USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 TYR OH : rot -106:sc= 1.57 USER MOD Set 1.2: A 45 ASN : amide:sc= -0.451 K(o=1.1,f=-2!) USER MOD Set 2.1: A 25 THR OG1 : rot 127:sc= 0.0434 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.402 K(o=0.45,f=-5.6!) USER MOD Single : A 4 TYR OH : rot 63:sc= 1.24 USER MOD Single : A 8 THR OG1 : rot -117:sc= -1.64! USER MOD Single : A 12 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.45) USER MOD Single : A 20 SER OG : rot 180:sc= -2.28! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -55:sc= 1.23 USER MOD Single : A 34 GLN : amide:sc= -2.68! K(o=-2.7!,f=-0.17) USER MOD Single : A 39 SER OG : rot -27:sc= 0.101 USER MOD Single : A 49 GLN : amide:sc= -2.66! K(o=-2.7!,f=-0.7) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 1.29 K(o=1.3,f=-6.9!) USER MOD Single : A 73 TYR OH : rot 166:sc= 0.267! USER MOD Single : A 76 ASN : amide:sc= -3.72! C(o=-3.7!,f=-16!) USER MOD Single : A 77 TYR OH : rot 27:sc= 0.872 USER MOD ----------------------------------------------------------------- ATOM 46 N TYR A 4 4.310 -7.744 -6.249 1.00 0.73 N ATOM 47 CA TYR A 4 3.869 -6.406 -6.547 1.00 0.56 C ATOM 48 C TYR A 4 2.640 -6.134 -5.690 1.00 0.48 C ATOM 49 O TYR A 4 2.008 -7.075 -5.226 1.00 0.54 O ATOM 50 CB TYR A 4 3.541 -6.278 -8.041 1.00 0.66 C ATOM 51 CG TYR A 4 2.272 -6.992 -8.434 1.00 0.57 C ATOM 52 CD1 TYR A 4 1.052 -6.406 -8.175 1.00 0.51 C ATOM 53 CD2 TYR A 4 2.288 -8.243 -9.037 1.00 0.78 C ATOM 54 CE1 TYR A 4 -0.123 -7.028 -8.488 1.00 0.60 C ATOM 55 CE2 TYR A 4 1.106 -8.882 -9.368 1.00 1.00 C ATOM 56 CZ TYR A 4 -0.099 -8.269 -9.089 1.00 0.90 C ATOM 57 OH TYR A 4 -1.279 -8.910 -9.397 1.00 1.17 O ATOM 0 HA TYR A 4 4.649 -5.678 -6.325 1.00 0.56 H new ATOM 0 HB2 TYR A 4 3.451 -5.222 -8.297 1.00 0.66 H new ATOM 0 HB3 TYR A 4 4.371 -6.678 -8.624 1.00 0.66 H new ATOM 0 HD1 TYR A 4 1.024 -5.430 -7.713 1.00 0.51 H new ATOM 0 HD2 TYR A 4 3.232 -8.722 -9.250 1.00 0.78 H new ATOM 0 HE1 TYR A 4 -1.066 -6.550 -8.266 1.00 0.60 H new ATOM 0 HE2 TYR A 4 1.126 -9.853 -9.841 1.00 1.00 H new ATOM 0 HH TYR A 4 -1.775 -8.383 -10.058 1.00 1.17 H new ATOM 67 N ILE A 5 2.270 -4.881 -5.524 1.00 0.41 N ATOM 68 CA ILE A 5 1.213 -4.529 -4.594 1.00 0.37 C ATOM 69 C ILE A 5 0.080 -3.797 -5.299 1.00 0.31 C ATOM 70 O ILE A 5 0.248 -3.320 -6.420 1.00 0.33 O ATOM 71 CB ILE A 5 1.712 -3.697 -3.396 1.00 0.42 C ATOM 72 CG1 ILE A 5 1.875 -2.207 -3.739 1.00 0.49 C ATOM 73 CG2 ILE A 5 3.017 -4.268 -2.856 1.00 0.51 C ATOM 74 CD1 ILE A 5 2.996 -1.900 -4.697 1.00 1.00 C ATOM 0 H ILE A 5 2.683 -4.090 -6.018 1.00 0.41 H new ATOM 0 HA ILE A 5 0.840 -5.473 -4.197 1.00 0.37 H new ATOM 0 HB ILE A 5 0.947 -3.762 -2.623 1.00 0.42 H new ATOM 0 HG12 ILE A 5 0.941 -1.842 -4.166 1.00 0.49 H new ATOM 0 HG13 ILE A 5 2.042 -1.652 -2.816 1.00 0.49 H new ATOM 0 HG21 ILE A 5 3.354 -3.668 -2.011 1.00 0.51 H new ATOM 0 HG22 ILE A 5 2.857 -5.296 -2.531 1.00 0.51 H new ATOM 0 HG23 ILE A 5 3.774 -4.249 -3.640 1.00 0.51 H new ATOM 0 HD11 ILE A 5 3.035 -0.826 -4.880 1.00 1.00 H new ATOM 0 HD12 ILE A 5 3.942 -2.229 -4.267 1.00 1.00 H new ATOM 0 HD13 ILE A 5 2.824 -2.422 -5.638 1.00 1.00 H new ATOM 86 N ARG A 6 -1.088 -3.737 -4.663 1.00 0.30 N ATOM 87 CA ARG A 6 -2.240 -3.132 -5.283 1.00 0.32 C ATOM 88 C ARG A 6 -2.683 -1.916 -4.448 1.00 0.31 C ATOM 89 O ARG A 6 -2.789 -1.997 -3.235 1.00 0.31 O ATOM 90 CB ARG A 6 -3.325 -4.225 -5.360 1.00 0.39 C ATOM 91 CG ARG A 6 -4.748 -3.740 -5.214 1.00 0.81 C ATOM 92 CD ARG A 6 -5.310 -3.263 -6.526 1.00 0.61 C ATOM 93 NE ARG A 6 -5.258 -4.287 -7.563 1.00 1.13 N ATOM 94 CZ ARG A 6 -6.338 -4.878 -8.092 1.00 1.78 C ATOM 95 NH1 ARG A 6 -7.551 -4.578 -7.645 1.00 2.03 N ATOM 96 NH2 ARG A 6 -6.203 -5.782 -9.056 1.00 2.73 N ATOM 0 H ARG A 6 -1.250 -4.101 -3.724 1.00 0.30 H new ATOM 0 HA ARG A 6 -2.031 -2.763 -6.287 1.00 0.32 H new ATOM 0 HB2 ARG A 6 -3.231 -4.739 -6.317 1.00 0.39 H new ATOM 0 HB3 ARG A 6 -3.129 -4.962 -4.581 1.00 0.39 H new ATOM 0 HG2 ARG A 6 -5.369 -4.546 -4.823 1.00 0.81 H new ATOM 0 HG3 ARG A 6 -4.783 -2.929 -4.486 1.00 0.81 H new ATOM 0 HD2 ARG A 6 -6.344 -2.949 -6.382 1.00 0.61 H new ATOM 0 HD3 ARG A 6 -4.754 -2.386 -6.858 1.00 0.61 H new ATOM 0 HE ARG A 6 -4.341 -4.571 -7.908 1.00 1.13 H new ATOM 0 HH11 ARG A 6 -7.664 -3.895 -6.896 1.00 2.03 H new ATOM 0 HH12 ARG A 6 -8.370 -5.030 -8.051 1.00 2.03 H new ATOM 0 HH21 ARG A 6 -5.274 -6.029 -9.397 1.00 2.73 H new ATOM 0 HH22 ARG A 6 -7.028 -6.229 -9.455 1.00 2.73 H new ATOM 110 N VAL A 7 -2.932 -0.783 -5.089 1.00 0.34 N ATOM 111 CA VAL A 7 -3.303 0.419 -4.351 1.00 0.38 C ATOM 112 C VAL A 7 -4.412 1.179 -5.049 1.00 0.38 C ATOM 113 O VAL A 7 -4.566 1.091 -6.255 1.00 0.41 O ATOM 114 CB VAL A 7 -2.083 1.346 -4.137 1.00 0.45 C ATOM 115 CG1 VAL A 7 -1.346 1.582 -5.438 1.00 1.21 C ATOM 116 CG2 VAL A 7 -2.474 2.671 -3.491 1.00 1.45 C ATOM 0 H VAL A 7 -2.886 -0.669 -6.102 1.00 0.34 H new ATOM 0 HA VAL A 7 -3.668 0.094 -3.377 1.00 0.38 H new ATOM 0 HB VAL A 7 -1.412 0.834 -3.447 1.00 0.45 H new ATOM 0 HG11 VAL A 7 -0.493 2.237 -5.259 1.00 1.21 H new ATOM 0 HG12 VAL A 7 -0.995 0.630 -5.836 1.00 1.21 H new ATOM 0 HG13 VAL A 7 -2.018 2.050 -6.157 1.00 1.21 H new ATOM 0 HG21 VAL A 7 -1.585 3.288 -3.361 1.00 1.45 H new ATOM 0 HG22 VAL A 7 -3.187 3.191 -4.131 1.00 1.45 H new ATOM 0 HG23 VAL A 7 -2.930 2.481 -2.519 1.00 1.45 H new ATOM 126 N THR A 8 -5.246 1.810 -4.263 1.00 0.39 N ATOM 127 CA THR A 8 -6.186 2.797 -4.747 1.00 0.40 C ATOM 128 C THR A 8 -6.499 3.760 -3.615 1.00 0.42 C ATOM 129 O THR A 8 -6.060 3.532 -2.491 1.00 0.56 O ATOM 130 CB THR A 8 -7.436 2.127 -5.328 1.00 0.43 C ATOM 131 OG1 THR A 8 -8.459 3.086 -5.601 1.00 0.49 O ATOM 132 CG2 THR A 8 -7.949 1.048 -4.405 1.00 0.47 C ATOM 0 H THR A 8 -5.295 1.653 -3.256 1.00 0.39 H new ATOM 0 HA THR A 8 -5.750 3.366 -5.568 1.00 0.40 H new ATOM 0 HB THR A 8 -7.152 1.662 -6.272 1.00 0.43 H new ATOM 0 HG1 THR A 8 -9.245 2.893 -5.048 1.00 0.49 H new ATOM 0 HG21 THR A 8 -8.836 0.588 -4.840 1.00 0.47 H new ATOM 0 HG22 THR A 8 -7.178 0.290 -4.268 1.00 0.47 H new ATOM 0 HG23 THR A 8 -8.204 1.486 -3.440 1.00 0.47 H new ATOM 140 N GLU A 9 -7.198 4.847 -3.877 1.00 0.35 N ATOM 141 CA GLU A 9 -7.655 5.665 -2.775 1.00 0.30 C ATOM 142 C GLU A 9 -8.821 4.962 -2.119 1.00 0.29 C ATOM 143 O GLU A 9 -8.790 4.619 -0.944 1.00 0.41 O ATOM 144 CB GLU A 9 -8.050 7.076 -3.212 1.00 0.31 C ATOM 145 CG GLU A 9 -6.922 8.094 -3.127 1.00 1.13 C ATOM 146 CD GLU A 9 -7.405 9.499 -3.415 1.00 2.20 C ATOM 147 OE1 GLU A 9 -8.018 10.122 -2.521 1.00 2.55 O ATOM 148 OE2 GLU A 9 -7.159 9.993 -4.534 1.00 2.97 O ATOM 0 H GLU A 9 -7.454 5.175 -4.808 1.00 0.35 H new ATOM 0 HA GLU A 9 -6.834 5.789 -2.069 1.00 0.30 H new ATOM 0 HB2 GLU A 9 -8.413 7.038 -4.239 1.00 0.31 H new ATOM 0 HB3 GLU A 9 -8.880 7.417 -2.593 1.00 0.31 H new ATOM 0 HG2 GLU A 9 -6.477 8.060 -2.133 1.00 1.13 H new ATOM 0 HG3 GLU A 9 -6.138 7.827 -3.836 1.00 1.13 H new ATOM 155 N ASP A 10 -9.804 4.655 -2.919 1.00 0.32 N ATOM 156 CA ASP A 10 -10.994 4.050 -2.429 1.00 0.36 C ATOM 157 C ASP A 10 -10.946 2.597 -2.777 1.00 0.33 C ATOM 158 O ASP A 10 -10.510 2.223 -3.856 1.00 0.33 O ATOM 159 CB ASP A 10 -12.221 4.694 -3.048 1.00 0.48 C ATOM 160 CG ASP A 10 -12.582 6.014 -2.401 1.00 0.84 C ATOM 161 OD1 ASP A 10 -12.440 7.061 -3.065 1.00 1.14 O ATOM 162 OD2 ASP A 10 -13.003 6.010 -1.220 1.00 1.11 O ATOM 0 H ASP A 10 -9.795 4.820 -3.926 1.00 0.32 H new ATOM 0 HA ASP A 10 -11.060 4.184 -1.349 1.00 0.36 H new ATOM 0 HB2 ASP A 10 -12.044 4.853 -4.112 1.00 0.48 H new ATOM 0 HB3 ASP A 10 -13.066 4.010 -2.964 