USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 644 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 16 HIS : no HD1:sc= -0.0223 X(o=0.15,f=0.18) USER MOD Set 1.2: A 89 THR OG1 : rot 35:sc= 0.17 USER MOD Set 2.1: A 76 GLN :FLIP amide:sc= 0.859 F(o=2.7,f=4.1) USER MOD Set 2.2: A 83 CYS SG : rot 76:sc= 1.87 USER MOD Set 2.3: A 85 TYR OH : rot 117:sc= 1.34 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 159:sc= 0.911 (180deg=0.0125) USER MOD Set 3.2: A 70 SER OG : rot -100:sc= 0.288 USER MOD Single : A 5 HIS : no HD1:sc=-0.00433 K(o=0.0017,f=-0.87) USER MOD Single : A 12 HIS : no HE2:sc= -0.164 K(o=-0.16,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -44:sc= 0.311 USER MOD Single : A 22 CYS SG : rot -30:sc= 1.35 USER MOD Single : A 24 MET CE :methyl -163:sc= -0.081 (180deg=-0.459) USER MOD Single : A 27 CYS SG : rot 25:sc= 0.346 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 48 SER OG : rot 91:sc= 0.388 USER MOD Single : A 55 ASN : amide:sc= -0.6 K(o=-0.6,f=-8.3!) USER MOD Single : A 59 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.48) USER MOD Single : A 67 THR OG1 : rot 140:sc= -0.312 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0466 F(o=-0.86,f=-0.047) USER MOD Single : A 77 CYS SG : rot -78:sc= -1.85! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -10.745 -12.949 -2.198 1.00 43.12 N ATOM 51 CA VAL A 4 -9.634 -11.993 -2.300 1.00 71.12 C ATOM 52 C VAL A 4 -9.627 -11.052 -1.055 1.00 1.22 C ATOM 53 O VAL A 4 -10.259 -9.985 -1.028 1.00 75.31 O ATOM 54 CB VAL A 4 -9.683 -11.190 -3.659 1.00 41.23 C ATOM 55 CG1 VAL A 4 -11.050 -10.496 -3.906 1.00 52.13 C ATOM 56 CG2 VAL A 4 -8.522 -10.187 -3.741 1.00 23.02 C ATOM 0 HA VAL A 4 -8.695 -12.546 -2.308 1.00 71.12 H new ATOM 0 HB VAL A 4 -9.567 -11.920 -4.460 1.00 41.23 H new ATOM 0 HG11 VAL A 4 -11.020 -9.961 -4.855 1.00 52.13 H new ATOM 0 HG12 VAL A 4 -11.839 -11.247 -3.938 1.00 52.13 H new ATOM 0 HG13 VAL A 4 -11.252 -9.792 -3.099 1.00 52.13 H new ATOM 0 HG21 VAL A 4 -8.575 -9.645 -4.685 1.00 23.02 H new ATOM 0 HG22 VAL A 4 -8.592 -9.481 -2.913 1.00 23.02 H new ATOM 0 HG23 VAL A 4 -7.574 -10.722 -3.683 1.00 23.02 H new ATOM 66 N HIS A 5 -8.954 -11.501 0.014 1.00 64.25 N ATOM 67 CA HIS A 5 -8.836 -10.731 1.272 1.00 74.13 C ATOM 68 C HIS A 5 -7.390 -10.204 1.453 1.00 34.01 C ATOM 69 O HIS A 5 -6.435 -10.847 1.020 1.00 21.34 O ATOM 70 CB HIS A 5 -9.255 -11.616 2.480 1.00 42.15 C ATOM 71 CG HIS A 5 -9.470 -10.847 3.753 1.00 33.31 C ATOM 72 ND1 HIS A 5 -8.473 -10.597 4.671 1.00 15.54 N ATOM 73 CD2 HIS A 5 -10.578 -10.254 4.246 1.00 14.11 C ATOM 74 CE1 HIS A 5 -8.960 -9.887 5.665 1.00 71.43 C ATOM 75 NE2 HIS A 5 -10.231 -9.666 5.430 1.00 54.44 N ATOM 0 H HIS A 5 -8.477 -12.402 0.037 1.00 64.25 H new ATOM 0 HA HIS A 5 -9.505 -9.872 1.222 1.00 74.13 H new ATOM 0 HB2 HIS A 5 -10.173 -12.146 2.228 1.00 42.15 H new ATOM 0 HB3 HIS A 5 -8.487 -12.371 2.648 1.00 42.15 H new ATOM 0 HD2 HIS A 5 -11.557 -10.246 3.790 1.00 14.11 H new ATOM 0 HE1 HIS A 5 -8.408 -9.544 6.527 1.00 71.43 H new ATOM 0 HE2 HIS A 5 -10.861 -9.139 6.035 1.00 54.44 H new ATOM 84 N ILE A 6 -7.243 -9.032 2.091 1.00 50.22 N ATOM 85 CA ILE A 6 -5.919 -8.450 2.409 1.00 34.53 C ATOM 86 C ILE A 6 -5.264 -9.234 3.593 1.00 64.15 C ATOM 87 O ILE A 6 -5.820 -9.279 4.696 1.00 51.20 O ATOM 88 CB ILE A 6 -6.032 -6.893 2.739 1.00 12.52 C ATOM 89 CG1 ILE A 6 -6.295 -6.023 1.454 1.00 24.40 C ATOM 90 CG2 ILE A 6 -4.783 -6.366 3.478 1.00 64.53 C ATOM 91 CD1 ILE A 6 -7.640 -6.215 0.778 1.00 63.42 C ATOM 0 H ILE A 6 -8.029 -8.461 2.401 1.00 50.22 H new ATOM 0 HA ILE A 6 -5.279 -8.545 1.532 1.00 34.53 H new ATOM 0 HB ILE A 6 -6.895 -6.794 3.398 1.00 12.52 H new ATOM 0 HG12 ILE A 6 -6.195 -4.972 1.726 1.00 24.40 H new ATOM 0 HG13 ILE A 6 -5.512 -6.240 0.727 1.00 24.40 H new ATOM 0 HG21 ILE A 6 -4.903 -5.302 3.683 1.00 64.53 H new ATOM 0 HG22 ILE A 6 -4.662 -6.905 4.418 1.00 64.53 H new ATOM 0 HG23 ILE A 6 -3.901 -6.519 2.856 1.00 64.53 H new ATOM 0 HD11 ILE A 6 -7.705 -5.564 -0.094 1.00 63.42 H new ATOM 0 HD12 ILE A 6 -7.744 -7.254 0.464 1.00 63.42 H new ATOM 0 HD13 ILE A 6 -8.438 -5.966 1.478 1.00 63.42 H new ATOM 103 N VAL A 7 -4.114 -9.895 3.337 1.00 51.42 N ATOM 104 CA VAL A 7 -3.323 -10.590 4.395 1.00 43.14 C ATOM 105 C VAL A 7 -2.298 -9.630 5.057 1.00 5.35 C ATOM 106 O VAL A 7 -1.847 -9.864 6.186 1.00 2.51 O ATOM 107 CB VAL A 7 -2.574 -11.870 3.839 1.00 3.10 C ATOM 108 CG1 VAL A 7 -3.580 -12.959 3.392 1.00 13.43 C ATOM 109 CG2 VAL A 7 -1.582 -11.513 2.695 1.00 72.41 C ATOM 0 H VAL A 7 -3.705 -9.966 2.405 1.00 51.42 H new ATOM 0 HA VAL A 7 -4.040 -10.918 5.148 1.00 43.14 H new ATOM 0 HB VAL A 7 -1.983 -12.278 4.659 1.00 3.10 H new ATOM 0 HG11 VAL A 7 -3.035 -13.825 3.015 1.00 13.43 H new ATOM 0 HG12 VAL A 7 -4.194 -13.258 4.242 1.00 13.43 H new ATOM 0 HG13 VAL A 7 -4.220 -12.562 2.604 1.00 13.43 H new ATOM 0 HG21 VAL A 7 -1.090 -12.420 2.343 1.00 72.41 H new ATOM 0 HG22 VAL A 7 -2.127 -11.053 1.871 1.00 72.41 H new ATOM 0 HG23 VAL A 7 -0.832 -10.815 3.068 1.00 72.41 H new ATOM 119 N ASP A 8 -1.940 -8.558 4.335 1.00 1.02 N ATOM 120 CA ASP A 8 -0.983 -7.537 4.789 1.00 63.42 C ATOM 121 C ASP A 8 -1.357 -6.159 4.165 1.00 41.42 C ATOM 122 O ASP A 8 -1.597 -6.091 2.965 1.00 3.10 O ATOM 123 CB ASP A 8 0.452 -7.947 4.392 1.00 74.32 C ATOM 124 CG ASP A 8 1.500 -6.947 4.888 1.00 60.11 C ATOM 125 OD1 ASP A 8 1.790 -6.940 6.106 1.00 24.14 O ATOM 126 OD2 ASP A 8 2.003 -6.137 4.079 1.00 51.53 O ATOM 0 H ASP A 8 -2.313 -8.373 3.404 1.00 1.02 H new ATOM 0 HA ASP A 8 -1.027 -7.453 5.875 1.00 63.42 H new ATOM 0 HB2 ASP A 8 0.672 -8.933 4.801 1.00 74.32 H new ATOM 0 HB3 ASP A 8 0.517 -8.030 3.307 1.00 74.32 H new ATOM 131 N PRO A 9 -1.490 -5.048 4.963 1.00 22.41 N ATOM 132 CA PRO A 9 -1.403 -5.061 6.445 1.00 14.22 C ATOM 133 C PRO A 9 -2.654 -5.695 7.113 1.00 13.45 C ATOM 134 O PRO A 9 -3.773 -5.616 6.591 1.00 64.55 O ATOM 135 CB PRO A 9 -1.268 -3.566 6.799 1.00 24.24 C ATOM 136 CG PRO A 9 -1.997 -2.859 5.699 1.00 72.41 C ATOM 137 CD PRO A 9 -1.725 -3.671 4.449 1.00 14.41 C ATOM 0 HA PRO A 9 -0.574 -5.670 6.807 1.00 14.22 H new ATOM 0 HB2 PRO A 9 -1.707 -3.346 7.772 1.00 24.24 H new ATOM 0 HB3 PRO A 9 -0.223 -3.261 6.844 1.00 24.24 H new ATOM 0 HG2 PRO A 9 -3.066 -2.805 5.907 1.00 72.41 H new ATOM 0 HG3 PRO A 9 -1.642 -1.835 5.587 1.00 72.41 H new ATOM 0 HD2 PRO A 9 -2.569 -3.640 3.760 1.00 14.41 H new ATOM 0 HD3 PRO A 9 -0.858 -3.293 3.907 1.00 14.41 H new ATOM 145 N ARG A 10 -2.429 -6.325 8.274 1.00 21.44 N ATOM 146 CA ARG A 10 -3.478 -7.043 9.034 1.00 53.42 C ATOM 147 C ARG A 10 -4.406 -6.043 9.765 1.00 43.45 C ATOM 148 O ARG A 10 -5.562 -6.353 10.071 1.00 33.43 O ATOM 149 CB ARG A 10 -2.835 -8.037 10.054 1.00 41.42 C ATOM 150 CG ARG A 10 -1.912 -9.135 9.447 1.00 51.33 C ATOM 151 CD ARG A 10 -0.509 -8.622 9.040 1.00 45.41 C ATOM 152 NE ARG A 10 0.243 -8.099 10.196 1.00 54.21 N ATOM 153 CZ ARG A 10 1.382 -7.448 10.146 1.00 74.01 C ATOM 154 NH1 ARG A 10 1.943 -7.120 9.019 1.00 4.24 N ATOM 155 NH2 ARG A 10 1.949 -7.097 11.251 1.00 14.42 N ATOM 0 H ARG A 10 -1.512 -6.355 8.720 1.00 21.44 H new ATOM 0 HA ARG A 10 -4.079 -7.615 8.327 1.00 53.42 H new ATOM 0 HB2 ARG A 10 -2.256 -7.462 10.776 1.00 41.42 H new ATOM 0 HB3 ARG A 10 -3.636 -8.528 10.607 1.00 41.42 H new ATOM 0 HG2 ARG A 10 -1.797 -9.941 10.172 1.00 51.33 H new ATOM 0 HG3 ARG A 10 -2.400 -9.562 8.571 1.00 51.33 H new ATOM 0 HD2 ARG A 10 0.054 -9.433 8.578 1.00 45.41 H new ATOM 0 HD3 ARG A 10 -0.613 -7.838 8.290 1.00 45.41 H new ATOM 0 HE ARG A 10 -0.159 -8.258 11.120 1.00 54.21 H new ATOM 0 HH11 ARG A 10 1.497 -7.369 8.136 1.00 4.24 H new ATOM 0 HH12 ARG A 10 2.829 -6.614 9.018 1.00 4.24 H new ATOM 0 HH21 ARG A 10 1.512 -7.326 12.144 1.00 14.42 H new ATOM 0 HH22 ARG A 10 2.834 -6.591 11.232 1.00 14.42 H new ATOM 169 N GLU A 11 -3.868 -4.838 10.017 1.00 61.33 N ATOM 170 CA GLU A 11 -4.574 -3.733 10.694 1.00 42.03 C ATOM 171 C GLU A 11 -4.073 -2.357 10.167 1.00 3.33 C ATOM 172 O GLU A 11 -3.345 -2.292 9.167 1.00 61.11 O ATOM 173 CB GLU A 11 -4.368 -3.863 12.233 1.00 64.24 C ATOM 174 CG GLU A 11 -2.893 -3.843 12.693 1.00 64.45 C ATOM 175 CD GLU A 11 -2.718 -4.050 14.207 1.00 52.25 C ATOM 176 OE1 GLU A 11 -2.767 -3.054 14.965 1.00 70.02 O ATOM 177 OE2 GLU A 11 -2.529 -5.207 14.646 1.00 11.51 O ATOM 0 H GLU A 11 -2.913 -4.598 9.752 1.00 61.33 H new ATOM 0 HA GLU A 11 -5.640 -3.792 10.476 1.00 42.03 H new ATOM 0 HB2 GLU A 11 -4.899 -3.049 12.727 1.00 64.24 H new ATOM 0 HB3 GLU A 11 -4.826 -4.793 12.570 1.00 64.24 H new ATOM 0 HG2 GLU A 11 -2.345 -4.622 12.162 1.00 64.45 H new ATOM 0 HG3 GLU A 11 -2.446 -2.890 12.411 1.00 64.45 H new ATOM 184 N HIS A 12 -4.491 -1.266 10.842 1.00 22.22 N ATOM 185 CA HIS A 12 -4.054 0.125 10.530 1.00 53.44 C ATOM 186 C HIS A 12 -2.510 0.307 10.658 1.00 14.10 C ATOM 187 O HIS A 12 -1.884 -0.253 11.567 1.00 52.45 O ATOM 188 CB HIS A 12 -4.790 1.125 11.468 1.00 33.30 C ATOM 189 CG HIS A 12 -4.672 0.799 12.945 1.00 73.22 C ATOM 190 ND1 HIS A 12 -3.486 0.884 13.648 1.00 34.22 N ATOM 191 CD2 HIS A 12 -5.594 0.357 13.840 1.00 21.02 C ATOM 192 CE1 HIS A 12 -3.682 0.511 14.894 1.00 43.20 C ATOM 193 NE2 HIS A 12 -4.947 0.188 15.036 1.00 23.25 N ATOM 0 H HIS A 12 -5.144 -1.318 11.624 1.00 22.22 H new ATOM 0 HA HIS A 12 -4.314 0.327 9.491 1.00 53.44 H new ATOM 0 HB2 HIS A 12 -4.393 2.125 11.296 1.00 33.30 H new ATOM 0 HB3 HIS A 12 -5.845 1.150 11.197 1.00 33.30 H new ATOM 0 HD1 HIS A 12 -2.594 1.190 13.260 1.00 34.22 H new ATOM 0 HD2 HIS A 12 -6.640 0.173 13.645 1.00 21.02 H new ATOM 0 HE1 HIS A 12 -2.930 0.476 15.669 1.00 43.20 H new ATOM 202 N VAL A 13 -1.909 1.089 9.735 1.00 45.43 N ATOM 203 CA VAL A 13 -0.455 1.417 9.758 1.00 55.40 C ATOM 204 C VAL A 13 -0.238 2.953 9.768 1.00 63.24 C ATOM 205 O VAL A 13 -0.426 3.623 8.750 1.00 33.02 O ATOM 206 CB VAL A 13 0.302 0.776 8.531 1.00 41.45 C ATOM 207 CG1 VAL A 13 1.813 1.137 8.527 1.00 43.35 C ATOM 208 CG2 VAL A 13 0.103 -0.756 8.501 1.00 33.34 C ATOM 0 H VAL A 13 -2.410 1.512 8.954 1.00 45.43 H new ATOM 0 HA VAL A 13 -0.041 0.994 10.673 1.00 55.40 H new ATOM 0 HB VAL A 13 -0.134 1.199 7.626 1.00 41.45 H new ATOM 0 HG11 VAL A 13 2.295 0.675 7.665 1.00 43.35 H new ATOM 0 HG12 VAL A 13 1.928 2.219 8.470 1.00 43.35 H new ATOM 0 HG13 VAL A 13 2.277 0.770 9.442 1.00 43.35 H new ATOM 0 HG21 VAL A 13 0.634 -1.175 7.646 1.00 33.34 H new ATOM 0 HG22 VAL A 13 0.494 -1.192 9.421 1.00 33.34 H new ATOM 0 HG23 VAL A 13 -0.960 -0.983 8.415 1.00 33.34 H new ATOM 218 N PHE A 14 0.140 3.497 10.938 1.00 42.24 N ATOM 219 CA PHE A 14 0.479 4.931 11.104 1.00 11.41 C ATOM 220 C PHE A 14 1.999 5.159 10.889 1.00 31.10 C ATOM 221 O PHE A 14 2.828 4.681 11.674 1.00 32.33 O ATOM 222 CB PHE A 14 0.047 5.429 12.510 1.00 74.43 C ATOM 223 CG PHE A 14 -1.470 5.477 12.728 1.00 2.30 C ATOM 224 CD1 PHE A 14 -2.207 4.306 12.918 1.00 24.20 C ATOM 225 CD2 PHE A 14 -2.155 6.694 12.747 1.00 1.31 C ATOM 226 CE1 PHE A 14 -3.573 4.353 13.115 1.00 24.15 C ATOM 227 CE2 PHE A 14 -3.523 6.736 12.944 1.00 42.32 C ATOM 228 CZ PHE A 14 -4.232 5.566 13.129 1.00 34.41 C ATOM 0 H PHE A 14 0.221 2.958 