1.00 0.00 O ATOM 0 H GLY A 83 -0.064 -1.775 12.615 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.255 -3.433 13.825 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.285 -3.724 12.437 1.00 0.00 H new ATOM 1296 N TRP A 84 0.375 -4.248 11.174 1.00 0.00 N ATOM 1297 CA TRP A 84 1.335 -5.163 10.590 1.00 0.00 C ATOM 1298 C TRP A 84 2.750 -4.666 10.876 1.00 0.00 C ATOM 1299 O TRP A 84 3.083 -4.368 12.024 1.00 0.00 O ATOM 1300 CB TRP A 84 1.095 -5.285 9.086 1.00 0.00 C ATOM 1301 CG TRP A 84 -0.240 -5.872 8.737 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -1.346 -5.198 8.304 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -0.608 -7.254 8.789 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -2.378 -6.078 8.081 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -1.948 -7.347 8.372 1.00 0.00 C ATOM 1306 CE3 TRP A 84 0.067 -8.422 9.148 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -2.624 -8.565 8.300 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -0.602 -9.629 9.078 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -1.935 -9.692 8.657 1.00 0.00 C ATOM 0 H TRP A 84 0.288 -3.361 10.678 1.00 0.00 H new ATOM 0 HA TRP A 84 1.214 -6.151 11.034 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.178 -4.298 8.632 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.880 -5.903 8.650 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.402 -4.129 8.158 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.311 -5.828 7.753 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.096 -8.383 9.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.653 -8.617 7.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.088 -10.538 9.353 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.431 -10.651 8.613 1.00 0.00 H new ATOM 1320 N LYS A 85 3.573 -4.545 9.838 1.00 0.00 N ATOM 1321 CA LYS A 85 4.942 -4.077 10.007 1.00 0.00 C ATOM 1322 C LYS A 85 5.489 -3.524 8.694 1.00 0.00 C ATOM 1323 O LYS A 85 4.757 -3.410 7.711 1.00 0.00 O ATOM 1324 CB LYS A 85 5.838 -5.208 10.528 1.00 0.00 C ATOM 1325 CG LYS A 85 5.899 -6.420 9.614 1.00 0.00 C ATOM 1326 CD LYS A 85 6.327 -7.671 10.372 1.00 0.00 C ATOM 1327 CE LYS A 85 7.593 -7.440 11.189 1.00 0.00 C ATOM 1328 NZ LYS A 85 8.094 -8.695 11.808 1.00 0.00 N ATOM 0 H LYS A 85 3.316 -4.764 8.876 1.00 0.00 H new ATOM 0 HA LYS A 85 4.939 -3.273 10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.847 -4.822 10.670 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.476 -5.522 11.507 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.921 -6.585 9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.599 -6.229 8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.521 -7.987 11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.495 -8.483 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.367 -7.019 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.392 -6.706 11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.956 -8.493 12.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.366 -9.084 12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.311 -9.387 11.063 1.00 0.00 H new ATOM 1342 N SER A 86 6.781 -3.199 8.688 1.00 0.00 N ATOM 1343 CA SER A 86 7.458 -2.639 7.519 1.00 0.00 C ATOM 1344 C SER A 86 7.373 -3.564 6.302 1.00 0.00 C ATOM 1345 O SER A 86 7.449 -3.114 5.159 1.00 0.00 O ATOM 1346 CB SER A 86 8.915 -2.386 7.886 1.00 0.00 C ATOM 1347 OG SER A 86 9.118 -2.602 9.278 1.00 0.00 O ATOM 0 H SER A 86 7.390 -3.317 9.497 1.00 0.00 H new ATOM 0 HA SER A 86 6.962 -1.709 7.241 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.562 -3.047 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.191 -1.364 7.626 1.00 0.00 H new ATOM 0 HG SER A 86 9.280 -3.555 9.441 1.00 0.00 H new ATOM 1353 N SER A 87 7.207 -4.858 6.551 1.00 0.00 N ATOM 1354 CA SER A 87 7.106 -5.841 5.479 1.00 0.00 C ATOM 1355 C SER A 87 5.782 -5.710 4.724 1.00 0.00 C ATOM 1356 O SER A 87 5.538 -6.430 3.755 1.00 0.00 O ATOM 1357 CB SER A 87 7.239 -7.247 6.064 1.00 0.00 C ATOM 1358 OG SER A 87 8.227 -7.275 7.081 1.00 0.00 O ATOM 0 H SER A 87 7.139 -5.252 7.490 1.00 0.00 H new ATOM 0 HA SER A 87 7.913 -5.659 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.281 -7.569 6.472 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.502 -7.951 5.275 1.00 0.00 H new ATOM 0 HG SER A 87 8.297 -8.182 7.445 1.00 0.00 H new ATOM 1364 N TRP A 88 4.938 -4.783 5.163 1.00 0.00 N ATOM 1365 CA TRP A 88 3.639 -4.577 4.541 1.00 0.00 C ATOM 1366 C TRP A 88 3.523 -3.192 3.918 1.00 0.00 C ATOM 1367 O TRP A 88 2.420 -2.686 3.717 1.00 0.00 O ATOM 1368 CB TRP A 88 2.524 -4.793 5.562 1.00 0.00 C ATOM 1369 CG TRP A 88 2.281 -6.243 5.849 1.00 0.00 