USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 828 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 9 THR OG1 : rot -51:sc= 1.38 USER MOD Set 1.2: A 81 MET CE :methyl -167:sc= -0.154 (180deg=-0.626) USER MOD Single : A 15 THR OG1 : rot -74:sc= 1.08 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.527 X(o=-0.53,f=-0.073) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 35 THR OG1 : rot 161:sc= 0.393 USER MOD Single : A 47 THR OG1 : rot 36:sc= 0.25 USER MOD Single : A 48 GLN : amide:sc= 0.919 K(o=0.92,f=-3.3!) USER MOD Single : A 64 HIS : no HE2:sc= 0.933 K(o=0.93,f=-4.6!) USER MOD Single : A 67 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.0067) USER MOD Single : A 71 THR OG1 : rot -7:sc= -0.22 USER MOD Single : A 73 ASN : amide:sc= -1.62! C(o=-1.6!,f=-4.9!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -38:sc=-0.00857 USER MOD Single : A 99 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.21) USER MOD Single : A 105 ASN : amide:sc= -0.601 K(o=-0.6,f=0) USER MOD Single : A 113 SER OG : rot 71:sc= 1.09 USER MOD Single : A 115 THR OG1 : rot -73:sc= 0.678 USER MOD Single : A 116 GLN : amide:sc= 0.151 K(o=0.15,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 86 N ASP A 8 -19.079 -7.537 -2.004 1.00 0.81 N ATOM 87 CA ASP A 8 -19.054 -6.518 -3.047 1.00 0.80 C ATOM 88 C ASP A 8 -18.069 -5.427 -2.659 1.00 0.67 C ATOM 89 O ASP A 8 -17.447 -4.797 -3.514 1.00 0.67 O ATOM 90 CB ASP A 8 -20.454 -5.927 -3.276 1.00 0.91 C ATOM 91 CG ASP A 8 -20.668 -4.591 -2.584 1.00 1.50 C ATOM 92 OD1 ASP A 8 -21.027 -4.579 -1.388 1.00 2.18 O ATOM 93 OD2 ASP A 8 -20.494 -3.543 -3.242 1.00 2.05 O ATOM 0 HA ASP A 8 -18.735 -6.978 -3.982 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -20.617 -5.803 -4.347 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -21.202 -6.636 -2.920 1.00 0.91 H new ATOM 98 N THR A 9 -17.923 -5.230 -1.357 1.00 0.62 N ATOM 99 CA THR A 9 -16.988 -4.265 -0.818 1.00 0.58 C ATOM 100 C THR A 9 -15.554 -4.702 -1.097 1.00 0.49 C ATOM 101 O THR A 9 -14.744 -3.930 -1.617 1.00 0.46 O ATOM 102 CB THR A 9 -17.199 -4.112 0.699 1.00 0.64 C ATOM 103 OG1 THR A 9 -18.578 -3.823 0.967 1.00 0.74 O ATOM 104 CG2 THR A 9 -16.322 -3.006 1.262 1.00 0.72 C ATOM 0 H THR A 9 -18.452 -5.737 -0.647 1.00 0.62 H new ATOM 0 HA THR A 9 -17.165 -3.305 -1.302 1.00 0.58 H new ATOM 0 HB THR A 9 -16.920 -5.048 1.182 1.00 0.64 H new ATOM 0 HG1 THR A 9 -18.871 -3.076 0.404 1.00 0.74 H new ATOM 0 HG21 THR A 9 -16.491 -2.919 2.335 1.00 0.72 H new ATOM 0 HG22 THR A 9 -15.274 -3.243 1.077 1.00 0.72 H new ATOM 0 HG23 THR A 9 -16.571 -2.062 0.778 1.00 0.72 H new ATOM 112 N ALA A 10 -15.259 -5.954 -0.762 1.00 0.51 N ATOM 113 CA ALA A 10 -13.934 -6.518 -0.971 1.00 0.50 C ATOM 114 C ALA A 10 -13.558 -6.523 -2.448 1.00 0.48 C ATOM 115 O ALA A 10 -12.452 -6.133 -2.815 1.00 0.45 O ATOM 116 CB ALA A 10 -13.869 -7.928 -0.407 1.00 0.60 C ATOM 0 H ALA A 10 -15.927 -6.600 -0.342 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.215 -5.889 -0.445 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.873 -8.339 -0.569 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -14.081 -7.902 0.662 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -14.606 -8.555 -0.908 1.00 0.60 H new ATOM 122 N ARG A 11 -14.493 -6.949 -3.291 1.00 0.54 N ATOM 123 CA ARG A 11 -14.237 -7.052 -4.724 1.00 0.59 C ATOM 124 C ARG A 11 -14.045 -5.667 -5.343 1.00 0.52 C ATOM 125 O ARG A 11 -13.267 -5.495 -6.283 1.00 0.52 O ATOM 126 CB ARG A 11 -15.381 -7.790 -5.426 1.00 0.74 C ATOM 127 CG ARG A 11 -15.087 -8.125 -6.880 1.00 1.02 C ATOM 128 CD ARG A 11 -16.273 -8.802 -7.552 1.00 1.21 C ATOM 129 NE ARG A 11 -15.933 -9.284 -8.890 1.00 1.97 N ATOM 130 CZ ARG A 11 -16.828 -9.647 -9.807 1.00 2.53 C ATOM 131 NH1 ARG A 11 -18.126 -9.563 -9.550 1.00 2.44 N ATOM 132 NH2 ARG A 11 -16.420 -10.089 -10.991 1.00 3.56 N ATOM 0 H ARG A 11 -15.432 -7.228 -3.008 1.00 0.54 H new ATOM 0 HA ARG A 11 -13.318 -7.622 -4.861 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -15.594 -8.712 -4.885 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -16.281 -7.177 -5.378 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -14.835 -7.212 -7.420 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -14.216 -8.778 -6.934 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -16.611 -9.638 -6.939 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -17.104 -8.099 -7.618 1.00 1.21 H new ATOM 0 HE ARG A 11 -14.945 -9.346 -9.137 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -18.445 -9.218 -8.645 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -18.805 -9.843 -10.258 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -15.423 -10.150 -11.197 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -17.104 -10.368 -11.695 1.00 3.56 H new ATOM 146 N ARG A 12 -14.762 -4.685 -4.809 1.00 0.51 N ATOM 147 CA ARG A 12 -14.687 -3.318 -5.309 1.00 0.51 C ATOM 148 C ARG A 12 -13.299 -2.736 -5.075 1.00 0.42 C ATOM 149 O ARG A 12 -12.688 -2.181 -5.986 1.00 0.41 O ATOM 150 CB ARG A 12 -15.733 -2.443 -4.620 1.00 0.57 C ATOM 151 CG ARG A 12 -15.937 -1.092 -5.285 1.00 1.31 C ATOM 152 CD ARG A 12 -16.917 -0.230 -4.507 1.00 1.38 C ATOM 153 NE ARG A 12 -18.186 -0.917 -4.263 1.00 2.05 N ATOM 154 CZ ARG A 12 -19.376 -0.320 -4.298 1.00 2.50 C ATOM 155 NH1 ARG A 12 -19.470 0.967 -4.616 1.00 2.39 N ATOM 156 NH2 ARG A 12 -20.473 -1.014 -4.023 1.00 3.49 N ATOM 0 H ARG A 12 -15.404 -4.811 -4.027 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.885 -3.337 -6.381 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -16.684 -2.976 -4.602 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.436 -2.286 -3.583 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -14.980 -0.576 -5.364 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -16.305 -1.237 -6.301 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -16.471 0.054 -3.554 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -17.105 0.691 -5.058 1.00 1.38 H new ATOM 0 HE ARG A 12 -18.157 -1.915 -4.053 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -18.629 1.501 -4.834 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -20.383 1.421 -4.642 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -20.404 -2.003 -3.785 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -21.385 -0.558 -4.049 1.00 3.49 H new ATOM 170 N PHE A 13 -12.802 -2.872 -3.851 1.00 0.40 N ATOM 171 CA PHE A 13 -11.478 -2.365 -3.510 1.00 0.37 C ATOM 172 C PHE A 13 -10.415 -3.102 -4.317 1.00 0.33 C ATOM 173 O PHE A 13 -9.474 -2.494 -4.825 1.00 0.33 O ATOM 174 CB PHE A 13 -11.218 -2.516 -2.005 1.00 0.41 C ATOM 175 CG PHE A 13 -9.888 -1.971 -1.553 1.00 0.41 C ATOM 176 CD1 PHE A 13 -9.712 -0.611 -1.348 1.00 0.43 C ATOM 177 CD2 PHE A 13 -8.815 -2.820 -1.330 1.00 0.46 C ATOM 178 CE1 PHE A 13 -8.492 -0.110 -0.932 1.00 0.48 C ATOM 179 CE2 PHE A 13 -7.594 -2.324 -0.913 1.00 0.51 C ATOM 180 CZ PHE A 13 -7.433 -0.967 -0.715 1.00 0.50 C ATOM 0 H PHE A 13 -13.293 -3.327 -3.081 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.431 -1.305 -3.758 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -12.012 -2.008 -1.457 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -11.274 -3.572 -1.742 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -10.537 0.065 -1.515 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -8.935 -3.882 -1.484 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -8.368 0.952 -0.777 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -6.767 -2.997 -0.742 1.00 0.51 H new ATOM 0 HZ PHE A 13 -6.479 -0.577 -0.391 1.00 0.50 H new ATOM 190 N ASP A 14 -10.612 -4.408 -4.447 1.00 0.35 N ATOM 191 CA ASP A 14 -9.715 -5.288 -5.196 1.00 0.37 C ATOM 192 C ASP A 14 -9.481 -4.789 -6.622 1.00 0.34 C ATOM 193 O ASP A 14 -8.351 -4.778 -7.110 1.00 0.37 O ATOM 194 CB ASP A 14 -10.322 -6.697 -5.228 1.00 0.47 C ATOM 195 CG ASP A 14 -9.513 -7.701 -6.026 1.00 0.58 C ATOM 196 OD1 ASP A 14 -9.547 -7.638 -7.272 1.00 0.65 O ATOM 197 OD2 ASP A 14 -8.794 -8.520 -5.416 1.00 0.87 O ATOM 0 H ASP A 14 -11.407 -4.894 -4.032 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.746 -5.299 -4.696 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -10.425 -7.060 -4.205 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -11.326 -6.639 -5.648 1.00 0.47 H new ATOM 202 N THR A 15 -10.548 -4.354 -7.274 1.00 0.33 N ATOM 203 CA THR A 15 -10.484 -4.030 -8.690 1.00 0.34 C ATOM 204 C THR A 15 -10.402 -2.529 -8.961 1.00 0.33 C ATOM 205 O THR A 15 -9.716 -2.098 -9.890 1.00 0.37 O ATOM 206 CB THR A 15 -11.695 -4.612 -9.436 1.00 0.39 C ATOM 207 OG1 THR A 15 -12.909 -4.259 -8.758 1.00 1.51 O ATOM 208 CG2 THR A 15 -11.585 -6.123 -9.546 1.00 1.34 C ATOM 0 H THR A 15 -11.464 -4.218 -6.848 1.00 0.33 H new ATOM 0 HA THR A 15 -9.563 -4.481 -9.058 1.00 0.34 H new ATOM 0 HB THR A 15 -11.711 -4.192 -10.442 1.00 0.39 H new ATOM 0 HG1 THR A 15 -12.995 -4.794 -7.942 1.00 1.51 H new ATOM 0 HG21 THR A 15 -12.453 -6.513 -10.078 1.00 1.34 H new ATOM 0 HG22 THR A 15 -10.678 -6.383 -10.092 1.00 1.34 H new ATOM 0 HG23 THR A 15 -11.545 -6.559 -8.548 1.00 1.34 H new ATOM 216 N GLU A 16 -11.102 -1.731 -8.170 1.00 0.33 N ATOM 217 CA GLU A 16 -11.220 -0.309 -8.460 1.00 0.39 C ATOM 218 C GLU A 16 -10.137 0.522 -7.771 1.00 0.37 C ATOM 219 O GLU A 16 -9.541 1.403 -8.390 1.00 0.46 O ATOM 220 CB GLU A 16 -12.605 0.196 -8.052 1.00 0.48 C ATOM 221 CG GLU A 16 -12.973 1.522 -8.689 1.00 0.60 C ATOM 222 CD GLU A 16 -13.047 1.424 -10.197 1.00 1.15 C ATOM 223 OE1 GLU A 16 -14.116 1.053 -10.722 1.00 1.27 O ATOM 224 OE2 GLU A 16 -12.028 1.692 -10.867 1.00 1.81 O ATOM 0 H GLU A 16 -11.593 -2.039 -7.330 1.00 0.33 H new ATOM 0 HA GLU A 16 -11.084 -0.188 -9.535 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -13.351 -0.550 -8.326 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.641 0.300 -6.968 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -13.934 1.857 -8.300 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -12.236 2.275 -8.410 1.00 0.60 H new ATOM 231 N PHE A 17 -9.865 0.241 -6.505 1.00 0.31 N ATOM 232 CA PHE A 17 -8.992 1.111 -5.720 1.00 0.32 C ATOM 233 C PHE A 17 -7.562 0.580 -5.627 1.00 0.30 C ATOM 234 O PHE A 17 -6.610 1.333 -5.820 1.00 0.33 O ATOM 235 CB PHE A 17 -9.566 1.327 -4.317 1.00 0.37 C ATOM 236 CG PHE A 17 -10.866 2.093 -4.304 1.00 0.42 C ATOM 237 CD1 PHE A 17 -12.078 1.450 -4.527 1.00 0.43 C ATOM 238 CD2 PHE A 17 -10.876 3.461 -4.070 1.00 0.64 C ATOM 239 CE1 PHE A 17 -13.267 2.156 -4.514 1.00 0.48 C ATOM 240 CE2 PHE A 17 -12.062 4.170 -4.055 1.00 0.72 C ATOM 241 CZ PHE A 17 -13.258 3.517 -4.277 1.00 0.57 C ATOM 0 H PHE A 17 -10.228 -0.569 -6.003 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.948 2.066 -6.244 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.721 0.357 -3.845 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.833 1.862 -3.713 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -12.091 0.386 -4.713 1.00 0.43 H new ATOM 0 HD2 PHE A 17 -9.944 3.979 -3.897 1.00 0.64 H new ATOM 0 HE1 PHE A 17 -14.202 1.644 -4.689 1.00 0.48 H new ATOM 0 HE2 PHE A 17 -12.053 5.234 -3.870 1.00 0.72 H new ATOM 0 HZ PHE A 17 -14.186 4.070 -4.265 1.00 0.57 H new ATOM 251 N ALA A 18 -7.409 -0.709 -5.340 1.00 0.29 N ATOM 252 CA ALA A 18 -6.086 -1.300 -5.135 1.00 0.30 C ATOM 253 C ALA A 18 -5.127 -1.055 -6.316 1.00 0.29 C ATOM 254 O ALA A 18 -3.992 -0.629 -6.098 1.00 0.30 O ATOM 255 CB ALA A 18 -6.200 -2.786 -4.817 1.00 0.32 C ATOM 0 H ALA A 18 -8.183 -1.366 -5.244 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.647 -0.792 -4.276 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -5.204 -3.204 -4.669 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.789 -2.920 -3.909 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.689 -3.299 -5.645 1.00 0.32 H new ATOM 261 N PRO A 19 -5.546 -1.307 -7.583 1.00 0.30 N ATOM 262 CA PRO A 19 -4.687 -1.059 -8.756 1.00 0.32 C ATOM 263 C PRO A 19 -4.252 0.401 -8.871 1.00 0.31 C ATOM 264 O PRO A 19 -3.187 0.703 -9.416 1.00 0.32 O ATOM 265 CB PRO A 19 -5.578 -1.439 -9.943 1.00 0.37 C ATOM 266 CG PRO A 19 -6.569 -2.383 -9.371 1.00 0.35 C ATOM 267 CD PRO A 19 -6.848 -1.872 -7.990 1.00 0.31 C ATOM 0 HA PRO A 19 -3.759 -1.628 -8.698 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -6.065 -0.563 -10.371 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -5.000 -1.905 -10.741 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.478 -2.411 -9.972 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -6.174 -3.399 -9.343 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.635 -1.118 -7.989 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -7.170 -2.670 -7.321 1.00 0.31 H