1.00 0.48 H new ATOM 167 N GLU A 11 -11.429 1.796 -1.863 1.00 0.38 N ATOM 168 CA GLU A 11 -11.344 0.346 -1.955 1.00 0.40 C ATOM 169 C GLU A 11 -12.006 -0.106 -3.230 1.00 0.47 C ATOM 170 O GLU A 11 -11.718 -1.171 -3.772 1.00 0.60 O ATOM 171 CB GLU A 11 -12.062 -0.281 -0.772 1.00 0.50 C ATOM 172 CG GLU A 11 -11.983 0.554 0.485 1.00 0.69 C ATOM 173 CD GLU A 11 -12.459 -0.195 1.711 1.00 1.05 C ATOM 174 OE1 GLU A 11 -13.536 0.141 2.245 1.00 1.48 O ATOM 175 OE2 GLU A 11 -11.745 -1.114 2.164 1.00 1.37 O ATOM 0 H GLU A 11 -11.899 2.128 -1.021 1.00 0.38 H new ATOM 0 HA GLU A 11 -10.298 0.040 -1.950 1.00 0.40 H new ATOM 0 HB2 GLU A 11 -13.109 -0.436 -1.032 1.00 0.50 H new ATOM 0 HB3 GLU A 11 -11.634 -1.264 -0.575 1.00 0.50 H new ATOM 0 HG2 GLU A 11 -10.953 0.877 0.638 1.00 0.69 H new ATOM 0 HG3 GLU A 11 -12.584 1.454 0.357 1.00 0.69 H new ATOM 182 N ASN A 12 -12.925 0.722 -3.669 1.00 0.49 N ATOM 183 CA ASN A 12 -13.589 0.524 -4.939 1.00 0.60 C ATOM 184 C ASN A 12 -13.510 1.792 -5.801 1.00 0.48 C ATOM 185 O ASN A 12 -14.483 2.173 -6.448 1.00 0.52 O ATOM 186 CB ASN A 12 -15.030 0.091 -4.712 1.00 0.81 C ATOM 187 CG ASN A 12 -15.700 -0.469 -5.954 1.00 1.46 C ATOM 188 OD1 ASN A 12 -16.355 0.251 -6.708 1.00 2.00 O ATOM 189 ND2 ASN A 12 -15.545 -1.762 -6.172 1.00 2.02 N ATOM 0 H ASN A 12 -13.234 1.550 -3.159 1.00 0.49 H new ATOM 0 HA ASN A 12 -13.078 -0.270 -5.484 1.00 0.60 H new ATOM 0 HB2 ASN A 12 -15.054 -0.663 -3.925 1.00 0.81 H new ATOM 0 HB3 ASN A 12 -15.605 0.945 -4.353 1.00 0.81 H new ATOM 0 HD21 ASN A 12 -15.975 -2.197 -6.988 1.00 2.02 H new ATOM 0 HD22 ASN A 12 -14.995 -2.326 -5.524 1.00 2.02 H new ATOM 196 N ASP A 13 -12.361 2.483 -5.781 1.00 0.40 N ATOM 197 CA ASP A 13 -12.104 3.500 -6.796 1.00 0.37 C ATOM 198 C ASP A 13 -11.622 2.778 -8.035 1.00 0.47 C ATOM 199 O ASP A 13 -12.357 2.010 -8.658 1.00 0.59 O ATOM 200 CB ASP A 13 -11.024 4.510 -6.371 1.00 0.34 C ATOM 201 CG ASP A 13 -11.055 5.781 -7.199 1.00 0.39 C ATOM 202 OD1 ASP A 13 -11.807 6.711 -6.837 1.00 0.44 O ATOM 203 OD2 ASP A 13 -10.341 5.850 -8.222 1.00 0.52 O ATOM 0 H ASP A 13 -11.618 2.358 -5.093 1.00 0.40 H new ATOM 0 HA ASP A 13 -13.023 4.063 -6.962 1.00 0.37 H new ATOM 0 HB2 ASP A 13 -11.162 4.762 -5.320 1.00 0.34 H new ATOM 0 HB3 ASP A 13 -10.042 4.046 -6.462 1.00 0.34 H new ATOM 208 N GLU A 14 -10.383 3.028 -8.382 1.00 0.47 N ATOM 209 CA GLU A 14 -9.686 2.202 -9.345 1.00 0.56 C ATOM 210 C GLU A 14 -8.410 1.653 -8.721 1.00 0.50 C ATOM 211 O GLU A 14 -7.356 2.286 -8.780 1.00 0.50 O ATOM 212 CB GLU A 14 -9.373 2.994 -10.600 1.00 0.68 C ATOM 213 CG GLU A 14 -9.369 2.136 -11.851 1.00 1.12 C ATOM 214 CD GLU A 14 -10.650 1.343 -12.023 1.00 1.38 C ATOM 215 OE1 GLU A 14 -11.632 1.897 -12.560 1.00 2.18 O ATOM 216 OE2 GLU A 14 -10.688 0.162 -11.621 1.00 1.73 O ATOM 0 H GLU A 14 -9.831 3.801 -8.011 1.00 0.47 H new ATOM 0 HA GLU A 14 -10.328 1.367 -9.627 1.00 0.56 H new ATOM 0 HB2 GLU A 14 -10.108 3.791 -10.714 1.00 0.68 H new ATOM 0 HB3 GLU A 14 -8.399 3.472 -10.489 1.00 0.68 H new ATOM 0 HG2 GLU A 14 -9.222 2.773 -12.723 1.00 1.12 H new ATOM 0 HG3 GLU A 14 -8.524 1.449 -11.812 1.00 1.12 H new ATOM 223 N PRO A 15 -8.490 0.477 -8.087 1.00 0.50 N ATOM 224 CA PRO A 15 -7.324 -0.182 -7.515 1.00 0.45 C ATOM 225 C PRO A 15 -6.424 -0.758 -8.600 1.00 0.43 C ATOM 226 O PRO A 15 -6.893 -1.381 -9.552 1.00 0.52 O ATOM 227 CB PRO A 15 -7.926 -1.278 -6.655 1.00 0.50 C ATOM 228 CG PRO A 15 -9.190 -1.588 -7.314 1.00 0.57 C ATOM 229 CD PRO A 15 -9.717 -0.292 -7.858 1.00 0.58 C ATOM 0 HA PRO A 15 -6.687 0.498 -6.949 1.00 0.45 H new ATOM 0 HB2 PRO A 15 -7.275 -2.151 -6.608 1.00 0.50 H new ATOM 0 HB3 PRO A 15 -8.082 -0.941 -5.630 1.00 0.50 H new ATOM 0 HG2 PRO A 15 -9.042 -2.313 -8.114 1.00 0.57 H new ATOM 0 HG3 PRO A 15 -9.896 -2.029 -6.611 1.00 0.57 H new ATOM 0 HD2 PRO A 15 -10.282 -0.438 -8.778 1.00 0.58 H new ATOM 0 HD3 PRO A 15 -10.382 0.205 -7.151 1.00 0.58 H new ATOM 237 N ILE A 16 -5.136 -0.553 -8.443 1.00 0.36 N ATOM 238 CA ILE A 16 -4.181 -0.825 -9.491 1.00 0.36 C ATOM 239 C ILE A 16 -3.071 -1.728 -8.991 1.00 0.31 C ATOM 240 O ILE A 16 -2.705 -1.679 -7.817 1.00 0.37 O ATOM 241 CB ILE A 16 -3.578 0.488 -10.009 1.00 0.42 C ATOM 242 CG1 ILE A 16 -3.084 1.333 -8.822 1.00 0.41 C ATOM 243 CG2 ILE A 16 -4.602 1.234 -10.843 1.00 0.51 C ATOM 244 CD1 ILE A 16 -3.872 2.613 -8.587 1.00 0.45 C ATOM 0 H ILE A 16 -4.721 -0.192 -7.584 1.00 0.36 H new ATOM 0 HA ILE A 16 -4.705 -1.331 -10.302 1.00 0.36 H new ATOM 0 HB ILE A 16 -2.722 0.275 -10.650 1.00 0.42 H new ATOM 0 HG12 ILE A 16 -3.125 0.725 -7.918 1.00 0.41 H new ATOM 0 HG13 ILE A 16 -2.038 1.591 -8.986 1.00 0.41 H new ATOM 0 HG21 ILE A 16 -4.167 2.165 -11.207 1.00 0.51 H new ATOM 0 HG22 ILE A 16 -4.900 0.617 -11.691 1.00 0.51 H new ATOM 0 HG23 ILE A 16 -5.476 1.457 -10.232 1.00 0.51 H new ATOM 0 HD11 ILE A 16 -3.455 3.145 -7.732 1.00 0.45 H new ATOM 0 HD12 ILE A 16 -3.811 3.245 -9.473 1.00 0.45 H new ATOM 0 HD13 ILE A 16 -4.915 2.367 -8.388 1.00 0.45 H new ATOM 256 N GLU A 17 -2.563 -2.564 -9.872 1.00 0.34 N ATOM 257 CA GLU A 17 -1.433 -3.418 -9.554 1.00 0.34 C ATOM 258 C GLU A 17 -0.131 -2.783 -10.008 1.00 0.36 C ATOM 259 O GLU A 17 0.042 -2.463 -11.185 1.00 0.45 O ATOM 260 CB GLU A 17 -1.588 -4.757 -10.226 1.00 0.43 C ATOM 261 CG GLU A 17 -2.854 -5.482 -9.833 1.00 0.53 C ATOM 262 CD GLU A 17 -3.307 -6.423 -10.919 1.00 0.98 C ATOM 263 OE1 GLU A 17 -3.772 -5.934 -11.966 1.00 1.62 O ATOM 264 OE2 GLU A 17 -3.188 -7.648 -10.737 1.00 1.35 O ATOM 0 H GLU A 17 -2.917 -2.672 -10.822 1.00 0.34 H new ATOM 0 HA GLU A 17 -1.406 -3.550 -8.472 1.00 0.34 H new ATOM 0 HB2 GLU A 17 -1.579 -4.616 -11.307 1.00 0.43 H new ATOM 0 HB3 GLU A 17 -0.729 -5.381 -9.979 1.00 0.43 H new ATOM 0 HG2 GLU A 17 -2.685 -6.041 -8.912 1.00 0.53 H new ATOM 0 HG3 GLU A 17 -3.641 -4.757 -9.626 1.00 0.53 H new ATOM 271 N ILE A 18 0.785 -2.635 -9.079 1.00 0.32 N ATOM 272 CA ILE A 18 2.047 -1.950 -9.352 1.00 0.39 C ATOM 273 C ILE A 18 3.207 -2.640 -8.648 1.00 0.36 C ATOM 274 O ILE A 18 3.024 -3.255 -7.601 1.00 0.35 O ATOM 275 CB ILE A 18 2.016 -0.459 -8.930 1.00 0.47 C ATOM 276 CG1 ILE A 18 1.627 -0.309 -7.458 1.00 1.18 C ATOM 277 CG2 ILE A 18 1.070 0.334 -9.819 1.00 1.37 C ATOM 278 CD1 ILE A 18 1.795 1.099 -6.928 1.00 1.52 C ATOM 0 H ILE A 18 0.688 -2.977 -8.123 1.00 0.32 H new ATOM 0 HA ILE A 18 2.189 -1.997 -10.432 1.00 0.39 H new ATOM 0 HB ILE A 18 3.021 -0.057 -9.054 1.00 0.47 H new ATOM 0 HG12 ILE A 18 0.588 -0.614 -7.332 1.00 1.18 H new ATOM 0 HG13 ILE A 18 2.234 -0.989 -6.859 1.00 1.18 H new ATOM 0 HG21 ILE A 18 1.064 1.378 -9.505 1.00 1.37 H new ATOM 0 HG22 ILE A 18 1.404 0.269 -10.855 1.00 1.37 H new ATOM 0 HG23 ILE A 18 0.063 -0.076 -9.736 1.00 1.37 H new ATOM 0 HD11 ILE A 18 1.501 1.130 -5.879 1.00 1.52 H new ATOM 0 HD12 ILE A 18 2.838 1.401 -7.021 1.00 1.52 H new ATOM 0 HD13 ILE A 18 1.167 1.781 -7.502 1.00 1.52 H new ATOM 290 N PRO A 19 4.416 -2.550 -9.223 1.00 0.39 N ATOM 291 CA PRO A 19 5.621 -3.125 -8.632 1.00 0.39 C ATOM 292 C PRO A 19 6.253 -2.206 -7.585 1.00 0.36 C ATOM 293 O PRO A 19 6.001 -1.000 -7.562 1.00 0.44 O ATOM 294 CB PRO A 19 6.545 -3.283 -9.838 1.00 0.48 C ATOM 295 CG PRO A 19 6.168 -2.164 -10.747 1.00 0.67 C ATOM 296 CD PRO A 19 4.703 -1.886 -10.511 1.00 0.47 C ATOM 0 HA PRO A 19 5.420 -4.055 -8.100 1.00 0.39 H new ATOM 0 HB2 PRO A 19 7.593 -3.221 -9.546 1.00 0.48 H new ATOM 0 HB3 PRO A 19 6.406 -4.250 -10.321 1.00 0.48 H new ATOM 0 HG2 PRO A 19 6.768 -1.278 -10.539 1.00 0.67 H new ATOM 0 HG3 PRO A 19 6.348 -2.434 -11.788 1.00 0.67 H new ATOM 0 HD2 PRO A 19 4.503 -0.816 -10.462 1.00 0.47 H new ATOM 0 HD3 PRO A 19 4.086 -2.289 -11.314 1.00 0.47 H new ATOM 304 N SER A 20 7.071 -2.787 -6.720 1.00 0.39 N ATOM 305 CA SER A 20 7.745 -2.037 -5.669 1.00 0.39 C ATOM 306 C SER A 20 9.256 -2.137 -5.835 1.00 0.38 C ATOM 307 O SER A 20 9.740 -2.917 -6.657 1.00 0.40 O ATOM 308 CB SER A 20 7.346 -2.583 -4.302 1.00 0.44 C ATOM 309 OG SER A 20 5.942 -2.639 -4.172 1.00 0.97 O ATOM 0 H SER A 20 7.286 -3.784 -6.726 1.00 0.39 H new ATOM 0 HA SER A 20 7.447 -0.991 -5.742 1.00 0.39 H new ATOM 0 HB2 SER A 20 7.768 -3.579 -4.167 1.00 0.44 H new ATOM 0 HB3 SER A 20 7.763 -1.951 -3.518 1.00 0.44 H new ATOM 0 HG SER A 20 5.709 -2.994 -3.289 1.00 0.97 H new ATOM 315 N GLU A 21 9.995 -1.332 -5.079 1.00 0.41 N ATOM 316 CA GLU A 21 11.441 -1.472 -5.026 1.00 0.48 C ATOM 317 C GLU A 21 11.785 -2.792 -4.379 1.00 0.49 C ATOM 318 O GLU A 21 11.103 -3.244 -3.461 1.00 0.45 O ATOM 319 CB GLU A 21 12.093 -0.326 -4.266 1.00 0.53 C ATOM 320 CG GLU A 21 13.607 -0.319 -4.386 1.00 1.47 C ATOM 321 CD GLU A 21 14.267 0.691 -3.481 1.00 1.91 C ATOM 322 OE1 GLU A 21 14.740 0.293 -2.396 1.00 2.77 O ATOM 323 OE2 GLU A 21 14.334 1.878 -3.850 1.00 2.00 O ATOM 0 H GLU A 21 9.618 -0.582 -4.500 1.00 0.41 H new ATOM 0 HA GLU A 21 11.828 -1.443 -6.045 1.00 0.48 H new ATOM 0 HB2 GLU A 21 11.700 0.620 -4.639 1.00 0.53 H new ATOM 0 HB3 GLU A 21 11.818 -0.392 -3.213 1.00 0.53 H new ATOM 0 HG2 GLU A 21 13.989 -1.313 -4.151 1.00 1.47 H new ATOM 0 HG3 GLU A 21 13.883 -0.107 -5.419 1.00 1.47 H new ATOM 330 N ASP A 22 12.870 -3.374 -4.871 1.00 0.61 N ATOM 331 CA ASP A 22 13.295 -4.728 -4.533 1.00 0.70 C ATOM 332 C ASP A 22 13.420 -4.925 -3.038 1.00 0.72 C ATOM 333 O ASP A 22 13.338 -6.046 -2.541 1.00 0.81 O ATOM 334 CB ASP A 22 14.665 -4.975 -5.120 1.00 0.87 C ATOM 335 CG ASP A 22 14.813 -4.476 -6.546 1.00 1.33 C ATOM 336 OD1 ASP A 22 14.610 -5.279 -7.484 1.00 1.43 O ATOM 337 OD2 ASP A 22 15.127 -3.282 -6.743 1.00 2.13 O ATOM 0 H ASP A 22 13.494 -2.909 -5.531 1.00 0.61 H new ATOM 0 HA ASP A 22 12.543 -5.411 -4.929 1.00 0.70 H new ATOM 0 HB2 ASP A 22 15.413 -4.488 -4.494 1.00 0.87 H new ATOM 0 HB3 ASP A 22 14.875 -6.044 -5.094 1.00 0.87 H new ATOM 342 N ASP A 23 13.620 -3.828 -2.325 1.00 0.69 N ATOM 343 CA ASP A 23 13.850 -3.897 -0.884 1.00 0.75 C ATOM 344 C ASP A 23 12.529 -4.105 -0.180 1.00 0.66 C ATOM 345 O ASP A 23 12.460 -4.384 1.019 1.00 0.75 O ATOM 346 CB ASP A 23 14.518 -2.620 -0.386 1.00 0.82 C ATOM 347 CG ASP A 23 14.645 -2.565 1.126 1.00 1.53 C ATOM 348 OD1 ASP A 23 15.537 -3.244 1.680 1.00 1.85 O ATOM 349 OD2 ASP A 23 13.860 -1.839 1.774 1.00 2.32 O ATOM 0 H ASP A 23 13.629 -2.885 -2.713 1.00 0.69 H new ATOM 0 HA ASP A 23 14.514 -4.733 -0.667 1.00 0.75 H new ATOM 0 HB2 ASP A 23 15.510 -2.538 -0.831 1.00 0.82 H new ATOM 0 HB3 ASP A 23 13.943 -1.759 -0.728 1.00 0.82 H new ATOM 354 N GLY A 24 11.480 -4.001 -0.968 1.00 0.56 N ATOM 355 CA GLY A 24 10.140 -4.072 -0.427 1.00 0.55 C ATOM 356 C GLY A 24 9.710 -2.692 -0.026 1.00 0.48 C ATOM 357 O GLY A 24 8.877 -2.490 0.860 1.00 0.55 O ATOM 0 H GLY A 24 11.528 -3.868 -1.978 1.00 0.56 H new ATOM 0 HA2 GLY A 24 9.454 -4.481 -1.169 1.00 0.55 H new ATOM 0 HA3 GLY A 24 10.115 -4.741 0.433 1.00 0.55 H new ATOM 361 N THR A 25 10.336 -1.747 -0.693 1.00 0.40 N ATOM 362 CA THR A 25 10.320 -0.363 -0.316 1.00 0.39 C ATOM 363 C THR A 25 9.665 0.491 -1.402 1.00 0.36 C ATOM 364 O THR A 25 9.698 0.139 -2.581 1.00 0.41 O ATOM 365 CB THR A 25 11.786 0.068 -0.081 1.00 0.51 C ATOM 366 OG1 THR A 25 12.082 0.135 1.316 1.00 0.62 O ATOM 367 CG2 THR A 25 12.105 1.375 -0.768 1.00 0.47 C ATOM 0 H THR A 25 10.883 -1.932 -1.534 1.00 0.40 H new ATOM 0 HA THR A 25 9.733 -0.222 0.592 1.00 0.39 H new ATOM 0 HB THR A 25 12.424 -0.695 -0.527 1.00 0.51 H new ATOM 0 HG1 THR A 25 12.879 -0.403 1.508 1.00 0.62 H new ATOM 0 HG21 THR A 25 13.145 1.642 -0.578 1.00 0.47 H new ATOM 0 HG22 THR A 25 11.948 1.270 -1.841 1.00 0.47 H new ATOM 0 HG23 THR A 25 11.453 2.158 -0.381 1.00 0.47 H new ATOM 375 N VAL A 26 9.037 1.584 -0.989 1.00 0.33 N ATOM 376 CA VAL A 26 8.496 2.556 -1.910 1.00 0.37 C ATOM 377 C VAL A 26 8.640 3.970 -1.350 1.00 0.35 C ATOM 378 O VAL A 26 8.606 4.173 -0.134 1.00 0.32 O ATOM 379 CB VAL A 26 7.023 2.271 -2.222 1.00 0.42 C ATOM 380 CG1 VAL A 26 6.900 1.233 -3.324 1.00 0.47 C ATOM 381 CG2 VAL A 26 6.310 1.790 -0.986 1.00 0.41 C ATOM 0 H VAL A 26 8.892 1.815 -0.006 1.00 0.33 H new ATOM 0 HA VAL A 26 9.066 2.479 -2.836 1.00 0.37 H new ATOM 0 HB VAL A 26 6.561 3.198 -2.561 1.00 0.42 H new ATOM 0 HG11 VAL A 26 5.846 1.045 -3.531 1.00 0.47 H new ATOM 0 HG12 VAL A 26 7.387 1.602 -4.227 1.00 0.47 H new ATOM 0 HG13 VAL A 26 7.379 0.307 -3.006 1.00 0.47 H new ATOM 0 HG21 VAL A 26 5.265 1.592 -1.223 1.00 0.41 H new ATOM 0 HG22 VAL A 26 6.781 0.875 -0.627 1.00 0.41 H new ATOM 0 HG23 VAL A 26 6.368 2.555 -0.212 1.00 0.41 H new ATOM 391 N LEU A 27 8.819 4.936 -2.245 1.00 0.42 N ATOM 392 CA LEU A 27 8.962 6.344 -1.873 1.00 0.45 C ATOM 393 C LEU A 27 7.637 6.900 -1.375 1.00 0.43 C ATOM 394 O LEU A 27 6.817 7.366 -2.154 1.00 0.48 O ATOM 395 CB LEU A 27 9.477 7.139 -3.088 1.00 0.56 C ATOM 396 CG LEU A 27 9.220 6.487 -4.448 1.00 1.25 C ATOM 397 CD1 LEU A 27 7.763 6.660 -4.834 1.00 1.94 C ATOM 398 CD2 LEU A 27 10.144 7.067 -5.510 1.00 1.67 C ATOM 0 H LEU A 27 8.869 4.767 -3.250 1.00 0.42 H new ATOM 0 HA LEU A 27 9.683 6.435 -1.061 1.00 0.45 H new ATOM 0 HB2 LEU A 27 9.011 8.124 -3.081 1.00 0.56 H new ATOM 0 HB3 LEU A 27 10.550 7.293 -2.973 1.00 0.56 H new ATOM 0 HG LEU A 27 9.435 5.421 -4.375 1.00 1.25 H new ATOM 0 HD11 LEU A 27 7.586 6.194 -5.803 1.00 1.94 H new ATOM 0 HD12 LEU A 27 7.129 6.188 -4.083 1.00 1.94 H new ATOM 0 HD13 LEU A 27 7.526 7.722 -4.893 1.00 1.94 H new ATOM 0 HD21 LEU A 27 9.943 6.588 -6.468 1.00 1.67 H new ATOM 0 HD22 LEU A 27 9.970 8.140 -5.597 1.00 1.67 H new ATOM 0 HD23 LEU A 27 11.181 6.889 -5.226 1.00 1.67 H new ATOM 410 N LEU A 28 7.454 6.878 -0.064 1.00 0.45 N ATOM 411 CA LEU A 28 6.178 7.185 0.536 1.00 0.49 C ATOM 412 C LEU A 28 5.800 8.632 0.269 1.00 0.46 C ATOM 413 O LEU A 28 4.721 8.907 -0.229 1.00 0.46 O ATOM 414 CB LEU A 28 6.278 6.883 2.033 1.00 0.63 C ATOM 415 CG LEU A 28 5.997 8.038 2.984 1.00 0.67 C ATOM 416 CD1 LEU A 28 4.502 8.297 3.118 1.00 0.83 C ATOM 417 CD2 LEU A 28 6.616 7.773 4.346 1.00 0.97 C ATOM 0 H LEU A 28 8.187 6.647 0.607 1.00 0.45 H new ATOM 0 HA LEU A 28 5.388 6.573 0.100 1.00 0.49 H new ATOM 0 HB2 LEU A 28 5.584 6.075 2.264 1.00 0.63 H new ATOM 0 HB3 LEU A 28 7.281 6.509 2.238 1.00 0.63 H new ATOM 0 HG LEU A 28 6.454 8.933 2.562 1.00 0.67 H new ATOM 0 HD11 LEU A 28 4.337 9.128 3.804 1.00 0.83 H new ATOM 0 HD12 LEU A 28 4.087 8.545 2.141 1.00 0.83 H new ATOM 0 HD13 LEU A 28 4.011 7.404 3.505 1.00 0.83 H new ATOM 0 HD21 LEU A 28 6.404 8.610 5.011 1.00 0.97 H new ATOM 0 HD22 LEU A 28 6.194 6.860 4.766 1.00 0.97 H new ATOM 0 HD23 LEU A 28 7.695 7.659 4.239 1.00 0.97 H new ATOM 429 N SER A 29 6.726 9.538 0.539 1.00 0.49 N ATOM 430 CA SER A 29 6.485 10.963 0.382 1.00 0.58 C ATOM 431 C SER A 29 6.374 11.304 -1.092 1.00 0.58 C ATOM 432 O SER A 29 5.608 12.189 -1.498 1.00 0.61 O ATOM 433 CB SER A 29 7.617 11.760 1.028 1.00 0.72 C ATOM 434 OG SER A 29 7.852 11.319 2.358 1.00 1.43 O ATOM 0 H SER A 29 7.662 9.308 0.872 1.00 0.49 H new ATOM 0 HA SER A 29 5.550 11.225 0.877 1.00 0.58 H new ATOM 0 HB2 SER A 29 8.527 11.651 0.438 1.00 0.72 H new ATOM 0 HB3 SER A 29 7.365 12.820 1.031 1.00 0.72 H new ATOM 0 HG SER A 29 8.582 11.842 2.752 1.00 1.43 H new ATOM 440 N THR A 30 7.093 10.548 -1.900 1.00 0.60 N ATOM 441 