USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=11 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 Single : A 9 THR OG1 : rot -53:sc= 1.37 USER MOD Single : A 15 THR OG1 : rot -80:sc= 1.26 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc=-0.00687 X(o=-0.0069,f=0) USER MOD Single : A 35 THR OG1 : rot 173:sc= 0.0642 USER MOD Single : A 47 THR OG1 : rot -112:sc= 0.72 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 64 HIS : no HD1:sc= -0.443 K(o=-0.44,f=-1.3) USER MOD Single : A 67 ASN : amide:sc= -0.0434 X(o=-0.043,f=0) USER MOD Single : A 71 THR OG1 : rot -43:sc= -1.19! USER MOD Single : A 73 ASN : amide:sc= -0.018 K(o=-0.018,f=-4.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 137:sc= -0.167 (180deg=-0.788) USER MOD Single : A 92 TYR OH : rot 154:sc= 0.306 USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0556) USER MOD Single : A 105 ASN : amide:sc= -0.695 K(o=-0.7,f=0) USER MOD Single : A 113 SER OG : rot -36:sc= 0.134 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0.82 K(o=0.82,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 86 N ASP A 8 -19.175 -7.321 -2.072 1.00 0.81 N ATOM 87 CA ASP A 8 -19.227 -6.106 -2.880 1.00 0.80 C ATOM 88 C ASP A 8 -18.146 -5.133 -2.445 1.00 0.67 C ATOM 89 O ASP A 8 -17.456 -4.543 -3.274 1.00 0.67 O ATOM 90 CB ASP A 8 -20.596 -5.429 -2.782 1.00 0.91 C ATOM 91 CG ASP A 8 -21.669 -6.172 -3.544 1.00 1.50 C ATOM 92 OD1 ASP A 8 -21.751 -6.005 -4.778 1.00 2.18 O ATOM 93 OD2 ASP A 8 -22.435 -6.930 -2.917 1.00 2.05 O ATOM 0 HA ASP A 8 -19.058 -6.394 -3.918 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -20.886 -5.354 -1.734 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -20.522 -4.411 -3.166 1.00 0.91 H new ATOM 98 N THR A 9 -17.990 -4.981 -1.139 1.00 0.62 N ATOM 99 CA THR A 9 -16.980 -4.096 -0.589 1.00 0.58 C ATOM 100 C THR A 9 -15.587 -4.598 -0.944 1.00 0.49 C ATOM 101 O THR A 9 -14.754 -3.847 -1.460 1.00 0.46 O ATOM 102 CB THR A 9 -17.123 -3.997 0.942 1.00 0.64 C ATOM 103 OG1 THR A 9 -18.438 -3.528 1.274 1.00 0.74 O ATOM 104 CG2 THR A 9 -16.077 -3.060 1.530 1.00 0.72 C ATOM 0 H THR A 9 -18.554 -5.463 -0.439 1.00 0.62 H new ATOM 0 HA THR A 9 -17.123 -3.105 -1.021 1.00 0.58 H new ATOM 0 HB THR A 9 -16.969 -4.989 1.367 1.00 0.64 H new ATOM 0 HG1 THR A 9 -18.624 -2.700 0.783 1.00 0.74 H new ATOM 0 HG21 THR A 9 -16.201 -3.009 2.612 1.00 0.72 H new ATOM 0 HG22 THR A 9 -15.080 -3.435 1.296 1.00 0.72 H new ATOM 0 HG23 THR A 9 -16.199 -2.064 1.103 1.00 0.72 H new ATOM 112 N ALA A 10 -15.356 -5.879 -0.688 1.00 0.51 N ATOM 113 CA ALA A 10 -14.078 -6.503 -0.973 1.00 0.50 C ATOM 114 C ALA A 10 -13.737 -6.422 -2.457 1.00 0.48 C ATOM 115 O ALA A 10 -12.606 -6.113 -2.823 1.00 0.45 O ATOM 116 CB ALA A 10 -14.097 -7.953 -0.518 1.00 0.60 C ATOM 0 H ALA A 10 -16.047 -6.508 -0.279 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.308 -5.962 -0.424 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -13.134 -8.415 -0.735 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -14.286 -7.995 0.555 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -14.885 -8.490 -1.047 1.00 0.60 H new ATOM 122 N ARG A 11 -14.730 -6.676 -3.303 1.00 0.54 N ATOM 123 CA ARG A 11 -14.512 -6.733 -4.743 1.00 0.59 C ATOM 124 C ARG A 11 -14.200 -5.358 -5.314 1.00 0.52 C ATOM 125 O ARG A 11 -13.256 -5.205 -6.084 1.00 0.52 O ATOM 126 CB ARG A 11 -15.732 -7.325 -5.450 1.00 0.74 C ATOM 127 CG ARG A 11 -15.541 -7.518 -6.948 1.00 1.02 C ATOM 128 CD ARG A 11 -16.703 -8.280 -7.563 1.00 1.21 C ATOM 129 NE ARG A 11 -16.898 -9.583 -6.928 1.00 1.97 N ATOM 130 CZ ARG A 11 -17.930 -10.387 -7.174 1.00 2.53 C ATOM 131 NH1 ARG A 11 -18.853 -10.034 -8.063 1.00 2.44 N ATOM 132 NH2 ARG A 11 -18.036 -11.544 -6.534 1.00 3.56 N ATOM 0 H ARG A 11 -15.694 -6.846 -3.016 1.00 0.54 H new ATOM 0 HA ARG A 11 -13.651 -7.378 -4.917 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -15.971 -8.287 -4.997 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -16.589 -6.672 -5.284 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -15.445 -6.546 -7.432 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -14.612 -8.058 -7.131 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -17.615 -7.690 -7.468 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -16.522 -8.419 -8.629 1.00 1.21 H new ATOM 0 HE ARG A 11 -16.199 -9.895 -6.254 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -18.771 -9.146 -8.558 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -19.643 -10.651 -8.250 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -17.327 -11.817 -5.854 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -18.827 -12.160 -6.722 1.00 3.56 H new ATOM 146 N ARG A 12 -14.981 -4.357 -4.926 1.00 0.51 N ATOM 147 CA ARG A 12 -14.817 -3.016 -5.478 1.00 0.51 C ATOM 148 C ARG A 12 -13.481 -2.411 -5.068 1.00 0.42 C ATOM 149 O ARG A 12 -12.828 -1.741 -5.864 1.00 0.41 O ATOM 150 CB ARG A 12 -15.972 -2.106 -5.056 1.00 0.57 C ATOM 151 CG ARG A 12 -17.321 -2.559 -5.594 1.00 1.31 C ATOM 152 CD ARG A 12 -18.376 -1.470 -5.478 1.00 1.38 C ATOM 153 NE ARG A 12 -18.120 -0.362 -6.398 1.00 2.05 N ATOM 154 CZ ARG A 12 -19.000 0.081 -7.297 1.00 2.50 C ATOM 155 NH1 ARG A 12 -20.206 -0.471 -7.389 1.00 2.39 N ATOM 156 NH2 ARG A 12 -18.672 1.081 -8.103 1.00 3.49 N ATOM 0 H ARG A 12 -15.728 -4.446 -4.237 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.829 -3.102 -6.565 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -16.017 -2.068 -3.968 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.772 -1.092 -5.402 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -17.215 -2.851 -6.639 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -17.651 -3.443 -5.048 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -19.359 -1.893 -5.684 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -18.399 -1.094 -4.455 1.00 1.38 H new ATOM 0 HE ARG A 12 -17.212 0.101 -6.349 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -20.464 -1.239 -6.769 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -20.873 -0.126 -8.079 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -17.749 1.509 -8.035 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -19.343 1.422 -8.792 1.00 3.49 H new ATOM 170 N PHE A 13 -13.062 -2.662 -3.836 1.00 0.40 N ATOM 171 CA PHE A 13 -11.769 -2.175 -3.377 1.00 0.37 C ATOM 172 C PHE A 13 -10.647 -2.894 -4.118 1.00 0.33 C ATOM 173 O PHE A 13 -9.700 -2.268 -4.597 1.00 0.33 O ATOM 174 CB PHE A 13 -11.617 -2.370 -1.863 1.00 0.41 C ATOM 175 CG PHE A 13 -10.301 -1.879 -1.318 1.00 0.41 C ATOM 176 CD1 PHE A 13 -10.119 -0.538 -1.009 1.00 0.43 C ATOM 177 CD2 PHE A 13 -9.249 -2.758 -1.109 1.00 0.46 C ATOM 178 CE1 PHE A 13 -8.916 -0.086 -0.501 1.00 0.48 C ATOM 179 CE2 PHE A 13 -8.043 -2.310 -0.603 1.00 0.51 C ATOM 180 CZ PHE A 13 -7.868 -0.970 -0.322 1.00 0.50 C ATOM 0 H PHE A 13 -13.591 -3.193 -3.144 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.708 -1.108 -3.589 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -12.428 -1.848 -1.355 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -11.724 -3.429 -1.629 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -10.927 0.160 -1.168 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -9.373 -3.805 -1.344 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -8.795 0.956 -0.244 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -7.238 -3.008 -0.428 1.00 0.51 H new ATOM 0 HZ PHE A 13 -6.914 -0.613 0.037 1.00 0.50 H new ATOM 190 N ASP A 14 -10.783 -4.211 -4.221 1.00 0.35 N ATOM 191 CA ASP A 14 -9.785 -5.061 -4.862 1.00 0.37 C ATOM 192 C ASP A 14 -9.604 -4.714 -6.340 1.00 0.34 C ATOM 193 O ASP A 14 -8.507 -4.835 -6.885 1.00 0.37 O ATOM 194 CB ASP A 14 -10.202 -6.528 -4.715 1.00 0.47 C ATOM 195 CG ASP A 14 -9.190 -7.506 -5.272 1.00 0.58 C ATOM 196 OD1 ASP A 14 -8.130 -7.693 -4.640 1.00 0.87 O ATOM 197 OD2 ASP A 14 -9.468 -8.123 -6.325 1.00 0.65 O ATOM 0 H ASP A 14 -11.590 -4.721 -3.862 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.828 -4.892 -4.369 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -10.363 -6.747 -3.659 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -11.156 -6.678 -5.221 1.00 0.47 H new ATOM 202 N THR A 15 -10.674 -4.261 -6.981 1.00 0.33 N ATOM 203 CA THR A 15 -10.647 -4.016 -8.415 1.00 0.34 C ATOM 204 C THR A 15 -10.420 -2.545 -8.766 1.00 0.33 C ATOM 205 O THR A 15 -9.694 -2.236 -9.710 1.00 0.37 O ATOM 206 CB THR A 15 -11.950 -4.499 -9.074 1.00 0.39 C ATOM 207 OG1 THR A 15 -13.080 -3.977 -8.365 1.00 1.51 O ATOM 208 CG2 THR A 15 -12.016 -6.017 -9.093 1.00 1.34 C ATOM 0 H THR A 15 -11.567 -4.057 -6.532 1.00 0.33 H new ATOM 0 HA THR A 15 -9.800 -4.582 -8.802 1.00 0.34 H new ATOM 0 HB THR A 15 -11.967 -4.137 -10.102 1.00 0.39 H new ATOM 0 HG1 THR A 15 -13.239 -4.515 -7.561 1.00 1.51 H new ATOM 0 HG21 THR A 15 -12.946 -6.335 -9.564 1.00 1.34 H new ATOM 0 HG22 THR A 15 -11.171 -6.411 -9.657 1.00 1.34 H new ATOM 0 HG23 THR A 15 -11.978 -6.396 -8.072 1.00 1.34 H new ATOM 216 N GLU A 16 -11.038 -1.632 -8.027 1.00 0.33 N ATOM 217 CA GLU A 16 -10.967 -0.218 -8.379 1.00 0.39 C ATOM 218 C GLU A 16 -9.862 0.517 -7.623 1.00 0.37 C ATOM 219 O GLU A 16 -9.081 1.255 -8.217 1.00 0.46 O ATOM 220 CB GLU A 16 -12.316 0.456 -8.109 1.00 0.48 C ATOM 221 CG GLU A 16 -12.356 1.924 -8.504 1.00 0.60 C ATOM 222 CD GLU A 16 -12.069 2.139 -9.975 1.00 1.15 C ATOM 223 OE1 GLU A 16 -12.912 1.753 -10.811 1.00 1.27 O ATOM 224 OE2 GLU A 16 -11.000 2.687 -10.304 1.00 1.81 O ATOM 0 H GLU A 16 -11.586 -1.840 -7.192 1.00 0.33 H new ATOM 0 HA GLU A 16 -10.728 -0.162 -9.441 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -13.095 -0.079 -8.653 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.550 0.368 -7.048 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -13.337 2.334 -8.265 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -11.627 2.476 -7.911 1.00 0.60 H new ATOM 231 N PHE A 17 -9.767 0.290 -6.323 1.00 0.31 N ATOM 232 CA PHE A 17 -8.888 1.103 -5.489 1.00 0.32 C ATOM 233 C PHE A 17 -7.489 0.514 -5.385 1.00 0.30 C ATOM 234 O PHE A 17 -6.503 1.223 -5.586 1.00 0.33 O ATOM 235 CB PHE A 17 -9.491 1.292 -4.095 1.00 0.37 C ATOM 236 CG PHE A 17 -10.757 2.114 -4.093 1.00 0.42 C ATOM 237 CD1 PHE A 17 -11.978 1.543 -4.427 1.00 0.43 C ATOM 238 CD2 PHE A 17 -10.724 3.462 -3.759 1.00 0.64 C ATOM 239 CE1 PHE A 17 -13.137 2.297 -4.427 1.00 0.48 C ATOM 240 CE2 PHE A 17 -11.881 4.218 -3.757 1.00 0.72 C ATOM 241 CZ PHE A 17 -13.088 3.635 -4.091 1.00 0.57 C ATOM 0 H PHE A 17 -10.278 -0.439 -5.825 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.797 2.076 -5.972 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.702 0.314 -3.663 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.754 1.772 -3.451 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -12.023 0.497 -4.690 1.00 0.43 H new ATOM 0 HD2 PHE A 17 -9.784 3.924 -3.498 1.00 0.64 H new ATOM 0 HE1 PHE A 17 -14.080 1.840 -4.690 1.00 0.48 H new ATOM 0 HE2 PHE A 17 -11.841 5.265 -3.494 1.00 0.72 H new ATOM 0 HZ PHE A 17 -13.992 4.225 -4.089 1.00 0.57 H new ATOM 251 N ALA A 18 -7.400 -0.780 -5.096 1.00 0.29 N ATOM 252 CA ALA A 18 -6.113 -1.436 -4.883 1.00 0.30 C ATOM 253 C ALA A 18 -5.152 -1.270 -6.074 1.00 0.29 C ATOM 254 O ALA A 18 -3.986 -0.925 -5.869 1.00 0.30 O ATOM 255 CB ALA A 18 -6.309 -2.906 -4.537 1.00 0.32 C ATOM 0 H ALA A 18 -8.206 -1.398 -5.003 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.641 -0.937 -4.037 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -5.338 -3.376 -4.382 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.902 -2.989 -3.626 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.828 -3.406 -5.355 1.00 0.32 H new ATOM 261 N PRO A 19 -5.600 -1.504 -7.334 1.00 0.30 N ATOM 262 CA PRO A 19 -4.743 -1.303 -8.512 1.00 0.32 C ATOM 263 C PRO A 19 -4.256 0.135 -8.634 1.00 0.31 C ATOM 264 O PRO A 19 -3.148 0.387 -9.111 1.00 0.32 O ATOM 265 CB PRO A 19 -5.652 -1.650 -9.695 1.00 0.37 C ATOM 266 CG PRO A 19 -6.698 -2.525 -9.112 1.00 0.35 C ATOM 267 CD PRO A 19 -6.934 -2.002 -7.726 1.00 0.31 C ATOM 0 HA PRO A 19 -3.842 -1.914 -8.458 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -6.086 -0.754 -10.139 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -5.100 -2.162 -10.484 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.612 -2.492 -9.705 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -6.371 -3.565 -9.088 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.682 -1.209 -7.715 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -7.288 -2.783 -7.053 1.00 0.31 H new ATOM 275 N ARG A 20 -5.082 1.076 -8.184 1.00 0.32 N ATOM 276 CA ARG A 20 -4.741 