new ATOM 275 N ARG A 20 -5.077 1.300 -8.345 1.00 0.32 N ATOM 276 CA ARG A 20 -4.773 2.726 -8.366 1.00 0.35 C ATOM 277 C ARG A 20 -3.627 3.032 -7.414 1.00 0.30 C ATOM 278 O ARG A 20 -2.756 3.850 -7.715 1.00 0.31 O ATOM 279 CB ARG A 20 -6.009 3.550 -7.984 1.00 0.43 C ATOM 280 CG ARG A 20 -7.031 3.677 -9.103 1.00 1.07 C ATOM 281 CD ARG A 20 -6.659 4.786 -10.077 1.00 1.40 C ATOM 282 NE ARG A 20 -6.918 6.117 -9.520 1.00 1.95 N ATOM 283 CZ ARG A 20 -6.135 7.180 -9.710 1.00 2.73 C ATOM 284 NH1 ARG A 20 -4.987 7.063 -10.362 1.00 3.15 N ATOM 285 NH2 ARG A 20 -6.495 8.362 -9.226 1.00 3.58 N ATOM 0 H ARG A 20 -5.963 1.066 -7.898 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.476 2.999 -9.379 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.487 3.091 -7.118 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -5.690 4.547 -7.681 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -7.104 2.731 -9.639 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -8.014 3.880 -8.678 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -5.604 4.701 -10.337 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -7.226 4.663 -11.000 1.00 1.40 H new ATOM 0 HE ARG A 20 -7.754 6.239 -8.948 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -4.696 6.155 -10.723 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -4.395 7.881 -10.503 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -7.369 8.457 -8.709 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -5.897 9.176 -9.370 1.00 3.58 H new ATOM 299 N ILE A 21 -3.622 2.348 -6.279 1.00 0.28 N ATOM 300 CA ILE A 21 -2.593 2.550 -5.271 1.00 0.28 C ATOM 301 C ILE A 21 -1.255 2.028 -5.773 1.00 0.24 C ATOM 302 O ILE A 21 -0.237 2.715 -5.698 1.00 0.25 O ATOM 303 CB ILE A 21 -2.941 1.825 -3.951 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.357 2.183 -3.494 1.00 0.35 C ATOM 305 CG2 ILE A 21 -1.930 2.187 -2.868 1.00 0.33 C ATOM 306 CD1 ILE A 21 -4.839 1.383 -2.297 1.00 0.38 C ATOM 0 H ILE A 21 -4.321 1.647 -6.033 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.533 3.622 -5.081 1.00 0.28 H new ATOM 0 HB ILE A 21 -2.898 0.750 -4.128 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.391 3.244 -3.247 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -5.046 2.027 -4.324 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.186 1.670 -1.943 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -0.932 1.887 -3.187 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -1.948 3.264 -2.699 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -5.850 1.695 -2.034 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -4.840 0.322 -2.545 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.174 1.558 -1.451 1.00 0.38 H new ATOM 318 N ALA A 22 -1.278 0.815 -6.312 1.00 0.23 N ATOM 319 CA ALA A 22 -0.063 0.144 -6.755 1.00 0.23 C ATOM 320 C ALA A 22 0.638 0.908 -7.870 1.00 0.24 C ATOM 321 O ALA A 22 1.856 1.072 -7.839 1.00 0.28 O ATOM 322 CB ALA A 22 -0.382 -1.269 -7.207 1.00 0.25 C ATOM 0 H ALA A 22 -2.131 0.273 -6.453 1.00 0.23 H new ATOM 0 HA ALA A 22 0.620 0.108 -5.906 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.533 -1.761 -7.536 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.816 -1.827 -6.377 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -1.093 -1.235 -8.033 1.00 0.25 H new ATOM 328 N ARG A 23 -0.131 1.375 -8.847 1.00 0.27 N ATOM 329 CA ARG A 23 0.442 2.082 -9.986 1.00 0.34 C ATOM 330 C ARG A 23 0.956 3.455 -9.567 1.00 0.30 C ATOM 331 O ARG A 23 1.955 3.943 -10.100 1.00 0.31 O ATOM 332 CB ARG A 23 -0.588 2.230 -11.107 1.00 0.47 C ATOM 333 CG ARG A 23 0.016 2.697 -12.424 1.00 1.16 C ATOM 334 CD ARG A 23 -1.048 2.904 -13.487 1.00 1.33 C ATOM 335 NE ARG A 23 -1.929 4.027 -13.167 1.00 1.85 N ATOM 336 CZ ARG A 23 -3.226 4.072 -13.477 1.00 2.38 C ATOM 337 NH1 ARG A 23 -3.798 3.054 -14.112 1.00 2.41 N ATOM 338 NH2 ARG A 23 -3.948 5.141 -13.158 1.00 3.36 N ATOM 0 H ARG A 23 -1.146 1.278 -8.874 1.00 0.27 H new ATOM 0 HA ARG A 23 1.281 1.493 -10.358 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -1.085 1.272 -11.263 1.00 0.47 H new ATOM 0 HB3 ARG A 23 -1.354 2.940 -10.795 1.00 0.47 H new ATOM 0 HG2 ARG A 23 0.558 3.629 -12.265 1.00 1.16 H new ATOM 0 HG3 ARG A 23 0.741 1.962 -12.773 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -0.569 3.081 -14.450 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -1.641 1.995 -13.589 1.00 1.33 H new ATOM 0 HE ARG A 23 -1.527 4.826 -12.676 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -3.245 2.235 -14.364 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -4.790 3.092 -14.347 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -3.511 5.927 -12.676 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -4.940 5.176 -13.395 1.00 3.36 H new ATOM 352 N ALA A 24 0.278 4.070 -8.604 1.00 0.29 N ATOM 353 CA ALA A 24 0.680 5.377 -8.104 1.00 0.31 C ATOM 354 C ALA A 24 2.017 5.285 -7.380 1.00 0.29 C ATOM 355 O ALA A 24 2.918 6.094 -7.610 1.00 0.31 O ATOM 356 CB ALA A 24 -0.386 5.947 -7.182 1.00 0.35 C ATOM 0 H ALA A 24 -0.552 3.683 -8.155 1.00 0.29 H new ATOM 0 HA ALA A 24 0.795 6.049 -8.955 1.00 0.31 H new ATOM 0 HB1 ALA A 24 -0.068 6.924 -6.818 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.323 6.051 -7.729 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.533 5.275 -6.336 1.00 0.35 H new ATOM 362 N ILE A 25 2.140 4.287 -6.513 1.00 0.27 N ATOM 363 CA ILE A 25 3.375 4.057 -5.779 1.00 0.30 C ATOM 364 C ILE A 25 4.505 3.673 -6.734 1.00 0.30 C ATOM 365 O ILE A 25 5.640 4.126 -6.585 1.00 0.33 O ATOM 366 CB ILE A 25 3.200 2.948 -4.717 1.00 0.33 C ATOM 367 CG1 ILE A 25 2.114 3.339 -3.708 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.518 2.684 -4.002 1.00 0.39 C ATOM 369 CD1 ILE A 25 1.850 2.280 -2.658 1.00 1.05 C ATOM 0 H ILE A 25 1.395 3.623 -6.302 1.00 0.27 H new ATOM 0 HA ILE A 25 3.631 4.987 -5.272 1.00 0.30 H new ATOM 0 HB ILE A 25 2.890 2.033 -5.222 1.00 0.33 H new ATOM 0 HG12 ILE A 25 2.407 4.265 -3.212 1.00 0.36 H new ATOM 0 HG13 ILE A 25 1.188 3.544 -4.245 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.377 1.900 -3.257 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.268 2.366 -4.727 1.00 0.39 H new ATOM 0 HG23 ILE A 25 4.854 3.597 -3.509 1.00 0.39 H new ATOM 0 HD11 ILE A 25 1.070 2.627 -1.980 1.00 1.05 H new ATOM 0 HD12 ILE A 25 1.526 1.359 -3.143 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.764 2.091 -2.094 1.00 1.05 H new ATOM 381 N ALA A 26 4.176 2.852 -7.725 1.00 0.31 N ATOM 382 CA ALA A 26 5.151 2.407 -8.713 1.00 0.36 C ATOM 383 C ALA A 26 5.752 3.592 -9.458 1.00 0.38 C ATOM 384 O ALA A 26 6.964 3.661 -9.657 1.00 0.40 O ATOM 385 CB ALA A 26 4.510 1.433 -9.690 1.00 0.42 C ATOM 0 H ALA A 26 3.237 2.480 -7.865 1.00 0.31 H new ATOM 0 HA ALA A 26 5.957 1.894 -8.188 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.251 1.110 -10.421 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.135 0.566 -9.146 1.00 0.42 H new ATOM 0 HB3 ALA A 26 3.684 1.924 -10.204 1.00 0.42 H new ATOM 391 N ASP A 27 4.900 4.530 -9.849 1.00 0.40 N ATOM 392 CA ASP A 27 5.344 5.731 -10.551 1.00 0.47 C ATOM 393 C ASP A 27 6.160 6.627 -9.629 1.00 0.45 C ATOM 394 O ASP A 27 7.134 7.251 -10.053 1.00 0.48 O ATOM 395 CB ASP A 27 4.139 6.502 -11.099 1.00 0.56 C ATOM 396 CG ASP A 27 4.509 7.886 -11.604 1.00 0.72 C ATOM 397 OD1 ASP A 27 5.088 7.982 -12.703 1.00 0.86 O ATOM 398 OD2 ASP A 27 4.228 8.884 -10.904 1.00 0.80 O ATOM 0 H ASP A 27 3.893 4.484 -9.692 1.00 0.40 H new ATOM 0 HA ASP A 27 5.978 5.424 -11.383 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.687 5.932 -11.911 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.386 6.595 -10.317 1.00 0.56 H new ATOM 403 N LEU A 28 5.774 6.656 -8.361 1.00 0.42 N ATOM 404 CA LEU A 28 6.435 7.497 -7.372 1.00 0.46 C ATOM 405 C LEU A 28 7.856 7.005 -7.121 1.00 0.44 C ATOM 406 O LEU A 28 8.771 7.796 -6.894 1.00 0.49 O ATOM 407 CB LEU A 28 5.635 7.495 -6.065 1.00 0.49 C ATOM 408 CG LEU A 28 6.243 8.299 -4.911 1.00 0.90 C ATOM 409 CD1 LEU A 28 6.303 9.780 -5.255 1.00 1.69 C ATOM 410 CD2 LEU A 28 5.444 8.080 -3.633 1.00 1.44 C ATOM 0 H LEU A 28 5.001 6.103 -7.991 1.00 0.42 H new ATOM 0 HA LEU A 28 6.484 8.516 -7.755 1.00 0.46 H new ATOM 0 HB2 LEU A 28 4.638 7.886 -6.270 1.00 0.49 H new ATOM 0 HB3 LEU A 28 5.511 6.463 -5.738 1.00 0.49 H new ATOM 0 HG LEU A 28 7.262 7.947 -4.749 1.00 0.90 H new ATOM 0 HD11 LEU A 28 6.738 10.330 -4.421 1.00 1.69 H new ATOM 0 HD12 LEU A 28 6.918 9.922 -6.144 1.00 1.69 H new ATOM 0 HD13 LEU A 28 5.296 10.150 -5.448 1.00 1.69 H new ATOM 0 HD21 LEU A 28 5.888 8.658 -2.823 1.00 1.44 H new ATOM 0 HD22 LEU A 28 4.415 8.404 -3.787 1.00 1.44 H new ATOM 0 HD23 LEU A 28 5.456 7.022 -3.373 1.00 1.44 H new ATOM 422 N LEU A 29 8.035 5.692 -7.177 1.00 0.40 N ATOM 423 CA LEU A 29 9.340 5.088 -6.958 1.00 0.41 C ATOM 424 C LEU A 29 10.037 4.821 -8.289 1.00 0.44 C ATOM 425 O LEU A 29 11.020 4.080 -8.348 1.00 0.48 O ATOM 426 CB LEU A 29 9.193 3.783 -6.168 1.00 0.38 C ATOM 427 CG LEU A 29 8.473 3.912 -4.823 1.00 0.39 C ATOM 428 CD1 LEU A 29 8.351 2.554 -4.149 1.00 0.41 C ATOM 429 CD2 LEU A 29 9.195 4.895 -3.911 1.00 0.49 C ATOM 0 H LEU A 29 7.290 5.024 -7.373 1.00 0.40 H new ATOM 0 HA LEU A 29 9.950 5.783 -6.381 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.653 3.064 -6.783 1.00 0.38 H new ATOM 0 HB3 LEU A 29 10.186 3.370 -5.992 1.00 0.38 H new ATOM 0 HG LEU A 29 7.471 4.297 -5.013 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.837 2.666 -3.195 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.783 1.879 -4.790 1.00 0.41 H new ATOM 0 HD13 LEU A 29 9.346 2.142 -3.979 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.664 4.969 -2.962 1.00 0.49 H new ATOM 0 HD22 LEU A 29 10.212 4.545 -3.731 1.00 0.49 H new ATOM 0 HD23 LEU A 29 9.227 5.876 -4.386 1.00 0.49 H new ATOM 441 N ASN A 30 9.497 5.418 -9.354 1.00 0.45 N ATOM 442 CA ASN A 30 10.069 5.325 -10.701 1.00 0.51 C ATOM 443 C ASN A 30 10.289 3.876 -11.128 1.00 0.49 C ATOM 444 O ASN A 30 11.243 3.569 -11.845 1.00 0.55 O ATOM 445 CB ASN A 30 11.389 6.103 -10.784 1.00 0.60 C ATOM 446 CG ASN A 30 11.201 7.596 -10.595 1.00 0.79 C ATOM 447 OD1 ASN A 30 11.233 8.099 -9.472 1.00 1.36 O ATOM 448 ND2 ASN A 30 11.017 8.316 -11.691 1.00 1.44 N ATOM 0 H ASN A 30 8.648 5.981 -9.307 1.00 0.45 H new ATOM 0 HA ASN A 30 9.348 5.769 -11.387 1.00 0.51 H new ATOM 0 HB2 ASN A 30 12.075 5.728 -10.025 1.00 0.60 H new ATOM 0 HB3 ASN A 30 11.854 5.919 -11.752 1.00 0.60 H new ATOM 0 HD21 ASN A 30 10.895 9.326 -11.623 1.00 1.44 H new ATOM 0 HD22 ASN A 30 10.997 7.860 -12.603 1.00 1.44 H new ATOM 455 N HIS A 31 9.396 2.994 -10.678 1.00 0.46 N ATOM 456 CA HIS A 31 9.467 1.565 -10.993 1.00 0.50 C ATOM 457 C HIS A 31 10.798 0.942 -10.571 1.00 0.55 C ATOM 458 O HIS A 31 11.221 -0.065 -11.137 1.00 0.67 O ATOM 459 CB HIS A 31 9.233 1.318 -12.490 1.00 0.60 C ATOM 460 CG HIS A 31 7.794 1.390 -12.908 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.320 2.306 -13.819 1.00 1.25 N ATOM 462 CD2 HIS A 31 6.726 0.632 -12.556 1.00 1.11 C ATOM 463 CE1 HIS A 31 6.029 2.113 -14.009 1.00 1.16 C ATOM 464 NE2 HIS A 31 5.643 1.103 -13.256 1.00 0.94 N ATOM 0 H HIS A 31 8.605 3.248 -10.086 1.00 0.46 H new ATOM 0 HA HIS A 31 8.675 1.083 -10.420 1.00 0.50 H new ATOM 0 HB2 HIS A 31 9.803 2.051 -13.061 1.00 0.60 H new ATOM 0 HB3 HIS A 31 9.627 0.335 -12.750 1.00 0.60 H new ATOM 0 HD2 HIS A 31 6.727 -0.190 -11.855 1.00 1.11 H new ATOM 0 HE1 HIS A 31 5.396 2.686 -14.670 1.00 1.16 H new ATOM 0 HE2 HIS A 31 4.695 0.732 -13.202 1.00 0.94 H new ATOM 473 N ARG A 32 11.460 1.534 -9.582 1.00 0.53 N ATOM 474 CA ARG A 32 12.702 0.972 -9.065 1.00 0.61 C ATOM 475 C ARG A 32 12.394 -0.059 -7.991 1.00 0.56 C ATOM 476 O ARG A 32 13.238 -0.877 -7.628 1.00 0.66 O ATOM 477 CB ARG A 32 13.613 2.072 -8.514 1.00 0.71 C ATOM 478 CG ARG A 32 14.099 3.049 -9.574 1.00 0.81 C ATOM 479 CD ARG A 32 14.875 2.342 -10.678 1.00 1.64 C ATOM 480 NE ARG A 32 16.085 1.689 -10.175 1.00 2.26 N ATOM 481 CZ ARG A 32 16.547 0.517 -10.617 1.00 3.24 C ATOM 482 NH1 ARG A 32 15.877 -0.169 -11.537 1.00 3.73 N ATOM 483 NH2 ARG A 32 17.681 0.027 -10.129 1.00 4.08 N ATOM 0 H ARG A 32 11.160 2.396 -9.126 1.00 0.53 H new ATOM 0 HA ARG A 32 13.230 0.482 -9.883 1.00 0.61 H new ATOM 0 HB2 ARG A 32 13.076 2.624 -7.742 1.00 0.71 H new ATOM 0 HB3 ARG A 32 14.476 1.611 -8.034 1.00 0.71 H new ATOM 0 HG2 ARG A 32 13.246 3.571 -10.006 1.00 0.81 H new ATOM 0 HG3 ARG A 32 14.733 3.804 -9.110 1.00 0.81 H new ATOM 0 HD2 ARG A 32 14.234 1.599 -11.151 1.00 1.64 H new ATOM 0 HD3 ARG A 32 15.148 3.064 -11.448 1.00 1.64 H new ATOM 0 HE ARG A 32 16.610 2.161 -9.438 1.00 2.26 H new ATOM 0 HH11 ARG A 32 15.002 