C ATOM 1370 CD1 TRP A 88 2.982 -7.036 6.709 1.00 0.00 C ATOM 1371 CD2 TRP A 88 1.274 -7.078 5.267 1.00 0.00 C ATOM 1372 NE1 TRP A 88 2.472 -8.309 6.698 1.00 0.00 N ATOM 1373 CE2 TRP A 88 1.422 -8.360 5.822 1.00 0.00 C ATOM 1374 CE3 TRP A 88 0.260 -6.861 4.330 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 0.591 -9.425 5.470 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -0.561 -7.916 3.984 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -0.393 -9.183 4.552 1.00 0.00 C ATOM 0 H TRP A 88 5.132 -4.162 5.949 1.00 0.00 H new ATOM 0 HA TRP A 88 3.538 -5.308 3.739 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.781 -4.281 6.489 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.604 -4.340 5.192 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.817 -6.709 7.311 1.00 0.00 H new ATOM 0 HE1 TRP A 88 2.819 -9.091 7.253 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.121 -5.887 3.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 0.721 -10.404 5.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.348 -7.760 3.261 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.053 -9.986 4.260 1.00 0.00 H new ATOM 1388 N ASP A 89 4.659 -2.570 3.636 1.00 0.00 N ATOM 1389 CA ASP A 89 4.666 -1.261 2.992 1.00 0.00 C ATOM 1390 C ASP A 89 4.245 -1.449 1.537 1.00 0.00 C ATOM 1391 O ASP A 89 4.962 -2.079 0.760 1.00 0.00 O ATOM 1392 CB ASP A 89 6.059 -0.622 3.069 1.00 0.00 C ATOM 1393 CG ASP A 89 6.375 -0.005 4.424 1.00 0.00 C ATOM 1394 OD1 ASP A 89 5.869 -0.496 5.459 1.00 0.00 O ATOM 1395 OD2 ASP A 89 7.160 0.968 4.464 1.00 0.00 O ATOM 0 H ASP A 89 5.584 -2.947 3.841 1.00 0.00 H new ATOM 0 HA ASP A 89 3.972 -0.593 3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.809 -1.379 2.840 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.139 0.148 2.302 1.00 0.00 H new ATOM 1400 N GLU A 90 3.082 -0.918 1.172 1.00 0.00 N ATOM 1401 CA GLU A 90 2.561 -1.087 -0.183 1.00 0.00 C ATOM 1402 C GLU A 90 2.115 0.237 -0.800 1.00 0.00 C ATOM 1403 O GLU A 90 2.048 1.263 -0.121 1.00 0.00 O ATOM 1404 CB GLU A 90 1.382 -2.069 -0.169 1.00 0.00 C ATOM 1405 CG GLU A 90 1.443 -3.112 -1.269 1.00 0.00 C ATOM 1406 CD GLU A 90 0.274 -3.016 -2.227 1.00 0.00 C ATOM 1407 OE1 GLU A 90 0.429 -2.402 -3.300 1.00 0.00 O ATOM 1408 OE2 GLU A 90 -0.806 -3.564 -1.914 1.00 0.00 O ATOM 0 H GLU A 90 2.484 -0.370 1.791 1.00 0.00 H new ATOM 0 HA GLU A 90 3.371 -1.481 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.353 -2.574 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.452 -1.508 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.374 -2.995 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.461 -4.106 -0.822 1.00 0.00 H new ATOM 1415 N TRP A 91 1.788 0.189 -2.090 1.00 0.00 N ATOM 1416 CA TRP A 91 1.345 1.361 -2.836 1.00 0.00 C ATOM 1417 C TRP A 91 -0.162 1.324 -3.058 1.00 0.00 C ATOM 1418 O TRP A 91 -0.660 0.522 -3.848 1.00 0.00 O ATOM 1419 CB TRP A 91 2.022 1.411 -4.210 1.00 0.00 C ATOM 1420 CG TRP A 91 3.405 1.990 -4.229 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.567 1.302 -4.432 1.00 0.00 C ATOM 1422 CD2 TRP A 91 3.777 3.372 -4.079 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.635 2.165 -4.426 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.177 3.439 -4.208 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.068 4.558 -3.851 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 5.876 4.640 -4.120 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.772 5.748 -3.760 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.160 5.780 -3.898 1.00 0.00 C ATOM 0 H TRP A 91 1.823 -0.665 -2.646 1.00 0.00 H new ATOM 0 HA TRP A 91 1.614 2.240 -2.250 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.066 0.398 -4.611 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.394 1.994 -4.884 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.636 0.234 -4.576 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.611 1.901 -4.562 1.00 0.00 H new ATOM 0 HE3 TRP A 91 1.993 4.545 -3.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 6.951 4.668 -4.