2.490 -8.261 1.00 0.35 C ATOM 277 C ARG A 20 -3.703 2.847 -7.206 1.00 0.30 C ATOM 278 O ARG A 20 -2.868 3.725 -7.422 1.00 0.31 O ATOM 279 CB ARG A 20 -5.983 3.369 -8.097 1.00 0.43 C ATOM 280 CG ARG A 20 -6.910 3.346 -9.304 1.00 1.07 C ATOM 281 CD ARG A 20 -8.154 4.189 -9.068 1.00 1.40 C ATOM 282 NE ARG A 20 -7.832 5.589 -8.790 1.00 1.95 N ATOM 283 CZ ARG A 20 -8.668 6.437 -8.194 1.00 2.73 C ATOM 284 NH1 ARG A 20 -9.870 6.026 -7.797 1.00 3.15 N ATOM 285 NH2 ARG A 20 -8.302 7.697 -7.989 1.00 3.58 N ATOM 0 H ARG A 20 -5.991 0.883 -7.763 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.320 2.677 -9.249 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.537 3.040 -7.218 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -5.669 4.396 -7.910 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -6.378 3.718 -10.180 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -7.201 2.318 -9.521 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -8.799 4.134 -9.945 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -8.717 3.775 -8.232 1.00 1.40 H new ATOM 0 HE ARG A 20 -6.914 5.935 -9.069 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -10.154 5.058 -7.949 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -10.507 6.679 -7.341 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -7.380 8.015 -8.288 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -8.943 8.346 -7.532 1.00 3.58 H new ATOM 299 N ILE A 21 -3.752 2.153 -6.076 1.00 0.28 N ATOM 300 CA ILE A 21 -2.774 2.354 -5.016 1.00 0.28 C ATOM 301 C ILE A 21 -1.402 1.901 -5.492 1.00 0.24 C ATOM 302 O ILE A 21 -0.431 2.654 -5.437 1.00 0.25 O ATOM 303 CB ILE A 21 -3.135 1.570 -3.733 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.532 1.955 -3.238 1.00 0.35 C ATOM 305 CG2 ILE A 21 -2.100 1.833 -2.646 1.00 0.33 C ATOM 306 CD1 ILE A 21 -5.009 1.145 -2.045 1.00 0.38 C ATOM 0 H ILE A 21 -4.458 1.446 -5.871 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.770 3.418 -4.778 1.00 0.28 H new ATOM 0 HB ILE A 21 -3.135 0.506 -3.969 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.533 3.012 -2.971 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -5.243 1.832 -4.055 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.366 1.275 -1.748 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -1.118 1.514 -2.994 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -2.075 2.898 -2.417 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -6.006 1.477 -1.755 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -5.042 0.089 -2.312 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.322 1.287 -1.211 1.00 0.38 H new ATOM 318 N ALA A 22 -1.342 0.671 -5.986 1.00 0.23 N ATOM 319 CA ALA A 22 -0.092 0.082 -6.443 1.00 0.23 C ATOM 320 C ALA A 22 0.491 0.851 -7.618 1.00 0.24 C ATOM 321 O ALA A 22 1.707 1.000 -7.727 1.00 0.28 O ATOM 322 CB ALA A 22 -0.309 -1.370 -6.824 1.00 0.25 C ATOM 0 H ALA A 22 -2.152 0.058 -6.080 1.00 0.23 H new ATOM 0 HA ALA A 22 0.623 0.136 -5.622 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.632 -1.801 -7.165 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.669 -1.924 -5.957 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -1.046 -1.430 -7.625 1.00 0.25 H new ATOM 328 N ARG A 23 -0.380 1.340 -8.489 1.00 0.27 N ATOM 329 CA ARG A 23 0.048 2.093 -9.657 1.00 0.34 C ATOM 330 C ARG A 23 0.623 3.443 -9.241 1.00 0.30 C ATOM 331 O ARG A 23 1.634 3.891 -9.785 1.00 0.31 O ATOM 332 CB ARG A 23 -1.129 2.290 -10.613 1.00 0.47 C ATOM 333 CG ARG A 23 -0.752 2.926 -11.940 1.00 1.16 C ATOM 334 CD ARG A 23 -1.972 3.111 -12.829 1.00 1.33 C ATOM 335 NE ARG A 23 -2.966 3.996 -12.219 1.00 1.85 N ATOM 336 CZ ARG A 23 -4.273 3.944 -12.476 1.00 2.38 C ATOM 337 NH1 ARG A 23 -4.756 3.034 -13.312 1.00 2.41 N ATOM 338 NH2 ARG A 23 -5.097 4.804 -11.889 1.00 3.36 N ATOM 0 H ARG A 23 -1.391 1.228 -8.408 1.00 0.27 H new ATOM 0 HA ARG A 23 0.828 1.530 -10.169 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -1.593 1.322 -10.805 1.00 0.47 H new ATOM 0 HB3 ARG A 23 -1.879 2.912 -10.125 1.00 0.47 H new ATOM 0 HG2 ARG A 23 -0.279 3.892 -11.762 1.00 1.16 H new ATOM 0 HG3 ARG A 23 -0.019 2.301 -12.450 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -1.662 3.522 -13.790 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -2.425 2.140 -13.029 1.00 1.33 H new ATOM 0 HE ARG A 23 -2.637 4.697 -11.555 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -4.126 2.369 -13.762 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -5.757 2.999 -13.505 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -4.730 5.503 -11.243 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -6.097 4.766 -12.084 1.00 3.36 H new ATOM 352 N ALA A 24 -0.015 4.076 -8.260 1.00 0.29 N ATOM 353 CA ALA A 24 0.436 5.367 -7.758 1.00 0.31 C ATOM 354 C ALA A 24 1.790 5.237 -7.078 1.00 0.29 C ATOM 355 O ALA A 24 2.692 6.042 -7.307 1.00 0.31 O ATOM 356 CB ALA A 24 -0.584 5.947 -6.791 1.00 0.35 C ATOM 0 H ALA A 24 -0.848 3.713 -7.797 1.00 0.29 H new ATOM 0 HA ALA A 24 0.539 6.044 -8.606 1.00 0.31 H new ATOM 0 HB1 ALA A 24 -0.231 6.911 -6.425 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.537 6.079 -7.303 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.716 5.266 -5.950 1.00 0.35 H new ATOM 362 N ILE A 25 1.920 4.213 -6.242 1.00 0.27 N ATOM 363 CA ILE A 25 3.170 3.935 -5.551 1.00 0.30 C ATOM 364 C ILE A 25 4.278 3.611 -6.551 1.00 0.30 C ATOM 365 O ILE A 25 5.392 4.126 -6.448 1.00 0.33 O ATOM 366 CB ILE A 25 3.014 2.762 -4.557 1.00 0.33 C ATOM 367 CG1 ILE A 25 1.967 3.101 -3.490 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.351 2.432 -3.904 1.00 0.39 C ATOM 369 CD1 ILE A 25 1.722 1.980 -2.501 1.00 1.05 C ATOM 0 H ILE A 25 1.168 3.558 -6.027 1.00 0.27 H new ATOM 0 HA ILE A 25 3.439 4.831 -4.992 1.00 0.30 H new ATOM 0 HB ILE A 25 2.675 1.886 -5.109 1.00 0.33 H new ATOM 0 HG12 ILE A 25 2.289 3.989 -2.947 1.00 0.36 H new ATOM 0 HG13 ILE A 25 1.027 3.352 -3.982 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.221 1.604 -3.207 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.071 2.151 -4.672 1.00 0.39 H new ATOM 0 HG23 ILE A 25 4.718 3.305 -3.365 1.00 0.39 H new ATOM 0 HD11 ILE A 25 0.970 2.292 -1.776 1.00 1.05 H new ATOM 0 HD12 ILE A 25 1.369 1.096 -3.033 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.651 1.744 -1.981 1.00 1.05 H new ATOM 381 N ALA A 26 3.954 2.774 -7.533 1.00 0.31 N ATOM 382 CA ALA A 26 4.915 2.381 -8.556 1.00 0.36 C ATOM 383 C ALA A 26 5.426 3.598 -9.316 1.00 0.38 C ATOM 384 O ALA A 26 6.608 3.685 -9.650 1.00 0.40 O ATOM 385 CB ALA A 26 4.290 1.382 -9.517 1.00 0.42 C ATOM 0 H ALA A 26 3.030 2.355 -7.641 1.00 0.31 H new ATOM 0 HA ALA A 26 5.762 1.906 -8.061 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.021 1.099 -10.274 1.00 0.42 H new ATOM 0 HB2 ALA A 26 3.976 0.495 -8.967 1.00 0.42 H new ATOM 0 HB3 ALA A 26 3.424 1.835 -10.000 1.00 0.42 H new ATOM 391 N ASP A 27 4.527 4.538 -9.568 1.00 0.40 N ATOM 392 CA ASP A 27 4.871 5.767 -10.271 1.00 0.47 C ATOM 393 C ASP A 27 5.728 6.669 -9.396 1.00 0.45 C ATOM 394 O ASP A 27 6.715 7.247 -9.858 1.00 0.48 O ATOM 395 CB ASP A 27 3.604 6.512 -10.691 1.00 0.56 C ATOM 396 CG ASP A 27 3.905 7.857 -11.319 1.00 0.72 C ATOM 397 OD1 ASP A 27 4.258 7.893 -12.519 1.00 0.86 O ATOM 398 OD2 ASP A 27 3.793 8.882 -10.618 1.00 0.80 O ATOM 0 H ASP A 27 3.547 4.473 -9.294 1.00 0.40 H new ATOM 0 HA ASP A 27 5.441 5.498 -11.160 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.045 5.901 -11.399 1.00 0.56 H new ATOM 0 HB3 ASP A 27 2.965 6.656 -9.820 1.00 0.56 H new ATOM 403 N LEU A 28 5.364 6.757 -8.126 1.00 0.42 N ATOM 404 CA LEU A 28 6.052 7.627 -7.185 1.00 0.46 C ATOM 405 C LEU A 28 7.479 7.143 -6.953 1.00 0.44 C ATOM 406 O LEU A 28 8.393 7.942 -6.765 1.00 0.49 O ATOM 407 CB LEU A 28 5.284 7.675 -5.859 1.00 0.49 C ATOM 408 CG LEU A 28 5.846 8.625 -4.797 1.00 0.90 C ATOM 409 CD1 LEU A 28 5.822 10.061 -5.294 1.00 1.69 C ATOM 410 CD2 LEU A 28 5.057 8.495 -3.503 1.00 1.44 C ATOM 0 H LEU A 28 4.589 6.232 -7.721 1.00 0.42 H new ATOM 0 HA LEU A 28 6.095 8.632 -7.606 1.00 0.46 H new ATOM 0 HB2 LEU A 28 4.254 7.963 -6.068 1.00 0.49 H new ATOM 0 HB3 LEU A 28 5.256 6.669 -5.441 1.00 0.49 H new ATOM 0 HG LEU A 28 6.883 8.350 -4.602 1.00 0.90 H new ATOM 0 HD11 LEU A 28 6.225 10.719 -4.524 1.00 1.69 H new ATOM 0 HD12 LEU A 28 6.428 10.144 -6.196 1.00 1.69 H new ATOM 0 HD13 LEU A 28 4.796 10.351 -5.518 1.00 1.69 H new ATOM 0 HD21 LEU A 28 5.467 9.176 -2.757 1.00 1.44 H new ATOM 0 HD22 LEU A 28 4.012 8.745 -3.687 1.00 1.44 H new ATOM 0 HD23 LEU A 28 5.126 7.471 -3.136 1.00 1.44 H new ATOM 422 N LEU A 29 7.663 5.830 -6.989 1.00 0.40 N ATOM 423 CA LEU A 29 8.981 5.236 -6.807 1.00 0.41 C ATOM 424 C LEU A 29 9.728 5.158 -8.134 1.00 0.44 C ATOM 425 O LEU A 29 10.814 4.582 -8.209 1.00 0.48 O ATOM 426 CB LEU A 29 8.855 3.832 -6.209 1.00 0.38 C ATOM 427 CG LEU A 29 8.103 3.747 -4.881 1.00 0.39 C ATOM 428 CD1 LEU A 29 7.970 2.299 -4.437 1.00 0.41 C ATOM 429 CD2 LEU A 29 8.801 4.569 -3.809 1.00 0.49 C ATOM 0 H LEU A 29 6.914 5.154 -7.143 1.00 0.40 H new ATOM 0 HA LEU A 29 9.544 5.871 -6.122 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.352 3.192 -6.933 1.00 0.38 H new ATOM 0 HB3 LEU A 29 9.856 3.426 -6.066 1.00 0.38 H new ATOM 0 HG LEU A 29 7.105 4.159 -5.029 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.432 2.257 -3.490 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.421 1.736 -5.192 1.00 0.41 H new ATOM 0 HD13 LEU A 29 8.962 1.865 -4.311 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.247 4.493 -2.873 1.00 0.49 H new ATOM 0 HD22 LEU A 29 9.813 4.192 -3.663 1.00 0.49 H new ATOM 0 HD23 LEU A 29 8.844 5.613 -4.121 1.00 0.49 H new ATOM 441 N ASN A 30 9.120 5.720 -9.180 1.00 0.45 N ATOM 442 CA ASN A 30 9.703 5.741 -10.524 1.00 0.51 C ATOM 443 C ASN A 30 10.008 4.332 -11.021 1.00 0.49 C ATOM 444 O ASN A 30 10.963 4.113 -11.768 1.00 0.55 O ATOM 445 CB ASN A 30 10.964 6.614 -10.571 1.00 0.60 C ATOM 446 CG ASN A 30 10.650 8.096 -10.464 1.00 0.79 C ATOM 447 OD1 ASN A 30 10.394 8.759 -11.467 1.00 1.36 O ATOM 448 ND2 ASN A 30 10.674 8.632 -9.252 1.00 1.44 N ATOM 0 H ASN A 30 8.209 6.174 -9.120 1.00 0.45 H new ATOM 0 HA ASN A 30 8.961 6.180 -11.191 1.00 0.51 H new ATOM 0 HB2 ASN A 30 11.631 6.328 -9.758 1.00 0.60 H new ATOM 0 HB3 ASN A 30 11.498 6.425 -11.502 1.00 0.60 H new ATOM 0 HD21 ASN A 30 10.476 9.625 -9.130 1.00 1.44 H new ATOM 0 HD22 ASN A 30 10.890 8.051 -8.442 1.00 1.44 H new ATOM 455 N HIS A 31 9.174 3.383 -10.598 1.00 0.46 N ATOM 456 CA HIS A 31 9.301 1.979 -10.991 1.00 0.50 C ATOM 457 C HIS A 31 10.670 1.401 -10.631 1.00 0.55 C ATOM 458 O HIS A 31 11.200 0.548 -11.343 1.00 0.67 O ATOM 459 CB HIS A 31 9.037 1.804 -12.492 1.00 0.60 C ATOM 460 CG HIS A 31 7.623 2.096 -12.888 1.00 0.67 C ATOM 461 ND1 HIS A 31 6.607 1.174 -12.778 1.00 1.25 N ATOM 462 CD2 HIS A 31 7.056 3.220 -13.380 1.00 1.11 C ATOM 463 CE1 HIS A 31 5.476 1.720 -13.183 1.00 1.16 C ATOM 464 NE2 HIS A 31 5.719 2.962 -13.553 1.00 0.94 N ATOM 0 H HIS A 31 8.390 3.566 -9.972 1.00 0.46 H new ATOM 0 HA HIS A 31 8.548 1.426 -10.430 1.00 0.50 H new ATOM 0 HB2 HIS A 31 9.705 2.461 -13.049 1.00 0.60 H new ATOM 0 HB3 HIS A 31 9.283 0.782 -12.779 1.00 0.60 H new ATOM 0 HD2 HIS A 31 7.562 4.149 -13.597 1.00 1.11 H new ATOM 0 HE1 HIS A 31 4.513 1.232 -13.207 1.00 1.16 H new ATOM 0 HE2 HIS A 31 5.028 3.622 -13.909 1.00 0.94 H new ATOM 473 N ARG A 32 11.244 1.871 -9.529 1.00 0.53 N ATOM 474 CA ARG A 32 12.495 1.313 -9.027 1.00 0.61 C ATOM 475 C ARG A 32 12.209 0.126 -8.116 1.00 0.56 C ATOM 476 O ARG A 32 13.089 -0.686 -7.831 1.00 0.66 O ATOM 477 CB ARG A 32 13.294 2.373 -8.263 1.00 0.71 C ATOM 478 CG ARG A 32 13.755 3.541 -9.121 1.00 0.81 C ATOM 479 CD ARG A 32 14.461 4.592 -8.280 1.00 1.64 C ATOM 480 NE ARG A 32 13.597 5.112 -7.218 1.00 2.26 N ATOM 481 CZ ARG A 32 13.933 5.149 -5.928 1.00 3.24 C ATOM 482 NH1 ARG A 32 15.128 4.727 -5.537 1.00 3.73 N ATOM 483 NH2 ARG A 32 13.079 5.628 -5.033 1.00 4.08 N ATOM 0 H ARG A 32 10.865 2.634 -8.968 1.00 0.53 H new ATOM 0 HA ARG A 32 13.087 0.979 -9.879 1.00 0.61 H new ATOM 0 HB2 ARG A 32 12.682 2.755 -7.446 1.00 0.71 H new ATOM 0 HB3 ARG A 32 14.167 1.900 -7.813 1.00 0.71 H new ATOM 0 HG2 ARG A 32 14.428 3.181 -9.899 1.00 0.81 H new ATOM 0 HG3 ARG A 32 12.897 3.988 -9.623 1.00 0.81 H new ATOM 0 HD2 ARG A 32 15.359 4.160 -7.839 1.00 1.64 H new ATOM 0 HD3 ARG A 32 14.783 5.413 -8.920 1.00 1.64 H new ATOM 0 HE ARG A 32 12.679 5.469 -7.482 1.00 2.26 H new ATOM 0 HH11 ARG A 32 15.794 4.373 -6.224 1.00 3.73 H new ATOM 0 HH12 ARG A 32 15.381 4.757 -4.549 1.00 3.73 H new ATOM 0 HH21 ARG A 32 12.165 