0.199 -11.911 1.00 3.73 H new ATOM 0 HH12 ARG A 32 16.237 -1.064 -11.869 1.00 3.73 H new ATOM 0 HH21 ARG A 32 18.197 0.546 -9.418 1.00 4.08 H new ATOM 0 HH22 ARG A 32 18.036 -0.868 -10.465 1.00 4.08 H new ATOM 497 N ALA A 33 11.172 -0.004 -7.490 1.00 0.48 N ATOM 498 CA ALA A 33 10.665 -1.007 -6.576 1.00 0.45 C ATOM 499 C ALA A 33 9.389 -1.598 -7.152 1.00 0.43 C ATOM 500 O ALA A 33 8.584 -0.881 -7.749 1.00 0.49 O ATOM 501 CB ALA A 33 10.408 -0.403 -5.204 1.00 0.49 C ATOM 0 H ALA A 33 10.506 0.737 -7.706 1.00 0.48 H new ATOM 0 HA ALA A 33 11.407 -1.796 -6.454 1.00 0.45 H new ATOM 0 HB1 ALA A 33 10.028 -1.173 -4.533 1.00 0.49 H new ATOM 0 HB2 ALA A 33 11.338 -0.000 -4.804 1.00 0.49 H new ATOM 0 HB3 ALA A 33 9.673 0.398 -5.291 1.00 0.49 H new ATOM 507 N HIS A 34 9.212 -2.898 -6.989 1.00 0.39 N ATOM 508 CA HIS A 34 8.071 -3.584 -7.572 1.00 0.41 C ATOM 509 C HIS A 34 6.893 -3.577 -6.611 1.00 0.36 C ATOM 510 O HIS A 34 7.003 -4.034 -5.479 1.00 0.34 O ATOM 511 CB HIS A 34 8.443 -5.030 -7.942 1.00 0.48 C ATOM 512 CG HIS A 34 7.292 -5.834 -8.480 1.00 0.59 C ATOM 513 ND1 HIS A 34 6.852 -5.745 -9.783 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.482 -6.737 -7.873 1.00 0.63 C ATOM 515 CE1 HIS A 34 5.822 -6.555 -9.955 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.579 -7.168 -8.813 1.00 0.80 N ATOM 0 H HIS A 34 9.843 -3.499 -6.459 1.00 0.39 H new ATOM 0 HA HIS A 34 7.782 -3.054 -8.479 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.240 -5.011 -8.685 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.842 -5.530 -7.059 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.537 -7.057 -6.843 1.00 0.63 H new ATOM 0 HE1 HIS A 34 5.273 -6.692 -10.875 1.00 0.89 H new ATOM 0 HE2 HIS A 34 4.839 -7.852 -8.654 1.00 0.80 H new ATOM 525 N THR A 35 5.767 -3.072 -7.075 1.00 0.38 N ATOM 526 CA THR A 35 4.560 -3.060 -6.275 1.00 0.36 C ATOM 527 C THR A 35 3.547 -4.023 -6.865 1.00 0.39 C ATOM 528 O THR A 35 3.398 -4.106 -8.086 1.00 0.45 O ATOM 529 CB THR A 35 3.959 -1.644 -6.198 1.00 0.41 C ATOM 530 OG1 THR A 35 3.723 -1.133 -7.518 1.00 0.49 O ATOM 531 CG2 THR A 35 4.899 -0.711 -5.458 1.00 0.41 C ATOM 0 H THR A 35 5.664 -2.664 -8.004 1.00 0.38 H new ATOM 0 HA THR A 35 4.815 -3.374 -5.263 1.00 0.36 H new ATOM 0 HB THR A 35 3.013 -1.702 -5.659 1.00 0.41 H new ATOM 0 HG1 THR A 35 3.075 -0.399 -7.474 1.00 0.49 H new ATOM 0 HG21 THR A 35 4.460 0.286 -5.412 1.00 0.41 H new ATOM 0 HG22 THR A 35 5.060 -1.084 -4.446 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.853 -0.664 -5.983 1.00 0.41 H new ATOM 539 N ASP A 36 2.870 -4.770 -6.014 1.00 0.38 N ATOM 540 CA ASP A 36 1.938 -5.777 -6.490 1.00 0.44 C ATOM 541 C ASP A 36 0.678 -5.797 -5.643 1.00 0.39 C ATOM 542 O ASP A 36 0.741 -5.744 -4.411 1.00 0.47 O ATOM 543 CB ASP A 36 2.592 -7.161 -6.491 1.00 0.56 C ATOM 544 CG ASP A 36 1.733 -8.202 -7.178 1.00 0.92 C ATOM 545 OD1 ASP A 36 1.597 -8.140 -8.416 1.00 1.07 O ATOM 546 OD2 ASP A 36 1.198 -9.091 -6.485 1.00 1.56 O ATOM 0 H ASP A 36 2.946 -4.701 -4.999 1.00 0.38 H new ATOM 0 HA ASP A 36 1.662 -5.518 -7.512 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.559 -7.103 -6.991 1.00 0.56 H new ATOM 0 HB3 ASP A 36 2.783 -7.471 -5.464 1.00 0.56 H new ATOM 551 N VAL A 37 -0.459 -5.846 -6.314 1.00 0.37 N ATOM 552 CA VAL A 37 -1.743 -5.918 -5.645 1.00 0.37 C ATOM 553 C VAL A 37 -2.104 -7.359 -5.320 1.00 0.36 C ATOM 554 O VAL A 37 -2.456 -8.141 -6.207 1.00 0.48 O ATOM 555 CB VAL A 37 -2.869 -5.299 -6.501 1.00 0.44 C ATOM 556 CG1 VAL A 37 -4.227 -5.491 -5.836 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.607 -3.825 -6.750 1.00 0.54 C ATOM 0 H VAL A 37 -0.517 -5.837 -7.332 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.650 -5.346 -4.722 1.00 0.37 H new ATOM 0 HB VAL A 37 -2.882 -5.815 -7.461 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -5.003 -5.046 -6.459 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.425 -6.556 -5.714 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -4.225 -5.008 -4.859 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -3.413 -3.409 -7.355 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -2.560 -3.298 -5.797 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.660 -3.708 -7.277 1.00 0.54 H new ATOM 567 N VAL A 38 -1.984 -7.708 -4.053 1.00 0.34 N ATOM 568 CA VAL A 38 -2.470 -8.984 -3.570 1.00 0.36 C ATOM 569 C VAL A 38 -3.990 -8.946 -3.541 1.00 0.42 C ATOM 570 O VAL A 38 -4.583 -8.227 -2.735 1.00 0.46 O ATOM 571 CB VAL A 38 -1.935 -9.305 -2.161 1.00 0.39 C ATOM 572 CG1 VAL A 38 -2.432 -10.658 -1.683 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.418 -9.257 -2.137 1.00 0.46 C ATOM 0 H VAL A 38 -1.552 -7.122 -3.338 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.115 -9.765 -4.242 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.315 -8.544 -1.479 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -2.039 -10.859 -0.686 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -3.521 -10.654 -1.650 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.093 -11.434 -2.370 1.00 0.45 H new ATOM 0 HG21 VAL A 38 -0.063 -9.487 -1.133 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.020 -9.989 -2.839 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.081 -8.260 -2.422 1.00 0.46 H new ATOM 583 N GLY A 39 -4.609 -9.686 -4.446 1.00 0.58 N ATOM 584 CA GLY A 39 -6.048 -9.662 -4.563 1.00 0.74 C ATOM 585 C GLY A 39 -6.731 -10.355 -3.407 1.00 0.69 C ATOM 586 O GLY A 39 -6.081 -11.025 -2.602 1.00 0.84 O ATOM 0 H GLY A 39 -4.136 -10.306 -5.104 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.388 -8.628 -4.616 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -6.342 -10.142 -5.496 1.00 0.74 H new ATOM 682 N THR A 47 -7.218 -7.926 0.479 1.00 0.89 N ATOM 683 CA THR A 47 -6.530 -7.163 -0.548 1.00 0.62 C ATOM 684 C THR A 47 -5.525 -6.198 0.077 1.00 0.51 C ATOM 685 O THR A 47 -5.844 -5.478 1.026 1.00 0.59 O ATOM 686 CB THR A 47 -7.539 -6.365 -1.396 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.622 -7.221 -1.786 1.00 0.76 O ATOM 688 CG2 THR A 47 -6.876 -5.784 -2.642 1.00 0.55 C ATOM 0 HA THR A 47 -5.999 -7.868 -1.187 1.00 0.62 H new ATOM 0 HB THR A 47 -7.915 -5.540 -0.791 1.00 0.62 H new ATOM 0 HG1 THR A 47 -8.821 -7.849 -1.060 1.00 0.76 H new ATOM 0 HG21 THR A 47 -7.613 -5.227 -3.220 1.00 0.55 H new ATOM 0 HG22 THR A 47 -6.067 -5.117 -2.346 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.474 -6.594 -3.251 1.00 0.55 H new ATOM 696 N GLN A 48 -4.318 -6.184 -0.467 1.00 0.40 N ATOM 697 CA GLN A 48 -3.239 -5.376 0.075 1.00 0.36 C ATOM 698 C GLN A 48 -2.217 -5.083 -1.008 1.00 0.33 C ATOM 699 O GLN A 48 -2.025 -5.885 -1.921 1.00 0.40 O ATOM 700 CB GLN A 48 -2.568 -6.109 1.239 1.00 0.36 C ATOM 701 CG GLN A 48 -2.061 -7.493 0.865 1.00 0.39 C ATOM 702 CD GLN A 48 -1.520 -8.270 2.046 1.00 0.49 C ATOM 703 OE1 GLN A 48 -0.329 -8.204 2.358 1.00 1.06 O ATOM 704 NE2 GLN A 48 -2.387 -9.025 2.705 1.00 1.04 N ATOM 0 H GLN A 48 -4.061 -6.728 -1.290 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.652 -4.435 0.439 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.734 -5.510 1.604 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.279 -6.200 2.061 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.873 -8.059 0.407 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.278 -7.395 0.113 1.00 0.39 H new ATOM 0 HE21 GLN A 48 -3.364 -9.051 2.414 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -2.077 -9.580 3.503 1.00 1.04 H new ATOM 713 N VAL A 49 -1.565 -3.941 -0.919 1.00 0.29 N ATOM 714 CA VAL A 49 -0.517 -3.617 -1.862 1.00 0.29 C ATOM 715 C VAL A 49 0.837 -3.698 -1.172 1.00 0.28 C ATOM 716 O VAL A 49 1.099 -3.009 -0.185 1.00 0.30 O ATOM 717 CB VAL A 49 -0.724 -2.227 -2.508 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.801 -1.128 -1.459 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.381 -1.932 -3.511 1.00 0.36 C ATOM 0 H VAL A 49 -1.741 -3.229 -0.210 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.554 -4.347 -2.670 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.678 -2.248 -3.036 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.947 -0.166 -1.950 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.638 -1.323 -0.788 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.126 -1.106 -0.886 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.217 -0.950 -3.954 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.346 -1.945 -3.004 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.373 -2.690 -4.295 1.00 0.36 H new ATOM 729 N ARG A 50 1.675 -4.591 -1.662 1.00 0.31 N ATOM 730 CA ARG A 50 2.995 -4.759 -1.090 1.00 0.30 C ATOM 731 C ARG A 50 4.081 -4.235 -2.015 1.00 0.27 C ATOM 732 O ARG A 50 3.993 -4.362 -3.238 1.00 0.30 O ATOM 733 CB ARG A 50 3.248 -6.224 -0.717 1.00 0.34 C ATOM 734 CG ARG A 50 2.957 -7.225 -1.821 1.00 0.39 C ATOM 735 CD ARG A 50 3.113 -8.652 -1.313 1.00 0.52 C ATOM 736 NE ARG A 50 2.302 -8.906 -0.114 1.00 1.34 N ATOM 737 CZ ARG A 50 2.415 -9.998 0.644 1.00 1.60 C ATOM 738 NH1 ARG A 50 3.286 -10.943 0.320 1.00 1.15 N ATOM 739 NH2 ARG A 50 1.654 -10.142 1.726 1.00 2.62 N ATOM 0 H ARG A 50 1.467 -5.206 -2.448 1.00 0.31 H new ATOM 0 HA ARG A 50 3.033 -4.165 -0.177 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.290 -6.332 -0.414 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.637 -6.474 0.150 1.00 0.34 H new ATOM 0 HG2 ARG A 50 1.944 -7.076 -2.195 1.00 0.39 H new ATOM 0 HG3 ARG A 50 3.634 -7.056 -2.658 1.00 0.39 H new ATOM 0 HD2 ARG A 50 2.824 -9.349 -2.099 1.00 0.52 H new ATOM 0 HD3 ARG A 50 4.162 -8.843 -1.087 1.00 0.52 H new ATOM 0 HE ARG A 50 1.611 -8.205 0.155 1.00 1.34 H new ATOM 0 HH11 ARG A 50 3.870 -10.835 -0.509 1.00 1.15 H new ATOM 0 HH12 ARG A 50 3.372 -11.778 0.900 1.00 1.15 H new ATOM 0 HH21 ARG A 50 0.982 -9.417 1.977 1.00 2.62 H new ATOM 0 HH22 ARG A 50 1.742 -10.978 2.304 1.00 2.62 H new ATOM 753 N ILE A 51 5.092 -3.634 -1.408 1.00 0.24 N ATOM 754 CA ILE A 51 6.222 -3.094 -2.138 1.00 0.23 C ATOM 755 C ILE A 51 7.444 -3.958 -1.878 1.00 0.24 C ATOM 756 O ILE A 51 7.950 -4.007 -0.757 1.00 0.27 O ATOM 757 CB ILE A 51 6.542 -1.643 -1.711 1.00 0.28 C ATOM 758 CG1 ILE A 51 5.266 -0.798 -1.674 1.00 0.34 C ATOM 759 CG2 ILE A 51 7.563 -1.027 -2.660 1.00 0.31 C ATOM 760 CD1 ILE A 51 5.493 0.627 -1.214 1.00 0.42 C ATOM 0 H ILE A 51 5.150 -3.508 -0.397 1.00 0.24 H new ATOM 0 HA ILE A 51 5.964 -3.091 -3.197 1.00 0.23 H new ATOM 0 HB ILE A 51 6.967 -1.663 -0.708 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.822 -0.783 -2.669 1.00 0.34 H new ATOM 0 HG13 ILE A 51 4.544 -1.274 -1.010 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.780 -0.005 -2.348 1.00 0.31 H new ATOM 0 HG22 ILE A 51 8.481 -1.615 -2.639 1.00 0.31 H new ATOM 0 HG23 ILE A 51 7.160 -1.020 -3.673 1.00 0.31 H new ATOM 0 HD11 ILE A 51 4.545 1.165 -1.213 1.00 0.42 H new ATOM 0 HD12 ILE A 51 5.908 0.622 -0.206 1.00 0.42 H new ATOM 0 HD13 ILE A 51 6.190 1.121 -1.891 1.00 0.42 H new ATOM 772 N VAL A 52 7.897 -4.647 -2.906 1.00 0.24 N ATOM 773 CA VAL A 52 9.019 -5.558 -2.778 1.00 0.30 C ATOM 774 C VAL A 52 10.182 -5.082 -3.639 1.00 0.34 C ATOM 775 O VAL A 52 9.985 -4.613 -4.762 1.00 0.33 O ATOM 776 CB VAL A 52 8.622 -6.999 -3.188 1.00 0.36 C ATOM 777 CG1 VAL A 52 9.757 -7.981 -2.927 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.356 -7.439 -2.463 1.00 0.38 C ATOM 0 H VAL A 52 7.503 -4.593 -3.845 1.00 0.24 H new ATOM 0 HA VAL A 52 9.322 -5.570 -1.731 1.00 0.30 H new ATOM 0 HB VAL A 52 8.422 -6.995 -4.259 1.00 0.36 H new ATOM 0 HG11 VAL A 52 9.447 -8.983 -3.225 1.00 0.46 H new ATOM 0 HG12 VAL A 52 10.634 -7.686 -3.504 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.004 -7.978 -1.865 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.097 -8.453 -2.767 1.00 0.38 H new ATOM 0 HG22 VAL A 52 7.526 -7.415 -1.387 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.538 -6.764 -2.716 1.00 0.38 H new ATOM 788 N ALA A 53 11.388 -5.188 -3.106 1.00 0.42 N ATOM 789 CA ALA A 53 12.582 -4.795 -3.833 1.00 0.53 C ATOM 790 C ALA A 53 13.427 -6.019 -4.165 1.00 0.73 C ATOM 791 O ALA A 53 14.255 -6.453 -3.361 1.00 0.93 O ATOM 792 CB ALA A 53 13.389 -3.793 -3.024 1.00 0.70 C ATOM 0 H ALA A 53 11.566 -5.545 -2.167 1.00 0.42 H new ATOM 0 HA ALA A 53 12.280 -4.320 -4.767 1.00 0.53 H new ATOM 0 HB1 ALA A 53 14.281 -3.508 -3.583 1.00 0.70 H new ATOM 0 HB2 ALA A 53 12.783 -2.908 -2.832 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.683 -4.243 -2.076 1.00 0.70 H new ATOM 941 N ALA A 63 21.383 -7.090 4.217 1.00 0.92 N ATOM 942 CA ALA A 63 20.702 -8.034 3.342 1.00 0.91 C ATOM 943 C ALA A 63 19.225 -8.111 3.705 1.00 0.78 C ATOM 944 O ALA A 63 18.666 -9.191 