11.800 1.00 42.24 H new ATOM 0 HA PHE A 14 -0.063 5.504 10.352 1.00 11.41 H new ATOM 0 HB2 PHE A 14 0.489 4.778 13.264 1.00 74.43 H new ATOM 0 HB3 PHE A 14 0.456 6.426 12.670 1.00 74.43 H new ATOM 0 HD1 PHE A 14 -1.702 3.351 12.911 1.00 24.20 H new ATOM 0 HD2 PHE A 14 -1.609 7.615 12.606 1.00 1.31 H new ATOM 0 HE1 PHE A 14 -4.128 3.438 13.259 1.00 24.15 H new ATOM 0 HE2 PHE A 14 -4.038 7.685 12.953 1.00 42.32 H new ATOM 0 HZ PHE A 14 -5.300 5.600 13.284 1.00 34.41 H new ATOM 238 N VAL A 15 2.348 5.878 9.804 1.00 61.34 N ATOM 239 CA VAL A 15 3.748 6.197 9.435 1.00 13.14 C ATOM 240 C VAL A 15 4.083 7.665 9.817 1.00 5.32 C ATOM 241 O VAL A 15 3.316 8.578 9.511 1.00 62.32 O ATOM 242 CB VAL A 15 3.970 5.980 7.889 1.00 53.12 C ATOM 243 CG1 VAL A 15 5.426 6.293 7.461 1.00 1.44 C ATOM 244 CG2 VAL A 15 3.557 4.545 7.469 1.00 34.41 C ATOM 0 H VAL A 15 1.663 6.258 9.151 1.00 61.34 H new ATOM 0 HA VAL A 15 4.412 5.528 9.983 1.00 13.14 H new ATOM 0 HB VAL A 15 3.327 6.687 7.365 1.00 53.12 H new ATOM 0 HG11 VAL A 15 5.533 6.130 6.389 1.00 1.44 H new ATOM 0 HG12 VAL A 15 5.659 7.332 7.695 1.00 1.44 H new ATOM 0 HG13 VAL A 15 6.112 5.638 7.998 1.00 1.44 H new ATOM 0 HG21 VAL A 15 3.719 4.418 6.399 1.00 34.41 H new ATOM 0 HG22 VAL A 15 4.159 3.819 8.015 1.00 34.41 H new ATOM 0 HG23 VAL A 15 2.503 4.388 7.698 1.00 34.41 H new ATOM 254 N HIS A 16 5.222 7.882 10.506 1.00 3.13 N ATOM 255 CA HIS A 16 5.739 9.241 10.810 1.00 64.02 C ATOM 256 C HIS A 16 6.912 9.560 9.853 1.00 30.05 C ATOM 257 O HIS A 16 8.010 9.014 10.005 1.00 12.35 O ATOM 258 CB HIS A 16 6.196 9.335 12.288 1.00 62.55 C ATOM 259 CG HIS A 16 5.147 8.909 13.277 1.00 73.31 C ATOM 260 ND1 HIS A 16 5.317 7.852 14.145 1.00 62.32 N ATOM 261 CD2 HIS A 16 3.906 9.390 13.524 1.00 11.32 C ATOM 262 CE1 HIS A 16 4.238 7.704 14.874 1.00 4.33 C ATOM 263 NE2 HIS A 16 3.366 8.616 14.519 1.00 15.14 N ATOM 0 H HIS A 16 5.809 7.130 10.867 1.00 3.13 H new ATOM 0 HA HIS A 16 4.944 9.972 10.663 1.00 64.02 H new ATOM 0 HB2 HIS A 16 7.083 8.716 12.424 1.00 62.55 H new ATOM 0 HB3 HIS A 16 6.489 10.363 12.503 1.00 62.55 H new ATOM 0 HD2 HIS A 16 3.431 10.225 13.031 1.00 11.32 H new ATOM 0 HE1 HIS A 16 4.092 6.956 15.639 1.00 4.33 H new ATOM 0 HE2 HIS A 16 2.435 8.732 14.919 1.00 15.14 H new ATOM 272 N ALA A 17 6.660 10.422 8.858 1.00 20.24 N ATOM 273 CA ALA A 17 7.628 10.743 7.787 1.00 20.42 C ATOM 274 C ALA A 17 8.066 12.219 7.832 1.00 62.41 C ATOM 275 O ALA A 17 7.454 13.040 8.511 1.00 22.03 O ATOM 276 CB ALA A 17 6.987 10.415 6.433 1.00 40.22 C ATOM 0 H ALA A 17 5.775 10.922 8.769 1.00 20.24 H new ATOM 0 HA ALA A 17 8.526 10.142 7.934 1.00 20.42 H new ATOM 0 HB1 ALA A 17 7.689 10.647 5.632 1.00 40.22 H new ATOM 0 HB2 ALA A 17 6.733 9.356 6.398 1.00 40.22 H new ATOM 0 HB3 ALA A 17 6.082 11.009 6.305 1.00 40.22 H new ATOM 282 N ILE A 18 9.160 12.537 7.124 1.00 41.30 N ATOM 283 CA ILE A 18 9.598 13.931 6.878 1.00 44.35 C ATOM 284 C ILE A 18 9.524 14.199 5.339 1.00 71.51 C ATOM 285 O ILE A 18 9.482 13.253 4.540 1.00 74.42 O ATOM 286 CB ILE A 18 11.062 14.192 7.439 1.00 23.43 C ATOM 287 CG1 ILE A 18 11.270 13.575 8.868 1.00 13.42 C ATOM 288 CG2 ILE A 18 11.416 15.703 7.465 1.00 3.20 C ATOM 289 CD1 ILE A 18 10.385 14.149 9.967 1.00 22.53 C ATOM 0 H ILE A 18 9.771 11.838 6.702 1.00 41.30 H new ATOM 0 HA ILE A 18 8.940 14.620 7.407 1.00 44.35 H new ATOM 0 HB ILE A 18 11.738 13.690 6.747 1.00 23.43 H new ATOM 0 HG12 ILE A 18 11.095 12.501 8.809 1.00 13.42 H new ATOM 0 HG13 ILE A 18 12.312 13.713 9.156 1.00 13.42 H new ATOM 0 HG21 ILE A 18 12.425 15.834 7.856 1.00 3.20 H new ATOM 0 HG22 ILE A 18 11.363 16.107 6.454 1.00 3.20 H new ATOM 0 HG23 ILE A 18 10.709 16.231 8.104 1.00 3.20 H new ATOM 0 HD11 ILE A 18 10.610 13.653 10.911 1.00 22.53 H new ATOM 0 HD12 ILE A 18 10.573 15.218 10.064 1.00 22.53 H new ATOM 0 HD13 ILE A 18 9.338 13.987 9.713 1.00 22.53 H new ATOM 301 N THR A 19 9.504 15.482 4.948 1.00 24.32 N ATOM 302 CA THR A 19 9.317 15.936 3.540 1.00 63.04 C ATOM 303 C THR A 19 10.311 15.313 2.512 1.00 23.40 C ATOM 304 O THR A 19 9.936 15.037 1.370 1.00 53.52 O ATOM 305 CB THR A 19 9.429 17.493 3.460 1.00 11.12 C ATOM 306 OG1 THR A 19 10.703 17.915 3.979 1.00 23.35 O ATOM 307 CG2 THR A 19 8.306 18.191 4.245 1.00 64.23 C ATOM 0 H THR A 19 9.618 16.255 5.604 1.00 24.32 H new ATOM 0 HA THR A 19 8.323 15.588 3.261 1.00 63.04 H new ATOM 0 HB THR A 19 9.334 17.776 2.412 1.00 11.12 H new ATOM 0 HG1 THR A 19 10.771 18.891 3.926 1.00 23.35 H new ATOM 0 HG21 THR A 19 8.422 19.272 4.163 1.00 64.23 H new ATOM 0 HG22 THR A 19 7.339 17.898 3.836 1.00 64.23 H new ATOM 0 HG23 THR A 19 8.360 17.899 5.294 1.00 64.23 H new ATOM 315 N SER A 20 11.575 15.100 2.907 1.00 1.43 N ATOM 316 CA SER A 20 12.634 14.598 1.975 1.00 64.14 C ATOM 317 C SER A 20 12.995 13.103 2.241 1.00 34.50 C ATOM 318 O SER A 20 14.036 12.618 1.784 1.00 60.24 O ATOM 319 CB SER A 20 13.888 15.516 2.084 1.00 33.11 C ATOM 320 OG SER A 20 14.833 15.270 1.048 1.00 63.33 O ATOM 0 H SER A 20 11.903 15.262 3.859 1.00 1.43 H new ATOM 0 HA SER A 20 12.246 14.637 0.957 1.00 64.14 H new ATOM 0 HB2 SER A 20 13.575 16.559 2.046 1.00 33.11 H new ATOM 0 HB3 SER A 20 14.365 15.361 3.052 1.00 33.11 H new ATOM 0 HG SER A 20 14.945 14.304 0.930 1.00 63.33 H new ATOM 326 N GLU A 21 12.109 12.379 2.954 1.00 40.32 N ATOM 327 CA GLU A 21 12.278 10.925 3.247 1.00 72.10 C ATOM 328 C GLU A 21 11.764 10.021 2.102 1.00 45.23 C ATOM 329 O GLU A 21 10.995 10.458 1.243 1.00 35.43 O ATOM 330 CB GLU A 21 11.537 10.563 4.568 1.00 33.13 C ATOM 331 CG GLU A 21 12.209 