5.968 -5.331 1.00 4.08 H new ATOM 0 HH22 ARG A 32 13.336 5.656 -4.046 1.00 4.08 H new ATOM 497 N ALA A 33 10.969 0.040 -7.662 1.00 0.48 N ATOM 498 CA ALA A 33 10.526 -1.055 -6.815 1.00 0.45 C ATOM 499 C ALA A 33 9.295 -1.707 -7.421 1.00 0.43 C ATOM 500 O ALA A 33 8.550 -1.068 -8.168 1.00 0.49 O ATOM 501 CB ALA A 33 10.229 -0.550 -5.411 1.00 0.49 C ATOM 0 H ALA A 33 10.243 0.726 -7.870 1.00 0.48 H new ATOM 0 HA ALA A 33 11.320 -1.799 -6.748 1.00 0.45 H new ATOM 0 HB1 ALA A 33 9.898 -1.381 -4.788 1.00 0.49 H new ATOM 0 HB2 ALA A 33 11.131 -0.112 -4.983 1.00 0.49 H new ATOM 0 HB3 ALA A 33 9.445 0.206 -5.454 1.00 0.49 H new ATOM 507 N HIS A 34 9.081 -2.972 -7.098 1.00 0.39 N ATOM 508 CA HIS A 34 7.980 -3.737 -7.664 1.00 0.41 C ATOM 509 C HIS A 34 6.833 -3.805 -6.670 1.00 0.36 C ATOM 510 O HIS A 34 7.026 -4.175 -5.516 1.00 0.34 O ATOM 511 CB HIS A 34 8.457 -5.154 -8.024 1.00 0.48 C ATOM 512 CG HIS A 34 7.420 -6.006 -8.698 1.00 0.59 C ATOM 513 ND1 HIS A 34 7.343 -6.156 -10.065 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.428 -6.777 -8.182 1.00 0.63 C ATOM 515 CE1 HIS A 34 6.352 -6.978 -10.361 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.782 -7.368 -9.237 1.00 0.80 N ATOM 0 H HIS A 34 9.660 -3.495 -6.441 1.00 0.39 H new ATOM 0 HA HIS A 34 7.631 -3.243 -8.571 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.326 -5.076 -8.677 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.786 -5.656 -7.114 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.192 -6.901 -7.135 1.00 0.63 H new ATOM 0 HE1 HIS A 34 6.058 -7.280 -11.355 1.00 0.89 H new ATOM 0 HE2 HIS A 34 4.989 -8.006 -9.165 1.00 0.80 H new ATOM 525 N THR A 35 5.642 -3.455 -7.117 1.00 0.38 N ATOM 526 CA THR A 35 4.478 -3.491 -6.255 1.00 0.36 C ATOM 527 C THR A 35 3.522 -4.592 -6.698 1.00 0.39 C ATOM 528 O THR A 35 3.296 -4.786 -7.893 1.00 0.45 O ATOM 529 CB THR A 35 3.757 -2.131 -6.244 1.00 0.41 C ATOM 530 OG1 THR A 35 3.497 -1.693 -7.588 1.00 0.49 O ATOM 531 CG2 THR A 35 4.599 -1.090 -5.523 1.00 0.41 C ATOM 0 H THR A 35 5.456 -3.143 -8.070 1.00 0.38 H new ATOM 0 HA THR A 35 4.815 -3.706 -5.241 1.00 0.36 H new ATOM 0 HB THR A 35 2.810 -2.250 -5.717 1.00 0.41 H new ATOM 0 HG1 THR A 35 2.939 -0.888 -7.567 1.00 0.49 H new ATOM 0 HG21 THR A 35 4.075 -0.134 -5.524 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.770 -1.409 -4.495 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.556 -0.980 -6.033 1.00 0.41 H new ATOM 539 N ASP A 36 2.976 -5.317 -5.734 1.00 0.38 N ATOM 540 CA ASP A 36 2.105 -6.446 -6.029 1.00 0.44 C ATOM 541 C ASP A 36 0.800 -6.334 -5.258 1.00 0.39 C ATOM 542 O ASP A 36 0.798 -6.240 -4.028 1.00 0.47 O ATOM 543 CB ASP A 36 2.800 -7.769 -5.690 1.00 0.56 C ATOM 544 CG ASP A 36 1.892 -8.969 -5.884 1.00 0.92 C ATOM 545 OD1 ASP A 36 1.507 -9.250 -7.038 1.00 1.07 O ATOM 546 OD2 ASP A 36 1.537 -9.623 -4.881 1.00 1.56 O ATOM 0 H ASP A 36 3.120 -5.144 -4.739 1.00 0.38 H new ATOM 0 HA ASP A 36 1.884 -6.430 -7.096 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.685 -7.882 -6.317 1.00 0.56 H new ATOM 0 HB3 ASP A 36 3.143 -7.741 -4.656 1.00 0.56 H new ATOM 551 N VAL A 37 -0.303 -6.327 -5.988 1.00 0.37 N ATOM 552 CA VAL A 37 -1.615 -6.242 -5.376 1.00 0.37 C ATOM 553 C VAL A 37 -2.126 -7.630 -5.023 1.00 0.36 C ATOM 554 O VAL A 37 -2.604 -8.367 -5.889 1.00 0.48 O ATOM 555 CB VAL A 37 -2.640 -5.554 -6.302 1.00 0.44 C ATOM 556 CG1 VAL A 37 -3.929 -5.270 -5.548 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.073 -4.273 -6.892 1.00 0.54 C ATOM 0 H VAL A 37 -0.314 -6.379 -7.007 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.506 -5.641 -4.473 1.00 0.37 H new ATOM 0 HB VAL A 37 -2.860 -6.233 -7.126 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -4.641 -4.785 -6.215 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.352 -6.207 -5.185 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -3.719 -4.615 -4.703 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -2.817 -3.810 -7.540 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -1.815 -3.585 -6.087 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.180 -4.504 -7.473 1.00 0.54 H new ATOM 567 N VAL A 38 -1.998 -7.993 -3.760 1.00 0.34 N ATOM 568 CA VAL A 38 -2.513 -9.259 -3.272 1.00 0.36 C ATOM 569 C VAL A 38 -4.032 -9.196 -3.194 1.00 0.42 C ATOM 570 O VAL A 38 -4.589 -8.377 -2.461 1.00 0.46 O ATOM 571 CB VAL A 38 -1.938 -9.607 -1.883 1.00 0.39 C ATOM 572 CG1 VAL A 38 -2.394 -10.985 -1.441 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.419 -9.523 -1.889 1.00 0.46 C ATOM 0 H VAL A 38 -1.538 -7.424 -3.049 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.207 -10.039 -3.969 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.317 -8.876 -1.169 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -1.976 -11.209 -0.459 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -3.482 -11.008 -1.386 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.051 -11.730 -2.159 1.00 0.45 H new ATOM 0 HG21 VAL A 38 -0.037 -9.772 -0.899 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.019 -10.225 -2.620 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.112 -8.511 -2.152 1.00 0.46 H new ATOM 583 N GLY A 39 -4.694 -10.048 -3.966 1.00 0.58 N ATOM 584 CA GLY A 39 -6.140 -10.004 -4.054 1.00 0.74 C ATOM 585 C GLY A 39 -6.828 -10.536 -2.817 1.00 0.69 C ATOM 586 O GLY A 39 -6.225 -11.267 -2.025 1.00 0.84 O ATOM 0 H GLY A 39 -4.253 -10.771 -4.535 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.456 -8.975 -4.224 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -6.463 -10.583 -4.919 1.00 0.74 H new ATOM 682 N THR A 47 -7.445 -7.679 0.794 1.00 0.89 N ATOM 683 CA THR A 47 -6.580 -7.132 -0.241 1.00 0.62 C ATOM 684 C THR A 47 -5.501 -6.237 0.374 1.00 0.51 C ATOM 685 O THR A 47 -5.762 -5.498 1.327 1.00 0.59 O ATOM 686 CB THR A 47 -7.405 -6.319 -1.264 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.448 -7.143 -1.803 1.00 0.76 O ATOM 688 CG2 THR A 47 -6.536 -5.793 -2.402 1.00 0.55 C ATOM 0 HA THR A 47 -6.100 -7.966 -0.753 1.00 0.62 H new ATOM 0 HB THR A 47 -7.832 -5.462 -0.743 1.00 0.62 H new ATOM 0 HG1 THR A 47 -8.270 -7.318 -2.751 1.00 0.76 H new ATOM 0 HG21 THR A 47 -7.153 -5.227 -3.100 1.00 0.55 H new ATOM 0 HG22 THR A 47 -5.759 -5.145 -1.997 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.074 -6.631 -2.924 1.00 0.55 H new ATOM 696 N GLN A 48 -4.299 -6.306 -0.181 1.00 0.40 N ATOM 697 CA GLN A 48 -3.169 -5.538 0.325 1.00 0.36 C ATOM 698 C GLN A 48 -2.131 -5.353 -0.769 1.00 0.33 C ATOM 699 O GLN A 48 -2.048 -6.158 -1.694 1.00 0.40 O ATOM 700 CB GLN A 48 -2.536 -6.233 1.535 1.00 0.36 C ATOM 701 CG GLN A 48 -2.167 -7.686 1.290 1.00 0.39 C ATOM 702 CD GLN A 48 -1.471 -8.322 2.478 1.00 0.49 C ATOM 703 OE1 GLN A 48 -0.732 -7.664 3.211 1.00 1.06 O ATOM 704 NE2 GLN A 48 -1.709 -9.607 2.687 1.00 1.04 N ATOM 0 H GLN A 48 -4.080 -6.890 -0.988 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.534 -4.561 0.641 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.640 -5.686 1.828 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.229 -6.182 2.374 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.069 -8.251 1.058 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.517 -7.749 0.417 1.00 0.39 H new ATOM 0 HE21 GLN A 48 -2.327 -10.120 2.058 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -1.274 -10.084 3.477 1.00 1.04 H new ATOM 713 N VAL A 49 -1.346 -4.296 -0.667 1.00 0.29 N ATOM 714 CA VAL A 49 -0.308 -4.042 -1.647 1.00 0.29 C ATOM 715 C VAL A 49 1.069 -4.108 -0.999 1.00 0.28 C ATOM 716 O VAL A 49 1.357 -3.407 -0.026 1.00 0.30 O ATOM 717 CB VAL A 49 -0.511 -2.684 -2.365 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.533 -1.529 -1.376 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.567 -2.469 -3.417 1.00 0.36 C ATOM 0 H VAL A 49 -1.407 -3.604 0.080 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.376 -4.823 -2.404 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.481 -2.713 -2.861 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.677 -0.592 -1.914 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.350 -1.671 -0.669 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.413 -1.495 -0.835 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.408 -1.510 -3.910 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.547 -2.473 -2.940 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.520 -3.269 -4.155 1.00 0.36 H new ATOM 729 N ARG A 50 1.896 -5.003 -1.508 1.00 0.31 N ATOM 730 CA ARG A 50 3.251 -5.157 -1.008 1.00 0.30 C ATOM 731 C ARG A 50 4.263 -4.529 -1.954 1.00 0.27 C ATOM 732 O ARG A 50 4.121 -4.605 -3.175 1.00 0.30 O ATOM 733 CB ARG A 50 3.575 -6.636 -0.777 1.00 0.34 C ATOM 734 CG ARG A 50 3.311 -7.524 -1.982 1.00 0.39 C ATOM 735 CD ARG A 50 3.628 -8.977 -1.680 1.00 0.52 C ATOM 736 NE ARG A 50 3.222 -9.868 -2.769 1.00 1.34 N ATOM 737 CZ ARG A 50 3.622 -11.131 -2.889 1.00 1.60 C ATOM 738 NH1 ARG A 50 4.436 -11.665 -1.989 1.00 1.15 N ATOM 739 NH2 ARG A 50 3.195 -11.860 -3.910 1.00 2.62 N ATOM 0 H ARG A 50 1.653 -5.636 -2.270 1.00 0.31 H new ATOM 0 HA ARG A 50 3.317 -4.634 -0.054 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.624 -6.727 -0.494 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.985 -6.999 0.065 1.00 0.34 H new ATOM 0 HG2 ARG A 50 2.267 -7.433 -2.281 1.00 0.39 H new ATOM 0 HG3 ARG A 50 3.915 -7.186 -2.824 1.00 0.39 H new ATOM 0 HD2 ARG A 50 4.698 -9.085 -1.504 1.00 0.52 H new ATOM 0 HD3 ARG A 50 3.122 -9.274 -0.761 1.00 0.52 H new ATOM 0 HE ARG A 50 2.593 -9.497 -3.481 1.00 1.34 H new ATOM 0 HH11 ARG A 50 4.759 -11.107 -1.199 1.00 1.15 H new ATOM 0 HH12 ARG A 50 4.739 -12.634 -2.087 1.00 1.15 H new ATOM 0 HH21 ARG A 50 2.563 -11.452 -4.599 1.00 2.62 H new ATOM 0 HH22 ARG A 50 3.498 -12.829 -4.007 1.00 2.62 H new ATOM 753 N ILE A 51 5.268 -3.893 -1.376 1.00 0.24 N ATOM 754 CA ILE A 51 6.341 -3.283 -2.137 1.00 0.23 C ATOM 755 C ILE A 51 7.616 -4.086 -1.931 1.00 0.24 C ATOM 756 O ILE A 51 8.098 -4.215 -0.805 1.00 0.27 O ATOM 757 CB ILE A 51 6.590 -1.823 -1.699 1.00 0.28 C ATOM 758 CG1 ILE A 51 5.267 -1.057 -1.611 1.00 0.34 C ATOM 759 CG2 ILE A 51 7.540 -1.135 -2.673 1.00 0.31 C ATOM 760 CD1 ILE A 51 5.414 0.351 -1.077 1.00 0.42 C ATOM 0 H ILE A 51 5.361 -3.786 -0.366 1.00 0.24 H new ATOM 0 HA ILE A 51 6.052 -3.279 -3.188 1.00 0.23 H new ATOM 0 HB ILE A 51 7.049 -1.830 -0.711 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.815 -1.015 -2.602 1.00 0.34 H new ATOM 0 HG13 ILE A 51 4.579 -1.609 -0.970 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.707 -0.107 -2.353 1.00 0.31 H new ATOM 0 HG22 ILE A 51 8.490 -1.668 -2.692 1.00 0.31 H new ATOM 0 HG23 ILE A 51 7.102 -1.138 -3.671 1.00 0.31 H new ATOM 0 HD11 ILE A 51 4.436 0.831 -1.043 1.00 0.42 H new ATOM 0 HD12 ILE A 51 5.836 0.317 -0.073 1.00 0.42 H new ATOM 0 HD13 ILE A 51 6.076 0.920 -1.730 1.00 0.42 H new ATOM 772 N VAL A 52 8.142 -4.636 -3.010 1.00 0.24 N ATOM 773 CA VAL A 52 9.311 -5.497 -2.939 1.00 0.30 C ATOM 774 C VAL A 52 10.423 -4.969 -3.841 1.00 0.34 C ATOM 775 O VAL A 52 10.162 -4.459 -4.935 1.00 0.33 O ATOM 776 CB VAL A 52 8.956 -6.950 -3.355 1.00 0.36 C ATOM 777 CG1 VAL A 52 10.153 -7.882 -3.213 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.773 -7.471 -2.548 1.00 0.38 C ATOM 0 H VAL A 52 7.776 -4.501 -3.953 1.00 0.24 H new ATOM 0 HA VAL A 52 9.657 -5.500 -1.905 1.00 0.30 H new ATOM 0 HB VAL A 52 8.675 -6.929 -4.408 1.00 0.36 H new ATOM 0 HG11 VAL A 52 9.867 -8.890 -3.513 1.00 0.46 H new ATOM 0 HG12 VAL A 52 10.965 -7.531 -3.849 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.485 -7.893 -2.175 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.543 -8.491 -2.857 1.00 0.38 H new ATOM 0 HG22 VAL A 52 8.024 -7.461 -1.487 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.905 -6.834 -2.722 1.00 0.38 H new ATOM 788 N ALA A 53 11.659 -5.074 -3.374 1.00 0.42 N ATOM 789 CA ALA A 53 12.816 -4.691 -4.170 1.00 0.53 C ATOM 790 C ALA A 53 13.469 -5.934 -4.775 1.00 0.73 C ATOM 791 O ALA A 53 14.197 -6.655 -4.092 1.00 0.93 O ATOM 792 CB ALA A 53 13.816 -3.921 -3.316 1.00 0.70 C ATOM 0 H ALA A 53 11.887 -5.423 -2.443 1.00 0.42 H new ATOM 0 HA ALA A 53 12.487 -4.041 -4.981 1.00 0.53 H new ATOM 0 HB1 ALA A 53 14.676 -3.642 -3.925 1.00 0.70 H new ATOM 0 HB2 ALA A 53 13.342 -3.022 -2.923 1.00 0.70 H new ATOM 0 HB3 ALA A 53 14.147 -4.548 -2.488 1.00 0.70 H new ATOM 941 N ALA A 63 21.422 -5.547 5.507 1.00 0.92 N ATOM 942 CA ALA A 63 21.263 -6.744 4.691 1.00 0.91 C ATOM 943 C ALA A 63 19.797 -7.154 4.606 1.00 0.78 C ATOM 944 O ALA A 63 19.447 -8.318 4.800 1.00 0.94 O ATOM 945 CB ALA A 63 22.105 -7.879 5.254 