3.887 1.00 0.94 O ATOM 945 CB ALA A 63 21.354 -9.405 3.427 1.00 1.16 C ATOM 0 HA ALA A 63 20.786 -7.685 2.313 1.00 0.91 H new ATOM 0 HB1 ALA A 63 20.832 -10.098 2.767 1.00 1.16 H new ATOM 0 HB2 ALA A 63 22.398 -9.331 3.123 1.00 1.16 H new ATOM 0 HB3 ALA A 63 21.300 -9.771 4.452 1.00 1.16 H new ATOM 951 N HIS A 64 18.606 -6.949 3.823 1.00 0.60 N ATOM 952 CA HIS A 64 17.200 -6.847 4.180 1.00 0.51 C ATOM 953 C HIS A 64 16.442 -6.139 3.070 1.00 0.47 C ATOM 954 O HIS A 64 16.337 -4.911 3.074 1.00 0.48 O ATOM 955 CB HIS A 64 17.018 -6.073 5.494 1.00 0.54 C ATOM 956 CG HIS A 64 17.450 -6.812 6.725 1.00 0.73 C ATOM 957 ND1 HIS A 64 16.735 -6.785 7.902 1.00 0.99 N ATOM 958 CD2 HIS A 64 18.541 -7.577 6.970 1.00 1.01 C ATOM 959 CE1 HIS A 64 17.367 -7.501 8.814 1.00 1.13 C ATOM 960 NE2 HIS A 64 18.463 -7.990 8.273 1.00 1.10 N ATOM 0 H HIS A 64 19.063 -6.049 3.674 1.00 0.60 H new ATOM 0 HA HIS A 64 16.809 -7.855 4.315 1.00 0.51 H new ATOM 0 HB2 HIS A 64 17.580 -5.141 5.431 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.967 -5.805 5.599 1.00 0.54 H new ATOM 0 HD1 HIS A 64 15.855 -6.290 8.047 1.00 0.99 H new ATOM 0 HD2 HIS A 64 19.326 -7.816 6.268 1.00 1.01 H new ATOM 0 HE1 HIS A 64 17.040 -7.659 9.831 1.00 1.13 H new ATOM 969 N PRO A 65 15.922 -6.898 2.095 1.00 0.58 N ATOM 970 CA PRO A 65 15.170 -6.328 0.980 1.00 0.64 C ATOM 971 C PRO A 65 13.875 -5.680 1.452 1.00 0.53 C ATOM 972 O PRO A 65 13.259 -6.132 2.422 1.00 0.54 O ATOM 973 CB PRO A 65 14.876 -7.534 0.081 1.00 0.84 C ATOM 974 CG PRO A 65 14.976 -8.717 0.980 1.00 1.08 C ATOM 975 CD PRO A 65 16.015 -8.368 2.006 1.00 0.77 C ATOM 0 HA PRO A 65 15.723 -5.540 0.469 1.00 0.64 H new ATOM 0 HB2 PRO A 65 13.885 -7.461 -0.366 1.00 0.84 H new ATOM 0 HB3 PRO A 65 15.592 -7.599 -0.739 1.00 0.84 H new ATOM 0 HG2 PRO A 65 14.017 -8.931 1.452 1.00 1.08 H new ATOM 0 HG3 PRO A 65 15.262 -9.608 0.422 1.00 1.08 H new ATOM 0 HD2 PRO A 65 15.809 -8.843 2.965 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.009 -8.690 1.698 1.00 0.77 H new ATOM 983 N LEU A 66 13.488 -4.606 0.783 1.00 0.50 N ATOM 984 CA LEU A 66 12.247 -3.921 1.095 1.00 0.44 C ATOM 985 C LEU A 66 11.055 -4.838 0.844 1.00 0.35 C ATOM 986 O LEU A 66 10.874 -5.350 -0.261 1.00 0.37 O ATOM 987 CB LEU A 66 12.122 -2.648 0.259 1.00 0.52 C ATOM 988 CG LEU A 66 10.796 -1.896 0.397 1.00 0.71 C ATOM 989 CD1 LEU A 66 10.618 -1.362 1.810 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.728 -0.766 -0.618 1.00 1.05 C ATOM 0 H LEU A 66 14.019 -4.190 0.018 1.00 0.50 H new ATOM 0 HA LEU A 66 12.257 -3.647 2.150 1.00 0.44 H new ATOM 0 HB2 LEU A 66 12.933 -1.973 0.534 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.265 -2.908 -0.790 1.00 0.52 H new ATOM 0 HG LEU A 66 9.982 -2.593 0.199 1.00 0.71 H new ATOM 0 HD11 LEU A 66 9.668 -0.832 1.882 1.00 1.20 H new ATOM 0 HD12 LEU A 66 10.624 -2.192 2.516 1.00 1.20 H new ATOM 0 HD13 LEU A 66 11.434 -0.679 2.046 1.00 1.20 H new ATOM 0 HD21 LEU A 66 9.781 -0.238 -0.511 1.00 1.05 H new ATOM 0 HD22 LEU A 66 11.552 -0.073 -0.447 1.00 1.05 H new ATOM 0 HD23 LEU A 66 10.803 -1.176 -1.625 1.00 1.05 H new ATOM 1002 N ASN A 67 10.266 -5.054 1.882 1.00 0.32 N ATOM 1003 CA ASN A 67 9.059 -5.859 1.785 1.00 0.31 C ATOM 1004 C ASN A 67 7.995 -5.255 2.685 1.00 0.30 C ATOM 1005 O ASN A 67 7.899 -5.586 3.873 1.00 0.40 O ATOM 1006 CB ASN A 67 9.330 -7.315 2.187 1.00 0.42 C ATOM 1007 CG ASN A 67 8.156 -8.234 1.883 1.00 0.51 C ATOM 1008 OD1 ASN A 67 8.095 -8.850 0.818 1.00 0.63 O ATOM 1009 ND2 ASN A 67 7.211 -8.323 2.809 1.00 0.54 N ATOM 0 H ASN A 67 10.442 -4.678 2.814 1.00 0.32 H new ATOM 0 HA ASN A 67 8.715 -5.862 0.751 1.00 0.31 H new ATOM 0 HB2 ASN A 67 10.214 -7.675 1.661 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.554 -7.358 3.253 1.00 0.42 H new ATOM 0 HD21 ASN A 67 6.397 -8.918 2.652 1.00 0.54 H new ATOM 0 HD22 ASN A 67 7.298 -7.797 3.679 1.00 0.54 H new ATOM 1016 N LEU A 68 7.223 -4.347 2.121 1.00 0.26 N ATOM 1017 CA LEU A 68 6.210 -3.624 2.868 1.00 0.24 C ATOM 1018 C LEU A 68 4.823 -4.152 2.548 1.00 0.23 C ATOM 1019 O LEU A 68 4.482 -4.345 1.387 1.00 0.25 O ATOM 1020 CB LEU A 68 6.285 -2.127 2.539 1.00 0.26 C ATOM 1021 CG LEU A 68 5.127 -1.276 3.061 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.105 -1.264 4.576 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.223 0.139 2.520 1.00 0.32 C ATOM 0 H LEU A 68 7.279 -4.090 1.136 1.00 0.26 H new ATOM 0 HA LEU A 68 6.399 -3.771 3.931 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.215 -1.730 2.945 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.336 -2.014 1.456 1.00 0.26 H new ATOM 0 HG LEU A 68 4.195 -1.720 2.712 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.272 -0.652 4.923 1.00 0.31 H new ATOM 0 HD12 LEU A 68 4.986 -2.282 4.946 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.041 -0.849 4.950 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.391 0.731 2.901 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.164 0.587 2.839 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.183 0.116 1.431 1.00 0.32 H new ATOM 1035 N ALA A 69 4.032 -4.383 3.582 1.00 0.24 N ATOM 1036 CA ALA A 69 2.651 -4.802 3.402 1.00 0.25 C ATOM 1037 C ALA A 69 1.699 -3.734 3.925 1.00 0.24 C ATOM 1038 O ALA A 69 1.525 -3.578 5.135 1.00 0.28 O ATOM 1039 CB ALA A 69 2.398 -6.130 4.100 1.00 0.30 C ATOM 0 H ALA A 69 4.322 -4.288 4.555 1.00 0.24 H new ATOM 0 HA ALA A 69 2.469 -4.936 2.336 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.359 -6.426 3.953 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.055 -6.892 3.681 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.598 -6.025 5.166 1.00 0.30 H new ATOM 1045 N LEU A 70 1.096 -2.996 3.004 1.00 0.22 N ATOM 1046 CA LEU A 70 0.180 -1.919 3.354 1.00 0.22 C ATOM 1047 C LEU A 70 -1.240 -2.445 3.479 1.00 0.23 C ATOM 1048 O LEU A 70 -1.773 -3.035 2.537 1.00 0.28 O ATOM 1049 CB LEU A 70 0.222 -0.819 2.287 1.00 0.23 C ATOM 1050 CG LEU A 70 1.516 -0.006 2.225 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.553 0.829 0.959 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.643 0.891 3.446 1.00 0.25 C ATOM 0 H LEU A 70 1.226 -3.125 2.001 1.00 0.22 H new ATOM 0 HA LEU A 70 0.492 -1.506 4.313 1.00 0.22 H new ATOM 0 HB2 LEU A 70 0.055 -1.277 1.312 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.608 -0.135 2.464 1.00 0.23 H new ATOM 0 HG LEU A 70 2.357 -0.700 2.215 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.479 1.402 0.928 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.503 0.174 0.089 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.703 1.512 0.948 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.570 1.461 3.384 1.00 0.25 H new ATOM 0 HD22 LEU A 70 0.797 1.577 3.483 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.654 0.279 4.348 1.00 0.25 H new ATOM 1064 N THR A 71 -1.851 -2.238 4.636 1.00 0.21 N ATOM 1065 CA THR A 71 -3.226 -2.647 4.857 1.00 0.23 C ATOM 1066 C THR A 71 -3.994 -1.523 5.549 1.00 0.22 C ATOM 1067 O THR A 71 -3.416 -0.749 6.316 1.00 0.21 O ATOM 1068 CB THR A 71 -3.298 -3.940 5.704 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.402 -3.851 6.822 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.945 -5.166 4.872 1.00 0.52 C ATOM 0 H THR A 71 -1.412 -1.787 5.439 1.00 0.21 H new ATOM 0 HA THR A 71 -3.680 -2.855 3.888 1.00 0.23 H new ATOM 0 HB THR A 71 -4.322 -4.045 6.061 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.855 -3.042 6.739 1.00 0.75 H new ATOM 0 HG21 THR A 71 -3.005 -6.058 5.495 1.00 0.52 H new ATOM 0 HG22 THR A 71 -3.645 -5.256 4.042 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.932 -5.062 4.483 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.290 -1.437 5.286 1.00 0.25 N ATOM 1079 CA TRP A 72 -6.103 -0.344 5.803 1.00 0.27 C ATOM 1080 C TRP A 72 -7.287 -0.876 6.594 1.00 0.28 C ATOM 1081 O TRP A 72 -7.668 -2.041 6.457 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.594 0.545 4.655 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.503 1.358 4.020 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -5.103 2.612 4.381 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.675 0.978 2.913 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -4.075 3.032 3.575 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.795 2.048 2.666 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.589 -0.162 2.112 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.844 2.012 1.651 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.644 -0.197 1.104 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.783 0.885 0.883 1.00 0.31 C ATOM 0 H TRP A 72 -5.802 -2.111 4.717 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.482 0.252 6.472 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -7.060 -0.081 3.894 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.366 1.217 5.031 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.534 3.190 5.185 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.598 3.931 3.642 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.249 -1.001 2.277 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -2.179 2.845 1.477 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.568 -1.073 0.477 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -2.055 0.827 0.088 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.842 -0.019 7.441 1.00 0.31 N ATOM 1103 CA ASN A 73 -9.006 -0.359 8.244 1.00 0.35 C ATOM 1104 C ASN A 73 -10.187 -0.715 7.351 1.00 0.31 C ATOM 1105 O ASN A 73 -10.444 -0.054 6.344 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.377 0.814 9.157 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.372 1.021 10.275 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.794 0.063 10.789 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -8.140 2.270 10.647 1.00 0.94 N ATOM 0 H ASN A 73 -7.498 0.930 7.590 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.760 -1.225 8.858 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.447 1.725 8.562 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.363 0.638 9.587 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -7.462 2.465 11.384 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.639 3.037 10.197 1.00 0.94 H new ATOM 1116 N THR A 74 -10.896 -1.771 7.731 1.00 0.36 N ATOM 1117 CA THR A 74 -12.042 -2.253 6.972 1.00 0.38 C ATOM 1118 C THR A 74 -13.130 -1.185 6.888 1.00 0.37 C ATOM 1119 O THR A 74 -13.901 -1.149 5.935 1.00 0.38 O ATOM 1120 CB THR A 74 -12.606 -3.537 7.608 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.533 -4.460 7.838 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.652 -4.190 6.711 1.00 0.71 C ATOM 0 H THR A 74 -10.694 -2.315 8.570 1.00 0.36 H new ATOM 0 HA THR A 74 -11.706 -2.479 5.960 1.00 0.38 H new ATOM 0 HB THR A 74 -13.086 -3.270 8.550 1.00 0.50 H new ATOM 0 HG1 THR A 74 -11.887 -5.278 8.244 1.00 0.74 H new ATOM 0 HG21 THR A 74 -14.029 -5.093 7.190 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.476 -3.495 6.547 1.00 0.71 H new ATOM 0 HG23 THR A 74 -13.200 -4.449 5.754 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.175 -0.312 7.892 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.109 0.812 7.901 1.00 0.45 C ATOM 1132 C ASP A 75 -13.799 1.764 6.754 1.00 0.40 C ATOM 1133 O ASP A 75 -14.700 2.263 6.087 1.00 0.44 O ATOM 1134 CB ASP A 75 -14.030 1.562 9.233 1.00 0.55 C ATOM 1135 CG ASP A 75 -14.460 0.710 10.409 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -13.677 -0.166 10.833 1.00 1.98 O ATOM 1137 OD2 ASP A 75 -15.583 0.917 10.921 1.00 1.37 O ATOM 0 H ASP A 75 -12.573 -0.362 8.714 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.119 0.421 7.776 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -13.008 1.905 9.392 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -14.660 2.450 9.183 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.512 2.019 6.548 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.057 2.817 5.413 1.00 0.44 C ATOM 1144 C GLU A 76 -12.531 2.204 4.103 1.00 0.38 C ATOM 1145 O GLU A 76 -13.077 2.895 3.245 1.00 0.41 O ATOM 1146 CB GLU A 76 -10.533 2.921 5.405 1.00 0.53 C ATOM 1147 CG GLU A 76 -9.965 3.669 6.595 1.00 0.85 C ATOM 1148 CD GLU A 76 -10.460 5.097 6.673 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -11.539 5.330 7.255 1.00 1.57 O ATOM 1150 OE2 GLU A 76 -9.773 5.999 6.147 1.00 1.25 O ATOM 0 H GLU A 76 -11.762 1.684 7.153 1.00 0.39 H new ATOM 0 HA GLU A 76 -12.482 3.816 5.513 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -10.110 1.917 5.383 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.217 3.420 4.489 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -10.234 3.144 7.512 