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.236 6.668 -3.579 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.678 6.725 -3.828 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.892 2.180 -2.368 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.331 2.233 -2.539 1.00 0.00 C ATOM 1441 C VAL A 92 -2.725 3.556 -3.175 1.00 0.00 C ATOM 1442 O VAL A 92 -2.206 4.604 -2.815 1.00 0.00 O ATOM 1443 CB VAL A 92 -3.090 2.034 -1.212 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.827 0.644 -0.645 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.721 3.109 -0.209 1.00 0.00 C ATOM 0 H VAL A 92 -0.516 2.843 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.613 1.409 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.157 2.121 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.372 0.524 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.161 -0.109 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.759 0.522 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.270 2.945 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.650 3.068 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.977 4.088 -0.614 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.611 3.508 -4.149 1.00 0.00 N ATOM 1456 CA GLY A 93 -4.028 4.727 -4.809 1.00 0.00 C ATOM 1457 C GLY A 93 -5.364 5.206 -4.301 1.00 0.00 C ATOM 1458 O GLY A 93 -5.979 4.530 -3.487 1.00 0.00 O ATOM 0 H GLY A 93 -4.049 2.655 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.279 5.502 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.087 4.557 -5.884 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.805 6.364 -4.783 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.099 6.964 -4.403 1.00 0.00 C ATOM 1464 C TYR A 94 -8.267 6.009 -4.644 1.00 0.00 C ATOM 1465 O TYR A 94 -9.393 6.241 -4.202 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.326 8.224 -5.230 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.832 9.475 -4.578 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -5.762 10.172 -5.109 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -7.442 9.969 -3.441 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -5.309 11.329 -4.522 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -6.998 11.123 -2.843 1.00 0.00 C ATOM 1472 CZ TYR A 94 -5.929 11.805 -3.388 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.482 12.965 -2.798 1.00 0.00 O ATOM 0 H TYR A 94 -5.278 6.924 -5.453 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.058 7.192 -3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.830 8.108 -6.194 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.392 8.328 -5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.275 9.801 -5.999 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.281 9.439 -3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.472 11.862 -4.947 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.482 11.494 -1.952 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.028 13.162 -2.009 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.961 4.932 -5.322 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.941 3.920 -5.686 1.00 0.00 C ATOM 1485 C ASP A 95 -9.057 2.873 -4.590 1.00 0.00 C ATOM 1486 O ASP A 95 -10.138 2.350 -4.324 1.00 0.00 O ATOM 1487 CB ASP A 95 -8.554 3.252 -7.013 1.00 0.00 C ATOM 1488 CG ASP A 95 -7.340 2.350 -6.884 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -6.294 2.824 -6.381 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -7.430 1.169 -7.277 1.00 0.00 O ATOM 0 H ASP A 95 -7.016 4.724 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.908 4.408 -5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -9.398 2.668 -7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.351 4.022 -7.757 1.00 0.00 H new ATOM 1495 N ARG A 96 -7.937 2.581 -3.949 1.00 0.00 N ATOM 1496 CA ARG A 96 -7.908 1.599 -2.885 1.00 0.00 C ATOM 1497 C ARG A 96 -7.911 2.304 -1.546 1.00 0.00 C ATOM 1498 O ARG A 96 -8.422 1.793 -0.556 1.00 0.00 O ATOM 1499 CB ARG A 96 -6.657 0.718 -2.992 1.00 0.00 C ATOM 1500 CG ARG A 96 -6.622 -0.184 -4.219 1.00 0.00 C ATOM 1501 CD ARG A 96 -5.248 -0.813 -4.412 1.00 0.00 C ATOM 1502 NE ARG A 96 -4.867 -1.668 -3.284 1.00 0.00 N ATOM 1503 CZ ARG A 96 -3.616 -2.067 -3.035 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -2.611 -1.662 -3.808 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -3.367 -2.855 -1.995 1.00 0.00 N ATOM 0 H ARG A 96 -7.035 3.013 -4.150 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.791 0.966 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.776 1.360 -3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.588 0.097 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.371 -0.969 -4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.886 0.394 -5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.246 -1.402 -5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.504 -0.026 -4.537 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.603 -1.978 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.793 -1.042 -4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.659 -1.971 -3.611 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.130 -3.155 -1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.413 -3.160 -1.804 