11.102 5.846 1.00 63.24 C ATOM 332 CD GLU A 21 13.581 10.463 6.128 1.00 63.13 C ATOM 333 OE1 GLU A 21 13.625 9.376 6.735 1.00 53.21 O ATOM 334 OE2 GLU A 21 14.619 11.038 5.730 1.00 73.50 O ATOM 0 H GLU A 21 11.255 12.776 3.346 1.00 40.32 H new ATOM 0 HA GLU A 21 13.348 10.743 3.349 1.00 72.10 H new ATOM 0 HB2 GLU A 21 10.519 10.950 4.517 1.00 33.13 H new ATOM 0 HB3 GLU A 21 11.462 9.478 4.642 1.00 33.13 H new ATOM 0 HG2 GLU A 21 12.330 12.182 5.757 1.00 63.24 H new ATOM 0 HG3 GLU A 21 11.551 10.924 6.697 1.00 63.24 H new ATOM 341 N CYS A 22 12.195 8.745 2.125 1.00 52.12 N ATOM 342 CA CYS A 22 11.714 7.694 1.196 1.00 51.21 C ATOM 343 C CYS A 22 10.757 6.719 1.932 1.00 64.52 C ATOM 344 O CYS A 22 11.203 5.888 2.729 1.00 12.21 O ATOM 345 CB CYS A 22 12.916 6.919 0.604 1.00 53.22 C ATOM 346 SG CYS A 22 14.138 7.959 -0.227 1.00 61.51 S ATOM 0 H CYS A 22 12.891 8.409 2.791 1.00 52.12 H new ATOM 0 HA CYS A 22 11.166 8.170 0.383 1.00 51.21 H new ATOM 0 HB2 CYS A 22 13.409 6.370 1.406 1.00 53.22 H new ATOM 0 HB3 CYS A 22 12.543 6.180 -0.105 1.00 53.22 H new ATOM 0 HG CYS A 22 13.550 9.006 -0.726 1.00 61.51 H new ATOM 352 N VAL A 23 9.439 6.833 1.676 1.00 12.50 N ATOM 353 CA VAL A 23 8.397 5.998 2.340 1.00 51.44 C ATOM 354 C VAL A 23 7.803 4.960 1.359 1.00 64.44 C ATOM 355 O VAL A 23 7.476 5.291 0.225 1.00 64.30 O ATOM 356 CB VAL A 23 7.250 6.906 2.934 1.00 64.53 C ATOM 357 CG1 VAL A 23 6.044 6.080 3.469 1.00 53.10 C ATOM 358 CG2 VAL A 23 7.815 7.820 4.047 1.00 51.30 C ATOM 0 H VAL A 23 9.059 7.502 1.006 1.00 12.50 H new ATOM 0 HA VAL A 23 8.876 5.459 3.157 1.00 51.44 H new ATOM 0 HB VAL A 23 6.873 7.519 2.116 1.00 64.53 H new ATOM 0 HG11 VAL A 23 5.287 6.757 3.865 1.00 53.10 H new ATOM 0 HG12 VAL A 23 5.616 5.492 2.657 1.00 53.10 H new ATOM 0 HG13 VAL A 23 6.383 5.412 4.261 1.00 53.10 H new ATOM 0 HG21 VAL A 23 7.015 8.441 4.449 1.00 51.30 H new ATOM 0 HG22 VAL A 23 8.233 7.206 4.845 1.00 51.30 H new ATOM 0 HG23 VAL A 23 8.596 8.458 3.633 1.00 51.30 H new ATOM 368 N MET A 24 7.661 3.704 1.814 1.00 32.21 N ATOM 369 CA MET A 24 7.063 2.611 1.020 1.00 51.20 C ATOM 370 C MET A 24 5.883 1.975 1.795 1.00 2.52 C ATOM 371 O MET A 24 6.089 1.248 2.773 1.00 42.23 O ATOM 372 CB MET A 24 8.145 1.552 0.673 1.00 54.15 C ATOM 373 CG MET A 24 7.645 0.367 -0.169 1.00 73.41 C ATOM 374 SD MET A 24 8.952 -0.829 -0.550 1.00 42.24 S ATOM 375 CE MET A 24 10.107 0.160 -1.505 1.00 41.51 C ATOM 0 H MET A 24 7.958 3.414 2.746 1.00 32.21 H new ATOM 0 HA MET A 24 6.674 3.016 0.086 1.00 51.20 H new ATOM 0 HB2 MET A 24 8.955 2.045 0.135 1.00 54.15 H new ATOM 0 HB3 MET A 24 8.566 1.167 1.602 1.00 54.15 H new ATOM 0 HG2 MET A 24 6.841 -0.139 0.366 1.00 73.41 H new ATOM 0 HG3 MET A 24 7.221 0.743 -1.100 1.00 73.41 H new ATOM 0 HE1 MET A 24 10.785 -0.497 -2.049 1.00 41.51 H new ATOM 0 HE2 MET A 24 9.557 0.780 -2.213 1.00 41.51 H new ATOM 0 HE3 MET A 24 10.681 0.798 -0.834 1.00 41.51 H new ATOM 385 N LEU A 25 4.648 2.296 1.373 1.00 4.11 N ATOM 386 CA LEU A 25 3.417 1.701 1.931 1.00 53.43 C ATOM 387 C LEU A 25 3.194 0.290 1.337 1.00 23.21 C ATOM 388 O LEU A 25 2.762 0.156 0.192 1.00 10.31 O ATOM 389 CB LEU A 25 2.206 2.623 1.623 1.00 23.31 C ATOM 390 CG LEU A 25 2.310 4.085 2.162 1.00 44.14 C ATOM 391 CD1 LEU A 25 1.081 4.922 1.750 1.00 13.12 C ATOM 392 CD2 LEU A 25 2.524 4.107 3.695 1.00 33.14 C ATOM 0 H LEU A 25 4.473 2.977 0.634 1.00 4.11 H new ATOM 0 HA LEU A 25 3.519 1.606 3.012 1.00 53.43 H new ATOM 0 HB2 LEU A 25 2.070 2.663 0.542 1.00 23.31 H new ATOM 0 HB3 LEU A 25 1.309 2.165 2.040 1.00 23.31 H new ATOM 0 HG LEU A 25 3.187 4.544 1.705 1.00 44.14 H new ATOM 0 HD11 LEU A 25 1.183 5.935 2.140 1.00 13.12 H new ATOM 0 HD12 LEU A 25 1.013 4.957 0.663 1.00 13.12 H new ATOM 0 HD13 LEU A 25 0.178 4.466 2.156 1.00 13.12 H new ATOM 0 HD21 LEU A 25 2.592 5.139 4.038 1.00 33.14 H new ATOM 0 HD22 LEU A 25 1.684 3.616 4.187 1.00 33.14 H new ATOM 0 HD23 LEU A 25 3.446 3.581 3.941 1.00 33.14 H new ATOM 404 N ALA A 26 3.529 -0.747 2.120 1.00 44.10 N ATOM 405 CA ALA A 26 3.459 -2.155 1.678 1.00 41.34 C ATOM 406 C ALA A 26 2.082 -2.782 1.997 1.00 62.31 C ATOM 407 O ALA A 26 1.575 -2.657 3.119 1.00 25.03 O ATOM 408 CB ALA A 26 4.590 -2.956 2.338 1.00 44.34 C ATOM 0 H ALA A 26 3.857 -0.636 3.079 1.00 44.10 H new ATOM 0 HA ALA A 26 3.582 -2.185 0.595 1.00 41.34 H new ATOM 0 HB1 ALA A 26 4.538 -3.995 2.012 1.00 44.34 H new ATOM 0 HB2 ALA A 26 5.552 -2.533 2.050 1.00 44.34 H new ATOM 0 HB3 ALA A 26 4.484 -2.910 3.422 1.00 44.34 H new ATOM 414 N CYS A 27 1.500 -3.455 0.998 1.00 43.44 N ATOM 415 CA CYS A 27 0.197 -4.141 1.105 1.00 20.41 C ATOM 416 C CYS A 27 0.188 -5.401 0.215 1.00 64.25 C ATOM 417 O CYS A 27 0.267 -5.307 -1.006 1.00 61.21 O ATOM 418 CB CYS A 27 -0.955 -3.190 0.682 1.00 71.02 C ATOM 419 SG CYS A 27 -2.607 -3.930 0.738 1.00 75.13 S ATOM 0 H CYS A 27 1.924 -3.543 0.075 1.00 43.44 H new ATOM 0 HA CYS A 27 0.045 -4.434 2.144 1.00 20.41 H new ATOM 0 HB2 CYS A 27 -0.942 -2.314 1.331 1.00 71.02 H new ATOM 0 HB3 CYS A 27 -0.764 -2.838 -0.332 1.00 71.02 H new ATOM 0 HG CYS A 27 -2.613 -4.915 1.586 1.00 75.13 H new ATOM 425 N GLU A 28 0.093 -6.584 0.833 1.00 10.35 N ATOM 426 CA GLU A 28 0.006 -7.875 0.116 1.00 21.44 C ATOM 427 C GLU A 28 -1.368 -8.531 0.349 1.00 22.21 C ATOM 428 O GLU A 28 -1.926 -8.491 1.446 1.00 1.30 O ATOM 429 CB GLU A 28 1.163 -8.808 0.561 1.00 64.24 C ATOM 430 CG GLU A 28 2.566 -8.299 0.159 1.00 54.42 C ATOM 431 CD GLU A 28 3.707 -9.058 0.857 1.00 52.51 C ATOM 432 OE1 GLU A 28 3.875 -8.904 2.080 1.00 72.44 O ATOM 433 OE2 