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -8.877 3.668 6.535 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.330 0.900 3.966 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.758 0.172 2.774 1.00 0.34 C ATOM 1159 C ILE A 77 -14.271 0.310 2.578 1.00 0.34 C ATOM 1160 O ILE A 77 -14.751 0.525 1.462 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.373 -1.323 2.870 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.866 -1.473 3.135 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.763 -2.060 1.592 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.403 -2.914 3.254 1.00 0.40 C ATOM 0 H ILE A 77 -11.871 0.320 4.669 1.00 0.34 H new ATOM 0 HA ILE A 77 -12.247 0.605 1.914 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.918 -1.765 3.704 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -10.315 -0.990 2.328 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.614 -0.944 4.054 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.484 -3.110 1.678 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.840 -1.981 1.441 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -12.244 -1.615 0.743 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.329 -2.937 3.441 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.925 -3.397 4.080 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.622 -3.444 2.327 1.00 0.40 H new ATOM 1176 N GLU A 78 -15.003 0.210 3.681 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.452 0.385 3.692 1.00 0.37 C ATOM 1178 C GLU A 78 -16.821 1.771 3.159 1.00 0.38 C ATOM 1179 O GLU A 78 -17.682 1.913 2.286 1.00 0.40 O ATOM 1180 CB GLU A 78 -16.960 0.222 5.132 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.472 0.259 5.290 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.146 -1.013 4.822 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -18.798 -2.101 5.328 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -20.049 -0.931 3.969 1.00 2.15 O ATOM 0 H GLU A 78 -14.607 0.004 4.598 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.916 -0.364 3.051 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.592 -0.726 5.526 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -16.527 1.012 5.745 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -18.718 0.430 6.338 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -18.870 1.103 4.727 1.00 0.64 H new ATOM 1191 N ARG A 79 -16.144 2.784 3.684 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.411 4.172 3.331 1.00 0.45 C ATOM 1193 C ARG A 79 -16.078 4.461 1.868 1.00 0.42 C ATOM 1194 O ARG A 79 -16.687 5.336 1.257 1.00 0.45 O ATOM 1195 CB ARG A 79 -15.607 5.109 4.238 1.00 0.56 C ATOM 1196 CG ARG A 79 -16.008 6.576 4.125 1.00 1.06 C ATOM 1197 CD ARG A 79 -17.230 6.906 4.973 1.00 1.60 C ATOM 1198 NE ARG A 79 -18.419 6.143 4.587 1.00 2.14 N ATOM 1199 CZ ARG A 79 -19.469 5.955 5.389 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -19.476 6.477 6.609 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -20.506 5.238 4.976 1.00 3.96 N ATOM 0 H ARG A 79 -15.395 2.667 4.366 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.477 4.347 3.473 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -15.728 4.789 5.273 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -14.549 5.013 3.996 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -15.173 7.204 4.435 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -16.217 6.815 3.082 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -17.002 6.708 6.020 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -17.446 7.971 4.890 1.00 1.60 H new ATOM 0 HE ARG A 79 -18.446 5.733 3.654 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -18.678 7.023 6.935 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -20.279 6.333 7.221 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -20.503 4.828 4.042 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -21.306 5.097 5.592 1.00 3.96 H new ATOM 1215 N LEU A 80 -15.116 3.728 1.311 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.652 3.976 -0.058 1.00 0.44 C ATOM 1217 C LEU A 80 -15.758 3.760 -1.085 1.00 0.47 C ATOM 1218 O LEU A 80 -15.680 4.266 -2.201 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.456 3.084 -0.404 1.00 0.48 C ATOM 1220 CG LEU A 80 -12.169 3.368 0.378 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -11.046 2.468 -0.107 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -11.760 4.829 0.249 1.00 0.55 C ATOM 0 H LEU A 80 -14.642 2.958 1.783 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.347 5.022 -0.098 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.740 2.045 -0.236 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -13.244 3.188 -1.468 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.363 3.159 1.430 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -10.139 2.682 0.458 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -11.327 1.425 0.039 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -10.865 2.650 -1.166 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -10.844 5.002 0.814 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.590 5.068 -0.801 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.553 5.465 0.641 1.00 0.55 H new ATOM 1234 N MET A 81 -16.784 3.005 -0.709 1.00 0.49 N ATOM 1235 CA MET A 81 -17.900 2.740 -1.613 1.00 0.57 C ATOM 1236 C MET A 81 -18.792 3.971 -1.754 1.00 0.53 C ATOM 1237 O MET A 81 -19.642 4.038 -2.644 1.00 0.61 O ATOM 1238 CB MET A 81 -18.731 1.562 -1.104 1.00 0.67 C ATOM 1239 CG MET A 81 -17.926 0.292 -0.883 1.00 0.79 C ATOM 1240 SD MET A 81 -18.971 -1.130 -0.512 1.00 1.85 S ATOM 1241 CE MET A 81 -19.800 -0.553 0.966 1.00 2.59 C ATOM 0 H MET A 81 -16.868 2.568 0.209 1.00 0.49 H new ATOM 0 HA MET A 81 -17.486 2.493 -2.591 1.00 0.57 H new ATOM 0 HB2 MET A 81 -19.209 1.845 -0.166 1.00 0.67 H new ATOM 0 HB3 MET A 81 -19.528 1.356 -1.819 1.00 0.67 H new ATOM 0 HG2 MET A 81 -17.334 0.081 -1.773 1.00 0.79 H new ATOM 0 HG3 MET A 81 -17.225 0.448 -0.063 1.00 0.79 H new ATOM 0 HE1 MET A 81 -20.303 -1.389 1.451 1.00 2.59 H new ATOM 0 HE2 MET A 81 -19.068 -0.124 1.650 1.00 2.59 H new ATOM 0 HE3 MET A 81 -20.535 0.206 0.698 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.586 4.941 -0.878 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.397 6.146 -0.855 1.00 0.48 C ATOM 1253 C GLU A 82 -18.589 7.360 -1.310 1.00 0.43 C ATOM 1254 O GLU A 82 -17.357 7.331 -1.275 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.952 6.368 0.555 1.00 0.56 C ATOM 1256 CG GLU A 82 -21.011 5.358 0.963 1.00 1.21 C ATOM 1257 CD GLU A 82 -22.300 5.514 0.182 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -23.064 6.460 0.459 1.00 1.61 O ATOM 1259 OE2 GLU A 82 -22.547 4.694 -0.726 1.00 2.34 O ATOM 0 H GLU A 82 -17.856 4.915 -0.166 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.227 6.020 -1.550 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -19.130 6.327 1.270 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -20.377 7.370 0.615 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -20.622 4.350 0.816 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -21.220 5.467 2.027 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.282 8.415 -1.733 1.00 0.52 N ATOM 1267 CA ALA A 83 -18.638 9.608 -2.289 1.00 0.61 C ATOM 1268 C ALA A 83 -17.535 10.160 -1.382 1.00 0.55 C ATOM 1269 O ALA A 83 -16.399 10.363 -1.826 1.00 0.57 O ATOM 1270 CB ALA A 83 -19.683 10.683 -2.560 1.00 0.79 C ATOM 0 H ALA A 83 -20.300 8.470 -1.701 1.00 0.52 H new ATOM 0 HA ALA A 83 -18.161 9.311 -3.223 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -19.197 11.567 -2.973 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -20.417 10.306 -3.272 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.184 10.946 -1.628 1.00 0.79 H new ATOM 1276 N ASP A 84 -17.865 10.378 -0.110 1.00 0.57 N ATOM 1277 CA ASP A 84 -16.925 10.975 0.847 1.00 0.61 C ATOM 1278 C ASP A 84 -15.703 10.091 1.049 1.00 0.49 C ATOM 1279 O ASP A 84 -14.619 10.574 1.386 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.598 11.228 2.203 1.00 0.77 C ATOM 1281 CG ASP A 84 -18.747 12.213 2.118 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -18.482 13.431 2.047 1.00 1.47 O ATOM 1283 OD2 ASP A 84 -19.915 11.776 2.115 1.00 1.76 O ATOM 0 H ASP A 84 -18.777 10.151 0.286 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.606 11.928 0.425 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -17.966 10.283 2.602 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -16.855 11.604 2.907 1.00 0.77 H new ATOM 1288 N GLY A 85 -15.877 8.799 0.820 1.00 0.43 N ATOM 1289 CA GLY A 85 -14.790 7.867 0.994 1.00 0.41 C ATOM 1290 C GLY A 85 -13.810 7.948 -0.150 1.00 0.38 C ATOM 1291 O GLY A 85 -12.605 8.065 0.066 1.00 0.39 O ATOM 0 H GLY A 85 -16.756 8.380 0.516 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.275 8.076 1.932 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.185 6.854 1.066 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.329 7.895 -1.372 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.511 8.057 -2.565 1.00 0.46 C ATOM 1297 C ALA A 86 -12.734 9.372 -2.531 1.00 0.45 C ATOM 1298 O ALA A 86 -11.588 9.436 -2.982 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.386 7.989 -3.806 1.00 0.57 C ATOM 0 H ALA A 86 -15.319 7.740 -1.561 1.00 0.41 H new ATOM 0 HA ALA A 86 -12.785 7.244 -2.594 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -13.767 8.111 -4.695 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -14.889 7.023 -3.844 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.130 8.784 -3.770 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.362 10.413 -1.995 1.00 0.47 N ATOM 1306 CA ALA A 87 -12.707 11.705 -1.836 1.00 0.53 C ATOM 1307 C ALA A 87 -11.478 11.597 -0.934 1.00 0.48 C ATOM 1308 O ALA A 87 -10.458 12.242 -1.182 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.684 12.728 -1.277 1.00 0.63 C ATOM 0 H ALA A 87 -14.326 10.386 -1.663 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.374 12.035 -2.820 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.180 13.688 -1.164 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.526 12.838 -1.960 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.047 12.392 -0.306 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.565 10.761 0.095 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.439 10.556 1.003 1.00 0.48 C ATOM 1317 C ARG A 88 -9.313 9.818 0.286 1.00 0.40 C ATOM 1318 O ARG A 88 -8.134 10.059 0.542 1.00 0.42 O ATOM 1319 CB ARG A 88 -10.873 9.769 2.244 1.00 0.56 C ATOM 1320 CG ARG A 88 -11.831 10.524 3.155 1.00 0.96 C ATOM 1321 CD ARG A 88 -11.180 11.758 3.767 1.00 1.41 C ATOM 1322 NE ARG A 88 -12.104 12.481 4.644 1.00 1.91 N ATOM 1323 CZ ARG A 88 -11.961 13.761 4.992 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -10.908 14.456 4.579 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -12.865 14.344 5.767 1.00 3.71 N ATOM 0 H ARG A 88 -12.397 10.217 0.322 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.079 11.533 1.324 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -11.347 8.841 1.925 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -9.986 9.494 2.815 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -12.712 10.822 2.587 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -12.173 9.862 3.950 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -10.298 11.460 4.334 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -10.839 12.421 2.972 1.00 1.41 H new ATOM 0 HE ARG A 88 -12.908 11.973 5.012 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -10.202 14.012 3.992 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -10.805 15.434 4.849 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -13.671 13.814 6.098 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -12.754 15.323 6.032 1.00 3.71 H new ATOM 1339 N PHE A 89 -9.690 8.930 -0.627 1.00 0.35 N ATOM 1340 CA PHE A 89 -8.724 8.165 -1.409 1.00 0.34 C ATOM 1341 C PHE A 89 -7.859 9.094 -2.260 1.00 0.33 C ATOM 1342 O PHE A 89 -6.636 8.950 -2.298 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.450 7.150 -2.298 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.536 6.242 -3.076 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -7.925 5.162 -2.461 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.294 6.464 -4.425 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -7.091 4.326 -3.172 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.461 5.628 -5.139 1.00 0.54 C ATOM 1349 CZ PHE A 89 -6.859 4.557 -4.512 1.00 0.58 C ATOM 0 H PHE A 89 -10.664 8.721 -0.845 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.072 7.627 -0.721 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.104 6.540 -1.674 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -10.089 7.689 -2.998 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -8.104 4.973 -1.413 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -8.763 7.301 -4.921 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -6.619 3.489 -2.679 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.280 5.812 -6.188 1.00 0.54 H new ATOM 0 HZ PHE A 89 -6.207 3.900 -5.069 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.493 10.060 -2.922 1.00 0.35 N ATOM 1360 CA GLU A 90 -7.769 11.009 -3.766 1.00 0.39 C ATOM 1361 C GLU A 90 -6.843 11.873 -2.912 1.00 0.38 C ATOM 1362 O GLU A 90 -5.743 12.247 -3.330 1.00 0.41 O ATOM 1363 CB GLU A 90 -8.749 11.906 -4.534 1.00 0.47 C ATOM 1364 CG GLU A 90 -9.738 11.156 -5.419 1.00 0.70 C ATOM 1365 CD GLU A 90 -9.066 10.304 -6.476 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -8.647 10.858 -7.515 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -8.967 9.078 -6.281 1.00 2.10 O ATOM 0 H GLU A 90 -9.502 10.206 -2.891 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.174 10.444 -4.483 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.308 12.508 -3.817 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -8.178 12.597 -5.154 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -10.365 10.520 -4.794 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -10.397 11.875 -5.906 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.305 12.172 -1.705 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.536 12.955 -0.746 1.00 0.44 C ATOM 1376 C ARG A 91 -5.304 12.177 -0.286 1.00 0.37 C ATOM 1377 O ARG A 91 -4.248 12.756 -0.028 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.427 13.308 0.451 1.00 0.53 C ATOM 1379 CG ARG A 91 -6.715 14.036 1.580 1.00 0.73 C ATOM 1380 CD ARG A 91 -6.177 15.387 1.140 1.00 1.31 C ATOM 1381 NE ARG A 91 -5.551 16.109 2.247 1.00 2.11 N ATOM 1382 CZ ARG A 91 -4.988 17.310 2.141 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -4.954 17.935 0.972 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -4.457 17.879 3.216 1.00 4.06 N ATOM 0 H ARG A 91 -8.221 11.880 -1.364 1.00 0.39 H new ATOM 0 HA ARG A 91 -6.196 13.874 -1.223 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.253 13.927 0.102 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -7.862 12.390 0.846 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -7.404 14.175 2.413 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -5.893 13.421 1.946 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -5.450 15.246 0.341 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -6.990 15.986 0.729 1.00 1.31 H new ATOM 0 HE ARG A 91 -5.546 15.661 3.163 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -5.361 17.495 0.147 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -4.521 18.855 0.898 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -4.483 17.396 4.114 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -4.023 18.799 3.144 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.439 10.859 -0.224 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.362 10.000 0.242 1.00 0.32 C ATOM 1400 C TYR A 92 -3.321 9.808 -0.855 1.00 0.30 C ATOM 1401 O TYR A 92 -2.130 9.680 -0.575 1.00 0.32 O ATOM 1402 CB TYR A 92 -4.923 8.645 0.687 1.00 0.34 C ATOM 1403 CG TYR A 92 -3.883 7.699 1.252 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -3.353 7.895 2.523 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -3.435 6.608 0.517 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -2.408 7.032 3.042 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -2.488 5.741 1.032 1.00 0.48 C ATOM 1408 CZ TYR A 92 -1.979 5.959 2.293 1.00 0.55 C ATOM 1409 OH TYR A 92 -1.040 5.098 2.810 1.00 0.64 O ATOM 0 H TYR A 92 -6.288 10.361 -0.492 1.00 0.33 H new ATOM 0 HA TYR A 92 -3.880 10.477 1.095 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -5.693 8.813 1.440 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.408 8.168 -0.164 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -3.686 8.736 3.114 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -3.832 6.434 -0.472 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -2.007 7.198 4.031 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -2.150 4.898 0.448 1.00 0.48 H new ATOM 0 HH TYR A 92 -0.379 5.606 3.325 1.00 0.64 H new ATOM 1419 N LEU A 93 -3.777 9.805 -2.105 1.00 0.31 N ATOM 1420 CA LEU A 93 -2.885 9.635 -3.248 1.00 0.34 C ATOM 1421 C LEU A 93 -1.857 10.758 -3.300 1.00 0.35 C ATOM 1422 O LEU A 93 -0.664 10.518 -3.485 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.675 9.603 -4.562 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.658 8.440 -4.720 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.412 8.566 -6.032 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -3.932 7.103 -4.652 1.00 0.44 C ATOM 0 H LEU A 93 -4.760 9.919 -2.352 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.369 8.683 -3.125 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.229 10.537 -4.654 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -2.966 9.570 -5.389 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.372 8.481 -3.898 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -6.108 7.733 -6.133 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -5.965 9.505 -6.045 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.705 8.550 -6.861 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.651 6.292 -4.767 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -3.194 7.049 -5.452 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.431 7.010 -3.689 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.325 11.986 -3.127 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.439 13.145 -3.132 1.00 0.39 C ATOM 1440 C ALA A 94 -0.519 13.146 -1.913 1.00 0.37 C ATOM 1441 O ALA A 94 0.518 13.809 -1.906 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.249 14.429 -3.179 1.00 0.43 C ATOM 0 H ALA A 94 -3.310 12.207 -2.982 1.00 0.36 H new ATOM 0 HA ALA A 94 -0.816 13.085 -4.024 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -1.574 15.285 -3.182 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -2.857 14.443 -4.084 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -2.898 14.482 -2.305 1.00 0.43 H new ATOM 1448 N ALA A 95 -0.893 12.389 -0.891 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.138 12.357 0.349 1.00 0.35 C ATOM 1450 C ALA A 95 0.791 11.151 0.416 1.00 0.33 C ATOM 1451 O ALA A 95 1.485 10.961 1.412 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.084 12.353 1.536 1.00 0.40 C ATOM 0 H ALA A 95 -1.717 11.788 -0.899 1.00 0.33 H new ATOM 0 HA ALA A 95 0.481 13.253 0.381 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.507 12.329 2.461 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -1.698 13.253 1.515 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -1.727 11.474 1.486 1.00 0.40 H new ATOM 1458 N LEU A 96 0.800 10.340 -0.640 1.00 0.35 N ATOM 1459 CA LEU A 96 1.661 9.153 -0.700 1.00 0.36 C ATOM 1460 C LEU A 96 3.127 9.473 -0.362 1.00 0.35 C ATOM 1461 O LEU A 96 3.715 8.802 0.484 1.00 0.34 O ATOM 1462 CB LEU A 96 1.574 8.470 -2.072 1.00 0.44 C ATOM 1463 CG LEU A 96 0.255 7.759 -2.372 1.00 0.49 C ATOM 1464 CD1 LEU A 96 0.217 7.310 -3.823 1.00 0.56 C ATOM 1465 CD2 LEU A 96 0.057 6.565 -1.445 1.00 0.49 C ATOM 0 H LEU A 96 0.221 10.480 -1.468 1.00 0.35 H new ATOM 0 HA LEU A 96 1.289 8.466 0.060 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.745 9.221 -2.843 1.00 0.44 H new ATOM 0 HB3 LEU A 96 2.383 7.744 -2.149 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.558 8.464 -2.199 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -0.728 6.805 -4.023 1.00 0.56 H new ATOM 0 HD12 LEU A 96 0.309 8.178 -4.475 1.00 0.56 H new ATOM 0 HD13 LEU A 96 1.042 6.624 -4.013 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -0.889 6.076 -1.679 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.875 5.858 -1.583 1.00 0.49 H new ATOM 0 HD23 LEU A 96 0.043 6.906 -0.410 1.00 0.49 H new ATOM 1477 N PRO A 97 3.749 10.498 -0.996 1.00 0.37 N ATOM 1478 CA PRO A 97 5.139 10.874 -0.693 1.00 0.39 C ATOM 1479 C PRO A 97 5.329 11.308 0.762 1.00 0.35 C ATOM 1480 O PRO A 97 6.415 11.159 1.332 1.00 0.36 O ATOM 1481 CB PRO A 97 5.415 12.052 -1.637 1.00 0.46 C ATOM 1482 CG PRO A 97 4.069 12.558 -2.027 1.00 0.46 C ATOM 1483 CD PRO A 97 3.181 11.350 -2.059 1.00 0.42 C ATOM 0 HA PRO A 97 5.817 10.032 -0.830 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.999 12.827 -1.141 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.985 11.733 -2.510 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.704 13.295 -1.311 1.00 0.46 H new ATOM 0 HG3 PRO A 97 4.101 13.048 -3.000 1.00 0.46 H new ATOM 0 HD2 PRO A 97 2.141 11.607 -1.859 1.00 0.42 H new ATOM 0 HD3 PRO A 97 3.206 10.856 -3.030 1.00 0.42 H new ATOM 1491 N ARG A 98 4.264 11.826 1.363 1.00 0.34 N ATOM 1492 CA ARG A 98 4.320 12.338 2.726 1.00 0.35 C ATOM 1493 C ARG A 98 4.219 11.191 3.725 1.00 0.31 C ATOM 1494 O ARG A 98 4.913 11.170 4.741 1.00 0.33 O ATOM 1495 CB ARG A 98 3.185 13.338 2.944 1.00 0.44 C ATOM 1496 CG ARG A 98 3.274 14.105 4.250 1.00 1.33 C ATOM 1497 CD ARG A 98 2.168 15.140 4.343 1.00 1.71 C ATOM 1498 NE ARG A 98 2.150 16.014 3.170 1.00 2.37 N ATOM 1499 CZ ARG A 98 1.224 16.942 2.937 1.00 3.24 C ATOM 1500 NH1 ARG A 98 0.258 17.161 3.816 1.00 3.56 N ATOM 1501 NH2 ARG A 98 1.272 17.653 1.817 1.00 4.22 N ATOM 0 H ARG A 98 3.346 11.902 0.924 1.00 0.34 H new ATOM 0 HA ARG A 98 5.273 12.844 2.881 1.00 0.35 H new ATOM 0 HB2 ARG A 98 3.179 14.049 2.118 1.00 0.44 H new ATOM 0 HB3 ARG A 98 2.235 12.805 2.913 1.00 0.44 H new ATOM 0 HG2 ARG A 98 3.202 13.413 5.089 1.00 1.33 H new ATOM 0 HG3 ARG A 98 4.245 14.596 4.324 1.00 1.33 H new ATOM 0 HD2 ARG A 98 1.205 14.638 4.438 1.00 1.71 H new ATOM 0 HD3 ARG A 98 2.305 15.740 5.243 1.00 1.71 H new ATOM 0 HE ARG A 98 2.897 15.905 2.484 1.00 2.37 H new ATOM 0 HH11 ARG A 98 0.220 16.617 4.678 1.00 3.56 H new ATOM 0 HH12 ARG A 98 -0.448 17.874 3.631 1.00 3.56 H new ATOM 0 HH21 ARG A 98 2.016 17.487 1.139 1.00 4.22 H new ATOM 0 HH22 ARG A 98 0.565 18.365 1.634 1.00 4.22 H new ATOM 1515 N LYS A 99 3.367 10.223 3.413 1.00 0.31 N ATOM 1516 CA LYS A 99 3.209 9.047 4.251 1.00 0.36 C ATOM 1517 C LYS A 99 4.480 8.219 4.192 1.00 0.32 C ATOM 1518 O LYS A 99 4.955 7.706 5.203 1.00 0.32 O ATOM 1519 CB LYS A 99 2.024 8.210 3.767 1.00 0.47 C ATOM 1520 CG LYS A 99 0.687 8.937 3.792 1.00 0.86 C ATOM 1521 CD LYS A 99 0.225 9.233 5.209 1.00 1.14 C ATOM 1522 CE LYS A 99 -1.136 9.909 5.211 1.00 1.52 C ATOM 1523 NZ LYS A 99 -1.638 10.145 6.589 1.00 1.44 N ATOM 0 H LYS A 99 2.774 10.232 2.583 1.00 0.31 H new ATOM 0 HA LYS A 99 3.020 9.359 5.278 1.00 0.36 H new ATOM 0 HB2 LYS A 99 2.223 7.876 2.749 1.00 0.47 H new ATOM 0 HB3 LYS A 99 1.949 7.316 4.387 1.00 0.47 H new ATOM 0 HG2 LYS A 99 0.772 9.871 3.236 1.00 0.86 H new ATOM 0 HG3 LYS A 99 -0.064 8.331 3.285 1.00 0.86 H new ATOM 0 HD2 LYS A 99 0.175 8.306 5.780 1.00 1.14 H new ATOM 0 HD3 LYS A 99 0.953 9.874 5.706 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -1.069 10.860 4.682 1.00 1.52 H new ATOM 0 HE3 LYS A 99 -1.849 9.290 4.666 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -2.561 10.623 6.545 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 -1.742 9.235 7.081 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -0.963 10.743 7.107 1.00 1.44 H new ATOM 1537 N LEU A 100 5.028 8.123 2.988 1.00 0.33 N ATOM 1538 CA LEU A 100 6.255 7.386 2.739 1.00 0.35 C ATOM 1539 C LEU A 100 7.376 7.895 3.641 1.00 0.34 C ATOM 1540 O LEU A 100 8.044 7.114 4.316 1.00 0.35 O ATOM 1541 CB LEU A 100 6.656 7.544 1.269 1.00 0.42 C ATOM 1542 CG LEU A 100 7.670 6.526 0.744 1.00 0.82 C ATOM 1543 CD1 LEU A 100 7.012 5.172 0.538 1.00 0.62 C ATOM 1544 CD2 LEU A 100 8.293 7.015 -0.553 1.00 1.58 C ATOM 0 H LEU A 100 4.631 8.557 2.155 1.00 0.33 H new ATOM 0 HA LEU A 100 6.086 6.332 2.959 1.00 0.35 H new ATOM 0 HB2 LEU A 100 5.756 7.481 0.657 1.00 0.42 H new ATOM 0 HB3 LEU A 100 7.067 8.544 1.129 1.00 0.42 H new ATOM 0 HG LEU A 100 8.459 6.415 1.487 1.00 0.82 H new ATOM 0 HD11 LEU A 100 7.750 4.462 0.164 1.00 0.62 H new ATOM 0 HD12 LEU A 100 6.612 4.814 1.486 1.00 0.62 H new ATOM 0 HD13 LEU A 100 6.202 5.267 -0.185 1.00 0.62 H new ATOM 0 HD21 LEU A 100 9.012 6.278 -0.912 1.00 1.58 H new ATOM 0 HD22 LEU A 100 7.513 7.155 -1.301 1.00 1.58 H new ATOM 0 HD23 LEU A 100 8.802 7.963 -0.378 1.00 1.58 H new ATOM 1556 N ALA A 101 7.544 9.214 3.669 1.00 0.33 N ATOM 1557 CA ALA A 101 8.596 9.844 4.458 1.00 0.36 