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.343 3.494 -1.536 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.244 4.287 -0.333 1.00 0.00 C ATOM 1521 C ILE A 97 -8.492 5.142 -0.135 1.00 0.00 C ATOM 1522 O ILE A 97 -9.083 5.647 -1.093 1.00 0.00 O ATOM 1523 CB ILE A 97 -5.972 5.175 -0.359 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.537 5.526 1.049 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.205 6.452 -1.133 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.156 6.139 1.121 1.00 0.00 C ATOM 0 H ILE A 97 -6.939 3.935 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.166 3.602 0.512 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.189 4.600 -0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.257 6.222 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.558 4.625 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.294 7.050 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.478 6.210 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.011 7.018 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.912 6.364 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.425 5.437 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.135 7.058 0.536 1.00 0.00 H new ATOM 1538 N ARG A 98 -8.898 5.257 1.116 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.058 6.041 1.509 1.00 0.00 C ATOM 1540 C ARG A 98 -9.663 6.934 2.678 1.00 0.00 C ATOM 1541 O ARG A 98 -8.509 6.923 3.097 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.218 5.124 1.921 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.524 4.007 0.928 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.424 4.474 -0.211 1.00 0.00 C ATOM 1545 NE ARG A 98 -11.745 5.402 -1.112 1.00 0.00 N ATOM 1546 CZ ARG A 98 -12.312 6.485 -1.636 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -13.583 6.773 -1.368 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -11.613 7.265 -2.451 1.00 0.00 N ATOM 0 H ARG A 98 -8.427 4.804 1.899 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.390 6.647 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.987 4.679 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.114 5.730 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.590 3.624 0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.004 3.180 1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.768 3.608 -0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.309 4.956 0.203 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.774 5.207 -1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.127 6.162 -0.758 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.014 7.605 -1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.645 7.033 -2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.044 8.097 -2.855 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.607 7.674 3.233 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.316 8.539 4.336 1.00 0.00 C ATOM 1564 C ALA A 99 -10.807 7.859 5.576 1.00 0.00 C ATOM 1565 O ALA A 99 -11.942 7.394 5.639 1.00 0.00 O ATOM 1566 CB ALA A 99 -10.972 9.906 4.178 1.00 0.00 C ATOM 0 H ALA A 99 -11.580 7.685 2.929 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.242 8.720 4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.725 10.530 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.607 10.381 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.054 9.786 4.116 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.939 7.749 6.527 1.00 0.00 N ATOM 1573 CA TYR A 100 -10.270 7.126 7.769 1.00 0.00 C ATOM 1574 C TYR A 100 -11.272 8.018 8.507 1.00 0.00 C ATOM 1575 O TYR A 100 -10.896 8.996 9.151 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.963 6.966 8.507 1.00 0.00 C ATOM 1577 CG TYR A 100 -9.022 6.234 9.824 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -9.164 6.910 11.027 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.901 4.853 9.858 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -9.182 6.226 12.229 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.927 4.162 11.050 1.00 0.00 C ATOM 1582 CZ TYR A 100 -9.065 4.849 12.234 1.00 0.00 C ATOM 1583 OH TYR A 100 -9.069 4.154 13.422 1.00 0.00 O ATOM 0 H TYR A 100 -8.979 8.088 6.466 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.744 6.150 7.661 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -8.265 6.441 7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.548 7.958 8.686 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.262 7.986 11.025 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.784 4.309 8.933 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.287 6.765 13.159 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.839 