GLU A 28 4.448 -9.802 0.190 1.00 51.40 O ATOM 0 H GLU A 28 0.074 -6.680 1.848 1.00 10.35 H new ATOM 0 HA GLU A 28 0.107 -7.696 -0.954 1.00 21.44 H new ATOM 0 HB2 GLU A 28 1.126 -8.926 1.644 1.00 64.24 H new ATOM 0 HB3 GLU A 28 1.007 -9.796 0.128 1.00 64.24 H new ATOM 0 HG2 GLU A 28 2.684 -8.391 -0.921 1.00 54.42 H new ATOM 0 HG3 GLU A 28 2.643 -7.238 0.399 1.00 54.42 H new ATOM 440 N VAL A 29 -1.913 -9.123 -0.709 1.00 64.13 N ATOM 441 CA VAL A 29 -3.232 -9.779 -0.691 1.00 70.32 C ATOM 442 C VAL A 29 -3.088 -11.310 -0.826 1.00 61.41 C ATOM 443 O VAL A 29 -2.093 -11.810 -1.359 1.00 63.11 O ATOM 444 CB VAL A 29 -4.144 -9.202 -1.835 1.00 52.42 C ATOM 445 CG1 VAL A 29 -4.502 -7.717 -1.567 1.00 4.01 C ATOM 446 CG2 VAL A 29 -3.460 -9.363 -3.213 1.00 14.33 C ATOM 0 H VAL A 29 -1.452 -9.166 -1.618 1.00 64.13 H new ATOM 0 HA VAL A 29 -3.706 -9.571 0.268 1.00 70.32 H new ATOM 0 HB VAL A 29 -5.072 -9.773 -1.846 1.00 52.42 H new ATOM 0 HG11 VAL A 29 -5.133 -7.344 -2.373 1.00 4.01 H new ATOM 0 HG12 VAL A 29 -5.037 -7.637 -0.621 1.00 4.01 H new ATOM 0 HG13 VAL A 29 -3.588 -7.125 -1.518 1.00 4.01 H new ATOM 0 HG21 VAL A 29 -4.108 -8.958 -3.990 1.00 14.33 H new ATOM 0 HG22 VAL A 29 -2.512 -8.825 -3.214 1.00 14.33 H new ATOM 0 HG23 VAL A 29 -3.278 -10.420 -3.407 1.00 14.33 H new ATOM 456 N ASP A 30 -4.099 -12.038 -0.328 1.00 10.32 N ATOM 457 CA ASP A 30 -4.149 -13.518 -0.364 1.00 33.12 C ATOM 458 C ASP A 30 -4.130 -14.069 -1.811 1.00 21.51 C ATOM 459 O ASP A 30 -3.502 -15.101 -2.092 1.00 30.21 O ATOM 460 CB ASP A 30 -5.427 -13.996 0.379 1.00 74.45 C ATOM 461 CG ASP A 30 -5.571 -15.528 0.432 1.00 1.12 C ATOM 462 OD1 ASP A 30 -4.942 -16.168 1.303 1.00 14.33 O ATOM 463 OD2 ASP A 30 -6.312 -16.095 -0.400 1.00 51.43 O ATOM 0 H ASP A 30 -4.915 -11.617 0.116 1.00 10.32 H new ATOM 0 HA ASP A 30 -3.258 -13.903 0.132 1.00 33.12 H new ATOM 0 HB2 ASP A 30 -5.414 -13.605 1.396 1.00 74.45 H new ATOM 0 HB3 ASP A 30 -6.303 -13.574 -0.113 1.00 74.45 H new ATOM 468 N ARG A 31 -4.799 -13.351 -2.724 1.00 22.22 N ATOM 469 CA ARG A 31 -5.051 -13.828 -4.095 1.00 65.03 C ATOM 470 C ARG A 31 -4.389 -12.885 -5.126 1.00 52.05 C ATOM 471 O ARG A 31 -4.676 -11.687 -5.147 1.00 70.32 O ATOM 472 CB ARG A 31 -6.586 -13.923 -4.318 1.00 41.23 C ATOM 473 CG ARG A 31 -6.996 -14.777 -5.527 1.00 24.13 C ATOM 474 CD ARG A 31 -8.513 -14.987 -5.638 1.00 22.44 C ATOM 475 NE ARG A 31 -8.831 -16.048 -6.604 1.00 75.11 N ATOM 476 CZ ARG A 31 -9.993 -16.638 -6.747 1.00 15.03 C ATOM 477 NH1 ARG A 31 -11.053 -16.208 -6.140 1.00 12.24 N ATOM 478 NH2 ARG A 31 -10.094 -17.645 -7.539 1.00 34.43 N ATOM 0 H ARG A 31 -5.181 -12.424 -2.535 1.00 22.22 H new ATOM 0 HA ARG A 31 -4.611 -14.816 -4.231 1.00 65.03 H new ATOM 0 HB2 ARG A 31 -7.047 -14.338 -3.422 1.00 41.23 H new ATOM 0 HB3 ARG A 31 -6.986 -12.917 -4.446 1.00 41.23 H new ATOM 0 HG2 ARG A 31 -6.635 -14.301 -6.438 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -6.506 -15.748 -5.459 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -8.920 -15.247 -4.661 1.00 22.44 H new ATOM 0 HD3 ARG A 31 -8.991 -14.056 -5.945 1.00 22.44 H new ATOM 0 HE ARG A 31 -8.078 -16.354 -7.220 1.00 75.11 H new ATOM 0 HH11 ARG A 31 -10.997 -15.391 -5.532 1.00 12.24 H new ATOM 0 HH12 ARG A 31 -11.944 -16.687 -6.270 1.00 12.24 H new ATOM 0 HH21 ARG A 31 -9.275 -17.977 -8.048 1.00 34.43 H new ATOM 0 HH22 ARG A 31 -10.993 -18.112 -7.658 1.00 34.43 H new ATOM 492 N GLU A 32 -3.515 -13.444 -5.992 1.00 4.33 N ATOM 493 CA GLU A 32 -2.757 -12.663 -7.012 1.00 13.31 C ATOM 494 C GLU A 32 -3.667 -12.097 -8.130 1.00 33.10 C ATOM 495 O GLU A 32 -3.257 -11.209 -8.883 1.00 73.14 O ATOM 496 CB GLU A 32 -1.634 -13.537 -7.641 1.00 32.25 C ATOM 497 CG GLU A 32 -2.133 -14.753 -8.454 1.00 40.12 C ATOM 498 CD GLU A 32 -0.985 -15.579 -9.056 1.00 51.25 C ATOM 499 OE1 GLU A 32 -0.420 -16.428 -8.340 1.00 61.42 O ATOM 500 OE2 GLU A 32 -0.631 -15.366 -10.237 1.00 65.43 O ATOM 0 H GLU A 32 -3.311 -14.443 -6.009 1.00 4.33 H new ATOM 0 HA GLU A 32 -2.316 -11.814 -6.490 1.00 13.31 H new ATOM 0 HB2 GLU A 32 -1.026 -12.908 -8.292 1.00 32.25 H new ATOM 0 HB3 GLU A 32 -0.982 -13.894 -6.844 1.00 32.25 H new ATOM 0 HG2 GLU A 32 -2.735 -15.393 -7.809 1.00 40.12 H new ATOM 0 HG3 GLU A 32 -2.784 -14.405 -9.256 1.00 40.12 H new ATOM 507 N ASP A 33 -4.892 -12.642 -8.231 1.00 41.24 N ATOM 508 CA ASP A 33 -5.943 -12.172 -9.167 1.00 72.42 C ATOM 509 C ASP A 33 -6.458 -10.741 -8.828 1.00 62.04 C ATOM 510 O ASP A 33 -7.131 -10.113 -9.654 1.00 2.32 O ATOM 511 CB ASP A 33 -7.136 -13.163 -9.125 1.00 41.33 C ATOM 512 CG ASP A 33 -6.750 -14.608 -9.498 1.00 52.42 C ATOM 513 OD1 ASP A 33 -5.964 -15.237 -8.752 1.00 2.33 O ATOM 514 OD2 ASP A 33 -7.255 -15.131 -10.516 1.00 11.52 O ATOM 0 H ASP A 33 -5.190 -13.433 -7.659 1.00 41.24 H new ATOM 0 HA ASP A 33 -5.499 -12.130 -10.161 1.00 72.42 H new ATOM 0 HB2 ASP A 33 -7.567 -13.158 -8.124 1.00 41.33 H new ATOM 0 HB3 ASP A 33 -7.911 -12.815 -9.808 1.00 41.33 H new ATOM 519 N ALA A 34 -6.142 -10.263 -7.603 1.00 63.40 N ATOM 520 CA ALA A 34 -6.587 -8.952 -7.073 1.00 44.31 C ATOM 521 C ALA A 34 -6.122 -7.746 -7.920 1.00 4.45 C ATOM 522 O ALA A 34 -4.914 -7.516 -8.036 1.00 35.50 O ATOM 523 CB ALA A 34 -6.058 -8.774 -5.642 1.00 4.45 C ATOM 0 H ALA A 34 -5.562 -10.784 -6.945 1.00 63.40 H new ATOM 0 HA ALA A 34 -7.677 -8.966 -7.103 1.00 44.31 H new ATOM 0 HB1 ALA A 34 -6.384 -7.810 -5.251 1.00 4.45 H new ATOM 0 HB2 ALA A 34 -6.445 -9.573 -5.009 1.00 4.45 H new ATOM 0 HB3 ALA A 34 -4.969 -8.813 -5.649 1.00 4.45 H new ATOM 529 N PRO A 35 -7.061 -6.964 -8.532 1.00 31.32 N ATOM 530 CA PRO A 35 -6.752 -5.654 -9.115 1.00 33.13 C ATOM 531 C PRO A 35 -7.044 -4.527 -8.086 1.00 14.54 C ATOM 532 O PRO A 35 -8.152 -3.976 -8.040 1.00 0.45 O ATOM 533 CB PRO A 35 -7.691 -5.618 -10.354 1.00 20.25 C ATOM 534 CG PRO A 35 -8.828 -6.581 -10.044 1.00 53.34 C ATOM 535 CD PRO A 35 -8.494 -7.283 -8.730 1.00 21.32 C ATOM 0 HA PRO A 35 -5.708 -5.503 -9.389 1.00 33.13 H new ATOM 0 HB2 PRO A 35 -8.069 -4.611 -10.528 1.00 20.25 H new ATOM 0 HB3 PRO A 35 -7.159 -5.919 -11.256 1.00 20.25 H new ATOM 0 HG2 PRO A 35 -9.773 -6.044 -9.962 1.00 53.34 H new ATOM 0 HG3 PRO A 35 -8.944 -7.308 -10.848 1.00 53.34 H new ATOM 0 HD2 PRO A 35 -9.107 -6.912 -7.908 1.00 21.32 H new ATOM 0 HD3 PRO A 35 -8.662 -8.358 -8.793 1.00 21.32 H new ATOM 543 N VAL A 36 -6.049 -4.232 -7.214 1.00 74.03 N ATOM 544 CA VAL A 36 -6.260 -3.322 -6.062 1.00 4.43 C ATOM 545 C VAL A 36 -6.381 -1.845 -6.505 1.00 14.42 C ATOM 546 O VAL A 36 -5.872 -1.439 -7.560 1.00 5.32 O ATOM 547 CB VAL A 36 -5.144 -3.459 -4.949 1.00 14.43 C ATOM 548 CG1 VAL A 36 -4.863 -4.945 -4.610 1.00 1.04 C ATOM 549 CG2 VAL A 36 -3.849 -2.699 -5.333 1.00 72.14 C ATOM 0 H VAL A 36 -5.103 -4.606 -7.285 1.00 74.03 H new ATOM 0 HA VAL A 36 -7.206 -3.635 -5.620 1.00 4.43 H new ATOM 0 HB VAL A 36 -5.529 -2.988 -4.045 1.00 14.43 H new ATOM 0 HG11 VAL A 36 -4.092 -5.003 -3.842 1.00 1.04 H new ATOM 0 HG12 VAL A 36 -5.776 -5.414 -4.243 1.00 1.04 H new ATOM 0 HG13 VAL A 36 -4.523 -5.465 -5.506 1.00 1.04 H new ATOM 0 HG21 VAL A 36 -3.109 -2.819 -4.542 1.00 72.14 H new ATOM 0 HG22 VAL A 36 -3.453 -3.103 -6.265 1.00 72.14 H new ATOM 0 HG23 VAL A 36 -4.073 -1.640 -5.463 1.00 72.14 H new ATOM 559 N ARG A 37 -7.064 -1.054 -5.673 1.00 43.45 N ATOM 560 CA ARG A 37 -7.301 0.377 -5.915 1.00 2.10 C ATOM 561 C ARG A 37 -6.637 1.206 -4.794 1.00 5.31 C ATOM 562 O ARG A 37 -7.130 1.229 -3.663 1.00 71.14 O ATOM 563 CB ARG A 37 -8.832 0.645 -5.969 1.00 21.25 C ATOM 564 CG ARG A 37 -9.601 -0.152 -7.051 1.00 12.43 C ATOM 565 CD ARG A 37 -9.151 0.202 -8.484 1.00 2.14 C ATOM 566 NE ARG A 37 -9.461 1.603 -8.830 1.00 13.45 N ATOM 567 CZ ARG A 37 -8.676 2.428 -9.495 1.00 64.10 C ATOM 568 NH1 ARG A 37 -7.466 2.104 -9.835 1.00 21.54 N ATOM 569 NH2 ARG A 37 -9.105 3.600 -9.784 1.00 33.14 N ATOM 0 H ARG A 37 -7.474 -1.390 -4.802 1.00 43.45 H new ATOM 0 HA ARG A 37 -6.863 0.671 -6.869 1.00 2.10 H new ATOM 0 HB2 ARG A 37 -9.261 0.411 -4.994 1.00 21.25 H new ATOM 0 HB3 ARG A 37 -8.993 1.709 -6.141 1.00 21.25 H new ATOM 0 HG2 ARG A 37 -9.456 -1.219 -6.882 1.00 12.43 H new ATOM 0 HG3 ARG A 37 -10.669 0.044 -6.951 1.00 12.43 H new ATOM 0 HD2 ARG A 37 -8.078 0.034 -8.579 1.00 2.14 H new ATOM 0 HD3 ARG A 37 -9.642 -0.464 -9.193 1.00 2.14 H new ATOM 0 HE ARG A 37 -10.365 1.966 -8.527 1.00 13.45 H new ATOM 0 HH11 ARG A 37 -7.095 1.186 -9.588 1.00 21.54 H new ATOM 0 HH12 ARG A 37 -6.886 2.767 -10.349 1.00 21.54 H new ATOM 0 HH21 ARG A 37 -10.043 3.884 -9.500 1.00 33.14 H new ATOM 0 HH22 ARG A 37 -8.509 4.249 -10.298 1.00 33.14 H new ATOM 583 N TRP A 38 -5.508 1.859 -5.114 1.00 70.31 N ATOM 584 CA TRP A 38 -4.791 2.750 -4.173 1.00 70.22 C ATOM 585 C TRP A 38 -5.405 4.168 -4.236 1.00 32.13 C ATOM 586 O TRP A 38 -5.499 4.751 -5.312 1.00 2.11 O ATOM 587 CB TRP A 38 -3.273 2.825 -4.529 1.00 14.32 C ATOM 588 CG TRP A 38 -2.458 1.611 -4.157 1.00 25.03 C ATOM 589 CD1 TRP A 38 -2.169 0.526 -4.940 1.00 42.21 C ATOM 590 CD2 TRP A 38 -1.799 1.389 -2.902 1.00 61.13 C ATOM 591 NE1 TRP A 38 -1.375 -0.354 -4.249 1.00 32.04 N ATOM 592 CE2 TRP A 38 -1.137 0.153 -2.991 1.00 65.45 C ATOM 593 CE3 TRP A 38 -1.710 2.120 -1.710 1.00 51.45 C ATOM 594 CZ2 TRP A 38 -0.394 -0.367 -1.935 1.00 10.33 C ATOM 595 CZ3 TRP A 38 -0.969 1.604 -0.663 1.00 34.43 C ATOM 596 CH2 TRP A 38 -0.322 0.368 -0.780 1.00 50.12 C ATOM 0 H TRP A 38 -5.063 1.788 -6.029 1.00 70.31 H new ATOM 0 HA TRP A 38 -4.893 2.345 -3.166 1.00 70.22 H new ATOM 0 HB2 TRP A 38 -3.177 2.991 -5.602 1.00 14.32 H new ATOM 0 HB3 TRP A 38 -2.844 3.695 -4.033 1.00 14.32 H new ATOM 0 HD1 TRP A 38 -2.515 0.384 -5.953 1.00 42.21 H new ATOM 0 HE1 TRP A 38 -1.019 -1.240 -4.609 1.00 32.04 H new ATOM 0 HE3 TRP A 38 -2.212 3.071 -1.611 1.00 51.45 H new ATOM 0 HZ2 TRP A 38 0.109 -1.318 -2.023 1.00 10.33 H new ATOM 0 HZ3 TRP A 38 -0.888 2.162 0.258 1.00 34.43 H new ATOM 0 HH2 TRP A 38 0.245 -0.014 0.056 1.00 50.12 H new ATOM 607 N TYR A 39 -5.823 4.713 -3.082 1.00 44.44 N ATOM 608 CA TYR A 39 -6.419 6.069 -2.992 1.00 14.04 C ATOM 609 C TYR A 39 -5.525 6.999 -2.156 1.00 10.34 C ATOM 610 O TYR A 39 -5.020 6.606 -1.106 1.00 70.54 O ATOM 611 CB TYR A 39 -7.844 5.994 -2.385 1.00 34.33 C ATOM 612 CG TYR A 39 -8.815 5.138 -3.204 1.00 53.20 C ATOM 613 CD1 TYR A 39 -9.293 5.579 -4.442 1.00 63.12 C ATOM 614 CD2 TYR A 39 -9.233 3.884 -2.756 1.00 74.23 C ATOM 615 CE1 TYR A 39 -10.155 4.803 -5.193 1.00 21.23 C ATOM 616 CE2 TYR A 39 -10.092 3.109 -3.507 1.00 33.04 C ATOM 617 CZ TYR A 39 -10.550 3.574 -4.723 1.00 11.24 C ATOM 618 OH TYR A 39 -11.405 2.798 -5.480 1.00 44.41 O ATOM 0 H TYR A 39 -5.761 4.233 -2.184 1.00 44.44 H new ATOM 0 HA TYR A 39 -6.493 6.480 -3.999 1.00 14.04 H new ATOM 0 HB2 TYR A 39 -7.779 5.589 -1.375 1.00 34.33 H new ATOM 0 HB3 TYR A 39 -8.247 7.003 -2.298 1.00 34.33 H new ATOM 0 HD1 TYR A 39 -8.983 6.543 -4.818 1.00 63.12 H new ATOM 0 HD2 TYR A 39 -8.878 3.514 -1.805 1.00 74.23 H new ATOM 0 HE1 TYR A 39 -10.517 5.161 -6.146 1.00 21.23 H new ATOM 0 HE2 TYR A 39 -10.405 2.141 -3.144 1.00 33.04 H new ATOM 0 HH TYR A 39 -11.588 1.958 -5.009 1.00 44.41 H new ATOM 