1.00 1.16 C ATOM 0 HA ALA A 63 21.608 -6.520 3.682 1.00 0.91 H new ATOM 0 HB1 ALA A 63 21.978 -8.768 4.636 1.00 1.16 H new ATOM 0 HB2 ALA A 63 23.155 -7.586 5.257 1.00 1.16 H new ATOM 0 HB3 ALA A 63 21.786 -8.097 6.273 1.00 1.16 H new ATOM 951 N HIS A 64 18.937 -6.184 4.333 1.00 0.60 N ATOM 952 CA HIS A 64 17.509 -6.432 4.227 1.00 0.51 C ATOM 953 C HIS A 64 16.914 -5.604 3.095 1.00 0.47 C ATOM 954 O HIS A 64 16.876 -4.374 3.174 1.00 0.48 O ATOM 955 CB HIS A 64 16.788 -6.086 5.537 1.00 0.54 C ATOM 956 CG HIS A 64 17.249 -6.875 6.726 1.00 0.73 C ATOM 957 ND1 HIS A 64 16.754 -8.120 7.047 1.00 0.99 N ATOM 958 CD2 HIS A 64 18.165 -6.583 7.680 1.00 1.01 C ATOM 959 CE1 HIS A 64 17.341 -8.556 8.145 1.00 1.13 C ATOM 960 NE2 HIS A 64 18.202 -7.643 8.550 1.00 1.10 N ATOM 0 H HIS A 64 19.207 -5.212 4.180 1.00 0.60 H new ATOM 0 HA HIS A 64 17.371 -7.493 4.020 1.00 0.51 H new ATOM 0 HB2 HIS A 64 16.927 -5.025 5.744 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.718 -6.247 5.402 1.00 0.54 H new ATOM 0 HD2 HIS A 64 18.757 -5.682 7.744 1.00 1.01 H new ATOM 0 HE1 HIS A 64 17.149 -9.501 8.630 1.00 1.13 H new ATOM 0 HE2 HIS A 64 18.798 -7.713 9.375 1.00 1.10 H new ATOM 969 N PRO A 65 16.467 -6.263 2.017 1.00 0.58 N ATOM 970 CA PRO A 65 15.788 -5.587 0.911 1.00 0.64 C ATOM 971 C PRO A 65 14.420 -5.070 1.344 1.00 0.53 C ATOM 972 O PRO A 65 13.773 -5.663 2.212 1.00 0.54 O ATOM 973 CB PRO A 65 15.642 -6.682 -0.148 1.00 0.84 C ATOM 974 CG PRO A 65 15.694 -7.962 0.610 1.00 1.08 C ATOM 975 CD PRO A 65 16.590 -7.715 1.791 1.00 0.77 C ATOM 0 HA PRO A 65 16.336 -4.717 0.550 1.00 0.64 H new ATOM 0 HB2 PRO A 65 14.702 -6.583 -0.691 1.00 0.84 H new ATOM 0 HB3 PRO A 65 16.443 -6.627 -0.885 1.00 0.84 H new ATOM 0 HG2 PRO A 65 14.698 -8.263 0.934 1.00 1.08 H new ATOM 0 HG3 PRO A 65 16.084 -8.767 -0.013 1.00 1.08 H new ATOM 0 HD2 PRO A 65 16.271 -8.286 2.663 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.620 -8.003 1.581 1.00 0.77 H new ATOM 983 N LEU A 66 13.992 -3.960 0.755 1.00 0.50 N ATOM 984 CA LEU A 66 12.715 -3.354 1.105 1.00 0.44 C ATOM 985 C LEU A 66 11.578 -4.335 0.838 1.00 0.35 C ATOM 986 O LEU A 66 11.399 -4.810 -0.287 1.00 0.37 O ATOM 987 CB LEU A 66 12.514 -2.050 0.321 1.00 0.52 C ATOM 988 CG LEU A 66 11.382 -1.133 0.808 1.00 0.71 C ATOM 989 CD1 LEU A 66 11.629 0.294 0.348 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.030 -1.607 0.296 1.00 1.05 C ATOM 0 H LEU A 66 14.511 -3.462 0.032 1.00 0.50 H new ATOM 0 HA LEU A 66 12.714 -3.113 2.168 1.00 0.44 H new ATOM 0 HB2 LEU A 66 13.447 -1.487 0.348 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.325 -2.303 -0.722 1.00 0.52 H new ATOM 0 HG LEU A 66 11.370 -1.168 1.897 1.00 0.71 H new ATOM 0 HD11 LEU A 66 10.820 0.935 0.699 1.00 1.20 H new ATOM 0 HD12 LEU A 66 12.576 0.649 0.755 1.00 1.20 H new ATOM 0 HD13 LEU A 66 11.669 0.324 -0.741 1.00 1.20 H new ATOM 0 HD21 LEU A 66 9.249 -0.938 0.657 1.00 1.05 H new ATOM 0 HD22 LEU A 66 10.033 -1.606 -0.794 1.00 1.05 H new ATOM 0 HD23 LEU A 66 9.838 -2.617 0.657 1.00 1.05 H new ATOM 1002 N ASN A 67 10.834 -4.646 1.889 1.00 0.32 N ATOM 1003 CA ASN A 67 9.713 -5.567 1.804 1.00 0.31 C ATOM 1004 C ASN A 67 8.594 -5.082 2.712 1.00 0.30 C ATOM 1005 O ASN A 67 8.516 -5.461 3.889 1.00 0.40 O ATOM 1006 CB ASN A 67 10.144 -6.981 2.213 1.00 0.42 C ATOM 1007 CG ASN A 67 9.062 -8.015 1.957 1.00 0.51 C ATOM 1008 OD1 ASN A 67 9.046 -8.668 0.914 1.00 0.63 O ATOM 1009 ND2 ASN A 67 8.145 -8.163 2.899 1.00 0.54 N ATOM 0 H ASN A 67 10.991 -4.267 2.823 1.00 0.32 H new ATOM 0 HA ASN A 67 9.359 -5.601 0.773 1.00 0.31 H new ATOM 0 HB2 ASN A 67 11.043 -7.257 1.662 1.00 0.42 H new ATOM 0 HB3 ASN A 67 10.404 -6.986 3.271 1.00 0.42 H new ATOM 0 HD21 ASN A 67 7.390 -8.837 2.774 1.00 0.54 H new ATOM 0 HD22 ASN A 67 8.193 -7.603 3.750 1.00 0.54 H new ATOM 1016 N LEU A 68 7.741 -4.233 2.166 1.00 0.26 N ATOM 1017 CA LEU A 68 6.686 -3.596 2.939 1.00 0.24 C ATOM 1018 C LEU A 68 5.314 -4.104 2.522 1.00 0.23 C ATOM 1019 O LEU A 68 5.026 -4.235 1.337 1.00 0.25 O ATOM 1020 CB LEU A 68 6.761 -2.075 2.752 1.00 0.26 C ATOM 1021 CG LEU A 68 5.629 -1.267 3.392 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.699 -1.336 4.906 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.681 0.178 2.922 1.00 0.32 C ATOM 0 H LEU A 68 7.758 -3.966 1.182 1.00 0.26 H new ATOM 0 HA LEU A 68 6.831 -3.845 3.990 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.708 -1.724 3.161 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.776 -1.860 1.684 1.00 0.26 H new ATOM 0 HG LEU A 68 4.681 -1.703 3.079 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.884 -0.754 5.335 1.00 0.31 H new ATOM 0 HD12 LEU A 68 5.612 -2.374 5.227 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.652 -0.930 5.245 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.870 0.741 3.385 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.637 0.619 3.206 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.573 0.212 1.838 1.00 0.32 H new ATOM 1035 N ALA A 69 4.481 -4.398 3.504 1.00 0.24 N ATOM 1036 CA ALA A 69 3.094 -4.756 3.253 1.00 0.25 C ATOM 1037 C ALA A 69 2.176 -3.696 3.836 1.00 0.24 C ATOM 1038 O ALA A 69 2.414 -3.199 4.938 1.00 0.28 O ATOM 1039 CB ALA A 69 2.772 -6.121 3.838 1.00 0.30 C ATOM 0 H ALA A 69 4.742 -4.396 4.490 1.00 0.24 H new ATOM 0 HA ALA A 69 2.937 -4.809 2.176 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.729 -6.366 3.637 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.416 -6.873 3.382 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.940 -6.104 4.915 1.00 0.30 H new ATOM 1045 N LEU A 70 1.133 -3.353 3.101 1.00 0.22 N ATOM 1046 CA LEU A 70 0.237 -2.281 3.502 1.00 0.22 C ATOM 1047 C LEU A 70 -1.190 -2.785 3.606 1.00 0.23 C ATOM 1048 O LEU A 70 -1.747 -3.296 2.634 1.00 0.28 O ATOM 1049 CB LEU A 70 0.302 -1.129 2.491 1.00 0.23 C ATOM 1050 CG LEU A 70 1.640 -0.390 2.411 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.624 0.611 1.273 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.942 0.314 3.724 1.00 0.25 C ATOM 0 H LEU A 70 0.884 -3.803 2.220 1.00 0.22 H new ATOM 0 HA LEU A 70 0.555 -1.921 4.480 1.00 0.22 H new ATOM 0 HB2 LEU A 70 0.066 -1.524 1.503 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.476 -0.407 2.740 1.00 0.23 H new ATOM 0 HG LEU A 70 2.425 -1.123 2.222 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.583 1.128 1.230 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.450 0.089 0.332 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.828 1.337 1.438 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.897 0.833 3.647 1.00 0.25 H new ATOM 0 HD22 LEU A 70 1.153 1.035 3.940 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.992 -0.421 4.528 1.00 0.25 H new ATOM 1064 N THR A 71 -1.781 -2.645 4.785 1.00 0.21 N ATOM 1065 CA THR A 71 -3.168 -3.017 4.989 1.00 0.23 C ATOM 1066 C THR A 71 -3.918 -1.847 5.618 1.00 0.22 C ATOM 1067 O THR A 71 -3.331 -1.064 6.368 1.00 0.21 O ATOM 1068 CB THR A 71 -3.293 -4.267 5.894 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.564 -4.068 7.112 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.770 -5.515 5.194 1.00 0.52 C ATOM 0 H THR A 71 -1.317 -2.275 5.615 1.00 0.21 H new ATOM 0 HA THR A 71 -3.603 -3.262 4.020 1.00 0.23 H new ATOM 0 HB THR A 71 -4.351 -4.411 6.114 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.698 -3.655 6.911 1.00 0.75 H new ATOM 0 HG21 THR A 71 -2.872 -6.374 5.857 1.00 0.52 H new ATOM 0 HG22 THR A 71 -3.344 -5.689 4.284 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.719 -5.376 4.940 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.204 -1.731 5.327 1.00 0.25 N ATOM 1079 CA TRP A 72 -5.991 -0.601 5.802 1.00 0.27 C ATOM 1080 C TRP A 72 -7.236 -1.073 6.532 1.00 0.28 C ATOM 1081 O TRP A 72 -7.772 -2.145 6.247 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.381 0.314 4.636 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.225 1.060 4.039 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -4.752 2.281 4.427 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.405 0.645 2.939 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -3.685 2.645 3.644 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.453 1.661 2.723 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.379 -0.485 2.118 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.490 1.580 1.723 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.422 -0.564 1.125 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.490 0.464 0.936 1.00 0.31 C ATOM 0 H TRP A 72 -5.726 -2.404 4.765 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.375 -0.036 6.501 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -6.855 -0.286 3.859 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.124 1.032 4.983 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.158 2.874 5.233 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.151 3.510 3.734 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.094 -1.282 2.257 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -1.769 2.370 1.574 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.392 -1.433 0.484 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -1.755 0.372 0.150 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.672 -0.261 7.486 1.00 0.31 N ATOM 1103 CA ASN A 73 -8.851 -0.552 8.292 1.00 0.35 C ATOM 1104 C ASN A 73 -10.094 -0.645 7.419 1.00 0.31 C ATOM 1105 O ASN A 73 -10.345 0.213 6.572 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.029 0.531 9.358 1.00 0.45 C ATOM 1107 CG ASN A 73 -7.940 0.476 10.415 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.454 -0.603 10.760 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -7.531 1.631 10.921 1.00 0.94 N ATOM 0 H ASN A 73 -7.217 0.620 7.724 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.710 -1.516 8.781 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.023 1.512 8.882 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.002 0.414 9.834 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -6.789 1.647 11.621 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -7.958 2.504 10.610 1.00 0.94 H new ATOM 1116 N THR A 74 -10.869 -1.700 7.647 1.00 0.36 N ATOM 1117 CA THR A 74 -12.028 -2.018 6.825 1.00 0.38 C ATOM 1118 C THR A 74 -13.072 -0.901 6.848 1.00 0.37 C ATOM 1119 O THR A 74 -13.809 -0.724 5.883 1.00 0.38 O ATOM 1120 CB THR A 74 -12.664 -3.344 7.287 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.641 -4.346 7.387 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.742 -3.817 6.318 1.00 0.71 C ATOM 0 H THR A 74 -10.710 -2.359 8.409 1.00 0.36 H new ATOM 0 HA THR A 74 -11.678 -2.122 5.798 1.00 0.38 H new ATOM 0 HB THR A 74 -13.133 -3.178 8.257 1.00 0.50 H new ATOM 0 HG1 THR A 74 -12.039 -5.192 7.682 1.00 0.74 H new ATOM 0 HG21 THR A 74 -14.168 -4.754 6.676 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.527 -3.064 6.251 1.00 0.71 H new ATOM 0 HG23 THR A 74 -13.303 -3.971 5.332 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.123 -0.145 7.944 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.022 1.007 8.039 1.00 0.45 C ATOM 1132 C ASP A 75 -13.724 1.989 6.921 1.00 0.40 C ATOM 1133 O ASP A 75 -14.623 2.458 6.220 1.00 0.44 O ATOM 1134 CB ASP A 75 -13.869 1.720 9.387 1.00 0.55 C ATOM 1135 CG ASP A 75 -14.304 0.866 10.556 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -15.523 0.675 10.736 1.00 1.37 O ATOM 1137 OD2 ASP A 75 -13.427 0.378 11.301 1.00 1.98 O ATOM 0 H ASP A 75 -12.555 -0.307 8.776 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.045 0.641 7.951 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -12.827 2.010 9.523 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -14.456 2.638 9.376 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.443 2.292 6.775 1.00 0.39 N ATOM 1143 CA GLU A 76 -11.964 3.165 5.717 1.00 0.44 C ATOM 1144 C GLU A 76 -12.357 2.617 4.351 1.00 0.38 C ATOM 1145 O GLU A 76 -12.851 3.351 3.498 1.00 0.41 O ATOM 1146 CB GLU A 76 -10.445 3.294 5.797 1.00 0.53 C ATOM 1147 CG GLU A 76 -9.936 3.637 7.182 1.00 0.85 C ATOM 1148 CD GLU A 76 -10.423 4.982 7.666 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -9.902 6.009 7.196 1.00 1.25 O ATOM 1150 OE2 GLU A 76 -11.338 5.022 8.517 1.00 1.57 O ATOM 0 H GLU A 76 -11.707 1.939 7.387 1.00 0.39 H new ATOM 0 HA GLU A 76 -12.420 4.146 5.847 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -9.992 2.356 5.475 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.117 4.063 5.098 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -10.255 2.866 7.883 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -8.846 3.631 7.176 