C ATOM 1558 C ALA A 101 8.421 9.565 5.946 1.00 0.33 C ATOM 1559 O ALA A 101 9.401 9.397 6.679 1.00 0.35 O ATOM 1560 CB ALA A 101 8.610 11.342 4.205 1.00 0.41 C ATOM 0 H ALA A 101 6.960 9.870 3.150 1.00 0.33 H new ATOM 0 HA ALA A 101 9.550 9.416 4.148 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.399 11.804 4.799 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.794 11.531 3.147 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.647 11.768 4.487 1.00 0.41 H new ATOM 1566 N ALA A 102 7.169 9.520 6.387 1.00 0.32 N ATOM 1567 CA ALA A 102 6.857 9.278 7.787 1.00 0.33 C ATOM 1568 C ALA A 102 7.238 7.860 8.202 1.00 0.32 C ATOM 1569 O ALA A 102 7.834 7.651 9.260 1.00 0.35 O ATOM 1570 CB ALA A 102 5.379 9.533 8.045 1.00 0.35 C ATOM 0 H ALA A 102 6.352 9.649 5.791 1.00 0.32 H new ATOM 0 HA ALA A 102 7.445 9.969 8.391 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.156 9.349 9.096 1.00 0.35 H new ATOM 0 HB2 ALA A 102 5.140 10.568 7.799 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.781 8.865 7.425 1.00 0.35 H new ATOM 1576 N TRP A 103 6.907 6.890 7.356 1.00 0.30 N ATOM 1577 CA TRP A 103 7.192 5.489 7.651 1.00 0.32 C ATOM 1578 C TRP A 103 8.693 5.237 7.698 1.00 0.32 C ATOM 1579 O TRP A 103 9.170 4.447 8.518 1.00 0.34 O ATOM 1580 CB TRP A 103 6.539 4.568 6.614 1.00 0.33 C ATOM 1581 CG TRP A 103 5.044 4.667 6.594 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.216 4.817 7.669 1.00 0.36 C ATOM 1583 CD2 TRP A 103 4.201 4.607 5.444 1.00 0.35 C ATOM 1584 NE1 TRP A 103 2.909 4.869 7.254 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.874 4.742 5.890 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.441 4.458 4.078 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.792 4.734 5.016 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 3.367 4.449 3.211 1.00 0.41 C ATOM 1589 CH2 TRP A 103 2.057 4.588 3.683 1.00 0.44 C ATOM 0 H TRP A 103 6.442 7.047 6.462 1.00 0.30 H new ATOM 0 HA TRP A 103 6.771 5.265 8.631 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.926 4.813 5.625 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.826 3.537 6.822 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.542 4.885 8.696 1.00 0.36 H new ATOM 0 HE1 TRP A 103 2.097 4.983 7.861 1.00 0.40 H new ATOM 0 HE3 TRP A 103 5.449 4.352 3.705 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.780 4.839 5.377 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 3.540 4.333 2.151 1.00 0.41 H new ATOM 0 HH2 TRP A 103 1.238 4.580 2.979 1.00 0.44 H new ATOM 1600 N GLU A 104 9.434 5.918 6.829 1.00 0.34 N ATOM 1601 CA GLU A 104 10.888 5.801 6.810 1.00 0.38 C ATOM 1602 C GLU A 104 11.464 6.224 8.152 1.00 0.39 C ATOM 1603 O GLU A 104 12.258 5.500 8.761 1.00 0.41 O ATOM 1604 CB GLU A 104 11.496 6.666 5.699 1.00 0.42 C ATOM 1605 CG GLU A 104 10.974 6.351 4.306 1.00 0.45 C ATOM 1606 CD GLU A 104 11.812 6.989 3.221 1.00 0.51 C ATOM 1607 OE1 GLU A 104 11.624 8.194 2.945 1.00 0.62 O ATOM 1608 OE2 GLU A 104 12.676 6.296 2.645 1.00 0.52 O ATOM 0 H GLU A 104 9.052 6.555 6.130 1.00 0.34 H new ATOM 0 HA GLU A 104 11.138 4.758 6.616 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.297 7.715 5.921 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.578 6.539 5.706 1.00 0.42 H new ATOM 0 HG2 GLU A 104 10.959 5.271 4.162 1.00 0.45 H new ATOM 0 HG3 GLU A 104 9.945 6.699 4.219 1.00 0.45 H new ATOM 1615 N ASN A 105 11.023 7.387 8.615 1.00 0.41 N ATOM 1616 CA ASN A 105 11.508 7.973 9.859 1.00 0.47 C ATOM 1617 C ASN A 105 11.162 7.096 11.060 1.00 0.46 C ATOM 1618 O ASN A 105 11.965 6.939 11.978 1.00 0.50 O ATOM 1619 CB ASN A 105 10.899 9.368 10.043 1.00 0.53 C ATOM 1620 CG ASN A 105 11.395 10.083 11.291 1.00 1.24 C ATOM 1621 OD1 ASN A 105 10.644 10.825 11.926 1.00 2.01 O ATOM 1622 ND2 ASN A 105 12.661 9.889 11.637 1.00 1.70 N ATOM 0 H ASN A 105 10.319 7.951 8.139 1.00 0.41 H new ATOM 0 HA ASN A 105 12.594 8.048 9.798 1.00 0.47 H new ATOM 0 HB2 ASN A 105 11.131 9.976 9.168 1.00 0.53 H new ATOM 0 HB3 ASN A 105 9.814 9.279 10.091 1.00 0.53 H new ATOM 0 HD21 ASN A 105 13.044 10.362 12.455 1.00 1.70 H new ATOM 0 HD22 ASN A 105 13.251 9.266 11.085 1.00 1.70 H new ATOM 1629 N ALA A 106 9.973 6.516 11.044 1.00 0.45 N ATOM 1630 CA ALA A 106 9.484 5.774 12.195 1.00 0.48 C ATOM 1631 C ALA A 106 10.010 4.339 12.242 1.00 0.50 C ATOM 1632 O ALA A 106 10.495 3.889 13.280 1.00 0.66 O ATOM 1633 CB ALA A 106 7.962 5.772 12.206 1.00 0.52 C ATOM 0 H ALA A 106 9.331 6.544 10.252 1.00 0.45 H new ATOM 0 HA ALA A 106 9.861 6.280 13.084 1.00 0.48 H new ATOM 0 HB1 ALA A 106 7.605 5.214 13.072 1.00 0.52 H new ATOM 0 HB2 ALA A 106 7.597 6.798 12.260 1.00 0.52 H new ATOM 0 HB3 ALA A 106 7.592 5.303 11.294 1.00 0.52 H new ATOM 1639 N ARG A 107 9.928 3.625 11.126 1.00 0.43 N ATOM 1640 CA ARG A 107 10.213 2.190 11.138 1.00 0.47 C ATOM 1641 C ARG A 107 11.652 1.853 10.758 1.00 0.48 C ATOM 1642 O ARG A 107 12.051 0.692 10.825 1.00 0.56 O ATOM 1643 CB ARG A 107 9.251 1.430 10.215 1.00 0.51 C ATOM 1644 CG ARG A 107 7.789 1.489 10.644 1.00 0.59 C ATOM 1645 CD ARG A 107 7.592 1.024 12.086 1.00 0.72 C ATOM 1646 NE ARG A 107 8.208 -0.280 12.340 1.00 0.81 N ATOM 1647 CZ ARG A 107 8.141 -0.921 13.507 1.00 1.10 C ATOM 1648 NH1 ARG A 107 7.455 -0.397 14.517 1.00 1.35 N ATOM 1649 NH2 ARG A 107 8.758 -2.088 13.664 1.00 1.26 N ATOM 0 H ARG A 107 9.671 4.005 10.215 1.00 0.43 H new ATOM 0 HA ARG A 107 10.067 1.872 12.170 1.00 0.47 H new ATOM 0 HB2 ARG A 107 9.338 1.835 9.207 1.00 0.51 H new ATOM 0 HB3 ARG A 107 9.561 0.386 10.167 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.422 2.510 10.540 1.00 0.59 H new ATOM 0 HG3 ARG A 107 7.191 0.866 9.978 1.00 0.59 H new ATOM 0 HD2 ARG A 107 8.018 1.763 12.765 1.00 0.72 H new ATOM 0 HD3 ARG A 107 6.526 0.968 12.305 1.00 0.72 H new ATOM 0 HE ARG A 107 8.719 -0.725 11.578 1.00 0.81 H new ATOM 0 HH11 ARG A 107 6.978 0.497 14.400 1.00 1.35 H new ATOM 0 HH12 ARG A 107 7.405 -0.889 15.409 1.00 1.35 H new ATOM 0 HH21 ARG A 107 9.284 -2.495 12.891 1.00 1.26 H new ATOM 0 HH22 ARG A 107 8.705 -2.577 14.558 1.00 1.26 H new ATOM 1663 N GLY A 108 12.430 2.852 10.368 1.00 0.45 N ATOM 1664 CA GLY A 108 13.807 2.593 9.987 1.00 0.49 C ATOM 1665 C GLY A 108 13.898 1.960 8.615 1.00 0.46 C ATOM 1666 O GLY A 108 14.527 0.915 8.433 1.00 0.50 O ATOM 0 H GLY A 108 12.139 3.828 10.308 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.369 3.527 9.995 1.00 0.49 H new ATOM 0 HA3 GLY A 108 14.271 1.936 10.723 1.00 0.49 H new ATOM 1670 N VAL A 109 13.266 2.602 7.649 1.00 0.42 N ATOM 1671 CA VAL A 109 13.192 2.079 6.293 1.00 0.41 C ATOM 1672 C VAL A 109 13.693 3.136 5.316 1.00 0.43 C ATOM 1673 O VAL A 109 13.558 4.330 5.576 1.00 0.46 O ATOM 1674 CB VAL A 109 11.740 1.669 5.924 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.664 1.095 4.517 1.00 0.42 C ATOM 1676 CG2 VAL A 109 11.183 0.667 6.928 1.00 0.43 C ATOM 0 H VAL A 109 12.792 3.496 7.779 1.00 0.42 H new ATOM 0 HA VAL A 109 13.818 1.189 6.233 1.00 0.41 H new ATOM 0 HB VAL A 109 11.131 2.573 5.957 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.634 0.819 4.292 1.00 0.42 H new ATOM 0 HG12 VAL A 109 12.004 1.842 3.800 1.00 0.42 H new ATOM 0 HG13 VAL A 109 12.299 0.212 4.449 1.00 0.42 H new ATOM 0 HG21 VAL A 109 10.165 0.397 6.646 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.807 -0.227 6.935 1.00 0.43 H new ATOM 0 HG23 VAL A 109 11.178 1.113 7.923 1.00 0.43 H new ATOM 1686 N ASP A 110 14.299 2.706 4.217 1.00 0.44 N ATOM 1687 CA ASP A 110 14.732 3.638 3.183 1.00 0.49 C ATOM 1688 C ASP A 110 14.360 3.090 1.815 1.00 0.54 C ATOM 1689 O ASP A 110 15.025 2.195 1.284 1.00 0.57 O ATOM 1690 CB ASP A 110 16.239 3.894 3.254 1.00 0.53 C ATOM 1691 CG ASP A 110 16.650 5.077 2.396 1.00 0.62 C ATOM 1692 OD1 ASP A 110 16.726 4.930 1.159 1.00 0.79 O ATOM 1693 OD2 ASP A 110 16.901 6.163 2.956 1.00 0.84 O ATOM 0 H ASP A 110 14.501 1.726 4.019 1.00 0.44 H new ATOM 0 HA ASP A 110 14.226 4.589 3.348 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.528 4.077 4.289 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.775 3.003 2.926 1.00 0.53 H new ATOM 1698 N PHE A 111 13.291 3.629 1.251 1.00 0.60 N ATOM 1699 CA PHE A 111 12.744 3.126 -0.003 1.00 0.68 C ATOM 1700 C PHE A 111 13.685 3.385 -1.175 1.00 0.77 C ATOM 1701 O PHE A 111 13.708 2.617 -2.137 1.00 0.90 O ATOM 1702 CB PHE A 111 11.369 3.746 -0.265 1.00 0.73 C ATOM 1703 CG PHE A 111 10.319 3.288 0.709 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.247 3.837 1.979 1.00 0.62 C ATOM 1705 CD2 PHE A 111 9.397 2.319 0.351 1.00 0.72 C ATOM 1706 CE1 PHE A 111 9.276 3.424 2.872 1.00 0.61 C ATOM 1707 CE2 PHE A 111 8.425 1.903 1.239 1.00 0.71 C ATOM 1708 CZ PHE A 111 8.393 2.428 2.518 1.00 0.62 C ATOM 0 H PHE A 111 12.781 4.420 1.643 1.00 0.60 H new ATOM 0 HA PHE A 111 12.634 2.046 0.090 1.00 0.68 H new ATOM 0 HB2 PHE A 111 11.452 4.832 -0.217 1.00 0.73 H new ATOM 0 HB3 PHE A 111 11.051 3.495 -1.277 1.00 0.73 H new ATOM 0 HD1 PHE A 111 10.957 4.595 2.274 1.00 0.62 H new ATOM 0 HD2 PHE A 111 9.439 1.883 -0.636 1.00 0.72 H new ATOM 0 HE1 PHE A 111 9.210 3.882 3.848 1.00 0.61 H new ATOM 0 HE2 PHE A 111 7.692 1.170 0.936 1.00 0.71 H new ATOM 0 HZ PHE A 111 7.677 2.058 3.237 1.00 0.62 H new ATOM 1718 N GLY A 112 14.477 4.446 -1.082 1.00 0.76 N ATOM 1719 CA GLY A 112 15.414 4.761 -2.142 1.00 0.84 C ATOM 1720 C GLY A 112 16.569 3.784 -2.182 1.00 0.79 C ATOM 1721 O GLY A 112 17.141 3.517 -3.242 1.00 0.89 O ATOM 0 H GLY A 112 14.487 5.092 -0.293 1.00 0.76 H new ATOM 0 HA2 GLY A 112 14.895 4.749 -3.101 1.00 0.84 H new ATOM 0 HA3 GLY A 112 15.798 5.771 -1.999 1.00 0.84 H new ATOM 1725 N SER A 113 16.910 3.244 -1.021 1.00 0.71 N ATOM 1726 CA SER A 113 17.983 2.274 -0.913 1.00 0.70 C ATOM 1727 C SER A 113 17.449 0.851 -1.058 1.00 0.68 C ATOM 1728 O SER A 113 18.223 -0.108 -1.113 1.00 0.72 O ATOM 1729 CB SER A 113 18.695 2.442 0.431 1.00 0.71 C ATOM 1730 OG SER A 113 19.116 3.786 0.613 1.00 1.38 O ATOM 0 H SER A 113 16.454 3.465 -0.136 1.00 0.71 H new ATOM 0 HA SER A 113 18.694 2.449 -1.720 1.00 0.70 H new ATOM 0 HB2 SER A 113 18.026 2.153 1.241 1.00 0.71 H new ATOM 0 HB3 SER A 113 19.557 1.777 0.477 1.00 0.71 H new ATOM 0 HG SER A 113 18.333 4.357 0.759 1.00 1.38 H new ATOM 1736 N ARG A 114 16.117 0.725 -1.099 1.00 0.68 N ATOM 1737 CA ARG A 114 15.446 -0.563 -1.314 1.00 0.75 C ATOM 1738 C ARG A 114 15.776 -1.564 -0.211 1.00 0.68 C ATOM 1739 O ARG A 114 15.616 -2.774 -0.381 1.00 0.72 O ATOM 1740 CB ARG A 114 15.821 -1.141 -2.680 1.00 0.91 C ATOM 1741 CG ARG A 114 15.247 -0.360 -3.850 1.00 1.10 C ATOM 1742 CD ARG A 114 15.796 -0.866 -5.173 1.00 1.31 C ATOM 1743 NE ARG A 114 17.243 -0.679 -5.268 1.00 1.48 N ATOM 1744 CZ ARG A 114 17.967 -0.973 -6.344 1.00 1.92 C ATOM 1745 NH1 ARG A 114 17.395 -1.528 -7.406 1.00 2.13 N ATOM 1746 NH2 ARG A 114 19.270 -0.731 -6.348 1.00 2.70 N ATOM 0 H ARG A 114 15.476 1.510 -0.985 1.00 0.68 H new ATOM 0 HA ARG A 114 14.372 -0.380 -1.287 1.00 0.75 H new ATOM 0 HB2 ARG A 114 16.907 -1.166 -2.769 1.00 0.91 H new ATOM 0 HB3 ARG A 114 15.473 -2.172 -2.737 1.00 0.91 H new ATOM 0 HG2 ARG A 114 14.160 -0.445 -3.848 1.00 1.10 H new ATOM 0 HG3 ARG A 114 15.485 0.698 -3.736 1.00 1.10 H new ATOM 0 HD2 ARG A 114 15.558 -1.924 -5.284 1.00 1.31 H new ATOM 0 HD3 ARG A 114 15.307 -0.341 -5.994 1.00 1.31 H new ATOM 0 HE ARG A 114 17.729 -0.298 -4.456 1.00 1.48 H new ATOM 0 HH11 ARG A 114 16.395 -1.731 -7.399 1.00 2.13 H new ATOM 0 HH12 ARG A 114 17.955 -1.751 -8.229 1.00 2.13 H new ATOM 0 HH21 ARG A 114 19.715 -0.320 -5.527 1.00 2.70 H new ATOM 0 HH22 ARG A 114 19.828 -0.955 -7.172 1.00 2.70 H new ATOM 1760 N THR A 115 16.212 -1.046 0.924 1.00 0.60 N ATOM 1761 CA THR A 115 16.617 -1.871 2.045 1.00 0.57 C ATOM 1762 C THR A 115 16.102 -1.274 3.351 1.00 0.52 C ATOM 1763 O THR A 115 15.648 -0.126 3.378 1.00 0.53 O ATOM 1764 CB THR A 115 18.151 -2.014 2.088 1.00 0.63 C ATOM 1765 OG1 THR A 115 18.763 -0.795 1.649 1.00 0.80 O ATOM 1766 CG2 THR A 115 18.627 -3.166 1.213 1.00 0.78 C ATOM 0 H THR A 115 16.295 -0.043 1.093 1.00 0.60 H new ATOM 0 HA THR A 115 16.184 -2.863 1.918 1.00 0.57 H new ATOM 0 HB THR A 115 18.441 -2.226 3.117 1.00 0.63 H new ATOM 0 HG1 THR A 115 18.657 -0.707 0.679 1.00 0.80 H new ATOM 0 HG21 THR A 115 19.713 -3.239 1.266 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.183 -4.097 1.565 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.326 -2.988 0.181 1.00 0.78 H new ATOM 1774 N GLN A 116 16.174 -2.039 4.430 1.00 0.50 N ATOM 1775 CA GLN A 116 15.604 -1.606 5.696 1.00 0.51 C ATOM 1776 C GLN A 116 16.402 -2.145 6.877 1.00 0.54 C ATOM 1777 O GLN A 116 17.038 -3.198 6.790 1.00 0.55 O ATOM 1778 CB GLN A 116 14.144 -2.067 5.790 1.00 0.50 