628 N LYS A 40 -5.332 8.232 -2.646 1.00 32.41 N ATOM 629 CA LYS A 40 -4.575 9.280 -1.944 1.00 54.44 C ATOM 630 C LYS A 40 -5.565 10.408 -1.620 1.00 41.21 C ATOM 631 O LYS A 40 -5.844 11.260 -2.470 1.00 72.54 O ATOM 632 CB LYS A 40 -3.386 9.756 -2.834 1.00 14.11 C ATOM 633 CG LYS A 40 -2.306 10.645 -2.168 1.00 10.02 C ATOM 634 CD LYS A 40 -2.736 12.107 -1.911 1.00 32.02 C ATOM 635 CE LYS A 40 -1.578 12.980 -1.437 1.00 70.10 C ATOM 636 NZ LYS A 40 -0.484 13.067 -2.444 1.00 2.50 N ATOM 0 H LYS A 40 -5.700 8.533 -3.548 1.00 32.41 H new ATOM 0 HA LYS A 40 -4.135 8.917 -1.016 1.00 54.44 H new ATOM 0 HB2 LYS A 40 -2.892 8.872 -3.237 1.00 14.11 H new ATOM 0 HB3 LYS A 40 -3.798 10.305 -3.681 1.00 14.11 H new ATOM 0 HG2 LYS A 40 -2.019 10.193 -1.218 1.00 10.02 H new ATOM 0 HG3 LYS A 40 -1.418 10.648 -2.800 1.00 10.02 H new ATOM 0 HD2 LYS A 40 -3.152 12.527 -2.827 1.00 32.02 H new ATOM 0 HD3 LYS A 40 -3.529 12.123 -1.164 1.00 32.02 H new ATOM 0 HE2 LYS A 40 -1.948 13.982 -1.218 1.00 70.10 H new ATOM 0 HE3 LYS A 40 -1.180 12.577 -0.506 1.00 70.10 H new ATOM 0 HZ1 LYS A 40 0.091 13.913 -2.259 1.00 2.50 H new ATOM 0 HZ2 LYS A 40 0.116 12.220 -2.379 1.00 2.50 H new ATOM 0 HZ3 LYS A 40 -0.894 13.129 -3.398 1.00 2.50 H new ATOM 650 N ASP A 41 -6.147 10.330 -0.412 1.00 1.13 N ATOM 651 CA ASP A 41 -7.154 11.292 0.112 1.00 61.23 C ATOM 652 C ASP A 41 -8.374 11.542 -0.840 1.00 0.01 C ATOM 653 O ASP A 41 -9.039 12.581 -0.744 1.00 13.15 O ATOM 654 CB ASP A 41 -6.435 12.609 0.511 1.00 34.22 C ATOM 655 CG ASP A 41 -5.418 12.386 1.649 1.00 61.03 C ATOM 656 OD1 ASP A 41 -4.248 12.031 1.372 1.00 24.44 O ATOM 657 OD2 ASP A 41 -5.791 12.555 2.830 1.00 5.34 O ATOM 0 H ASP A 41 -5.932 9.583 0.249 1.00 1.13 H new ATOM 0 HA ASP A 41 -7.608 10.839 0.993 1.00 61.23 H new ATOM 0 HB2 ASP A 41 -5.923 13.021 -0.358 1.00 34.22 H new ATOM 0 HB3 ASP A 41 -7.174 13.346 0.824 1.00 34.22 H new ATOM 662 N GLY A 42 -8.671 10.577 -1.745 1.00 73.13 N ATOM 663 CA GLY A 42 -9.872 10.649 -2.600 1.00 51.53 C ATOM 664 C GLY A 42 -9.655 10.199 -4.056 1.00 64.40 C ATOM 665 O GLY A 42 -10.064 9.104 -4.431 1.00 32.44 O ATOM 0 H GLY A 42 -8.097 9.747 -1.898 1.00 73.13 H new ATOM 0 HA2 GLY A 42 -10.654 10.033 -2.157 1.00 51.53 H new ATOM 0 HA3 GLY A 42 -10.238 11.676 -2.602 1.00 51.53 H new ATOM 669 N GLN A 43 -8.945 11.037 -4.849 1.00 53.10 N ATOM 670 CA GLN A 43 -8.896 10.952 -6.350 1.00 40.55 C ATOM 671 C GLN A 43 -7.833 9.947 -6.878 1.00 62.32 C ATOM 672 O GLN A 43 -7.112 10.246 -7.846 1.00 44.22 O ATOM 673 CB GLN A 43 -8.612 12.374 -6.928 1.00 20.22 C ATOM 674 CG GLN A 43 -9.745 13.401 -6.755 1.00 70.14 C ATOM 675 CD GLN A 43 -9.373 14.812 -7.240 1.00 12.14 C ATOM 676 OE1 GLN A 43 -8.216 15.224 -7.180 1.00 54.22 O ATOM 677 NE2 GLN A 43 -10.343 15.556 -7.736 1.00 0.34 N ATOM 0 H GLN A 43 -8.382 11.800 -4.474 1.00 53.10 H new ATOM 0 HA GLN A 43 -9.864 10.579 -6.685 1.00 40.55 H new ATOM 0 HB2 GLN A 43 -7.714 12.767 -6.452 1.00 20.22 H new ATOM 0 HB3 GLN A 43 -8.393 12.277 -7.991 1.00 20.22 H new ATOM 0 HG2 GLN A 43 -10.623 13.057 -7.302 1.00 70.14 H new ATOM 0 HG3 GLN A 43 -10.024 13.449 -5.702 1.00 70.14 H new ATOM 0 HE21 GLN A 43 -11.295 15.193 -7.775 1.00 0.34 H new ATOM 0 HE22 GLN A 43 -10.141 16.495 -8.080 1.00 0.34 H new ATOM 686 N GLU A 44 -7.791 8.741 -6.274 1.00 75.32 N ATOM 687 CA GLU A 44 -6.709 7.743 -6.492 1.00 11.33 C ATOM 688 C GLU A 44 -5.334 8.365 -6.090 1.00 75.03 C ATOM 689 O GLU A 44 -5.300 9.393 -5.401 1.00 13.41 O ATOM 690 CB GLU A 44 -6.726 7.200 -7.969 1.00 41.33 C ATOM 691 CG GLU A 44 -6.139 5.778 -8.155 1.00 34.03 C ATOM 692 CD GLU A 44 -6.030 5.317 -9.619 1.00 13.14 C ATOM 693 OE1 GLU A 44 -7.001 5.486 -10.382 1.00 53.23 O ATOM 694 OE2 GLU A 44 -4.982 4.752 -10.004 1.00 32.15 O ATOM 0 H GLU A 44 -8.506 8.426 -5.618 1.00 75.32 H new ATOM 0 HA GLU A 44 -6.879 6.877 -5.852 1.00 11.33 H new ATOM 0 HB2 GLU A 44 -7.755 7.201 -8.328 1.00 41.33 H new ATOM 0 HB3 GLU A 44 -6.168 7.892 -8.600 1.00 41.33 H new ATOM 0 HG2 GLU A 44 -5.148 5.746 -7.703 1.00 34.03 H new ATOM 0 HG3 GLU A 44 -6.761 5.068 -7.610 1.00 34.03 H new ATOM 701 N VAL A 45 -4.207 7.733 -6.451 1.00 5.14 N ATOM 702 CA VAL A 45 -2.859 8.287 -6.156 1.00 53.24 C ATOM 703 C VAL A 45 -2.230 8.963 -7.397 1.00 41.54 C ATOM 704 O VAL A 45 -1.639 10.048 -7.295 1.00 20.55 O ATOM 705 CB VAL A 45 -1.902 7.172 -5.615 1.00 62.33 C ATOM 706 CG1 VAL A 45 -0.550 7.759 -5.153 1.00 10.04 C ATOM 707 CG2 VAL A 45 -2.576 6.380 -4.477 1.00 31.03 C ATOM 0 H VAL A 45 -4.193 6.841 -6.946 1.00 5.14 H new ATOM 0 HA VAL A 45 -2.990 9.048 -5.386 1.00 53.24 H new ATOM 0 HB VAL A 45 -1.696 6.485 -6.436 1.00 62.33 H new ATOM 0 HG11 VAL A 45 0.088 6.956 -4.784 1.00 10.04 H new ATOM 0 HG12 VAL A 45 -0.062 8.253 -5.993 1.00 10.04 H new ATOM 0 HG13 VAL A 45 -0.721 8.482 -4.356 1.00 10.04 H new ATOM 0 HG21 VAL A 45 -1.894 5.610 -4.116 1.00 31.03 H new ATOM 0 HG22 VAL A 45 -2.825 7.057 -3.660 1.00 31.03 H new ATOM 0 HG23 VAL A 45 -3.487 5.911 -4.850 1.00 31.03 H new ATOM 717 N GLU A 46 -2.400 8.296 -8.556 1.00 30.42 N ATOM 718 CA GLU A 46 -1.757 8.651 -9.850 1.00 64.14 C ATOM 719 C GLU A 46 -0.206 8.506 -9.817 1.00 20.43 C ATOM 720 O GLU A 46 0.441 8.600 -8.769 1.00 14.50 O ATOM 721 CB GLU A 46 -2.153 10.074 -10.347 1.00 3.52 C ATOM 722 CG GLU A 46 -3.657 10.257 -10.639 1.00 24.13 C ATOM 723 CD GLU A 46 -3.972 11.615 -11.294 1.00 52.34 C ATOM 724 OE1 GLU A 46 -4.039 12.634 -10.578 1.00 44.34 O ATOM 725 OE2 GLU A 46 -4.122 11.672 -12.537 1.00 12.01 O ATOM 0 H GLU A 46 -3.001 7.475 -8.627 1.00 30.42 H new