CA THR A 30 7.073 10.744 -3.314 1.00 0.68 C ATOM 442 C THR A 30 5.745 10.233 -3.861 1.00 0.65 C ATOM 443 O THR A 30 5.182 10.786 -4.808 1.00 0.74 O ATOM 444 CB THR A 30 8.293 10.081 -3.942 1.00 0.79 C ATOM 445 OG1 THR A 30 9.461 10.871 -3.681 1.00 1.42 O ATOM 446 CG2 THR A 30 8.092 9.900 -5.410 1.00 0.94 C ATOM 0 H THR A 30 7.699 9.790 -1.586 1.00 0.60 H new ATOM 0 HA THR A 30 7.139 11.802 -3.570 1.00 0.68 H new ATOM 0 HB THR A 30 8.431 9.095 -3.498 1.00 0.79 H new ATOM 0 HG1 THR A 30 10.244 10.441 -4.085 1.00 1.42 H new ATOM 0 HG21 THR A 30 8.973 9.425 -5.842 1.00 0.94 H new ATOM 0 HG22 THR A 30 7.219 9.271 -5.583 1.00 0.94 H new ATOM 0 HG23 THR A 30 7.937 10.872 -5.879 1.00 0.94 H new ATOM 454 N VAL A 31 5.229 9.203 -3.213 1.00 0.56 N ATOM 455 CA VAL A 31 3.875 8.752 -3.449 1.00 0.58 C ATOM 456 C VAL A 31 2.874 9.835 -3.031 1.00 0.56 C ATOM 457 O VAL A 31 1.909 10.081 -3.725 1.00 0.67 O ATOM 458 CB VAL A 31 3.591 7.427 -2.701 1.00 0.55 C ATOM 459 CG1 VAL A 31 2.099 7.163 -2.570 1.00 0.65 C ATOM 460 CG2 VAL A 31 4.249 6.283 -3.445 1.00 0.57 C ATOM 0 H VAL A 31 5.736 8.661 -2.513 1.00 0.56 H new ATOM 0 HA VAL A 31 3.759 8.564 -4.516 1.00 0.58 H new ATOM 0 HB VAL A 31 4.002 7.509 -1.695 1.00 0.55 H new ATOM 0 HG11 VAL A 31 1.941 6.224 -2.039 1.00 0.65 H new ATOM 0 HG12 VAL A 31 1.633 7.977 -2.014 1.00 0.65 H new ATOM 0 HG13 VAL A 31 1.652 7.099 -3.562 1.00 0.65 H new ATOM 0 HG21 VAL A 31 4.052 5.347 -2.922 1.00 0.57 H new ATOM 0 HG22 VAL A 31 3.845 6.226 -4.456 1.00 0.57 H new ATOM 0 HG23 VAL A 31 5.325 6.452 -3.494 1.00 0.57 H new ATOM 470 N THR A 32 3.130 10.510 -1.912 1.00 0.49 N ATOM 471 CA THR A 32 2.225 11.555 -1.415 1.00 0.52 C ATOM 472 C THR A 32 2.155 12.745 -2.365 1.00 0.64 C ATOM 473 O THR A 32 1.275 13.591 -2.215 1.00 0.72 O ATOM 474 CB THR A 32 2.562 12.064 0.010 1.00 0.48 C ATOM 475 OG1 THR A 32 3.503 13.147 -0.036 1.00 0.67 O ATOM 476 CG2 THR A 32 3.130 10.970 0.863 1.00 0.52 C ATOM 0 H THR A 32 3.954 10.356 -1.331 1.00 0.49 H new ATOM 0 HA THR A 32 1.253 11.064 -1.363 1.00 0.52 H new ATOM 0 HB THR A 32 1.626 12.412 0.448 1.00 0.48 H new ATOM 0 HG1 THR A 32 4.299 12.868 -0.535 1.00 0.67 H new ATOM 0 HG21 THR A 32 3.355 11.362 1.855 1.00 0.52 H new ATOM 0 HG22 THR A 32 2.404 10.161 0.948 1.00 0.52 H new ATOM 0 HG23 THR A 32 4.044 10.591 0.407 1.00 0.52 H new ATOM 484 N ALA A 33 3.154 12.867 -3.251 1.00 0.69 N ATOM 485 CA ALA A 33 3.179 13.889 -4.322 1.00 0.82 C ATOM 486 C ALA A 33 1.959 13.866 -5.246 1.00 0.88 C ATOM 487 O ALA A 33 2.086 14.061 -6.456 1.00 0.93 O ATOM 488 CB ALA A 33 4.435 13.727 -5.144 1.00 0.89 C ATOM 0 H ALA A 33 3.974 12.260 -3.250 1.00 0.69 H new ATOM 0 HA ALA A 33 3.158 14.855 -3.817 1.00 0.82 H new ATOM 0 HB1 ALA A 33 4.453 14.479 -5.932 1.00 0.89 H new ATOM 0 HB2 ALA A 33 5.308 13.852 -4.503 1.00 0.89 H new ATOM 0 HB3 ALA A 33 4.452 12.733 -5.591 1.00 0.89 H new ATOM 494 N GLN A 34 0.795 13.665 -4.660 1.00 0.92 N ATOM 495 CA GLN A 34 -0.448 13.474 -5.373 1.00 0.98 C ATOM 496 C GLN A 34 -1.510 13.051 -4.394 1.00 0.91 C ATOM 497 O GLN A 34 -1.331 13.149 -3.182 1.00 0.81 O ATOM 498 CB GLN A 34 -0.299 12.371 -6.399 1.00 1.04 C ATOM 499 CG GLN A 34 0.258 11.095 -5.831 1.00 0.94 C ATOM 500 CD GLN A 34 1.447 10.589 -6.628 1.00 0.96 C ATOM 501 OE1 GLN A 34 1.291 9.781 -7.544 1.00 1.05 O ATOM 502 NE2 GLN A 34 2.645 11.086 -6.316 1.00 0.89 N ATOM 0 H GLN A 34 0.687 13.629 -3.646 1.00 0.92 H new ATOM 0 HA GLN A 34 -0.717 14.407 -5.868 1.00 0.98 H new ATOM 0 HB2 GLN A 34 -1.272 12.166 -6.845 1.00 1.04 H new ATOM 0 HB3 GLN A 34 0.353 12.717 -7.201 1.00 1.04 H new ATOM 0 HG2 GLN A 34 0.559 11.260 -4.796 1.00 0.94 H new ATOM 0 HG3 GLN A 34 -0.521 10.333 -5.819 1.00 0.94 H new ATOM 0 HE21 GLN A 34 2.736 11.754 -5.550 1.00 0.89 H new ATOM 0 HE22 GLN A 34 3.470 10.798 -6.843 1.00 0.89 H new ATOM 511 N PHE A 35 -2.613 12.579 -4.921 1.00 0.98 N ATOM 512 CA PHE A 35 -3.578 11.897 -4.114 1.00 0.94 C ATOM 513 C PHE A 35 -3.566 10.412 -4.477 1.00 0.94 C ATOM 514 O PHE A 35 -4.252 9.981 -5.405 1.00 1.07 O ATOM 515 CB PHE A 35 -4.928 12.511 -4.422 1.00 1.08 C ATOM 516 CG PHE A 35 -5.139 13.882 -3.828 1.00 1.12 C ATOM 517 CD1 PHE A 35 -4.300 14.937 -4.157 1.00 1.15 C ATOM 518 CD2 PHE A 35 -6.184 14.118 -2.952 1.00 1.39 C ATOM 519 CE1 PHE A 35 -4.500 16.193 -3.622 1.00 1.25 C ATOM 520 CE2 PHE A 35 -6.388 15.373 -2.412 1.00 1.50 C ATOM 521 CZ PHE A 35 -5.545 16.411 -2.749 1.00 1.33 C ATOM 0 H PHE A 35 -2.859 12.658 -5.908 1.00 0.98 H new ATOM 0 HA PHE A 35 -3.357 11.992 -3.051 1.00 0.94 H new ATOM 0 HB2 PHE A 35 -5.046 12.575 -5.504 1.00 1.08 H new ATOM 0 HB3 PHE A 35 -5.709 11.845 -4.055 1.00 1.08 H new ATOM 0 HD1 PHE A 35 -3.480 14.773 -4.840 1.00 1.15 H new ATOM 0 HD2 PHE A 35 -6.849 13.310 -2.687 1.00 1.39 H new ATOM 0 HE1 PHE A 35 -3.839 17.005 -3.887 1.00 1.25 H new ATOM 0 HE2 PHE A 35 -7.206 15.541 -1.727 1.00 1.50 H new ATOM 0 HZ PHE A 35 -5.703 17.394 -2.330 1.00 1.33 H new ATOM 531 N PRO A 36 -2.761 9.622 -3.755 1.00 0.82 N ATOM 532 CA PRO A 36 -2.708 8.175 -3.882 1.00 0.85 C ATOM 533 C PRO A 36 -3.045 7.405 -2.594 1.00 0.77 C ATOM 534 O PRO A 36 -2.929 6.184 -2.552 1.00 0.83 O ATOM 535 CB PRO A 36 -1.225 8.022 -4.137 1.00 0.82 C ATOM 536 CG PRO A 36 -0.622 8.991 -3.162 1.00 0.67 C ATOM 537 CD PRO A 36 -1.658 10.067 -2.917 1.00 0.69 C ATOM 0 HA PRO A 36 -3.414 7.792 -4.619 1.00 0.85 H new ATOM 0 HB2 PRO A 36 -0.886 7.002 -3.956 1.00 0.82 H new ATOM 0 HB3 PRO A 36 -0.963 8.267 -5.166 1.00 0.82 H new ATOM 0 HG2 PRO A 36 -0.358 8.489 -2.231 1.00 0.67 H new ATOM 0 HG3 PRO A 36 0.296 9.422 -3.563 1.00 0.67 H new ATOM 0 HD2 PRO A 36 -1.943 10.128 -1.867 1.00 0.69 H new ATOM 0 HD3 PRO A 36 -1.298 11.054 -3.207 1.00 0.69 H new ATOM 545 N GLY A 37 -3.445 8.122 -1.551 1.00 0.67 N ATOM 546 CA GLY A 37 -3.406 7.575 -0.200 1.00 0.60 C ATOM 547 C GLY A 37 -2.278 8.228 0.586 1.00 0.48 C ATOM 548 O GLY A 37 -2.321 8.334 1.803 1.00 0.51 O ATOM 0 H GLY A 37 -3.798 9.077 -1.613 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -4.359 7.748 0.300 1.00 0.60 H new ATOM 0 HA3 GLY A 37 -3.258 6.496 -0.238 1.00 0.60 H new ATOM 552 N ALA A 38 -1.273 8.666 -0.156 1.00 0.45 N ATOM 553 CA ALA A 38 -0.239 9.580 0.308 1.00 0.40 C ATOM 554 C ALA A 38 0.619 9.039 1.448 1.00 0.35 C ATOM 555 O ALA A 38 1.609 8.352 1.208 1.00 0.43 O ATOM 556 CB ALA A 38 -0.835 10.929 0.679 1.00 0.41 C ATOM 0 H ALA A 38 -1.150 8.387 -1.129 1.00 0.45 H new ATOM 0 HA ALA A 38 0.439 9.700 -0.537 1.00 0.40 H new ATOM 0 HB1 ALA A 38 -0.043 11.595 1.023 1.00 0.41 H new ATOM 0 HB2 ALA A 38 -1.322 11.364 -0.194 1.00 0.41 H new ATOM 0 HB3 ALA A 38 -1.568 10.796 1.475 1.00 0.41 H new ATOM 562 N SER A 39 0.226 9.322 2.677 1.00 0.32 N ATOM 563 CA SER A 39 1.160 9.260 3.794 1.00 0.34 C ATOM 564 C SER A 39 0.661 8.298 4.848 1.00 0.32 C ATOM 565 O SER A 39 1.366 7.962 5.802 1.00 0.48 O ATOM 566 CB SER A 39 1.342 10.657 4.380 1.00 0.41 C ATOM 567 OG SER A 39 2.374 10.691 5.356 1.00 1.11 O ATOM 0 H SER A 39 -0.724 9.595 2.929 1.00 0.32 H new ATOM 0 HA SER A 39 2.124 8.896 3.438 1.00 0.34 H new ATOM 0 HB2 SER A 39 1.576 11.359 3.580 1.00 0.41 H new ATOM 0 HB3 SER A 39 0.406 10.987 4.830 1.00 0.41 H new ATOM 0 HG SER A 39 2.467 9.805 5.765 1.00 1.11 H new ATOM 573 N GLY A 40 -0.567 7.882 4.671 1.00 0.36 N ATOM 574 CA GLY A 40 -1.156 6.900 5.521 1.00 0.35 C ATOM 575 C GLY A 40 -1.561 5.720 4.710 1.00 0.32 C ATOM 576 O GLY A 40 -1.819 5.858 3.517 1.00 0.39 O ATOM 0 H GLY A 40 -1.181 8.220 3.930 1.00 0.36 H new ATOM 0 HA2 GLY A 40 -0.447 6.599 6.292 1.00 0.35 H new ATOM 0 HA3 GLY A 40 -2.023 7.319 6.032 1.00 0.35 H new ATOM 580 N LEU A 41 -1.626 4.564 5.314 1.00 0.28 N ATOM 581 CA LEU A 41 -2.072 3.429 4.575 1.00 0.26 C ATOM 582 C LEU A 41 -3.150 2.666 5.310 1.00 0.25 C ATOM 583 O LEU A 41 -3.123 2.544 6.533 1.00 0.28 O ATOM 584 CB LEU A 41 -0.898 2.509 4.253 1.00 0.29 C ATOM 585 CG LEU A 41 -0.748 2.187 2.772 1.00 0.35 C ATOM 586 CD1 LEU A 41 -2.026 1.623 2.204 1.00 0.56 C ATOM 587 CD2 LEU A 41 -0.350 3.444 2.031 1.00 0.45 C ATOM 0 H LEU A 41 -1.382 4.391 6.289 1.00 0.28 H new ATOM 0 HA LEU A 41 -2.505 3.795 3.644 1.00 0.26 H new ATOM 0 HB2 LEU A 41 0.022 2.974 4.608 1.00 0.29 H new ATOM 0 HB3 LEU A 41 -1.018 1.577 4.806 1.00 0.29 H new ATOM 0 HG LEU A 41 0.026 1.429 2.652 1.00 0.35 H new ATOM 0 HD11 LEU A 41 -1.888 1.403 1.145 1.00 0.56 H new ATOM 0 HD12 LEU A 41 -2.287 0.707 2.734 1.00 0.56 H new ATOM 0 HD13 LEU A 41 -2.829 2.351 2.322 1.00 0.56 H new ATOM 0 HD21 LEU A 41 -0.241 3.221 0.970 1.00 0.45 H new ATOM 0 HD22 LEU A 41 -1.119 4.204 2.165 1.00 0.45 H new ATOM 0 HD23 LEU A 41 0.597 3.813 2.424 1.00 0.45 H new ATOM 599 N ARG A 42 -4.139 2.238 4.557 1.00 0.23 N ATOM 600 CA ARG A 42 -5.002 1.168 4.973 1.00 0.21 C ATOM 601 C ARG A 42 -4.998 0.145 3.888 1.00 0.21 C ATOM 602 O ARG A 42 -4.618 0.457 2.784 1.00 0.27 O ATOM 603 CB ARG A 42 -6.402 1.644 5.188 1.00 0.24 C ATOM 604 CG ARG A 42 -6.506 2.586 6.333 1.00 0.32 C ATOM 605 CD ARG A 42 -7.936 3.018 6.504 1.00 0.39 C ATOM 606 NE ARG A 42 -8.909 2.026 6.037 1.00 0.99 N ATOM 607 CZ ARG A 42 -10.221 2.269 5.915 1.00 1.25 C ATOM 608 NH1 ARG A 42 -10.710 3.466 6.202 1.00 1.20 N ATOM 609 NH2 ARG A 42 -11.043 1.321 5.475 1.00 1.94 N ATOM 0 H ARG A 42 -4.363 2.625 3.640 1.00 0.23 H new ATOM 0 HA ARG A 42 -4.642 0.760 5.917 1.00 0.21 H new ATOM 0 HB2 ARG A 42 -6.760 2.134 4.283 1.00 0.24 H new ATOM 0 HB3 ARG A 42 -7.052 0.787 5.365 1.00 0.24 H new ATOM 0 HG2 ARG A 42 -6.149 2.107 7.245 1.00 0.32 H new ATOM 0 HG3 ARG A 42 -5.871 3.455 6.160 1.00 0.32 H new ATOM 0 HD2 ARG A 42 -8.120 3.227 7.558 1.00 0.39 H new ATOM 0 HD3 ARG A 42 -8.092 3.951 5.962 1.00 0.39 H new ATOM 0 HE ARG A 42 -8.567 1.097 5.791 1.00 0.99 H new ATOM 0 HH11 ARG A 42 -10.087 4.209 6.518 1.00 1.20 H new ATOM 0 HH12 ARG A 42 -11.710 3.645 6.107 1.00 1.20 H new ATOM 0 HH21 ARG A 42 -10.676 0.402 5.228 1.00 1.94 H new ATOM 0 HH22 ARG A 42 -12.041 1.513 5.385 1.00 1.94 H new ATOM 623 N TYR A 43 -5.329 -1.076 4.177 1.00 0.22 N ATOM 624 CA TYR A 43 -5.636 -1.976 3.098 1.00 0.25 C ATOM 625 C TYR A 43 -6.551 -3.076 3.534 1.00 0.33 C ATOM 626 O TYR A 43 -6.683 -3.351 4.731 1.00 0.41 O ATOM 627 CB TYR A 43 -4.376 -2.513 2.436 1.00 0.26 C ATOM 628 CG TYR A 43 -3.518 -3.415 3.290 1.00 0.39 C ATOM 629 CD1 TYR A 43 -2.712 -2.900 4.284 1.00 0.70 C ATOM 630 CD2 TYR A 43 -3.510 -4.784 3.082 1.00 0.98 C ATOM 631 CE1 TYR A 43 -1.920 -3.725 5.061 1.00 0.77 C ATOM 632 CE2 TYR A 43 -2.723 -5.617 3.850 1.00 1.14 C ATOM 633 CZ TYR A 43 -1.930 -5.086 4.838 1.00 0.76 C ATOM 634 OH TYR A 43 -1.146 -5.920 5.607 1.00 0.97 O ATOM 0 H TYR A 43 -5.394 -1.467 5.117 1.00 0.22 H new ATOM 0 HA TYR A 43 -6.171 -1.400 2.343 1.00 0.25 H new ATOM 0 HB2 TYR A 43 -4.665 -3.061 1.539 1.00 0.26 H new ATOM 0 HB3 TYR A 43 -3.770 -1.667 2.112 1.00 0.26 H new ATOM 0 HD1 TYR A 43 -2.699 -1.834 4.458 1.00 0.70 H new ATOM 0 HD2 TYR A 43 -4.130 -5.207 2.305 1.00 0.98 H new ATOM 0 HE1 TYR A 43 -1.297 -3.306 5.838 1.00 0.77 H new ATOM 0 HE2 TYR A 43 -2.730 -6.683 3.675 1.00 1.14 H new ATOM 0 HH TYR A 43 -0.383 -6.232 5.077 1.00 0.97 H new ATOM 644 N ARG A 44 -7.181 -3.666 2.531 1.00 0.35 N ATOM 645 CA ARG A 44 -8.141 -4.729 2.710 1.00 0.43 C ATOM 646 C ARG A 44 -7.523 -6.046 2.253 1.00 0.47 C ATOM 647 O ARG A 44 -6.867 -6.105 1.187 1.00 0.50 O ATOM 648 CB ARG A 44 -9.414 -4.410 1.917 1.00 0.57 C ATOM 649 CG ARG A 44 -10.529 -5.420 2.101 1.00 1.17 C ATOM 650 CD ARG A 44 -11.755 -5.070 1.270 1.00 1.33 C ATOM 651 NE ARG A 44 -12.413 -3.845 1.727 1.00 1.56 N ATOM 652 CZ ARG A 44 -13.732 -3.727 1.887 1.00 1.98 C ATOM 653 NH1 ARG A 44 -14.531 -4.762 1.656 1.00 2.27 N ATOM 654 NH2 ARG A 44 -14.249 -2.576 2.288 1.00 2.72 N ATOM 0 H ARG A 44 -7.033 -3.411 1.555 1.00 0.35 H new ATOM 0 HA ARG A 44 -8.410 -4.819 3.763 1.00 0.43 H new ATOM 0 HB2 ARG A 44 -9.777 -3.426 2.214 1.00 0.57 H new ATOM 0 HB3 ARG A 44 -9.164 -4.351 0.858 1.00 0.57 H new ATOM 0 HG2 ARG A 44 -10.171 -6.411 1.821 1.00 1.17 H new ATOM 0 HG3 ARG A 44 -10.806 -5.467 3.154 1.00 1.17 H new ATOM 0 HD2 ARG A 44 -11.461 -4.953 0.227 1.00 1.33 H new ATOM 0 HD3 ARG A 44 -12.465 -5.896 1.310 1.00 1.33 H new ATOM 0 HE ARG A 44 -11.829 -3.035 1.935 1.00 1.56 H new ATOM 0 HH11 ARG A 44 -14.137 -5.653 1.355 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -15.539 -4.666 1.780 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -13.639 -1.780 2.474 1.00 2.72 H new ATOM 0 HH22 ARG A 44 -15.258 -2.485 2.411 1.00 2.72 H new ATOM 668 N ASN A 45 -7.741 -7.089 3.063 1.00 0.55 N ATOM 669 CA ASN A 45 -7.052 -8.363 2.896 1.00 0.90 C ATOM 670 C ASN A 45 -8.013 -9.485 2.543 1.00 1.23 C ATOM 671 O ASN A 45 -9.197 -9.264 2.417 1.00 1.89 O ATOM 672 CB ASN A 45 -6.290 -8.754 4.180 1.00 1.76 C ATOM 673 CG ASN A 45 -5.303 -7.713 4.677 1.00 2.34 C ATOM 674 OD1 ASN A 45 -5.572 -6.518 4.653 1.00 3.04 O ATOM 675 ND2 ASN A 45 -4.137 -8.164 5.122 1.00 2.60 N ATOM 0 H ASN A 45 -8.396 -7.069 3.845 1.00 0.55 H new ATOM 0 HA ASN A 45 -6.348 -8.227 2.075 1.00 0.90 H new ATOM 0 HB2 ASN A 45 -7.015 -8.953 4.969 1.00 1.76 H new ATOM 0 HB3 ASN A 45 -5.753 -9.685 3.998 1.00 1.76 H new ATOM 0 HD21 ASN A 45 -3.431 -7.509 5.458 1.00 2.60 H new ATOM 0 HD22 ASN A 45 -3.946 -9.166 5.128 1.00 2.60 H new ATOM 723 N GLN A 49 -8.797 -8.907 7.193 1.00 1.21 N ATOM 724 CA GLN A 49 -9.188 -7.666 6.529 1.00 1.14 C ATOM 725 C GLN A 49 -9.123 -6.451 7.419 1.00 1.20 C ATOM 726 O GLN A 49 -10.010 -5.595 7.423 1.00 1.90 O ATOM 727 CB GLN A 49 -10.550 -7.813 5.962 1.00 1.97 C ATOM 728 CG GLN A 49 -10.566 -8.903 4.937 1.00 2.63 C ATOM 729 CD GLN A 49 -11.738 -8.821 4.030 1.00 3.38 C ATOM 730 OE1 GLN A 49 -12.826 -9.322 4.317 1.00 4.20 O ATOM 731 NE2 GLN A 49 -11.486 -8.243 2.891 1.00 3.27 N ATOM 0 HA GLN A 49 -8.460 -7.495 5.736 1.00 1.14 H new ATOM 0 HB2 GLN A 49 -11.260 -8.040 6.757 1.00 1.97 H new ATOM 0 HB3 GLN A 49 -10.867 -6.873 5.510 1.00 1.97 H new ATOM 0 HG2 GLN A 49 -9.651 -8.854 4.347 1.00 2.63 H new ATOM 0 HG3 GLN A 49 -10.569 -9.870 5.441 1.00 2.63 H new ATOM 0 HE21 GLN A 49 -10.563 -7.846 2.713 1.00 3.27 H new ATOM 0 HE22 GLN A 49 -12.211 -8.187 2.176 1.00 3.27 H new ATOM 740 N SER A 50 -8.072 -6.406 8.165 1.00 0.86 N ATOM 741 CA SER A 50 -7.743 -5.247 8.970 1.00 0.87 C ATOM 742 C SER A 50 -7.378 -4.099 8.050 1.00 0.98 C ATOM 743 O SER A 50 -6.501 -4.267 7.207 1.00 1.72 O ATOM 744 CB SER A 50 -6.559 -5.554 9.870 1.00 0.91 C ATOM 745 OG SER A 50 -6.619 -6.885 10.365 1.00 1.46 O ATOM 0 H SER A 50 -7.402 -7.171 8.244 1.00 0.86 H new ATOM 0 HA SER A 50 -8.602 -4.982 9.587 1.00 0.87 H new ATOM 0 HB2 SER A 50 -5.631 -5.411 9.316 1.00 0.91 H new ATOM 0 HB3 SER A 50 -6.543 -4.853 10.705 1.00 0.91 H new ATOM 0 HG SER A 50 -5.844 -7.056 10.940 1.00 1.46 H new ATOM 751 N MET A 51 -8.050 -2.953 8.178 1.00 0.51 N ATOM 752 CA MET A 51 -7.666 -1.781 7.404 1.00 0.48 C ATOM 753 C MET A 51 -6.339 -1.287 7.932 1.00 0.44 C ATOM 754 O MET A 51 -6.268 -0.347 8.729 1.00 0.59 O ATOM 755 CB MET A 51 -8.723 -0.677 7.465 1.00 0.57 C ATOM 756 CG MET A 51 -10.126 -1.190 7.197 1.00 1.07 C ATOM 757 SD MET A 51 -10.323 -1.795 5.509 1.00 1.84 S ATOM 758 CE MET A 51 -11.975 -2.488 