3.086 11.055 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.547 3.331 13.321 1.00 0.00 H new ATOM 1593 N ASN A 101 -12.555 7.688 8.368 1.00 0.00 N ATOM 1594 CA ASN A 101 -13.628 8.465 8.979 1.00 0.00 C ATOM 1595 C ASN A 101 -14.832 7.583 9.299 1.00 0.00 C ATOM 1596 O ASN A 101 -14.813 6.380 9.055 1.00 0.00 O ATOM 1597 CB ASN A 101 -14.049 9.613 8.050 1.00 0.00 C ATOM 1598 CG ASN A 101 -14.470 9.135 6.671 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -15.261 8.202 6.535 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -13.944 9.767 5.640 1.00 0.00 N ATOM 0 H ASN A 101 -12.877 6.881 7.833 1.00 0.00 H new ATOM 0 HA ASN A 101 -13.252 8.882 9.914 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -14.874 10.159 8.507 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -13.220 10.314 7.949 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.190 9.487 4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.292 10.536 5.792 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.899 8.208 9.777 1.00 0.00 N ATOM 1608 CA GLU A 102 -17.114 7.498 10.176 1.00 0.00 C ATOM 1609 C GLU A 102 -17.863 6.856 9.002 1.00 0.00 C ATOM 1610 O GLU A 102 -18.748 6.031 9.217 1.00 0.00 O ATOM 1611 CB GLU A 102 -18.071 8.461 10.882 1.00 0.00 C ATOM 1612 CG GLU A 102 -17.401 9.414 11.858 1.00 0.00 C ATOM 1613 CD GLU A 102 -18.369 10.452 12.392 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -19.404 10.061 12.968 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -18.109 11.662 12.234 1.00 0.00 O ATOM 0 H GLU A 102 -15.950 9.219 9.900 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.788 6.697 10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.600 9.045 10.129 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.821 7.880 11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.982 8.847 12.689 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.569 9.915 11.363 1.00 0.00 H new ATOM 1622 N GLU A 103 -17.521 7.216 7.774 1.00 0.00 N ATOM 1623 CA GLU A 103 -18.222 6.674 6.614 1.00 0.00 C ATOM 1624 C GLU A 103 -17.490 5.490 5.986 1.00 0.00 C ATOM 1625 O GLU A 103 -18.102 4.470 5.673 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.430 7.762 5.561 1.00 0.00 C ATOM 1627 CG GLU A 103 -19.298 7.321 4.391 1.00 0.00 C ATOM 1628 CD GLU A 103 -20.775 7.254 4.735 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -21.171 6.377 5.531 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -21.551 8.076 4.200 1.00 0.00 O ATOM 0 H GLU A 103 -16.772 7.873 7.554 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.186 6.313 6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.887 8.631 6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.459 8.080 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.156 8.012 3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -18.966 6.340 4.050 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.180 5.607 5.824 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.405 4.544 5.197 1.00 0.00 C ATOM 1639 C ASN A 104 -15.158 3.426 6.184 1.00 0.00 C ATOM 1640 O ASN A 104 -15.208 2.247 5.838 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.083 5.084 4.651 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.286 6.030 3.481 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -14.098 7.239 3.603 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -14.681 5.487 2.339 1.00 0.00 N ATOM 0 H ASN A 104 -15.635 6.419 6.115 1.00 0.00 H new ATOM 0 HA ASN A 104 -15.978 4.148 4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.549 5.603 5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.455 4.251 4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -14.840 6.077 1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -14.826 4.479 2.277 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.917 3.803 7.425 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.686 2.838 8.479 1.00 0.00 C ATOM 1653 C ILE A 105 -15.974 2.094 8.768 1.00 0.00 C ATOM 1654 O ILE A 105 -15.963 0.930 9.161 1.00 0.00 O ATOM 1655 CB ILE A 105 -14.202 3.524 9.743 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.822 4.109 9.511 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -14.190 2.570 10.921 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -12.379 4.987 10.635 1.00 0.00 C ATOM 0 H ILE A 105 -14.876 4.776 7.727 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.917 2.139 8.150 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.895 4.330 9.985 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.104 3.299 9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.825 4.683 8.585 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.838 