C ATOM 1779 CG GLN A 116 13.960 -3.567 5.597 1.00 0.45 C ATOM 1780 CD GLN A 116 12.519 -4.013 5.761 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.753 -3.418 6.517 1.00 1.21 O ATOM 1782 NE2 GLN A 116 12.137 -5.066 5.053 1.00 1.00 N ATOM 0 H GLN A 116 16.618 -2.957 4.455 1.00 0.50 H new ATOM 0 HA GLN A 116 15.645 -0.517 5.735 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.745 -1.784 6.764 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.557 -1.539 5.039 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.310 -3.846 4.603 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.583 -4.099 6.315 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.801 -5.534 4.436 1.00 1.00 H new ATOM 0 HE22 GLN A 116 11.179 -5.409 5.125 1.00 1.00 H new ATOM 1791 N ALA A 117 16.377 -1.398 7.975 1.00 0.62 N ATOM 1792 CA ALA A 117 17.017 -1.826 9.209 1.00 0.68 C ATOM 1793 C ALA A 117 16.110 -2.795 9.954 1.00 0.68 C ATOM 1794 O ALA A 117 16.557 -3.545 10.825 1.00 0.84 O ATOM 1795 CB ALA A 117 17.349 -0.624 10.081 1.00 0.83 C ATOM 0 H ALA A 117 15.918 -0.489 8.033 1.00 0.62 H new ATOM 0 HA ALA A 117 17.949 -2.336 8.965 1.00 0.68 H new ATOM 0 HB1 ALA A 117 17.827 -0.962 11.000 1.00 0.83 H new ATOM 0 HB2 ALA A 117 18.026 0.040 9.543 1.00 0.83 H new ATOM 0 HB3 ALA A 117 16.432 -0.087 10.325 1.00 0.83 H new ATOM 1801 N ASP A 118 14.833 -2.772 9.596 1.00 0.69 N ATOM 1802 CA ASP A 118 13.852 -3.696 10.150 1.00 0.73 C ATOM 1803 C ASP A 118 13.965 -5.036 9.423 1.00 0.67 C ATOM 1804 O ASP A 118 14.610 -5.136 8.377 1.00 0.67 O ATOM 1805 CB ASP A 118 12.435 -3.122 9.984 1.00 0.81 C ATOM 1806 CG ASP A 118 11.442 -3.657 11.007 1.00 0.81 C ATOM 1807 OD1 ASP A 118 11.401 -4.884 11.230 1.00 1.07 O ATOM 1808 OD2 ASP A 118 10.686 -2.847 11.588 1.00 1.04 O ATOM 0 H ASP A 118 14.449 -2.115 8.916 1.00 0.69 H new ATOM 0 HA ASP A 118 14.044 -3.840 11.213 1.00 0.73 H new ATOM 0 HB2 ASP A 118 12.479 -2.036 10.065 1.00 0.81 H new ATOM 0 HB3 ASP A 118 12.073 -3.352 8.982 1.00 0.81 H new ATOM 1813 N ALA A 119 13.353 -6.063 9.983 1.00 0.72 N ATOM 1814 CA ALA A 119 13.366 -7.385 9.381 1.00 0.73 C ATOM 1815 C ALA A 119 12.163 -7.568 8.468 1.00 0.66 C ATOM 1816 O ALA A 119 12.194 -8.370 7.534 1.00 0.73 O ATOM 1817 CB ALA A 119 13.373 -8.456 10.457 1.00 0.91 C ATOM 0 H ALA A 119 12.837 -6.007 10.861 1.00 0.72 H new ATOM 0 HA ALA A 119 14.273 -7.481 8.784 1.00 0.73 H new ATOM 0 HB1 ALA A 119 13.383 -9.441 9.990 1.00 0.91 H new ATOM 0 HB2 ALA A 119 14.260 -8.341 11.079 1.00 0.91 H new ATOM 0 HB3 ALA A 119 12.481 -8.356 11.075 1.00 0.91 H new ATOM 1823 N LEU A 120 11.109 -6.808 8.745 1.00 0.69 N ATOM 1824 CA LEU A 120 9.864 -6.894 7.999 1.00 0.63 C ATOM 1825 C LEU A 120 8.979 -5.714 8.370 1.00 0.57 C ATOM 1826 O LEU A 120 8.738 -5.469 9.551 1.00 0.65 O ATOM 1827 CB LEU A 120 9.145 -8.212 8.317 1.00 0.73 C ATOM 1828 CG LEU A 120 7.799 -8.416 7.621 1.00 0.69 C ATOM 1829 CD1 LEU A 120 7.968 -8.436 6.113 1.00 0.89 C ATOM 1830 CD2 LEU A 120 7.145 -9.700 8.101 1.00 1.00 C ATOM 0 H LEU A 120 11.096 -6.116 9.494 1.00 0.69 H new ATOM 0 HA LEU A 120 10.079 -6.868 6.931 1.00 0.63 H new ATOM 0 HB2 LEU A 120 9.802 -9.038 8.046 1.00 0.73 H new ATOM 0 HB3 LEU A 120 8.989 -8.269 9.394 1.00 0.73 H new ATOM 0 HG LEU A 120 7.151 -7.578 7.878 1.00 0.69 H new ATOM 0 HD11 LEU A 120 6.997 -8.582 5.640 1.00 0.89 H new ATOM 0 HD12 LEU A 120 8.394 -7.489 5.782 1.00 0.89 H new ATOM 0 HD13 LEU A 120 8.635 -9.251 5.832 1.00 0.89 H new ATOM 0 HD21 LEU A 120 6.188 -9.831 7.597 1.00 1.00 H new ATOM 0 HD22 LEU A 120 7.794 -10.546 7.874 1.00 1.00 H new ATOM 0 HD23 LEU A 120 6.983 -9.646 9.178 1.00 1.00 H new ATOM 1842 N VAL A 121 8.502 -4.973 7.382 1.00 0.50 N ATOM 1843 CA VAL A 121 7.669 -3.822 7.669 1.00 0.47 C ATOM 1844 C VAL A 121 6.220 -4.053 7.234 1.00 0.39 C ATOM 1845 O VAL A 121 5.864 -3.954 6.059 1.00 0.33 O ATOM 1846 CB VAL A 121 8.252 -2.516 7.064 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.515 -2.652 5.572 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.341 -1.331 7.351 1.00 0.50 C ATOM 0 H VAL A 121 8.675 -5.146 6.392 1.00 0.50 H new ATOM 0 HA VAL A 121 7.665 -3.693 8.751 1.00 0.47 H new ATOM 0 HB VAL A 121 9.212 -2.334 7.547 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.922 -1.717 5.188 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.230 -3.457 5.400 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.582 -2.880 5.057 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.771 -0.428 6.917 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.359 -1.512 6.913 1.00 0.50 H new ATOM 0 HG23 VAL A 121 7.239 -1.203 8.429 1.00 0.50 H new ATOM 1858 N LEU A 122 5.400 -4.414 8.208 1.00 0.41 N ATOM 1859 CA LEU A 122 3.971 -4.580 8.007 1.00 0.39 C ATOM 1860 C LEU A 122 3.250 -3.384 8.606 1.00 0.42 C ATOM 1861 O LEU A 122 3.571 -2.964 9.719 1.00 0.73 O ATOM 1862 CB LEU A 122 3.480 -5.867 8.678 1.00 0.50 C ATOM 1863 CG LEU A 122 4.243 -7.144 8.307 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.711 -8.327 9.099 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.149 -7.419 6.815 1.00 0.46 C ATOM 0 H LEU A 122 5.708 -4.600 9.162 1.00 0.41 H new ATOM 0 HA LEU A 122 3.763 -4.648 6.939 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.534 -5.735 9.759 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.429 -6.008 8.426 1.00 0.50 H new ATOM 0 HG LEU A 122 5.293 -6.998 8.559 1.00 0.51 H new ATOM 0 HD11 LEU A 122 4.263 -9.226 8.825 1.00 0.66 H new ATOM 0 HD12 LEU A 122 3.835 -8.136 10.165 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.653 -8.468 8.876 1.00 0.66 H new ATOM 0 HD21 LEU A 122 4.698 -8.330 6.578 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.103 -7.542 6.533 1.00 0.46 H new ATOM 0 HD23 LEU A 122 4.578 -6.583 6.263 1.00 0.46 H new ATOM 1877 N LEU A 123 2.280 -2.835 7.890 1.00 0.24 N ATOM 1878 CA LEU A 123 1.588 -1.638 8.348 1.00 0.24 C ATOM 1879 C LEU A 123 0.079 -1.845 8.280 1.00 0.24 C ATOM 1880 O LEU A 123 -0.510 -1.851 7.198 1.00 0.25 O ATOM 1881 CB LEU A 123 1.976 -0.417 7.507 1.00 0.26 C ATOM 1882 CG LEU A 123 3.466 -0.064 7.477 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.694 1.175 6.628 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.011 0.160 8.880 1.00 0.37 C ATOM 0 H LEU A 123 1.955 -3.197 6.993 1.00 0.24 H new ATOM 0 HA LEU A 123 1.885 -1.455 9.381 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.643 -0.586 6.483 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.427 0.446 7.882 1.00 0.26 H new ATOM 0 HG LEU A 123 4.000 -0.906 7.037 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.757 1.416 6.614 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.351 0.987 5.610 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.137 2.012 7.049 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.071 0.409 8.823 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.471 0.980 9.354 1.00 0.37 H new ATOM 0 HD23 LEU A 123 3.882 -0.748 9.470 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.536 -2.035 9.436 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.973 -2.201 9.495 1.00 0.28 C ATOM 1898 C GLY A 124 -2.641 -1.074 10.250 1.00 0.30 C ATOM 1899 O GLY A 124 -1.966 -0.291 10.917 1.00 0.34 O ATOM 0 H GLY A 124 -0.063 -2.077 10.339 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.375 -2.248 8.483 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -2.209 -3.150 9.976 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.959 -0.979 10.139 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.697 0.039 10.869 1.00 0.36 C ATOM 1905 C GLY A 125 -4.569 1.425 10.264 1.00 0.35 C ATOM 1906 O GLY A 125 -4.838 2.422 10.932 1.00 0.40 O ATOM 0 H GLY A 125 -4.533 -1.588 9.556 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.750 -0.239 10.902 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -4.342 0.066 11.899 1.00 0.36 H new ATOM 1910 N LEU A 126 -4.158 1.494 9.005 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.998 2.777 8.327 1.00 0.31 C ATOM 1912 C LEU A 126 -5.347 3.357 7.905 1.00 0.33 C ATOM 1913 O LEU A 126 -6.317 2.624 7.693 1.00 0.35 O ATOM 1914 CB LEU A 126 -3.086 2.643 7.100 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.578 2.744 7.366 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -1.100 1.622 8.270 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.814 2.730 6.053 1.00 0.39 C ATOM 0 H LEU A 126 -3.930 0.681 8.433 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.534 3.460 9.039 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.287 1.682 6.626 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.360 3.416 6.382 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.387 3.687 7.878 1.00 0.34 H new ATOM 0 HD11 LEU A 126 -0.028 1.722 8.439 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.624 1.675 9.224 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.304 0.662 7.797 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.255 2.802 6.253 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -1.022 1.802 5.521 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.126 3.576 5.441 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.383 4.678 7.781 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.582 5.397 7.364 1.00 0.41 C ATOM 1931 C ASP A 127 -6.243 6.286 6.173 1.00 0.39 C ATOM 1932 O ASP A 127 -5.071 6.588 5.937 1.00 0.45 O ATOM 1933 CB ASP A 127 -7.134 6.264 8.507 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.590 5.459 9.710 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.750 4.999 9.715 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -6.783 5.260 10.648 1.00 1.11 O ATOM 0 H ASP A 127 -4.582 5.282 7.967 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.345 4.669 7.088 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -6.365 6.969 8.822 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.972 6.852 8.134 1.00 0.53 H new ATOM 1941 N PHE A 128 -7.255 6.714 5.433 1.00 0.39 N ATOM 1942 CA PHE A 128 -7.040 7.558 4.259 1.00 0.42 C ATOM 1943 C PHE A 128 -7.163 9.034 4.619 1.00 0.49 C ATOM 1944 O PHE A 128 -7.769 9.817 3.888 1.00 0.61 O ATOM 1945 CB PHE A 128 -8.031 7.204 3.146 1.00 0.48 C ATOM 1946 CG PHE A 128 -7.825 5.833 2.567 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -6.978 5.637 1.487 1.00 0.49 C ATOM 1948 CD2 PHE A 128 -8.478 4.739 3.106 1.00 0.55 C ATOM 1949 CE1 PHE A 128 -6.787 4.375 0.957 1.00 0.55 C ATOM 1950 CE2 PHE A 128 -8.292 3.473 2.581 1.00 0.61 C ATOM 1951 CZ PHE A 128 -7.446 3.290 1.505 1.00 0.58 C ATOM 0 H PHE A 128 -8.233 6.493 5.621 1.00 0.39 H new ATOM 0 HA PHE A 128 -6.028 7.373 3.897 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -9.045 7.274 3.539 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -7.947 7.942 2.348 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -6.461 6.481 1.055 1.00 0.49 H new ATOM 0 HD2 PHE A 128 -9.141 4.875 3.947 1.00 0.55 H new ATOM 0 HE1 PHE A 128 -6.124 4.236 0.116 1.00 0.55 H new ATOM 0 HE2 PHE A 128 -8.808 2.628 3.012 1.00 0.61 H new ATOM 0 HZ PHE A 128 -7.300 2.303 1.093 1.00 0.58 H new ATOM 1961 N GLU A 129 -6.600 9.402 5.757 1.00 0.52 N ATOM 1962 CA GLU A 129 -6.609 10.786 6.196 1.00 0.63 C ATOM 1963 C GLU A 129 -5.277 11.453 5.887 1.00 0.64 C ATOM 1964 O GLU A 129 -4.216 10.864 6.096 1.00 0.80 O ATOM 1965 CB GLU A 129 -6.894 10.878 7.693 1.00 0.83 C ATOM 1966 CG GLU A 129 -8.234 10.297 8.096 1.00 1.58 C ATOM 1967 CD GLU A 129 -8.557 10.561 9.549 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -8.022 9.849 10.424 1.00 2.54 O ATOM 1969 OE2 GLU A 129 -9.348 11.489 9.821 1.00 3.00 O ATOM 0 H GLU A 129 -6.130 8.760 6.395 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.401 11.304 5.655 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -6.105 10.359 8.236 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -6.855 11.924 7.997 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -9.017 10.723 7.468 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -8.231 9.222 7.916 1.00 1.58 H new ATOM 1976 N ALA A 130 -5.332 12.674 5.385 1.00 0.73 N ATOM 1977 CA ALA A 130 -4.129 13.433 5.098 1.00 0.92 C ATOM 1978 C ALA A 130 -4.293 14.877 5.545 1.00 1.47 C ATOM 1979 O ALA A 130 -3.715 15.246 6.585 1.00 1.77 O ATOM 1980 CB ALA A 130 -3.788 13.365 3.620 1.00 0.97 C ATOM 1981 OXT ALA A 130 -5.030 15.629 4.877 1.00 2.26 O ATOM 0 H ALA A 130 -6.201 13.162 5.167 1.00 0.73 H new ATOM 0 HA ALA A 130 -3.304 12.991 5.656 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -2.883 13.941 3.429 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -3.625 12.327 3.332 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -4.611 13.778 3.037 1.00 0.97 H new