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.143 1.320 4.161 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.480 0.652 2.904 1.00 0.34 C ATOM 1159 C ILE A 77 -13.965 0.817 2.568 1.00 0.34 C ATOM 1160 O ILE A 77 -14.323 1.109 1.425 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.129 -0.855 2.969 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.634 -1.050 3.266 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.509 -1.553 1.667 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.212 -2.505 3.353 1.00 0.40 C ATOM 0 H ILE A 77 -11.735 0.705 4.865 1.00 0.34 H new ATOM 0 HA ILE A 77 -11.889 1.123 2.118 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.703 -1.304 3.780 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -10.051 -0.558 2.487 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.392 -0.554 4.206 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.254 -2.611 1.733 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.581 -1.448 1.497 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -11.964 -1.100 0.839 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.144 -2.562 3.565 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.767 -2.998 4.151 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.421 -3.002 2.406 1.00 0.40 H new ATOM 1176 N GLU A 78 -14.820 0.654 3.569 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.260 0.789 3.380 1.00 0.37 C ATOM 1178 C GLU A 78 -16.626 2.220 3.003 1.00 0.38 C ATOM 1179 O GLU A 78 -17.494 2.449 2.158 1.00 0.40 O ATOM 1180 CB GLU A 78 -17.001 0.372 4.652 1.00 0.43 C ATOM 1181 CG GLU A 78 -16.786 -1.087 5.024 1.00 0.64 C ATOM 1182 CD GLU A 78 -17.427 -1.454 6.343 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -16.913 -1.037 7.401 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -18.448 -2.175 6.332 1.00 2.15 O ATOM 0 H GLU A 78 -14.541 0.427 4.524 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.561 0.133 2.563 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.673 1.002 5.478 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -18.068 0.552 4.518 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -17.194 -1.722 4.238 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -15.716 -1.291 5.076 1.00 0.64 H new ATOM 1191 N ARG A 79 -15.950 3.177 3.623 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.199 4.588 3.366 1.00 0.45 C ATOM 1193 C ARG A 79 -15.778 4.969 1.947 1.00 0.42 C ATOM 1194 O ARG A 79 -16.359 5.869 1.340 1.00 0.45 O ATOM 1195 CB ARG A 79 -15.455 5.451 4.392 1.00 0.56 C ATOM 1196 CG ARG A 79 -15.849 6.922 4.367 1.00 1.06 C ATOM 1197 CD ARG A 79 -15.148 7.708 5.465 1.00 1.60 C ATOM 1198 NE ARG A 79 -13.711 7.849 5.219 1.00 2.14 N ATOM 1199 CZ ARG A 79 -12.760 7.302 5.983 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -13.087 6.532 7.013 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -11.477 7.521 5.716 1.00 3.96 N ATOM 0 H ARG A 79 -15.220 3.000 4.313 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.270 4.769 3.461 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -15.641 5.053 5.389 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -14.383 5.369 4.211 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -15.599 7.350 3.396 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -16.929 7.012 4.487 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -15.599 8.697 5.545 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -15.303 7.209 6.421 1.00 1.60 H new ATOM 0 HE ARG A 79 -13.417 8.400 4.413 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -14.069 6.354 7.226 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -12.357 6.118 7.592 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -11.214 8.109 4.925 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -10.755 7.101 6.302 1.00 3.96 H new ATOM 1215 N LEU A 80 -14.779 4.266 1.417 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.260 4.555 0.081 1.00 0.44 C ATOM 1217 C LEU A 80 -15.307 4.284 -0.994 1.00 0.47 C ATOM 1218 O LEU A 80 -15.258 4.865 -2.077 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.004 3.730 -0.213 1.00 0.48 C ATOM 1220 CG LEU A 80 -11.800 4.009 0.692 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -10.593 3.213 0.222 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -11.473 5.496 0.733 1.00 0.55 C ATOM 0 H LEU A 80 -14.313 3.493 1.892 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.004 5.614 0.062 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.259 2.673 -0.133 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -12.708 3.909 -1.247 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.058 3.695 1.704 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -9.744 3.420 0.874 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -10.824 2.148 0.255 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -10.344 3.499 -0.800 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -10.614 5.662 1.383 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.239 5.845 -0.273 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.331 6.047 1.118 1.00 0.55 H new ATOM 1234 N MET A 81 -16.259 3.406 -0.686 1.00 0.49 N ATOM 1235 CA MET A 81 -17.299 3.027 -1.643 1.00 0.57 C ATOM 1236 C MET A 81 -18.222 4.200 -1.956 1.00 0.53 C ATOM 1237 O MET A 81 -18.950 4.180 -2.948 1.00 0.61 O ATOM 1238 CB MET A 81 -18.128 1.862 -1.097 1.00 0.67 C ATOM 1239 CG MET A 81 -17.319 0.604 -0.823 1.00 0.79 C ATOM 1240 SD MET A 81 -18.320 -0.729 -0.126 1.00 1.85 S ATOM 1241 CE MET A 81 -19.495 -1.010 -1.450 1.00 2.59 C ATOM 0 H MET A 81 -16.333 2.943 0.220 1.00 0.49 H new ATOM 0 HA MET A 81 -16.801 2.722 -2.563 1.00 0.57 H new ATOM 0 HB2 MET A 81 -18.615 2.177 -0.174 1.00 0.67 H new ATOM 0 HB3 MET A 81 -18.918 1.626 -1.810 1.00 0.67 H new ATOM 0 HG2 MET A 81 -16.861 0.262 -1.751 1.00 0.79 H new ATOM 0 HG3 MET A 81 -16.507 0.841 -0.135 1.00 0.79 H new ATOM 0 HE1 MET A 81 -19.628 -2.082 -1.597 1.00 2.59 H new ATOM 0 HE2 MET A 81 -20.452 -0.558 -1.189 1.00 2.59 H new ATOM 0 HE3 MET A 81 -19.121 -0.561 -2.370 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.185 5.220 -1.114 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.055 6.372 -1.279 1.00 0.48 C ATOM 1253 C GLU A 82 -18.359 7.462 -2.094 1.00 0.43 C ATOM 1254 O GLU A 82 -17.137 7.430 -2.248 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.471 6.907 0.094 1.00 0.56 C ATOM 1256 CG GLU A 82 -20.172 5.875 0.961 1.00 1.21 C ATOM 1257 CD GLU A 82 -21.504 5.434 0.390 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -21.517 4.517 -0.458 1.00 2.34 O ATOM 1259 OE2 GLU A 82 -22.544 6.000 0.779 1.00 1.61 O ATOM 0 H GLU A 82 -17.561 5.273 -0.309 1.00 0.47 H new ATOM 0 HA GLU A 82 -19.948 6.064 -1.823 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -18.586 7.268 0.617 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -20.132 7.763 -0.044 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -19.526 5.005 1.076 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -20.328 6.290 1.957 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.123 8.417 -2.619 1.00 0.52 N ATOM 1267 CA ALA A 83 -18.560 9.473 -3.463 1.00 0.61 C ATOM 1268 C ALA A 83 -17.476 10.267 -2.733 1.00 0.55 C ATOM 1269 O ALA A 83 -16.369 10.446 -3.253 1.00 0.57 O ATOM 1270 CB ALA A 83 -19.659 10.403 -3.954 1.00 0.79 C ATOM 0 H ALA A 83 -20.131 8.483 -2.477 1.00 0.52 H new ATOM 0 HA ALA A 83 -18.092 8.992 -4.322 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -19.224 11.182 -4.580 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -20.385 9.834 -4.535 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.157 10.860 -3.099 1.00 0.79 H new ATOM 1276 N ASP A 84 -17.787 10.720 -1.519 1.00 0.57 N ATOM 1277 CA ASP A 84 -16.830 11.483 -0.714 1.00 0.61 C ATOM 1278 C ASP A 84 -15.651 10.600 -0.327 1.00 0.49 C ATOM 1279 O ASP A 84 -14.565 11.084 -0.012 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.503 12.043 0.548 1.00 0.77 C ATOM 1281 CG ASP A 84 -16.593 12.964 1.339 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -16.486 14.152 0.979 1.00 1.47 O ATOM 1283 OD2 ASP A 84 -15.999 12.508 2.342 1.00 1.76 O ATOM 0 H ASP A 84 -18.691 10.573 -1.071 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.469 12.320 -1.312 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -18.404 12.586 0.263 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -17.817 11.216 1.184 1.00 0.77 H new ATOM 1288 N GLY A 85 -15.869 9.294 -0.388 1.00 0.43 N ATOM 1289 CA GLY A 85 -14.827 8.348 -0.073 1.00 0.41 C ATOM 1290 C GLY A 85 -13.794 8.282 -1.177 1.00 0.38 C ATOM 1291 O GLY A 85 -12.593 8.300 -0.912 1.00 0.39 O ATOM 0 H GLY A 85 -16.759 8.873 -0.653 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.345 8.632 0.863 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.263 7.361 0.080 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.262 8.200 -2.419 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.384 8.261 -3.579 1.00 0.46 C ATOM 1297 C ALA A 86 -12.589 9.563 -3.598 1.00 0.45 C ATOM 1298 O ALA A 86 -11.398 9.574 -3.916 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.192 8.114 -4.859 1.00 0.57 C ATOM 0 H ALA A 86 -15.250 8.091 -2.647 1.00 0.41 H new ATOM 0 HA ALA A 86 -12.676 7.435 -3.513 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -13.524 8.161 -5.719 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -14.710 7.155 -4.854 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -14.923 8.920 -4.923 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.251 10.659 -3.246 1.00 0.47 N ATOM 1306 CA ALA A 87 -12.594 11.960 -3.171 1.00 0.53 C ATOM 1307 C ALA A 87 -11.543 11.959 -2.067 1.00 0.48 C ATOM 1308 O ALA A 87 -10.502 12.610 -2.177 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.620 13.061 -2.938 1.00 0.63 C ATOM 0 H ALA A 87 -14.243 10.673 -3.008 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.095 12.154 -4.120 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.114 14.025 -2.885 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.335 13.072 -3.761 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.147 12.875 -2.002 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.817 11.206 -1.011 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.887 11.068 0.100 1.00 0.48 C ATOM 1317 C ARG A 88 -9.657 10.291 -0.355 1.00 0.40 C ATOM 1318 O ARG A 88 -8.531 10.606 0.027 1.00 0.42 O ATOM 1319 CB ARG A 88 -11.567 10.343 1.264 1.00 0.56 C ATOM 1320 CG ARG A 88 -10.890 10.557 2.607 1.00 0.96 C ATOM 1321 CD ARG A 88 -10.952 12.017 3.022 1.00 1.41 C ATOM 1322 NE ARG A 88 -12.309 12.549 2.925 1.00 1.91 N ATOM 1323 CZ ARG A 88 -12.603 13.846 2.937 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -11.642 14.752 3.096 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -13.862 14.240 2.793 1.00 3.71 N ATOM 0 H ARG A 88 -12.683 10.678 -0.901 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.579 12.058 0.436 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -12.602 10.679 1.333 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -11.592 9.275 1.048 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -11.373 9.939 3.364 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -9.850 10.236 2.549 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -10.593 12.120 4.046 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -10.285 12.604 2.390 1.00 1.41 H new ATOM 0 HE ARG A 88 -13.079 11.885 2.843 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -10.673 14.453 3.210 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -11.874 15.745 3.104 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -14.602 13.549 2.673 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -14.089 15.234 2.802 1.00 3.71 H new ATOM 1339 N PHE A 89 -9.893 9.284 -1.188 1.00 0.35 N ATOM 1340 CA PHE A 89 -8.821 8.482 -1.764 1.00 0.34 C ATOM 1341 C PHE A 89 -7.901 9.358 -2.604 1.00 0.33 C ATOM 1342 O PHE A 89 -6.683 9.186 -2.597 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.408 7.354 -2.622 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.378 6.433 -3.213 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -7.688 5.540 -2.409 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.100 6.457 -4.571 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -6.744 4.693 -2.946 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.156 5.609 -5.112 1.00 0.54 C ATOM 1349 CZ PHE A 89 -6.476 4.726 -4.300 1.00 0.58 C ATOM 0 H PHE A 89 -10.828 9.002 -1.482 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.240 8.041 -0.955 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.096 