5.583 1.00 2.35 C ATOM 0 H MET A 51 -8.847 -2.816 8.799 1.00 0.51 H new ATOM 0 HA MET A 51 -7.579 -2.059 6.354 1.00 0.48 H new ATOM 0 HB2 MET A 51 -8.695 -0.207 8.448 1.00 0.57 H new ATOM 0 HB3 MET A 51 -8.478 0.095 6.736 1.00 0.57 H new ATOM 0 HG2 MET A 51 -10.357 -1.993 7.897 1.00 1.07 H new ATOM 0 HG3 MET A 51 -10.844 -0.391 7.380 1.00 1.07 H new ATOM 0 HE1 MET A 51 -12.240 -2.902 4.610 1.00 2.35 H new ATOM 0 HE2 MET A 51 -12.005 -3.278 6.334 1.00 2.35 H new ATOM 0 HE3 MET A 51 -12.686 -1.706 5.850 1.00 2.35 H new ATOM 768 N ARG A 52 -5.293 -1.954 7.493 1.00 0.35 N ATOM 769 CA ARG A 52 -3.991 -1.815 8.097 1.00 0.36 C ATOM 770 C ARG A 52 -3.105 -0.924 7.269 1.00 0.28 C ATOM 771 O ARG A 52 -3.274 -0.795 6.066 1.00 0.30 O ATOM 772 CB ARG A 52 -3.363 -3.194 8.254 1.00 0.48 C ATOM 773 CG ARG A 52 -1.940 -3.209 8.766 1.00 0.75 C ATOM 774 CD ARG A 52 -1.296 -4.509 8.348 1.00 0.70 C ATOM 775 NE ARG A 52 -0.228 -4.940 9.240 1.00 1.42 N ATOM 776 CZ ARG A 52 0.466 -6.063 9.064 1.00 1.76 C ATOM 777 NH1 ARG A 52 0.213 -6.838 8.017 1.00 1.81 N ATOM 778 NH2 ARG A 52 1.405 -6.413 9.931 1.00 2.48 N ATOM 0 H ARG A 52 -5.324 -2.606 6.709 1.00 0.35 H new ATOM 0 HA ARG A 52 -4.102 -1.351 9.077 1.00 0.36 H new ATOM 0 HB2 ARG A 52 -3.981 -3.780 8.934 1.00 0.48 H new ATOM 0 HB3 ARG A 52 -3.388 -3.697 7.287 1.00 0.48 H new ATOM 0 HG2 ARG A 52 -1.383 -2.363 8.363 1.00 0.75 H new ATOM 0 HG3 ARG A 52 -1.927 -3.111 9.852 1.00 0.75 H new ATOM 0 HD2 ARG A 52 -2.059 -5.286 8.305 1.00 0.70 H new ATOM 0 HD3 ARG A 52 -0.895 -4.400 7.340 1.00 0.70 H new ATOM 0 HE ARG A 52 0.000 -4.351 10.041 1.00 1.42 H new ATOM 0 HH11 ARG A 52 -0.511 -6.573 7.350 1.00 1.81 H new ATOM 0 HH12 ARG A 52 0.743 -7.699 7.880 1.00 1.81 H new ATOM 0 HH21 ARG A 52 1.600 -5.821 10.739 1.00 2.48 H new ATOM 0 HH22 ARG A 52 1.933 -7.274 9.791 1.00 2.48 H new ATOM 792 N GLY A 53 -2.184 -0.309 7.946 1.00 0.32 N ATOM 793 CA GLY A 53 -1.254 0.592 7.323 1.00 0.35 C ATOM 794 C GLY A 53 0.097 -0.008 7.028 1.00 0.32 C ATOM 795 O GLY A 53 0.494 -1.030 7.589 1.00 0.41 O ATOM 0 H GLY A 53 -2.053 -0.416 8.952 1.00 0.32 H new ATOM 0 HA2 GLY A 53 -1.688 0.954 6.391 1.00 0.35 H new ATOM 0 HA3 GLY A 53 -1.119 1.459 7.970 1.00 0.35 H new ATOM 799 N VAL A 54 0.783 0.665 6.130 1.00 0.31 N ATOM 800 CA VAL A 54 2.099 0.279 5.651 1.00 0.31 C ATOM 801 C VAL A 54 3.185 1.089 6.376 1.00 0.28 C ATOM 802 O VAL A 54 2.985 2.267 6.660 1.00 0.29 O ATOM 803 CB VAL A 54 2.188 0.470 4.115 1.00 0.36 C ATOM 804 CG1 VAL A 54 3.594 0.189 3.609 1.00 0.40 C ATOM 805 CG2 VAL A 54 1.197 -0.453 3.424 1.00 0.43 C ATOM 0 H VAL A 54 0.433 1.521 5.699 1.00 0.31 H new ATOM 0 HA VAL A 54 2.262 -0.776 5.869 1.00 0.31 H new ATOM 0 HB VAL A 54 1.944 1.507 3.884 1.00 0.36 H new ATOM 0 HG11 VAL A 54 3.627 0.331 2.529 1.00 0.40 H new ATOM 0 HG12 VAL A 54 4.296 0.873 4.086 1.00 0.40 H new ATOM 0 HG13 VAL A 54 3.868 -0.838 3.849 1.00 0.40 H new ATOM 0 HG21 VAL A 54 1.263 -0.315 2.345 1.00 0.43 H new ATOM 0 HG22 VAL A 54 1.430 -1.488 3.673 1.00 0.43 H new ATOM 0 HG23 VAL A 54 0.187 -0.218 3.759 1.00 0.43 H new ATOM 815 N ARG A 55 4.321 0.445 6.689 1.00 0.30 N ATOM 816 CA ARG A 55 5.363 1.058 7.525 1.00 0.33 C ATOM 817 C ARG A 55 5.982 2.267 6.864 1.00 0.33 C ATOM 818 O ARG A 55 6.272 2.239 5.681 1.00 0.36 O ATOM 819 CB ARG A 55 6.468 0.077 7.845 1.00 0.42 C ATOM 820 CG ARG A 55 6.033 -0.980 8.809 1.00 0.63 C ATOM 821 CD ARG A 55 5.459 -2.164 8.072 1.00 1.67 C ATOM 822 NE ARG A 55 4.764 -3.065 8.983 1.00 2.30 N ATOM 823 CZ ARG A 55 3.515 -2.885 9.410 1.00 3.38 C ATOM 824 NH1 ARG A 55 2.809 -1.844 8.986 1.00 4.11 N ATOM 825 NH2 ARG A 55 2.976 -3.732 10.271 1.00 3.89 N ATOM 0 H ARG A 55 4.540 -0.500 6.375 1.00 0.30 H new ATOM 0 HA ARG A 55 4.864 1.365 8.444 1.00 0.33 H new ATOM 0 HB2 ARG A 55 6.809 -0.394 6.923 1.00 0.42 H new ATOM 0 HB3 ARG A 55 7.319 0.616 8.261 1.00 0.42 H new ATOM 0 HG2 ARG A 55 6.881 -1.298 9.416 1.00 0.63 H new ATOM 0 HG3 ARG A 55 5.287 -0.573 9.492 1.00 0.63 H new ATOM 0 HD2 ARG A 55 4.769 -1.817 7.303 1.00 1.67 H new ATOM 0 HD3 ARG A 55 6.259 -2.702 7.564 1.00 1.67 H new ATOM 0 HE ARG A 55 5.267 -3.888 9.315 1.00 2.30 H new ATOM 0 HH11 ARG A 55 3.223 -1.180 8.332 1.00 4.11 H new ATOM 0 HH12 ARG A 55 1.853 -1.708 9.314 1.00 4.11 H new ATOM 0 HH21 ARG A 55 3.517 -4.527 10.611 1.00 3.89 H new ATOM 0 HH22 ARG A 55 2.019 -3.590 10.595 1.00 3.89 H new ATOM 839 N LEU A 56 6.176 3.328 7.617 1.00 0.37 N ATOM 840 CA LEU A 56 6.853 4.493 7.086 1.00 0.38 C ATOM 841 C LEU A 56 8.157 4.751 7.847 1.00 0.40 C ATOM 842 O LEU A 56 8.147 5.081 9.030 1.00 0.48 O ATOM 843 CB LEU A 56 5.929 5.712 7.119 1.00 0.45 C ATOM 844 CG LEU A 56 5.342 6.066 8.481 1.00 0.58 C ATOM 845 CD1 LEU A 56 5.887 7.397 8.968 1.00 1.48 C ATOM 846 CD2 LEU A 56 3.823 6.093 8.418 1.00 1.53 C ATOM 0 H LEU A 56 5.878 3.409 8.589 1.00 0.37 H new ATOM 0 HA LEU A 56 7.112 4.304 6.044 1.00 0.38 H new ATOM 0 HB2 LEU A 56 6.484 6.574 6.749 1.00 0.45 H new ATOM 0 HB3 LEU A 56 5.107 5.540 6.424 1.00 0.45 H new ATOM 0 HG LEU A 56 5.638 5.297 9.194 1.00 0.58 H new ATOM 0 HD11 LEU A 56 5.456 7.632 9.941 1.00 1.48 H new ATOM 0 HD12 LEU A 56 6.972 7.336 9.056 1.00 1.48 H new ATOM 0 HD13 LEU A 56 5.625 8.180 8.256 1.00 1.48 H new ATOM 0 HD21 LEU A 56 3.423 6.347 9.399 1.00 1.53 H new ATOM 0 HD22 LEU A 56 3.502 6.839 7.691 1.00 1.53 H new ATOM 0 HD23 LEU A 56 3.454 5.112 8.119 1.00 1.53 H new ATOM 858 N VAL A 57 9.283 4.561 7.166 1.00 0.37 N ATOM 859 CA VAL A 57 10.593 4.738 7.779 1.00 0.42 C ATOM 860 C VAL A 57 11.440 5.666 6.935 1.00 0.44 C ATOM 861 O VAL A 57 11.738 5.349 5.800 1.00 0.43 O ATOM 862 CB VAL A 57 11.354 3.404 7.910 1.00 0.44 C ATOM 863 CG1 VAL A 57 12.650 3.612 8.679 1.00 0.53 C ATOM 864 CG2 VAL A 57 10.495 2.337 8.575 1.00 0.49 C ATOM 0 H VAL A 57 9.313 4.283 6.185 1.00 0.37 H new ATOM 0 HA VAL A 57 10.422 5.154 8.772 1.00 0.42 H new ATOM 0 HB VAL A 57 11.595 3.051 6.907 1.00 0.44 H new ATOM 0 HG11 VAL A 57 13.178 2.663 8.765 1.00 0.53 H new ATOM 0 HG12 VAL A 57 13.276 4.329 8.149 1.00 0.53 H new ATOM 0 HG13 VAL A 57 12.425 3.993 9.675 1.00 0.53 H new ATOM 0 HG21 VAL A 57 11.062 1.409 8.652 1.00 0.49 H new ATOM 0 HG22 VAL A 57 10.208 2.670 9.572 1.00 0.49 H new ATOM 0 HG23 VAL A 57 9.599 2.167 7.978 1.00 0.49 H new ATOM 874 N GLU A 58 11.819 6.805 7.491 1.00 0.53 N ATOM 875 CA GLU A 58 12.686 7.764 6.801 1.00 0.60 C ATOM 876 C GLU A 58 12.113 8.167 5.439 1.00 0.54 C ATOM 877 O GLU A 58 12.860 8.397 4.485 1.00 0.60 O ATOM 878 CB GLU A 58 14.089 7.174 6.602 1.00 0.71 C ATOM 879 CG GLU A 58 14.685 6.564 7.855 1.00 0.78 C ATOM 880 CD GLU A 58 16.156 6.259 7.701 1.00 1.12 C ATOM 881 OE1 GLU A 58 16.971 7.201 7.809 1.00 1.51 O ATOM 882 OE2 GLU A 58 16.510 5.081 7.492 1.00 1.50 O ATOM 0 H GLU A 58 11.540 7.096 8.428 1.00 0.53 H new ATOM 0 HA GLU A 58 12.745 8.653 7.429 1.00 0.60 H new ATOM 0 HB2 GLU A 58 14.044 6.411 5.825 1.00 0.71 H new ATOM 0 HB3 GLU A 58 14.754 7.958 6.241 1.00 0.71 H new ATOM 0 HG2 GLU A 58 14.544 7.248 8.692 1.00 0.78 H new ATOM 0 HG3 GLU A 58 14.150 5.646 8.100 1.00 0.78 H new ATOM 889 N GLY A 59 10.796 8.269 5.355 1.00 0.49 N ATOM 890 CA GLY A 59 10.166 8.614 4.097 1.00 0.49 C ATOM 891 C GLY A 59 9.919 7.407 3.208 1.00 0.45 C ATOM 892 O GLY A 59 9.463 7.552 2.073 1.00 0.51 O ATOM 0 H GLY A 59 10.153 8.120 6.133 1.00 0.49 H new ATOM 0 HA2 GLY A 59 9.217 9.112 4.296 1.00 0.49 H new ATOM 0 HA3 GLY A 59 10.795 9.328 3.565 1.00 0.49 H new ATOM 896 N ILE A 60 10.239 6.217 3.701 1.00 0.38 N ATOM 897 CA ILE A 60 9.950 4.995 2.967 1.00 0.35 C ATOM 898 C ILE A 60 