3.094 11.810 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -15.198 2.195 11.096 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -13.525 1.734 10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.385 5.380 10.420 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -13.080 5.814 10.749 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -12.348 4.408 11.558 1.00 0.00 H new ATOM 1670 N ALA A 106 -17.091 2.790 8.558 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.404 2.208 8.757 1.00 0.00 C ATOM 1672 C ALA A 106 -18.508 0.924 7.953 1.00 0.00 C ATOM 1673 O ALA A 106 -19.138 -0.047 8.379 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.483 3.194 8.348 1.00 0.00 C ATOM 0 H ALA A 106 -17.105 3.762 8.249 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.546 1.976 9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.464 2.745 8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -19.398 4.097 8.952 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.362 3.449 7.295 1.00 0.00 H new ATOM 1680 N MET A 107 -17.860 0.922 6.793 1.00 0.00 N ATOM 1681 CA MET A 107 -17.844 -0.254 5.954 1.00 0.00 C ATOM 1682 C MET A 107 -16.866 -1.243 6.552 1.00 0.00 C ATOM 1683 O MET A 107 -17.201 -2.388 6.725 1.00 0.00 O ATOM 1684 CB MET A 107 -17.435 0.068 4.513 1.00 0.00 C ATOM 1685 CG MET A 107 -18.091 -0.836 3.482 1.00 0.00 C ATOM 1686 SD MET A 107 -17.449 -0.570 1.820 1.00 0.00 S ATOM 1687 CE MET A 107 -18.085 -2.018 0.980 1.00 0.00 C ATOM 0 H MET A 107 -17.344 1.719 6.421 1.00 0.00 H new ATOM 0 HA MET A 107 -18.851 -0.668 5.915 1.00 0.00 H new ATOM 0 HB2 MET A 107 -17.693 1.104 4.293 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.352 -0.017 4.423 1.00 0.00 H new ATOM 0 HG2 MET A 107 -17.935 -1.877 3.765 1.00 0.00 H new ATOM 0 HG3 MET A 107 -19.167 -0.662 3.484 1.00 0.00 H new ATOM 0 HE1 MET A 107 -17.772 -2.000 -0.064 1.00 0.00 H new ATOM 0 HE2 MET A 107 -17.697 -2.917 1.460 1.00 0.00 H new ATOM 0 HE3 MET A 107 -19.174 -2.020 1.032 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.664 -0.760 6.902 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.599 -1.579 7.490 1.00 0.00 C ATOM 1699 C LYS A 108 -15.122 -2.483 8.606 1.00 0.00 C ATOM 1700 O LYS A 108 -14.739 -3.646 8.705 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.502 -0.667 8.044 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.197 -1.383 8.334 1.00 0.00 C ATOM 1703 CD LYS A 108 -11.565 -0.900 9.634 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.054 -0.819 9.518 1.00 0.00 C ATOM 1705 NZ LYS A 108 -9.360 -1.302 10.743 1.00 0.00 N ATOM 0 H LYS A 108 -15.404 0.219 6.783 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.199 -2.219 6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.314 0.135 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.860 -0.200 8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.377 -2.456 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.502 -1.221 7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -11.965 0.081 9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -11.833 -1.577 10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.727 -1.410 8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.763 0.213 9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.355 -1.467 10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.442 -0.587 11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.797 -2.190 11.062 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.983 -1.934 9.450 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.574 -2.701 10.559 1.00 0.00 C ATOM 1721 C LYS A 109 -17.365 -3.864 10.010 1.00 0.00 C ATOM 1722 O LYS A 109 -17.160 -5.018 10.394 1.00 0.00 O ATOM 1723 CB LYS A 109 -17.514 -1.847 11.410 1.00 0.00 C ATOM 1724 CG LYS A 109 -17.020 -0.446 11.675 1.00 0.00 C ATOM 1725 CD LYS A 109 -15.852 -0.438 12.640 1.00 0.00 C ATOM 1726 CE LYS A 109 -15.902 0.798 13.527 1.00 0.00 C ATOM 1727 NZ LYS A 109 -14.697 0.940 14.385 1.00 0.00 N ATOM 0 H LYS A 109 -16.293 -0.964 9.396 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.751 -3.046 11.184 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -18.482 -1.789 10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -17.676 -2.348 12.364 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.719 0.018 10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -17.833 0.156 12.082 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.876 -1.337 13.257 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.914 -0.457 12.085 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.003 1.685 12.901 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.789 0.751 14.