6.769 -2.012 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -9.993 7.793 -3.430 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -7.893 5.508 -1.349 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -8.628 7.147 -5.212 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -6.213 4.003 -2.307 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -6.949 5.637 -6.172 1.00 0.54 H new ATOM 0 HZ PHE A 89 -5.736 4.062 -4.722 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.495 10.314 -3.306 1.00 0.35 N ATOM 1360 CA GLU A 90 -7.744 11.232 -4.145 1.00 0.39 C ATOM 1361 C GLU A 90 -6.791 12.068 -3.295 1.00 0.38 C ATOM 1362 O GLU A 90 -5.631 12.284 -3.659 1.00 0.41 O ATOM 1363 CB GLU A 90 -8.711 12.147 -4.900 1.00 0.47 C ATOM 1364 CG GLU A 90 -8.029 13.125 -5.840 1.00 0.70 C ATOM 1365 CD GLU A 90 -8.986 14.159 -6.385 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -9.730 13.843 -7.338 1.00 2.10 O ATOM 1367 OE2 GLU A 90 -9.000 15.295 -5.870 1.00 1.67 O ATOM 0 H GLU A 90 -9.503 10.473 -3.309 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.158 10.657 -4.862 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.405 11.532 -5.473 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -9.304 12.707 -4.177 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -7.218 13.627 -5.313 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -7.580 12.577 -6.668 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.281 12.514 -2.146 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.486 13.338 -1.252 1.00 0.44 C ATOM 1376 C ARG A 91 -5.420 12.490 -0.564 1.00 0.37 C ATOM 1377 O ARG A 91 -4.359 12.989 -0.191 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.387 14.017 -0.217 1.00 0.53 C ATOM 1379 CG ARG A 91 -6.714 15.156 0.536 1.00 0.73 C ATOM 1380 CD ARG A 91 -6.246 16.247 -0.417 1.00 1.31 C ATOM 1381 NE ARG A 91 -7.329 16.717 -1.281 1.00 2.11 N ATOM 1382 CZ ARG A 91 -7.161 17.147 -2.532 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -5.947 17.204 -3.068 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -8.210 17.532 -3.244 1.00 4.06 N ATOM 0 H ARG A 91 -8.225 12.318 -1.813 1.00 0.39 H new ATOM 0 HA ARG A 91 -5.988 14.112 -1.835 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.275 14.401 -0.719 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -7.725 13.270 0.501 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -7.410 15.577 1.261 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -5.863 14.771 1.098 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -5.849 17.085 0.157 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -5.430 15.867 -1.032 1.00 1.31 H new ATOM 0 HE ARG A 91 -8.276 16.716 -0.901 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -5.134 16.918 -2.522 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -5.827 17.534 -4.026 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -9.144 17.499 -2.835 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -8.084 17.861 -4.201 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.701 11.197 -0.435 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.756 10.260 0.160 1.00 0.32 C ATOM 1400 C TYR A 92 -3.575 10.050 -0.781 1.00 0.30 C ATOM 1401 O TYR A 92 -2.435 9.903 -0.341 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.445 8.920 0.452 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.542 7.881 1.086 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -4.299 7.885 2.456 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -3.928 6.900 0.316 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -3.473 6.944 3.039 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -3.100 5.954 0.893 1.00 0.48 C ATOM 1408 CZ TYR A 92 -2.889 5.965 2.246 1.00 0.55 C ATOM 1409 OH TYR A 92 -2.051 5.038 2.830 1.00 0.64 O ATOM 0 H TYR A 92 -6.579 10.774 -0.736 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.393 10.674 1.100 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -6.295 9.097 1.111 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.843 8.519 -0.480 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -4.765 8.638 3.075 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -4.100 6.876 -0.750 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -3.283 6.969 4.102 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -2.620 5.208 0.277 1.00 0.48 H new ATOM 0 HH TYR A 92 -2.056 4.213 2.301 1.00 0.64 H new ATOM 1419 N LEU A 93 -3.861 10.052 -2.080 1.00 0.31 N ATOM 1420 CA LEU A 93 -2.829 9.883 -3.097 1.00 0.34 C ATOM 1421 C LEU A 93 -1.838 11.035 -3.043 1.00 0.35 C ATOM 1422 O LEU A 93 -0.634 10.845 -3.216 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.453 9.807 -4.495 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.452 8.665 -4.712 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.077 8.766 -6.091 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -3.778 7.312 -4.535 1.00 0.44 C ATOM 0 H LEU A 93 -4.803 10.169 -2.454 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.305 8.949 -2.894 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -3.957 10.751 -4.700 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -2.651 9.708 -5.227 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.238 8.754 -3.962 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -5.784 7.948 -6.231 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -5.600 9.718 -6.185 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.297 8.704 -6.850 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.508 6.518 -4.694 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -2.969 7.211 -5.258 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.374 7.236 -3.526 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.353 12.230 -2.793 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.518 13.415 -2.671 1.00 0.39 C ATOM 1440 C ALA A 94 -0.680 13.372 -1.395 1.00 0.37 C ATOM 1441 O ALA A 94 0.321 14.080 -1.270 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.381 14.665 -2.692 1.00 0.43 C ATOM 0 H ALA A 94 -3.350 12.404 -2.670 1.00 0.36 H new ATOM 0 HA ALA A 94 -0.835 13.438 -3.520 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -1.747 15.547 -2.600 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -2.932 14.711 -3.631 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.084 14.636 -1.860 1.00 0.43 H new ATOM 1448 N ALA A 95 -1.088 12.535 -0.452 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.406 12.437 0.828 1.00 0.35 C ATOM 1450 C ALA A 95 0.530 11.232 0.872 1.00 0.33 C ATOM 1451 O ALA A 95 1.202 10.998 1.875 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.422 12.365 1.952 1.00 0.40 C ATOM 0 H ALA A 95 -1.890 11.913 -0.551 1.00 0.33 H new ATOM 0 HA ALA A 95 0.205 13.331 0.957 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.903 12.292 2.908 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -2.039 13.263 1.942 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -2.055 11.488 1.815 1.00 0.40 H new ATOM 1458 N LEU A 96 0.565 10.469 -0.218 1.00 0.35 N ATOM 1459 CA LEU A 96 1.459 9.312 -0.324 1.00 0.36 C ATOM 1460 C LEU A 96 2.924 9.679 -0.047 1.00 0.35 C ATOM 1461 O LEU A 96 3.576 9.002 0.744 1.00 0.34 O ATOM 1462 CB LEU A 96 1.334 8.638 -1.696 1.00 0.44 C ATOM 1463 CG LEU A 96 0.050 7.841 -1.923 1.00 0.49 C ATOM 1464 CD1 LEU A 96 -0.055 7.415 -3.378 1.00 0.56 C ATOM 1465 CD2 LEU A 96 0.004 6.620 -1.014 1.00 0.49 C ATOM 0 H LEU A 96 -0.014 10.629 -1.042 1.00 0.35 H new ATOM 0 HA LEU A 96 1.144 8.607 0.445 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.405 9.406 -2.466 1.00 0.44 H new ATOM 0 HB3 LEU A 96 2.184 7.970 -1.832 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.797 8.482 -1.681 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -0.974 6.848 -3.526 1.00 0.56 H new ATOM 0 HD12 LEU A 96 -0.067 8.299 -4.016 1.00 0.56 H new ATOM 0 HD13 LEU A 96 0.801 6.792 -3.637 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -0.919 6.068 -1.193 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.858 5.977 -1.225 1.00 0.49 H new ATOM 0 HD23 LEU A 96 0.039 6.940 0.027 1.00 0.49 H new ATOM 1477 N PRO A 97 3.475 10.744 -0.678 1.00 0.37 N ATOM 1478 CA PRO A 97 4.847 11.194 -0.402 1.00 0.39 C ATOM 1479 C PRO A 97 5.076 11.487 1.082 1.00 0.35 C ATOM 1480 O PRO A 97 6.177 11.301 1.603 1.00 0.36 O ATOM 1481 CB PRO A 97 4.991 12.481 -1.230 1.00 0.46 C ATOM 1482 CG PRO A 97 3.599 12.862 -1.610 1.00 0.46 C ATOM 1483 CD PRO A 97 2.843 11.574 -1.717 1.00 0.42 C ATOM 0 HA PRO A 97 5.578 10.428 -0.660 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.471 13.270 -0.651 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.608 12.314 -2.113 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.154 13.517 -0.861 1.00 0.46 H new ATOM 0 HG3 PRO A 97 3.585 13.404 -2.556 1.00 0.46 H new ATOM 0 HD2 PRO A 97 1.778 11.713 -1.533 1.00 0.42 H new ATOM 0 HD3 PRO A 97 2.940 11.128 -2.707 1.00 0.42 H new ATOM 1491 N ARG A 98 4.023 11.925 1.762 1.00 0.34 N ATOM 1492 CA ARG A 98 4.118 12.241 3.180 1.00 0.35 C ATOM 1493 C ARG A 98 4.104 10.959 4.004 1.00 0.31 C ATOM 1494 O ARG A 98 4.756 10.867 5.045 1.00 0.33 O ATOM 1495 CB ARG A 98 2.979 13.162 3.613 1.00 0.44 C ATOM 1496 CG ARG A 98 3.143 13.686 5.028 1.00 1.33 C ATOM 1497 CD ARG A 98 1.977 14.561 5.440 1.00 1.71 C ATOM 1498 NE ARG A 98 2.194 15.171 6.750 1.00 2.37 N ATOM 1499 CZ ARG A 98 1.298 15.924 7.383 1.00 3.24 C ATOM 1500 NH1 ARG A 98 0.093 16.120 6.857 1.00 3.56 N ATOM 1501 NH2 ARG A 98 1.608 16.467 8.553 1.00 4.22 N ATOM 0 H ARG A 98 3.098 12.069 1.356 1.00 0.34 H new ATOM 0 HA ARG A 98 5.059 12.763 3.352 1.00 0.35 H new ATOM 0 HB2 ARG A 98 2.919 14.005 2.924 1.00 0.44 H new ATOM 0 HB3 ARG A 98 2.035 12.622 3.539 1.00 0.44 H new ATOM 0 HG2 ARG A 98 3.231 12.847 5.719 1.00 1.33 H new ATOM 0 HG3 ARG A 98 4.069 14.256 5.100 1.00 1.33 H new ATOM 0 HD2 ARG A 98 1.828 15.343 4.695 1.00 1.71 H new ATOM 0 HD3 ARG A 98 1.065 13.964 5.463 1.00 1.71 H new ATOM 0 HE ARG A 98 3.090 15.009 7.209 1.00 2.37 H new ATOM 0 HH11 ARG A 98 -0.149 15.692 5.963 1.00 3.56 H new ATOM 0 HH12 ARG A 98 -0.589 16.698 7.347 1.00 3.56 H new ATOM 0 HH21 ARG A 98 2.528 16.306 8.962 1.00 4.22 H new ATOM 0 HH22 ARG A 98 0.926 17.045 9.044 1.00 4.22 H new ATOM 1515 N LYS A 99 3.372 9.964 3.517 1.00 0.31 N ATOM 1516 CA LYS A 99 3.314 8.665 4.168 1.00 0.36 C ATOM 1517 C LYS A 99 4.660 7.973 4.083 1.00 0.32 C ATOM 1518 O LYS A 99 5.142 7.418 5.068 1.00 0.32 O ATOM 1519 CB LYS A 99 2.232 7.795 3.532 1.00 0.47 C ATOM 1520 CG LYS A 99 0.848 8.016 4.117 1.00 0.86 C ATOM 1521 CD LYS A 99 0.754 7.470 5.534 1.00 1.14 C ATOM 1522 CE LYS A 99 -0.625 7.685 6.133 1.00 1.52 C ATOM 1523 NZ LYS A 99 -0.909 9.124 6.377 1.00 1.44 N ATOM 0 H LYS A 99 2.809 10.035 2.670 1.00 0.31 H new ATOM 0 HA LYS A 99 3.064 8.817 5.218 1.00 0.36 H new ATOM 0 HB2 LYS A 99 2.200 7.995 2.461 1.00 0.47 H new ATOM 0 HB3 LYS A 99 2.504 6.746 3.652 1.00 0.47 H new ATOM 0 HG2 LYS A 99 0.618 9.081 4.119 1.00 0.86 H new ATOM 0 HG3 LYS A 99 0.103 7.530 3.487 1.00 0.86 H new ATOM 0 HD2 LYS A 99 0.986 6.405 5.529 1.00 1.14 H new ATOM 0 HD3 LYS A 99 1.502 7.956 6.161 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -1.380 7.275 5.461 1.00 1.52 H new ATOM 0 HE3 LYS A 99 -0.702 7.136 7.072 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -1.807 9.218 6.893 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 -0.140 9.539 6.941 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -0.979 9.623 5.467 1.00 1.44 H new ATOM 1537 N LEU A 100 5.265 8.021 2.902 1.00 0.33 N ATOM 1538 CA LEU A 100 6.593 7.459 2.703 1.00 0.35 C ATOM 1539 C LEU A 100 7.578 8.077 3.681 1.00 0.34 C ATOM 1540 O LEU A 100 8.318 7.365 4.350 1.00 0.35 O ATOM 1541 CB LEU A 100 7.079 7.680 1.265 1.00 0.42 C ATOM 1542 CG LEU A 100 6.748 6.564 0.263 1.00 0.82 C ATOM 1543 CD1 LEU A 100 5.247 6.368 0.122 1.00 0.62 C ATOM 1544 CD2 LEU A 100 7.370 6.871 -1.089 1.00 1.58 C ATOM 0 H LEU A 100 4.856 8.444 2.069 1.00 0.33 H new ATOM 0 HA LEU A 100 6.532 6.386 2.883 1.00 0.35 H new ATOM 0 HB2 LEU A 100 6.649 8.611 0.896 1.00 0.42 H new ATOM 0 HB3 LEU A 100 8.161 7.814 1.285 1.00 0.42 H new ATOM 0 HG LEU A 100 7.169 5.635 0.647 1.00 0.82 H new ATOM 0 HD11 LEU A 100 5.050 5.571 -0.595 1.00 0.62 H new ATOM 0 HD12 LEU A 100 4.823 6.099 1.089 1.00 0.62 H new ATOM 0 HD13 LEU A 100 4.791 7.293 -0.230 1.00 0.62 H new ATOM 0 HD21 LEU A 100 7.128 6.073 -1.790 1.00 1.58 H new ATOM 0 HD22 LEU A 100 6.976 7.816 -1.465 1.00 1.58 H new ATOM 0 HD23 LEU A 100 8.452 6.945 -0.983 1.00 1.58 H new ATOM 1556 N ALA A 101 7.550 9.402 3.784 1.00 0.33 N ATOM 1557 