8.649 4.381 3.436 1.00 0.31 C ATOM 899 O ILE A 60 8.307 4.468 4.608 1.00 0.32 O ATOM 900 CB ILE A 60 10.998 3.916 3.146 1.00 0.35 C ATOM 901 CG1 ILE A 60 12.383 4.504 3.179 1.00 0.43 C ATOM 902 CG2 ILE A 60 10.866 2.927 2.007 1.00 0.38 C ATOM 903 CD1 ILE A 60 13.419 3.478 3.473 1.00 0.49 C ATOM 0 H ILE A 60 10.696 6.074 4.601 1.00 0.38 H new ATOM 0 HA ILE A 60 9.916 5.306 1.923 1.00 0.35 H new ATOM 0 HB ILE A 60 10.839 3.411 4.099 1.00 0.35 H new ATOM 0 HG12 ILE A 60 12.600 4.973 2.220 1.00 0.43 H new ATOM 0 HG13 ILE A 60 12.426 5.289 3.935 1.00 0.43 H new ATOM 0 HG21 ILE A 60 11.613 2.141 2.119 1.00 0.38 H new ATOM 0 HG22 ILE A 60 9.870 2.485 2.023 1.00 0.38 H new ATOM 0 HG23 ILE A 60 11.020 3.442 1.059 1.00 0.38 H new ATOM 0 HD11 ILE A 60 14.403 3.948 3.487 1.00 0.49 H new ATOM 0 HD12 ILE A 60 13.219 3.027 4.445 1.00 0.49 H new ATOM 0 HD13 ILE A 60 13.396 2.707 2.703 1.00 0.49 H new ATOM 915 N LEU A 61 7.942 3.758 2.525 1.00 0.31 N ATOM 916 CA LEU A 61 6.801 2.936 2.873 1.00 0.31 C ATOM 917 C LEU A 61 7.243 1.471 2.758 1.00 0.31 C ATOM 918 O LEU A 61 7.656 1.039 1.682 1.00 0.35 O ATOM 919 CB LEU A 61 5.628 3.253 1.941 1.00 0.37 C ATOM 920 CG LEU A 61 4.245 3.230 2.589 1.00 0.69 C ATOM 921 CD1 LEU A 61 4.165 4.239 3.725 1.00 0.94 C ATOM 922 CD2 LEU A 61 3.176 3.513 1.548 1.00 1.07 C ATOM 0 H LEU A 61 8.137 3.804 1.525 1.00 0.31 H new ATOM 0 HA LEU A 61 6.460 3.134 3.889 1.00 0.31 H new ATOM 0 HB2 LEU A 61 5.789 4.239 1.506 1.00 0.37 H new ATOM 0 HB3 LEU A 61 5.636 2.537 1.119 1.00 0.37 H new ATOM 0 HG LEU A 61 4.074 2.237 3.006 1.00 0.69 H new ATOM 0 HD11 LEU A 61 3.171 4.206 4.172 1.00 0.94 H new ATOM 0 HD12 LEU A 61 4.912 3.996 4.481 1.00 0.94 H new ATOM 0 HD13 LEU A 61 4.355 5.240 3.337 1.00 0.94 H new ATOM 0 HD21 LEU A 61 2.194 3.494 2.021 1.00 1.07 H new ATOM 0 HD22 LEU A 61 3.348 4.495 1.108 1.00 1.07 H new ATOM 0 HD23 LEU A 61 3.218 2.753 0.768 1.00 1.07 H new ATOM 934 N HIS A 62 7.219 0.715 3.854 1.00 0.33 N ATOM 935 CA HIS A 62 7.845 -0.595 3.849 1.00 0.38 C ATOM 936 C HIS A 62 6.841 -1.717 4.064 1.00 0.40 C ATOM 937 O HIS A 62 5.941 -1.622 4.911 1.00 0.38 O ATOM 938 CB HIS A 62 8.948 -0.672 4.905 1.00 0.48 C ATOM 939 CG HIS A 62 10.106 -1.517 4.474 1.00 0.63 C ATOM 940 ND1 HIS A 62 10.125 -2.890 4.574 1.00 1.41 N ATOM 941 CD2 HIS A 62 11.282 -1.169 3.908 1.00 1.33 C ATOM 942 CE1 HIS A 62 11.262 -3.347 4.087 1.00 1.50 C ATOM 943 NE2 HIS A 62 11.983 -2.325 3.675 1.00 1.43 N ATOM 0 H HIS A 62 6.782 0.983 4.736 1.00 0.33 H new ATOM 0 HA HIS A 62 8.283 -0.730 2.860 1.00 0.38 H new ATOM 0 HB2 HIS A 62 9.302 0.335 5.128 1.00 0.48 H new ATOM 0 HB3 HIS A 62 8.533 -1.076 5.828 1.00 0.48 H new ATOM 0 HD2 HIS A 62 11.610 -0.165 3.681 1.00 1.33 H new ATOM 0 HE1 HIS A 62 11.553 -4.386 4.035 1.00 1.50 H new ATOM 0 HE2 HIS A 62 12.910 -2.383 3.252 1.00 1.43 H new ATOM 952 N ALA A 63 7.017 -2.772 3.280 1.00 0.54 N ATOM 953 CA ALA A 63 6.254 -3.988 3.395 1.00 0.58 C ATOM 954 C ALA A 63 7.070 -5.047 4.145 1.00 0.68 C ATOM 955 O ALA A 63 8.278 -4.890 4.317 1.00 0.83 O ATOM 956 CB ALA A 63 5.896 -4.465 2.001 1.00 0.72 C ATOM 0 H ALA A 63 7.711 -2.798 2.533 1.00 0.54 H new ATOM 0 HA ALA A 63 5.339 -3.810 3.960 1.00 0.58 H new ATOM 0 HB1 ALA A 63 5.317 -5.386 2.069 1.00 0.72 H new ATOM 0 HB2 ALA A 63 5.305 -3.701 1.496 1.00 0.72 H new ATOM 0 HB3 ALA A 63 6.808 -4.651 1.435 1.00 0.72 H new ATOM 962 N PRO A 64 6.414 -6.116 4.637 1.00 0.81 N ATOM 963 CA PRO A 64 7.075 -7.230 5.324 1.00 1.14 C ATOM 964 C PRO A 64 8.106 -7.910 4.435 1.00 1.27 C ATOM 965 O PRO A 64 8.135 -7.674 3.228 1.00 1.16 O ATOM 966 CB PRO A 64 5.933 -8.195 5.661 1.00 1.29 C ATOM 967 CG PRO A 64 4.715 -7.349 5.612 1.00 1.16 C ATOM 968 CD PRO A 64 4.977 -6.372 4.509 1.00 0.81 C ATOM 0 HA PRO A 64 7.623 -6.895 6.205 1.00 1.14 H new ATOM 0 HB2 PRO A 64 5.878 -9.014 4.943 1.00 1.29 H new ATOM 0 HB3 PRO A 64 6.067 -8.643 6.646 1.00 1.29 H new ATOM 0 HG2 PRO A 64 3.826 -7.946 5.410 1.00 1.16 H new ATOM 0 HG3 PRO A 64 4.548 -6.840 6.561 1.00 1.16 H new ATOM 0 HD2 PRO A 64 4.725 -6.787 3.533 1.00 0.81 H new ATOM 0 HD3 PRO A 64 4.391 -5.460 4.628 1.00 0.81 H new ATOM 976 N ASP A 65 8.935 -8.754 5.045 1.00 1.69 N ATOM 977 CA ASP A 65 10.079 -9.389 4.378 1.00 2.00 C ATOM 978 C ASP A 65 9.747 -9.869 2.982 1.00 1.88 C ATOM 979 O ASP A 65 10.519 -9.689 2.041 1.00 2.05 O ATOM 980 CB ASP A 65 10.482 -10.630 5.168 1.00 2.48 C ATOM 981 CG ASP A 65 11.607 -10.383 6.151 1.00 2.81 C ATOM 982 OD1 ASP A 65 11.319 -10.194 7.352 1.00 2.88 O ATOM 983 OD2 ASP A 65 12.782 -10.393 5.734 1.00 3.12 O ATOM 0 H ASP A 65 8.834 -9.021 6.024 1.00 1.69 H new ATOM 0 HA ASP A 65 10.868 -8.639 4.325 1.00 2.00 H new ATOM 0 HB2 ASP A 65 9.613 -11.004 5.709 1.00 2.48 H new ATOM 0 HB3 ASP A 65 10.784 -11.412 4.471 1.00 2.48 H new ATOM 988 N ALA A 66 8.602 -10.490 2.866 1.00 1.72 N ATOM 989 CA ALA A 66 8.198 -11.113 1.634 1.00 1.72 C ATOM 990 C ALA A 66 6.913 -10.505 1.117 1.00 1.60 C ATOM 991 O ALA A 66 6.595 -10.611 -0.068 1.00 2.08 O ATOM 992 CB ALA A 66 7.995 -12.572 1.899 1.00 2.14 C ATOM 0 H ALA A 66 7.924 -10.578 3.623 1.00 1.72 H new ATOM 0 HA ALA A 66 8.968 -10.960 0.878 1.00 1.72 H new ATOM 0 HB1 ALA A 66 7.687 -13.070 0.979 1.00 2.14 H new ATOM 0 HB2 ALA A 66 8.928 -13.010 2.254 1.00 2.14 H new ATOM 0 HB3 ALA A 66 7.222 -12.700 2.657 1.00 2.14 H new ATOM 998 N GLY A 67 6.165 -9.873 2.011 1.00 1.28 N ATOM 999 CA GLY A 67 4.897 -9.365 1.629 1.00 1.56 C ATOM 1000 C GLY A 67 3.814 -10.404 1.717 1.00 1.12 C ATOM 1001 O GLY A 67 4.066 -11.604 1.637 1.00 1.42 O ATOM 0 H GLY A 67 6.426 -9.712 2.984 1.00 1.28 H new ATOM 0 HA2 GLY A 67 4.639 -8.520 2.268 1.00 1.56 H new ATOM 0 HA3 GLY A 67 4.952 -8.987 0.608 1.00 1.56 H new ATOM 1005 N TRP A 68 2.614 -9.928 1.915 1.00 0.81 N ATOM 1006 CA TRP A 68 1.425 -10.730 1.807 1.00 0.98 C ATOM 1007 C TRP A 68 1.210 -11.026 0.341 1.00 1.13 C ATOM 1008 O TRP A 68 1.015 -12.167 -0.085 1.00 1.83 O ATOM 1009 CB TRP A 68 0.254 -9.915 2.335 1.00 1.31 C ATOM 1010 CG TRP A 68 0.681 -8.808 3.247 1.00 1.41 C ATOM 1011 CD1 TRP A 68 0.706 -8.842 4.599 1.00 1.54 C ATOM 1012 CD2 TRP A 68 1.163 -7.505 2.868 1.00 1.97 C ATOM 1013 NE1 TRP A 68 1.168 -7.651 5.087 1.00 1.59 N ATOM 1014 CE2 TRP A 68 1.445 -6.812 4.051 1.00 2.00 C ATOM 1015 CE3 TRP A 68 1.381 -6.857 1.645 1.00 2.82 C ATOM 1016 CZ2 TRP A 68 1.927 -5.505 4.058 1.00 2.75 C ATOM 1017 CZ3 TRP A 68 1.861 -5.565 1.652 1.00 3.69 C ATOM 1018 CH2 TRP A 68 2.125 -4.897 2.851 1.00 3.62 C ATOM 0 H TRP A 68 2.432 -8.955 2.160 1.00 0.81 H new ATOM 0 HA TRP A 68 1.513 -11.657 2.373 1.00 0.98 H new ATOM 0 HB2 TRP A 68 -0.298 -9.494 1.495 1.00 1.31 H new ATOM 0 HB3 TRP A 68 -0.431 -10.575 2.868 1.00 1.31 H new ATOM 0 HD1 TRP A 68 0.406 -9.685 5.204 1.00 1.54 H new ATOM 0 HE1 TRP A 68 1.287 -7.426 6.075 1.00 1.59 H new ATOM 0 HE3 TRP A 68 1.176 -7.362 0.712 1.00 2.82 H new ATOM 0 HZ2 TRP A 68 2.137 -4.991 4.984 1.00 2.75 H new ATOM 0 HZ3 TRP A 68 2.036 -5.060 0.714 1.00 3.69 H new ATOM 0 HH2 TRP A 68 2.492 -3.882 2.823 1.00 3.62 H new ATOM 1029 N GLY A 69 1.268 -9.948 -0.410 1.00 0.79 N ATOM 1030 CA GLY A 69 1.187 -9.997 -1.832 1.00 1.13 C ATOM 1031 C GLY A 69 1.089 -8.612 -2.394 1.00 1.01 C ATOM 1032 O GLY A 69 2.087 -8.005 -2.761 1.00 1.78 O ATOM 0 H GLY A 69 1.374 -9.006 -0.034 1.00 0.79 H new ATOM 0 HA2 GLY A 69 2.066 -10.500 -2.236 1.00 1.13 H new ATOM 0 HA3 GLY A 69 0.318 -10.582 -2.134 1.00 1.13 H new ATOM 1036 N ASN A 70 -0.120 -8.095 -2.366 1.00 0.53 N ATOM 1037 CA ASN A 70 -0.445 -6.822 -2.964 1.00 0.40 C ATOM 1038 C ASN A 70 -1.517 -6.154 -2.158 