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.784 1.797 14.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.611 0.108 15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.851 1.014 13.785 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.286 -3.546 9.122 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.098 -4.555 8.489 1.00 0.00 C ATOM 1743 C ARG A 110 -18.191 -5.474 7.700 1.00 0.00 C ATOM 1744 O ARG A 110 -18.302 -6.676 7.774 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.123 -3.898 7.564 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.261 -4.819 7.167 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.025 -4.286 5.968 1.00 0.00 C ATOM 1748 NE ARG A 110 -22.960 -3.224 6.322 1.00 0.00 N ATOM 1749 CZ ARG A 110 -23.150 -2.129 5.590 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -22.419 -1.917 4.505 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -24.067 -1.245 5.950 1.00 0.00 N ATOM 0 H ARG A 110 -18.488 -2.591 8.824 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.638 -5.128 9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.534 -3.018 8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -19.617 -3.550 6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -20.865 -5.808 6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.943 -4.938 8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -21.317 -3.910 5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.571 -5.104 5.498 1.00 0.00 H new ATOM 0 HE ARG A 110 -23.500 -3.327 7.181 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -21.708 -2.594 4.229 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -22.567 -1.077 3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -24.627 -1.403 6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -24.214 -0.405 5.390 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.257 -4.865 7.010 1.00 0.00 N ATOM 1766 CA LEU A 111 -16.286 -5.542 6.175 1.00 0.00 C ATOM 1767 C LEU A 111 -15.498 -6.601 6.911 1.00 0.00 C ATOM 1768 O LEU A 111 -15.315 -7.696 6.389 1.00 0.00 O ATOM 1769 CB LEU A 111 -15.350 -4.497 5.579 1.00 0.00 C ATOM 1770 CG LEU A 111 -15.817 -3.978 4.247 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -15.231 -2.612 3.960 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -15.486 -4.919 3.120 1.00 0.00 C ATOM 0 H LEU A 111 -17.146 -3.851 7.012 1.00 0.00 H new ATOM 0 HA LEU A 111 -16.829 -6.070 5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.256 -3.663 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -14.356 -4.931 5.465 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.902 -3.898 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -15.585 -2.261 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.542 -1.912 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.143 -2.678 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.843 -4.500 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.406 -5.059 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.968 -5.881 3.295 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.046 -6.317 8.120 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.268 -7.303 8.833 1.00 0.00 C ATOM 1786 C ALA A 112 -15.141 -8.476 9.230 1.00 0.00 C ATOM 1787 O ALA A 112 -14.647 -9.569 9.490 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.575 -6.685 10.031 1.00 0.00 C ATOM 0 H ALA A 112 -15.200 -5.438 8.613 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.488 -7.678 8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.996 -7.449 10.550 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.909 -5.890 9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.321 -6.271 10.710 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.442 -8.253 9.264 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.360 -9.318 9.587 1.00 0.00 C ATOM 1796 C ASN A 113 -17.937 -9.905 8.293 1.00 0.00 C ATOM 1797 O ASN A 113 -18.314 -11.068 8.250 1.00 0.00 O ATOM 1798 CB ASN A 113 -18.443 -8.832 10.563 1.00 0.00 C ATOM 1799 CG ASN A 113 -19.840 -8.756 9.971 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -20.241 -7.565 9.555 1.00 0.00 O flip ATOM 1801 ND2 ASN A 113 -20.561 -9.753 9.920 1.00 0.00 N flip ATOM 0 H ASN A 113 -16.879 -7.351 9.073 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.830 -10.119 10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -18.463 -9.500 11.424 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -18.165 -7.845 10.932 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -20.212 -10.652 10.252 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -21.507 -9.680 9.546 1.00 0.00 H new