CA ALA A 101 8.451 10.125 4.672 1.00 0.36 C ATOM 1558 C ALA A 101 8.290 9.657 6.114 1.00 0.33 C ATOM 1559 O ALA A 101 9.275 9.446 6.828 1.00 0.35 O ATOM 1560 CB ALA A 101 8.191 11.620 4.574 1.00 0.41 C ATOM 0 H ALA A 101 6.909 9.998 3.260 1.00 0.33 H new ATOM 0 HA ALA A 101 9.475 9.919 4.361 1.00 0.36 H new ATOM 0 HB1 ALA A 101 8.869 12.152 5.241 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.356 11.952 3.549 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.161 11.830 4.861 1.00 0.41 H new ATOM 1566 N ALA A 102 7.042 9.479 6.527 1.00 0.32 N ATOM 1567 CA ALA A 102 6.736 9.053 7.884 1.00 0.33 C ATOM 1568 C ALA A 102 7.249 7.641 8.143 1.00 0.32 C ATOM 1569 O ALA A 102 7.871 7.374 9.172 1.00 0.35 O ATOM 1570 CB ALA A 102 5.238 9.131 8.130 1.00 0.35 C ATOM 0 H ALA A 102 6.222 9.624 5.937 1.00 0.32 H new ATOM 0 HA ALA A 102 7.242 9.725 8.577 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.019 8.810 9.148 1.00 0.35 H new ATOM 0 HB2 ALA A 102 4.900 10.158 7.993 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.719 8.481 7.425 1.00 0.35 H new ATOM 1576 N TRP A 103 7.005 6.743 7.196 1.00 0.30 N ATOM 1577 CA TRP A 103 7.406 5.350 7.344 1.00 0.32 C ATOM 1578 C TRP A 103 8.922 5.214 7.359 1.00 0.32 C ATOM 1579 O TRP A 103 9.463 4.326 8.021 1.00 0.34 O ATOM 1580 CB TRP A 103 6.808 4.483 6.228 1.00 0.33 C ATOM 1581 CG TRP A 103 5.311 4.403 6.275 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.516 4.451 7.387 1.00 0.36 C ATOM 1583 CD2 TRP A 103 4.428 4.243 5.160 1.00 0.35 C ATOM 1584 NE1 TRP A 103 3.195 4.350 7.028 1.00 0.40 N ATOM 1585 CE2 TRP A 103 3.115 4.218 5.666 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.619 4.124 3.781 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 2.003 4.081 4.842 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 3.513 3.987 2.965 1.00 0.41 C ATOM 1589 CH2 TRP A 103 2.220 3.966 3.498 1.00 0.44 C ATOM 0 H TRP A 103 6.531 6.955 6.318 1.00 0.30 H new ATOM 0 HA TRP A 103 7.019 4.998 8.300 1.00 0.32 H new ATOM 0 HB2 TRP A 103 7.113 4.886 5.262 1.00 0.33 H new ATOM 0 HB3 TRP A 103 7.221 3.477 6.299 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.875 4.553 8.400 1.00 0.36 H new ATOM 0 HE1 TRP A 103 2.402 4.370 7.670 1.00 0.40 H new ATOM 0 HE3 TRP A 103 5.614 4.139 3.361 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 1.003 4.066 5.250 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 3.649 3.895 1.898 1.00 0.41 H new ATOM 0 HH2 TRP A 103 1.376 3.857 2.833 1.00 0.44 H new ATOM 1600 N GLU A 104 9.608 6.099 6.644 1.00 0.34 N ATOM 1601 CA GLU A 104 11.064 6.086 6.626 1.00 0.38 C ATOM 1602 C GLU A 104 11.611 6.370 8.017 1.00 0.39 C ATOM 1603 O GLU A 104 12.416 5.604 8.552 1.00 0.41 O ATOM 1604 CB GLU A 104 11.616 7.119 5.634 1.00 0.42 C ATOM 1605 CG GLU A 104 11.196 6.875 4.193 1.00 0.45 C ATOM 1606 CD GLU A 104 11.938 7.753 3.207 1.00 0.51 C ATOM 1607 OE1 GLU A 104 11.557 8.930 3.043 1.00 0.62 O ATOM 1608 OE2 GLU A 104 12.912 7.270 2.590 1.00 0.52 O ATOM 0 H GLU A 104 9.182 6.829 6.073 1.00 0.34 H new ATOM 0 HA GLU A 104 11.384 5.095 6.306 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.283 8.112 5.936 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.705 7.117 5.690 1.00 0.42 H new ATOM 0 HG2 GLU A 104 11.369 5.829 3.942 1.00 0.45 H new ATOM 0 HG3 GLU A 104 10.125 7.054 4.097 1.00 0.45 H new ATOM 1615 N ASN A 105 11.135 7.458 8.605 1.00 0.41 N ATOM 1616 CA ASN A 105 11.589 7.883 9.920 1.00 0.47 C ATOM 1617 C ASN A 105 11.148 6.910 11.014 1.00 0.46 C ATOM 1618 O ASN A 105 11.926 6.572 11.908 1.00 0.50 O ATOM 1619 CB ASN A 105 11.056 9.286 10.230 1.00 0.53 C ATOM 1620 CG ASN A 105 11.555 9.830 11.559 1.00 1.24 C ATOM 1621 OD1 ASN A 105 10.839 10.556 12.249 1.00 2.01 O ATOM 1622 ND2 ASN A 105 12.789 9.506 11.921 1.00 1.70 N ATOM 0 H ASN A 105 10.430 8.066 8.188 1.00 0.41 H new ATOM 0 HA ASN A 105 12.679 7.898 9.904 1.00 0.47 H new ATOM 0 HB2 ASN A 105 11.352 9.966 9.431 1.00 0.53 H new ATOM 0 HB3 ASN A 105 9.966 9.261 10.240 1.00 0.53 H new ATOM 0 HD21 ASN A 105 13.173 9.861 12.797 1.00 1.70 H new ATOM 0 HD22 ASN A 105 13.354 8.902 11.324 1.00 1.70 H new ATOM 1629 N ALA A 106 9.911 6.448 10.929 1.00 0.45 N ATOM 1630 CA ALA A 106 9.325 5.658 12.001 1.00 0.48 C ATOM 1631 C ALA A 106 9.707 4.180 11.927 1.00 0.50 C ATOM 1632 O ALA A 106 10.040 3.573 12.944 1.00 0.66 O ATOM 1633 CB ALA A 106 7.812 5.810 11.995 1.00 0.52 C ATOM 0 H ALA A 106 9.295 6.605 10.132 1.00 0.45 H new ATOM 0 HA ALA A 106 9.731 6.042 12.937 1.00 0.48 H new ATOM 0 HB1 ALA A 106 7.383 5.215 12.801 1.00 0.52 H new ATOM 0 HB2 ALA A 106 7.551 6.858 12.140 1.00 0.52 H new ATOM 0 HB3 ALA A 106 7.416 5.466 11.040 1.00 0.52 H new ATOM 1639 N ARG A 107 9.671 3.600 10.735 1.00 0.43 N ATOM 1640 CA ARG A 107 9.797 2.149 10.611 1.00 0.47 C ATOM 1641 C ARG A 107 11.193 1.701 10.188 1.00 0.48 C ATOM 1642 O ARG A 107 11.456 0.500 10.102 1.00 0.56 O ATOM 1643 CB ARG A 107 8.758 1.598 9.629 1.00 0.51 C ATOM 1644 CG ARG A 107 7.312 1.848 10.047 1.00 0.59 C ATOM 1645 CD ARG A 107 7.021 1.321 11.451 1.00 0.72 C ATOM 1646 NE ARG A 107 7.432 -0.074 11.614 1.00 0.81 N ATOM 1647 CZ ARG A 107 6.981 -0.880 12.572 1.00 1.10 C ATOM 1648 NH1 ARG A 107 6.061 -0.459 13.432 1.00 1.35 N ATOM 1649 NH2 ARG A 107 7.453 -2.113 12.668 1.00 1.26 N ATOM 0 H ARG A 107 9.558 4.099 9.853 1.00 0.43 H new ATOM 0 HA ARG A 107 9.617 1.743 11.607 1.00 0.47 H new ATOM 0 HB2 ARG A 107 8.925 2.047 8.650 1.00 0.51 H new ATOM 0 HB3 ARG A 107 8.912 0.525 9.518 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.104 2.917 10.011 1.00 0.59 H new ATOM 0 HG3 ARG A 107 6.641 1.369 9.334 1.00 0.59 H new ATOM 0 HD2 ARG A 107 7.540 1.939 12.184 1.00 0.72 H new ATOM 0 HD3 ARG A 107 5.954 1.410 11.657 1.00 0.72 H new ATOM 0 HE ARG A 107 8.108 -0.453 10.951 1.00 0.81 H new ATOM 0 HH11 ARG A 107 5.694 0.490 13.362 1.00 1.35 H new ATOM 0 HH12 ARG A 107 5.722 -1.085 14.163 1.00 1.35 H new ATOM 0 HH21 ARG A 107 8.159 -2.441 12.009 1.00 1.26 H new ATOM 0 HH22 ARG A 107 7.110 -2.735 13.401 1.00 1.26 H new ATOM 1663 N GLY A 108 12.084 2.652 9.934 1.00 0.45 N ATOM 1664 CA GLY A 108 13.435 2.298 9.527 1.00 0.49 C ATOM 1665 C GLY A 108 13.479 1.784 8.102 1.00 0.46 C ATOM 1666 O GLY A 108 14.122 0.772 7.809 1.00 0.50 O ATOM 0 H GLY A 108 11.900 3.653 10.001 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.082 3.170 9.619 1.00 0.49 H new ATOM 0 HA3 GLY A 108 13.829 1.537 10.200 1.00 0.49 H new ATOM 1670 N VAL A 109 12.805 2.500 7.220 1.00 0.42 N ATOM 1671 CA VAL A 109 12.693 2.111 5.822 1.00 0.41 C ATOM 1672 C VAL A 109 13.245 3.230 4.951 1.00 0.43 C ATOM 1673 O VAL A 109 13.007 4.399 5.230 1.00 0.46 O ATOM 1674 CB VAL A 109 11.217 1.823 5.437 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.079 1.511 3.953 1.00 0.42 C ATOM 1676 CG2 VAL A 109 10.653 0.677 6.267 1.00 0.43 C ATOM 0 H VAL A 109 12.320 3.367 7.450 1.00 0.42 H new ATOM 0 HA VAL A 109 13.265 1.197 5.665 1.00 0.41 H new ATOM 0 HB VAL A 109 10.644 2.726 5.649 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.033 1.314 3.718 1.00 0.42 H new ATOM 0 HG12 VAL A 109 11.428 2.362 3.368 1.00 0.42 H new ATOM 0 HG13 VAL A 109 11.677 0.633 3.709 1.00 0.42 H new ATOM 0 HG21 VAL A 109 9.618 0.494 5.979 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.243 -0.223 6.093 1.00 0.43 H new ATOM 0 HG23 VAL A 109 10.695 0.939 7.324 1.00 0.43 H new ATOM 1686 N ASP A 110 14.000 2.891 3.920 1.00 0.44 N ATOM 1687 CA ASP A 110 14.557 3.914 3.045 1.00 0.49 C ATOM 1688 C ASP A 110 14.170 3.644 1.600 1.00 0.54 C ATOM 1689 O ASP A 110 14.652 2.692 0.982 1.00 0.57 O ATOM 1690 CB ASP A 110 16.080 3.992 3.178 1.00 0.53 C ATOM 1691 CG ASP A 110 16.663 5.120 2.351 1.00 0.62 C ATOM 1692 OD1 ASP A 110 16.580 6.287 2.785 1.00 0.84 O ATOM 1693 OD2 ASP A 110 17.197 4.849 1.258 1.00 0.79 O ATOM 0 H ASP A 110 14.240 1.932 3.669 1.00 0.44 H new ATOM 0 HA ASP A 110 14.142 4.875 3.350 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.346 4.135 4.225 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.521 3.046 2.863 1.00 0.53 H new ATOM 1698 N PHE A 111 13.297 4.485 1.064 1.00 0.60 N ATOM 1699 CA PHE A 111 12.804 4.310 -0.297 1.00 0.68 C ATOM 1700 C PHE A 111 13.833 4.772 -1.322 1.00 0.77 C ATOM 1701 O PHE A 111 13.686 4.520 -2.519 1.00 0.90 O ATOM 1702 CB PHE A 111 11.486 5.062 -0.492 1.00 0.73 C ATOM 1703 CG PHE A 111 10.331 4.461 0.263 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.072 4.835 1.570 1.00 0.62 C ATOM 1705 CD2 PHE A 111 9.505 3.524 -0.337 1.00 0.72 C ATOM 1706 CE1 PHE A 111 9.012 4.289 2.267 1.00 0.61 C ATOM 1707 CE2 PHE A 111 8.442 2.973 0.355 1.00 0.71 C ATOM 1708 CZ PHE A 111 8.199 3.347 1.657 1.00 0.62 C ATOM 0 H PHE A 111 12.915 5.296 1.550 1.00 0.60 H new ATOM 0 HA PHE A 111 12.627 3.246 -0.452 1.00 0.68 H new ATOM 0 HB2 PHE A 111 11.617 6.097 -0.175 1.00 0.73 H new ATOM 0 HB3 PHE A 111 11.243 5.083 -1.554 1.00 0.73 H new ATOM 0 HD1 PHE A 111 10.707 5.564 2.051 1.00 0.62 H new ATOM 0 HD2 PHE A 111 9.693 3.221 -1.356 1.00 0.72 H new ATOM 0 HE1 PHE A 111 8.817 4.595 3.284 1.00 0.61 H new ATOM 0 HE2 PHE A 111 7.802 2.249 -0.127 1.00 0.71 H new ATOM 0 HZ PHE A 111 7.377 2.907 2.202 1.00 0.62 H new ATOM 1718 N GLY A 112 14.876 5.440 -0.851 1.00 0.76 N ATOM 1719 CA GLY A 112 15.921 5.897 -1.739 1.00 0.84 C ATOM 1720 C GLY A 112 16.761 4.753 -2.261 1.00 0.79 C ATOM 1721 O GLY A 112 16.873 4.557 -3.470 1.00 0.89 O ATOM 0 H GLY A 112 15.016 5.673 0.132 1.00 0.76 H new ATOM 0 HA2 GLY A 112 15.476 6.432 -2.578 1.00 0.84 H new ATOM 0 HA3 GLY A 112 16.560 6.605 -1.212 1.00 0.84 H new ATOM 1725 N SER A 113 17.338 3.985 -1.353 1.00 0.71 N ATOM 1726 CA SER A 113 18.196 2.876 -1.733 1.00 0.70 C ATOM 1727 C SER A 113 17.408 1.565 -1.771 1.00 0.68 C ATOM 1728 O SER A 113 17.925 0.530 -2.190 1.00 0.72 O ATOM 1729 CB SER A 113 19.373 2.764 -0.760 1.00 0.71 C ATOM 1730 OG SER A 113 20.369 1.890 -1.261 1.00 1.38 O ATOM 0 H SER A 113 17.228 4.109 -0.347 1.00 0.71 H new ATOM 0 HA SER A 113 18.583 3.067 -2.734 1.00 0.70 H new ATOM 0 HB2 SER A 113 19.803 3.751 -0.590 1.00 0.71 H new ATOM 0 HB3 SER A 113 19.018 2.401 0.204 1.00 0.71 H new ATOM 0 HG SER A 113 19.943 1.145 -1.734 1.00 1.38 H new ATOM 1736 N ARG A 114 16.145 1.631 -1.331 1.00 0.68 N ATOM 1737 CA ARG A 114 15.249 0.471 -1.330 1.00 0.75 C ATOM 1738 C ARG A 114 15.732 -0.595 -0.354 1.00 0.68 C ATOM 1739 O ARG A 114 15.571 -1.794 -0.583 1.00 0.72 O ATOM 1740 CB ARG A 114 15.109 -0.103 -2.742 1.00 0.91 C ATOM 1741 CG ARG A 114 14.338 0.805 -3.686 1.00 1.10 C ATOM 1742 CD ARG A 114 14.633 0.471 -5.136 1.00 1.31 C ATOM 1743 NE ARG A 114 16.016 0.788 -5.494 1.00 1.48 N ATOM 1744 CZ ARG A 114 16.671 0.237 -6.514 1.00 1.92 C ATOM 1745 NH1 ARG A 114 16.074 -0.661 -7.290 1.00 2.13 N ATOM 1746 NH2 ARG A 114 17.923 0.594 -6.763 1.00 2.70 N ATOM 0 H ARG A 114 15.719 2.484 -0.968 1.00 0.68 H new ATOM 0 HA ARG A 114 14.266 0.804 -0.998 1.00 0.75 H new ATOM 0 HB2 ARG A 114 16.102 -0.284 -3.153 1.00 0.91 H new ATOM 0 HB3 ARG A 114 14.606 -1.069 -2.686 1.00 0.91 H new ATOM 0 HG2 ARG A 114 13.269 0.705 -3.498 1.00 1.10 H new ATOM 0 HG3 ARG A 114 14.600 1.844 -3.489 1.00 1.10 H new ATOM 0 HD2 ARG A 114 14.446 -0.588 -5.311 1.00 1.31 H new ATOM 0 HD3 ARG A 114 13.953 1.026 -5.783 1.00 1.31 H new ATOM 0 HE ARG A 114 16.510 1.476 -4.925 1.00 1.48 H new ATOM 0 HH11 ARG A 114 15.108 -0.932 -7.106 1.00 2.13 H new ATOM 0 HH12 ARG A 114 16.582 -1.079 -8.070 1.00 2.13 H new ATOM 0 HH21 ARG A 114 18.382 1.289 -6.174 1.00 2.70 H new ATOM 0 HH22 ARG A 114 18.428 0.174 -7.544 1.00 2.70 H new ATOM 1760 N THR A 115 16.312 -0.139 0.741 1.00 0.60 N ATOM 1761 CA THR A 115 16.779 -1.020 1.794 1.00 0.57 C ATOM 1762 C THR A 115 16.078 -0.677 3.105 1.00 0.52 C ATOM 1763 O THR A 115 15.542 0.425 3.255 1.00 0.53 O ATOM 1764 CB THR A 115 18.306 -0.909 1.966 1.00 0.63 C ATOM 1765 OG1 THR A 115 18.715 0.465 1.873 1.00 0.80 O ATOM 1766 CG2 THR A 115 19.035 -1.730 0.911 1.00 0.78 C ATOM 0 H THR A 115 16.472 0.851 0.925 1.00 0.60 H new ATOM 0 HA THR A 115 16.541 -2.047 1.516 1.00 0.57 H new ATOM 0 HB THR A 115 18.564 -1.300 2.950 1.00 0.63 H new ATOM 0 HG1 THR A 115 19.687 0.525 1.985 1.00 0.80 H new ATOM 0 HG21 THR A 115 20.111 -1.634 1.055 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.748 -2.778 1.003 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.768 -1.367 -0.081 1.00 0.78 H new ATOM 1774 N GLN A 116 16.064 -1.611 4.047 1.00 0.50 N ATOM 1775 CA GLN A 116 15.383 -1.382 5.311 1.00 0.51 C ATOM 1776 C GLN A 116 16.153 -2.023 6.460 1.00 0.54 C ATOM 1777 O GLN A 116 16.866 -3.009 6.270 1.00 0.55 O ATOM 1778 CB GLN A 116 13.948 -1.927 5.247 