1.00 0.60 C ATOM 1039 O ASN A 70 -1.277 -5.105 -1.565 1.00 1.48 O ATOM 1040 CB ASN A 70 -0.895 -6.976 -4.416 1.00 0.55 C ATOM 1041 CG ASN A 70 -1.686 -8.237 -4.717 1.00 0.70 C ATOM 1042 OD1 ASN A 70 -2.372 -8.796 -3.854 1.00 1.24 O ATOM 1043 ND2 ASN A 70 -1.612 -8.678 -5.959 1.00 0.75 N ATOM 0 H ASN A 70 -0.914 -8.555 -1.921 1.00 0.53 H new ATOM 0 HA ASN A 70 0.455 -6.207 -2.966 1.00 0.40 H new ATOM 0 HB2 ASN A 70 -1.503 -6.112 -4.685 1.00 0.55 H new ATOM 0 HB3 ASN A 70 -0.013 -6.957 -5.057 1.00 0.55 H new ATOM 0 HD21 ASN A 70 -2.133 -9.510 -6.237 1.00 0.75 H new ATOM 0 HD22 ASN A 70 -1.034 -8.187 -6.641 1.00 0.75 H new ATOM 1050 N LEU A 71 -2.676 -6.809 -2.086 1.00 0.45 N ATOM 1051 CA LEU A 71 -3.833 -6.303 -1.398 1.00 0.40 C ATOM 1052 C LEU A 71 -4.218 -4.970 -1.918 1.00 0.36 C ATOM 1053 O LEU A 71 -3.465 -4.309 -2.613 1.00 0.43 O ATOM 1054 CB LEU A 71 -3.591 -6.162 0.080 1.00 0.39 C ATOM 1055 CG LEU A 71 -3.048 -7.400 0.823 1.00 0.50 C ATOM 1056 CD1 LEU A 71 -3.870 -8.636 0.495 1.00 0.90 C ATOM 1057 CD2 LEU A 71 -1.583 -7.641 0.524 1.00 0.84 C ATOM 0 H LEU A 71 -2.826 -7.722 -2.517 1.00 0.45 H new ATOM 0 HA LEU A 71 -4.629 -7.027 -1.571 1.00 0.40 H new ATOM 0 HB2 LEU A 71 -2.889 -5.342 0.231 1.00 0.39 H new ATOM 0 HB3 LEU A 71 -4.530 -5.870 0.550 1.00 0.39 H new ATOM 0 HG LEU A 71 -3.137 -7.198 1.890 1.00 0.50 H new ATOM 0 HD11 LEU A 71 -3.466 -9.494 1.032 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -4.905 -8.475 0.795 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -3.829 -8.826 -0.577 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -1.241 -8.522 1.067 1.00 0.84 H new ATOM 0 HD22 LEU A 71 -1.452 -7.801 -0.546 1.00 0.84 H new ATOM 0 HD23 LEU A 71 -1.001 -6.774 0.836 1.00 0.84 H new ATOM 1069 N VAL A 72 -5.389 -4.571 -1.542 1.00 0.36 N ATOM 1070 CA VAL A 72 -5.922 -3.330 -2.011 1.00 0.38 C ATOM 1071 C VAL A 72 -5.745 -2.268 -0.944 1.00 0.31 C ATOM 1072 O VAL A 72 -6.408 -2.285 0.095 1.00 0.31 O ATOM 1073 CB VAL A 72 -7.382 -3.521 -2.381 1.00 0.49 C ATOM 1074 CG1 VAL A 72 -8.044 -4.324 -1.284 1.00 0.73 C ATOM 1075 CG2 VAL A 72 -8.050 -2.181 -2.604 1.00 0.82 C ATOM 0 H VAL A 72 -5.999 -5.088 -0.908 1.00 0.36 H new ATOM 0 HA VAL A 72 -5.388 -2.999 -2.902 1.00 0.38 H new ATOM 0 HB VAL A 72 -7.476 -4.069 -3.319 1.00 0.49 H new ATOM 0 HG11 VAL A 72 -9.096 -4.475 -1.527 1.00 0.73 H new ATOM 0 HG12 VAL A 72 -7.550 -5.292 -1.193 1.00 0.73 H new ATOM 0 HG13 VAL A 72 -7.964 -3.785 -0.340 1.00 0.73 H new ATOM 0 HG21 VAL A 72 -9.096 -2.335 -2.868 1.00 0.82 H new ATOM 0 HG22 VAL A 72 -7.990 -1.588 -1.691 1.00 0.82 H new ATOM 0 HG23 VAL A 72 -7.545 -1.653 -3.413 1.00 0.82 H new ATOM 1085 N TYR A 73 -4.820 -1.370 -1.199 1.00 0.29 N ATOM 1086 CA TYR A 73 -4.542 -0.295 -0.267 1.00 0.26 C ATOM 1087 C TYR A 73 -5.590 0.803 -0.334 1.00 0.27 C ATOM 1088 O TYR A 73 -6.127 1.116 -1.394 1.00 0.30 O ATOM 1089 CB TYR A 73 -3.171 0.294 -0.551 1.00 0.28 C ATOM 1090 CG TYR A 73 -2.063 -0.722 -0.486 1.00 0.28 C ATOM 1091 CD1 TYR A 73 -0.950 -0.615 -1.298 1.00 0.33 C ATOM 1092 CD2 TYR A 73 -2.131 -1.783 0.400 1.00 0.27 C ATOM 1093 CE1 TYR A 73 0.068 -1.535 -1.225 1.00 0.36 C ATOM 1094 CE2 TYR A 73 -1.118 -2.711 0.478 1.00 0.32 C ATOM 1095 CZ TYR A 73 -0.018 -2.580 -0.338 1.00 0.36 C ATOM 1096 OH TYR A 73 0.994 -3.502 -0.272 1.00 0.42 O ATOM 0 H TYR A 73 -4.247 -1.361 -2.043 1.00 0.29 H new ATOM 0 HA TYR A 73 -4.566 -0.719 0.737 1.00 0.26 H new ATOM 0 HB2 TYR A 73 -3.177 0.752 -1.540 1.00 0.28 H new ATOM 0 HB3 TYR A 73 -2.969 1.089 0.167 1.00 0.28 H new ATOM 0 HD1 TYR A 73 -0.879 0.203 -2.000 1.00 0.33 H new ATOM 0 HD2 TYR A 73 -2.994 -1.884 1.041 1.00 0.27 H new ATOM 0 HE1 TYR A 73 0.933 -1.437 -1.863 1.00 0.36 H new ATOM 0 HE2 TYR A 73 -1.186 -3.535 1.173 1.00 0.32 H new ATOM 0 HH TYR A 73 0.891 -4.043 0.539 1.00 0.42 H new ATOM 1106 N VAL A 74 -5.889 1.324 0.846 1.00 0.26 N ATOM 1107 CA VAL A 74 -6.936 2.284 1.085 1.00 0.26 C ATOM 1108 C VAL A 74 -6.339 3.658 1.452 1.00 0.33 C ATOM 1109 O VAL A 74 -5.156 3.750 1.795 1.00 0.34 O ATOM 1110 CB VAL A 74 -7.825 1.700 2.203 1.00 0.23 C ATOM 1111 CG1 VAL A 74 -8.593 2.762 2.964 1.00 0.30 C ATOM 1112 CG2 VAL A 74 -8.771 0.679 1.619 1.00 0.26 C ATOM 0 H VAL A 74 -5.382 1.073 1.695 1.00 0.26 H new ATOM 0 HA VAL A 74 -7.538 2.457 0.193 1.00 0.26 H new ATOM 0 HB VAL A 74 -7.164 1.222 2.926 1.00 0.23 H new ATOM 0 HG11 VAL A 74 -9.200 2.289 3.736 1.00 0.30 H new ATOM 0 HG12 VAL A 74 -7.892 3.456 3.427 1.00 0.30 H new ATOM 0 HG13 VAL A 74 -9.241 3.306 2.276 1.00 0.30 H new ATOM 0 HG21 VAL A 74 -9.397 0.268 2.411 1.00 0.26 H new ATOM 0 HG22 VAL A 74 -9.401 1.155 0.868 1.00 0.26 H new ATOM 0 HG23 VAL A 74 -8.198 -0.125 1.156 1.00 0.26 H new ATOM 1122 N VAL A 75 -7.179 4.695 1.452 1.00 0.44 N ATOM 1123 CA VAL A 75 -6.720 6.077 1.431 1.00 0.59 C ATOM 1124 C VAL A 75 -6.726 6.718 2.813 1.00 0.59 C ATOM 1125 O VAL A 75 -7.783 7.016 3.375 1.00 0.80 O ATOM 1126 CB VAL A 75 -7.584 6.937 0.479 1.00 0.95 C ATOM 1127 CG1 VAL A 75 -9.036 6.815 0.856 1.00 1.84 C ATOM 1128 CG2 VAL A 75 -7.152 8.383 0.504 1.00 1.70 C ATOM 0 H VAL A 75 -8.194 4.596 1.467 1.00 0.44 H new ATOM 0 HA VAL A 75 -5.691 6.044 1.072 1.00 0.59 H new ATOM 0 HB VAL A 75 -7.446 6.567 -0.537 1.00 0.95 H new ATOM 0 HG11 VAL A 75 -9.639 7.423 0.182 1.00 1.84 H new ATOM 0 HG12 VAL A 75 -9.345 5.773 0.780 1.00 1.84 H new ATOM 0 HG13 VAL A 75 -9.176 7.161 1.880 1.00 1.84 H new ATOM 0 HG21 VAL A 75 -7.778 8.962 -0.175 1.00 1.70 H new ATOM 0 HG22 VAL A 75 -7.254 8.776 1.516 1.00 1.70 H new ATOM 0 HG23 VAL A 75 -6.111 8.457 0.190 1.00 1.70 H new ATOM 1138 N ASN A 76 -5.564 6.883 3.413 1.00 0.48 N ATOM 1139 CA ASN A 76 -5.485 7.793 4.539 1.00 0.54 C ATOM 1140 C ASN A 76 -4.327 8.772 4.386 1.00 0.48 C ATOM 1141 O ASN A 76 -3.192 8.374 4.232 1.00 0.45 O ATOM 1142 CB ASN A 76 -5.419 7.041 5.892 1.00 0.67 C ATOM 1143 CG ASN A 76 -4.766 5.676 5.857 1.00 0.97 C ATOM 1144 OD1 ASN A 76 -4.860 4.938 4.883 1.00 1.88 O ATOM 1145 ND2 ASN A 76 -4.107 5.321 6.949 1.00 1.31 N ATOM 0 H ASN A 76 -4.693 6.420 3.154 1.00 0.48 H new ATOM 0 HA ASN A 76 -6.408 8.374 4.544 1.00 0.54 H new ATOM 0 HB2 ASN A 76 -4.879 7.663 6.606 1.00 0.67 H new ATOM 0 HB3 ASN A 76 -6.434 6.927 6.273 1.00 0.67 H new ATOM 0 HD21 ASN A 76 -3.657 4.407 6.998 1.00 1.31 H new ATOM 0 HD22 ASN A 76 -4.050 5.961 7.741 1.00 1.31 H new ATOM 1152 N TYR A 77 -4.622 10.061 4.457 1.00 0.55 N ATOM 1153 CA TYR A 77 -3.605 11.086 4.606 1.00 0.56 C ATOM 1154 C TYR A 77 -4.155 12.231 5.445 1.00 0.68 C ATOM 1155 O TYR A 77 -4.184 12.095 6.683 1.00 1.36 O ATOM 1156 CB TYR A 77 -3.086 11.604 3.272 1.00 0.55 C ATOM 1157 CG TYR A 77 -4.092 11.673 2.147 1.00 0.58 C ATOM 1158 CD1 TYR A 77 -4.185 10.634 1.245 1.00 0.52 C ATOM 1159 CD2 TYR A 77 -4.915 12.775 1.967 1.00 0.70 C ATOM 1160 CE1 TYR A 77 -5.062 10.674 0.188 1.00 0.58 C ATOM 1161 CE2 TYR A 77 -5.808 12.828 0.915 1.00 0.76 C ATOM 1162 CZ TYR A 77 -5.875 11.777 0.026 1.00 0.70 C ATOM 1163 OH TYR A 77 -6.750 11.838 -1.028 1.00 0.79 O ATOM 1164 OXT TYR A 77 -4.586 13.250 4.872 1.00 1.18 O ATOM 0 H TYR A 77 -5.574 10.424 4.413 1.00 0.55 H new ATOM 0 HA TYR A 77 -2.754 10.630 5.111 1.00 0.56 H new ATOM 0 HB2 TYR A 77 -2.677 12.602 3.428 1.00 0.55 H new ATOM 0 HB3 TYR A 77 -2.260 10.967 2.955 1.00 0.55 H new ATOM 0 HD1 TYR A 77 -3.553 9.768 1.373 1.00 0.52 H new ATOM 0 HD2 TYR A 77 -4.857 13.602 2.659 1.00 0.70 H new ATOM 0 HE1 TYR A 77 -5.114 9.851 -0.509 1.00 0.58 H new ATOM 0 HE2 TYR A 77 -6.450 13.688 0.790 1.00 0.76 H new ATOM 0 HH TYR A 77 -6.998 10.930 -1.300 1.00 0.79 H new