1.00 0.50 C ATOM 1779 CG GLN A 116 13.860 -3.439 5.105 1.00 0.45 C ATOM 1780 CD GLN A 116 12.438 -3.925 4.894 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.617 -3.240 4.286 1.00 1.21 O ATOM 1782 NE2 GLN A 116 12.131 -5.108 5.405 1.00 1.00 N ATOM 0 H GLN A 116 16.511 -2.524 3.961 1.00 0.50 H new ATOM 0 HA GLN A 116 15.338 -0.308 5.492 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.417 -1.627 6.150 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.433 -1.464 4.405 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.477 -3.758 4.265 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.271 -3.908 5.999 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.839 -5.648 5.903 1.00 1.00 H new ATOM 0 HE22 GLN A 116 11.187 -5.479 5.300 1.00 1.00 H new ATOM 1791 N ALA A 117 16.010 -1.452 7.649 1.00 0.62 N ATOM 1792 CA ALA A 117 16.722 -1.939 8.823 1.00 0.68 C ATOM 1793 C ALA A 117 15.911 -3.001 9.552 1.00 0.68 C ATOM 1794 O ALA A 117 16.303 -3.474 10.620 1.00 0.84 O ATOM 1795 CB ALA A 117 17.042 -0.786 9.762 1.00 0.83 C ATOM 0 H ALA A 117 15.406 -0.649 7.826 1.00 0.62 H new ATOM 0 HA ALA A 117 17.655 -2.393 8.489 1.00 0.68 H new ATOM 0 HB1 ALA A 117 17.574 -1.164 10.635 1.00 0.83 H new ATOM 0 HB2 ALA A 117 17.666 -0.058 9.244 1.00 0.83 H new ATOM 0 HB3 ALA A 117 16.115 -0.308 10.081 1.00 0.83 H new ATOM 1801 N ASP A 118 14.785 -3.378 8.969 1.00 0.69 N ATOM 1802 CA ASP A 118 13.906 -4.367 9.576 1.00 0.73 C ATOM 1803 C ASP A 118 13.891 -5.635 8.731 1.00 0.67 C ATOM 1804 O ASP A 118 14.101 -5.590 7.518 1.00 0.67 O ATOM 1805 CB ASP A 118 12.486 -3.809 9.702 1.00 0.81 C ATOM 1806 CG ASP A 118 11.658 -4.545 10.741 1.00 0.81 C ATOM 1807 OD1 ASP A 118 11.406 -5.752 10.567 1.00 1.07 O ATOM 1808 OD2 ASP A 118 11.245 -3.911 11.737 1.00 1.04 O ATOM 0 H ASP A 118 14.457 -3.014 8.074 1.00 0.69 H new ATOM 0 HA ASP A 118 14.280 -4.604 10.572 1.00 0.73 H new ATOM 0 HB2 ASP A 118 12.537 -2.753 9.966 1.00 0.81 H new ATOM 0 HB3 ASP A 118 11.988 -3.872 8.735 1.00 0.81 H new ATOM 1813 N ALA A 119 13.648 -6.760 9.383 1.00 0.72 N ATOM 1814 CA ALA A 119 13.619 -8.050 8.715 1.00 0.73 C ATOM 1815 C ALA A 119 12.301 -8.253 7.979 1.00 0.66 C ATOM 1816 O ALA A 119 12.227 -9.034 7.030 1.00 0.73 O ATOM 1817 CB ALA A 119 13.837 -9.166 9.724 1.00 0.91 C ATOM 0 H ALA A 119 13.466 -6.805 10.386 1.00 0.72 H new ATOM 0 HA ALA A 119 14.424 -8.073 7.981 1.00 0.73 H new ATOM 0 HB1 ALA A 119 13.813 -10.128 9.213 1.00 0.91 H new ATOM 0 HB2 ALA A 119 14.805 -9.036 10.207 1.00 0.91 H new ATOM 0 HB3 ALA A 119 13.049 -9.135 10.476 1.00 0.91 H new ATOM 1823 N LEU A 120 11.269 -7.540 8.413 1.00 0.69 N ATOM 1824 CA LEU A 120 9.949 -7.645 7.808 1.00 0.63 C ATOM 1825 C LEU A 120 9.056 -6.525 8.330 1.00 0.57 C ATOM 1826 O LEU A 120 8.862 -6.401 9.537 1.00 0.65 O ATOM 1827 CB LEU A 120 9.328 -9.004 8.148 1.00 0.73 C ATOM 1828 CG LEU A 120 7.995 -9.314 7.467 1.00 0.69 C ATOM 1829 CD1 LEU A 120 8.182 -9.488 5.970 1.00 0.89 C ATOM 1830 CD2 LEU A 120 7.368 -10.554 8.078 1.00 1.00 C ATOM 0 H LEU A 120 11.323 -6.878 9.187 1.00 0.69 H new ATOM 0 HA LEU A 120 10.042 -7.556 6.726 1.00 0.63 H new ATOM 0 HB2 LEU A 120 10.041 -9.785 7.882 1.00 0.73 H new ATOM 0 HB3 LEU A 120 9.184 -9.057 9.227 1.00 0.73 H new ATOM 0 HG LEU A 120 7.322 -8.471 7.626 1.00 0.69 H new ATOM 0 HD11 LEU A 120 7.220 -9.708 5.506 1.00 0.89 H new ATOM 0 HD12 LEU A 120 8.588 -8.570 5.545 1.00 0.89 H new ATOM 0 HD13 LEU A 120 8.872 -10.311 5.783 1.00 0.89 H new ATOM 0 HD21 LEU A 120 6.419 -10.763 7.584 1.00 1.00 H new ATOM 0 HD22 LEU A 120 8.040 -11.403 7.949 1.00 1.00 H new ATOM 0 HD23 LEU A 120 7.194 -10.388 9.141 1.00 1.00 H new ATOM 1842 N VAL A 121 8.494 -5.726 7.438 1.00 0.50 N ATOM 1843 CA VAL A 121 7.632 -4.638 7.866 1.00 0.47 C ATOM 1844 C VAL A 121 6.235 -4.760 7.253 1.00 0.39 C ATOM 1845 O VAL A 121 5.997 -4.418 6.095 1.00 0.33 O ATOM 1846 CB VAL A 121 8.275 -3.253 7.576 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.658 -3.098 6.112 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.358 -2.124 8.019 1.00 0.50 C ATOM 0 H VAL A 121 8.616 -5.808 6.429 1.00 0.50 H new ATOM 0 HA VAL A 121 7.516 -4.714 8.947 1.00 0.47 H new ATOM 0 HB VAL A 121 9.195 -3.197 8.158 1.00 0.49 H new ATOM 0 HG11 VAL A 121 9.104 -2.116 5.954 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.377 -3.871 5.840 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.768 -3.196 5.491 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.831 -1.166 7.805 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.413 -2.190 7.480 1.00 0.50 H new ATOM 0 HG23 VAL A 121 7.172 -2.206 9.090 1.00 0.50 H new ATOM 1858 N LEU A 122 5.321 -5.299 8.046 1.00 0.41 N ATOM 1859 CA LEU A 122 3.934 -5.454 7.642 1.00 0.39 C ATOM 1860 C LEU A 122 3.071 -4.490 8.444 1.00 0.42 C ATOM 1861 O LEU A 122 2.811 -4.718 9.627 1.00 0.73 O ATOM 1862 CB LEU A 122 3.461 -6.893 7.889 1.00 0.50 C ATOM 1863 CG LEU A 122 4.409 -8.006 7.415 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.816 -9.375 7.715 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.710 -7.875 5.931 1.00 0.46 C ATOM 0 H LEU A 122 5.521 -5.640 8.986 1.00 0.41 H new ATOM 0 HA LEU A 122 3.846 -5.236 6.578 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.290 -7.020 8.958 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.499 -7.028 7.395 1.00 0.50 H new ATOM 0 HG LEU A 122 5.347 -7.902 7.961 1.00 0.51 H new ATOM 0 HD11 LEU A 122 4.501 -10.151 7.373 1.00 0.66 H new ATOM 0 HD12 LEU A 122 3.660 -9.477 8.789 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.862 -9.479 7.199 1.00 0.66 H new ATOM 0 HD21 LEU A 122 5.383 -8.676 5.624 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.782 -7.944 5.364 1.00 0.46 H new ATOM 0 HD23 LEU A 122 5.182 -6.911 5.739 1.00 0.46 H new ATOM 1877 N LEU A 123 2.627 -3.418 7.810 1.00 0.24 N ATOM 1878 CA LEU A 123 1.917 -2.365 8.520 1.00 0.24 C ATOM 1879 C LEU A 123 0.407 -2.559 8.451 1.00 0.24 C ATOM 1880 O LEU A 123 -0.183 -2.622 7.368 1.00 0.25 O ATOM 1881 CB LEU A 123 2.294 -0.990 7.964 1.00 0.26 C ATOM 1882 CG LEU A 123 3.784 -0.652 7.997 1.00 0.29 C ATOM 1883 CD1 LEU A 123 4.026 0.739 7.431 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.333 -0.745 9.412 1.00 0.37 C ATOM 0 H LEU A 123 2.744 -3.253 6.810 1.00 0.24 H new ATOM 0 HA LEU A 123 2.216 -2.420 9.567 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.948 -0.928 6.932 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.754 -0.229 8.528 1.00 0.26 H new ATOM 0 HG LEU A 123 4.308 -1.380 7.378 1.00 0.29 H new ATOM 0 HD11 LEU A 123 5.092 0.964 7.462 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.677 0.778 6.399 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.483 1.473 8.026 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.395 -0.500 9.407 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.802 -0.044 10.055 1.00 0.37 H new ATOM 0 HD23 LEU A 123 4.196 -1.758 9.789 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.205 -2.669 9.620 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.644 -2.761 9.709 1.00 0.28 C ATOM 1898 C GLY A 124 -2.232 -1.598 10.472 1.00 0.30 C ATOM 1899 O GLY A 124 -1.508 -0.883 11.165 1.00 0.34 O ATOM 0 H GLY A 124 0.278 -2.696 10.518 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.069 -2.791 8.706 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -1.919 -3.695 10.200 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.537 -1.403 10.348 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.196 -0.334 11.073 1.00 0.36 C ATOM 1905 C GLY A 125 -4.018 1.025 10.425 1.00 0.35 C ATOM 1906 O GLY A 125 -4.114 2.054 11.094 1.00 0.40 O ATOM 0 H GLY A 125 -4.152 -1.965 9.759 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.260 -0.557 11.148 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -3.805 -0.299 12.090 1.00 0.36 H new ATOM 1910 N LEU A 126 -3.738 1.035 9.127 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.626 2.286 8.387 1.00 0.31 C ATOM 1912 C LEU A 126 -5.010 2.837 8.070 1.00 0.33 C ATOM 1913 O LEU A 126 -5.969 2.078 7.906 1.00 0.35 O ATOM 1914 CB LEU A 126 -2.826 2.103 7.093 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.300 2.126 7.232 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -0.802 0.959 8.065 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.650 2.113 5.858 1.00 0.39 C ATOM 0 H LEU A 126 -3.585 0.196 8.568 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.091 2.997 9.016 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.115 1.153 6.643 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.118 2.888 6.396 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.022 3.045 7.749 1.00 0.34 H new ATOM 0 HD11 LEU A 126 0.284 1.005 8.144 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.241 1.010 9.062 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.091 0.022 7.589 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.434 2.130 5.968 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -0.947 1.210 5.324 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -0.971 2.990 5.295 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.108 4.155 7.976 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.390 4.809 7.746 1.00 0.41 C ATOM 1931 C ASP A 127 -6.346 5.674 6.491 1.00 0.39 C ATOM 1932 O ASP A 127 -5.271 6.060 6.024 1.00 0.45 O ATOM 1933 CB ASP A 127 -6.789 5.679 8.946 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.051 4.880 10.208 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.164 4.325 10.353 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -6.155 4.824 11.074 1.00 1.11 O ATOM 0 H ASP A 127 -4.316 4.793 8.055 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.134 4.023 7.612 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -5.997 6.402 9.140 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.684 6.247 8.692 1.00 0.53 H new ATOM 1941 N PHE A 128 -7.521 6.001 5.969 1.00 0.39 N ATOM 1942 CA PHE A 128 -7.642 6.834 4.782 1.00 0.42 C ATOM 1943 C PHE A 128 -8.184 8.204 5.158 1.00 0.49 C ATOM 1944 O PHE A 128 -8.978 8.795 4.425 1.00 0.61 O ATOM 1945 CB PHE A 128 -8.567 6.189 3.742 1.00 0.48 C ATOM 1946 CG PHE A 128 -7.907 5.147 2.880 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -7.113 5.522 1.807 1.00 0.49 C ATOM 1948 CD2 PHE A 128 -8.092 3.796 3.129 1.00 0.55 C ATOM 1949 CE1 PHE A 128 -6.517 4.570 1.000 1.00 0.55 C ATOM 1950 CE2 PHE A 128 -7.498 2.842 2.326 1.00 0.61 C ATOM 1951 CZ PHE A 128 -6.710 3.229 1.260 1.00 0.58 C ATOM 0 H PHE A 128 -8.414 5.697 6.356 1.00 0.39 H new ATOM 0 HA PHE A 128 -6.649 6.938 4.346 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -9.411 5.733 4.259 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -8.971 6.971 3.099 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -6.958 6.570 1.599 1.00 0.49 H new ATOM 0 HD2 PHE A 128 -8.708 3.486 3.960 1.00 0.55 H new ATOM 0 HE1 PHE A 128 -5.901 4.876 0.167 1.00 0.55 H new ATOM 0 HE2 PHE A 128 -7.650 1.793 2.532 1.00 0.61 H new ATOM 0 HZ PHE A 128 -6.246 2.484 0.631 1.00 0.58 H new ATOM 1961 N GLU A 129 -7.771 8.690 6.317 1.00 0.52 N ATOM 1962 CA GLU A 129 -8.171 10.008 6.770 1.00 0.63 C ATOM 1963 C GLU A 129 -7.383 11.068 6.020 1.00 0.64 C ATOM 1964 O GLU A 129 -6.152 11.086 6.068 1.00 0.80 O ATOM 1965 CB GLU A 129 -7.950 10.157 8.277 1.00 0.83 C ATOM 1966 CG GLU A 129 -8.748 9.170 9.113 1.00 1.58 C ATOM 1967 CD GLU A 129 -8.540 9.367 10.599 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -7.444 9.041 11.100 1.00 2.54 O ATOM 1969 OE2 GLU A 129 -9.476 9.841 11.279 1.00 3.00 O ATOM 0 H GLU A 129 -7.158 8.189 6.961 1.00 0.52 H new ATOM 0 HA GLU A 129 -9.234 10.137 6.568 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -6.890 10.029 8.494 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -8.216 11.171 8.576 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -9.808 9.276 8.881 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -8.462 8.154 8.841 1.00 1.58 H new ATOM 1976 N ALA A 130 -8.087 11.927 5.308 1.00 0.73 N ATOM 1977 CA ALA A 130 -7.449 12.980 4.543 1.00 0.92 C ATOM 1978 C ALA A 130 -8.302 14.235 4.579 1.00 1.47 C ATOM 1979 O ALA A 130 -9.044 14.486 3.609 1.00 1.77 O ATOM 1980 CB ALA A 130 -7.210 12.524 3.111 1.00 0.97 C ATOM 1981 OXT ALA A 130 -8.261 14.945 5.602 1.00 2.26 O ATOM 0 H ALA A 130 -9.105 11.916 5.244 1.00 0.73 H new ATOM 0 HA ALA A 130 -6.481 13.208 4.989 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -6.730 13.326 2.549 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -6.565 11.645 3.112 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -8.163 12.274 2.645 1.00 0.97 H new