ATOM 0 HA GLU A 46 -2.143 7.924 -10.565 1.00 64.14 H new ATOM 0 HB2 GLU A 46 -1.851 10.804 -9.596 1.00 3.52 H new ATOM 0 HB3 GLU A 46 -1.590 10.298 -11.253 1.00 3.52 H new ATOM 0 HG2 GLU A 46 -3.997 9.454 -11.294 1.00 24.13 H new ATOM 0 HG3 GLU A 46 -4.218 10.168 -9.708 1.00 24.13 H new ATOM 732 N GLU A 47 0.384 8.277 -11.004 1.00 50.00 N ATOM 733 CA GLU A 47 1.844 8.089 -11.165 1.00 44.55 C ATOM 734 C GLU A 47 2.539 9.392 -11.644 1.00 51.30 C ATOM 735 O GLU A 47 3.427 9.376 -12.507 1.00 62.10 O ATOM 736 CB GLU A 47 2.085 6.901 -12.137 1.00 63.53 C ATOM 737 CG GLU A 47 1.414 5.586 -11.679 1.00 53.13 C ATOM 738 CD GLU A 47 1.709 4.393 -12.599 1.00 2.23 C ATOM 739 OE1 GLU A 47 1.182 4.360 -13.733 1.00 64.32 O ATOM 740 OE2 GLU A 47 2.460 3.484 -12.190 1.00 54.44 O ATOM 0 H GLU A 47 -0.134 8.216 -11.880 1.00 50.00 H new ATOM 0 HA GLU A 47 2.292 7.853 -10.200 1.00 44.55 H new ATOM 0 HB2 GLU A 47 1.708 7.167 -13.125 1.00 63.53 H new ATOM 0 HB3 GLU A 47 3.158 6.736 -12.239 1.00 63.53 H new ATOM 0 HG2 GLU A 47 1.751 5.348 -10.670 1.00 53.13 H new ATOM 0 HG3 GLU A 47 0.336 5.737 -11.628 1.00 53.13 H new ATOM 747 N SER A 48 2.147 10.511 -11.019 1.00 2.31 N ATOM 748 CA SER A 48 2.712 11.862 -11.276 1.00 50.12 C ATOM 749 C SER A 48 3.352 12.430 -9.985 1.00 3.13 C ATOM 750 O SER A 48 3.274 11.799 -8.934 1.00 25.12 O ATOM 751 CB SER A 48 1.590 12.802 -11.768 1.00 62.11 C ATOM 752 OG SER A 48 0.543 12.898 -10.813 1.00 73.41 O ATOM 0 H SER A 48 1.417 10.513 -10.307 1.00 2.31 H new ATOM 0 HA SER A 48 3.484 11.788 -12.042 1.00 50.12 H new ATOM 0 HB2 SER A 48 2.001 13.793 -11.961 1.00 62.11 H new ATOM 0 HB3 SER A 48 1.191 12.433 -12.713 1.00 62.11 H new ATOM 0 HG SER A 48 0.723 13.644 -10.204 1.00 73.41 H new ATOM 758 N ASP A 49 3.975 13.632 -10.082 1.00 53.30 N ATOM 759 CA ASP A 49 4.596 14.351 -8.922 1.00 63.15 C ATOM 760 C ASP A 49 5.693 13.507 -8.206 1.00 14.00 C ATOM 761 O ASP A 49 5.870 13.602 -6.983 1.00 30.10 O ATOM 762 CB ASP A 49 3.493 14.818 -7.923 1.00 1.44 C ATOM 763 CG ASP A 49 2.461 15.755 -8.579 1.00 5.11 C ATOM 764 OD1 ASP A 49 1.487 15.266 -9.193 1.00 61.43 O ATOM 765 OD2 ASP A 49 2.634 16.987 -8.517 1.00 33.13 O ATOM 0 H ASP A 49 4.065 14.137 -10.964 1.00 53.30 H new ATOM 0 HA ASP A 49 5.104 15.230 -9.319 1.00 63.15 H new ATOM 0 HB2 ASP A 49 2.981 13.945 -7.518 1.00 1.44 H new ATOM 0 HB3 ASP A 49 3.962 15.330 -7.083 1.00 1.44 H new ATOM 770 N PHE A 50 6.428 12.706 -9.018 1.00 43.55 N ATOM 771 CA PHE A 50 7.518 11.778 -8.577 1.00 2.31 C ATOM 772 C PHE A 50 6.984 10.512 -7.841 1.00 60.44 C ATOM 773 O PHE A 50 7.760 9.610 -7.518 1.00 43.45 O ATOM 774 CB PHE A 50 8.617 12.506 -7.735 1.00 20.13 C ATOM 775 CG PHE A 50 9.370 13.593 -8.509 1.00 41.41 C ATOM 776 CD1 PHE A 50 10.454 13.268 -9.323 1.00 21.30 C ATOM 777 CD2 PHE A 50 8.982 14.933 -8.440 1.00 71.11 C ATOM 778 CE1 PHE A 50 11.125 14.246 -10.036 1.00 50.15 C ATOM 779 CE2 PHE A 50 9.656 15.909 -9.151 1.00 31.23 C ATOM 780 CZ PHE A 50 10.725 15.563 -9.952 1.00 40.30 C ATOM 0 H PHE A 50 6.280 12.682 -10.027 1.00 43.55 H new ATOM 0 HA PHE A 50 7.990 11.428 -9.495 1.00 2.31 H new ATOM 0 HB2 PHE A 50 8.151 12.954 -6.857 1.00 20.13 H new ATOM 0 HB3 PHE A 50 9.333 11.768 -7.374 1.00 20.13 H new ATOM 0 HD1 PHE A 50 10.774 12.239 -9.398 1.00 21.30 H new ATOM 0 HD2 PHE A 50 8.142 15.211 -7.821 1.00 71.11 H new ATOM 0 HE1 PHE A 50 11.964 13.977 -10.660 1.00 50.15 H new ATOM 0 HE2 PHE A 50 9.346 16.941 -9.079 1.00 31.23 H new ATOM 0 HZ PHE A 50 11.248 16.323 -10.513 1.00 40.30 H new ATOM 790 N VAL A 51 5.657 10.437 -7.624 1.00 63.30 N ATOM 791 CA VAL A 51 5.007 9.300 -6.944 1.00 4.51 C ATOM 792 C VAL A 51 4.937 8.075 -7.890 1.00 72.53 C ATOM 793 O VAL A 51 4.457 8.186 -9.024 1.00 34.44 O ATOM 794 CB VAL A 51 3.555 9.682 -6.464 1.00 23.24 C ATOM 795 CG1 VAL A 51 2.895 8.520 -5.684 1.00 74.12 C ATOM 796 CG2 VAL A 51 3.567 10.992 -5.631 1.00 33.43 C ATOM 0 H VAL A 51 5.004 11.164 -7.916 1.00 63.30 H new ATOM 0 HA VAL A 51 5.607 9.047 -6.070 1.00 4.51 H new ATOM 0 HB VAL A 51 2.949 9.862 -7.352 1.00 23.24 H new ATOM 0 HG11 VAL A 51 1.895 8.816 -5.367 1.00 74.12 H new ATOM 0 HG12 VAL A 51 2.827 7.642 -6.327 1.00 74.12 H new ATOM 0 HG13 VAL A 51 3.497 8.282 -4.807 1.00 74.12 H new ATOM 0 HG21 VAL A 51 2.552 11.231 -5.314 1.00 33.43 H new ATOM 0 HG22 VAL A 51 4.200 10.859 -4.754 1.00 33.43 H new ATOM 0 HG23 VAL A 51 3.958 11.807 -6.240 1.00 33.43 H new ATOM 806 N VAL A 52 5.438 6.915 -7.429 1.00 11.04 N ATOM 807 CA VAL A 52 5.464 5.673 -8.235 1.00 2.33 C ATOM 808 C VAL A 52 4.616 4.553 -7.569 1.00 61.20 C ATOM 809 O VAL A 52 4.735 4.290 -6.369 1.00 2.10 O ATOM 810 CB VAL A 52 6.947 5.181 -8.506 1.00 11.04 C ATOM 811 CG1 VAL A 52 7.715 6.187 -9.403 1.00 32.42 C ATOM 812 CG2 VAL A 52 7.727 4.923 -7.197 1.00 63.34 C ATOM 0 H VAL A 52 5.834 6.808 -6.495 1.00 11.04 H new ATOM 0 HA VAL A 52 5.016 5.904 -9.201 1.00 2.33 H new ATOM 0 HB VAL A 52 6.869 4.230 -9.034 1.00 11.04 H new ATOM 0 HG11 VAL A 52 8.729 5.824 -9.572 1.00 32.42 H new ATOM 0 HG12 VAL A 52 7.201 6.288 -10.359 1.00 32.42 H new ATOM 0 HG13 VAL A 52 7.755 7.158 -8.909 1.00 32.42 H new ATOM 0 HG21 VAL A 52 8.737 4.588 -7.435 1.00 63.34 H new ATOM 0 HG22 VAL A 52 7.778 5.844 -6.616 1.00 63.34 H new ATOM 0 HG23 VAL A 52 7.218 4.155 -6.615 1.00 63.34 H new ATOM 822 N LEU A 53 3.726 3.927 -8.362 1.00 73.43 N ATOM 823 CA LEU A 53 2.878 2.801 -7.907 1.00 42.31 C ATOM 824 C LEU A 53 3.458 1.470 -8.435 1.00 25.44 C ATOM 825 O LEU A 53 3.320 1.155 -9.623 1.00 2.23 O ATOM 826 CB LEU A 53 1.413 3.001 -8.396 1.00 64.43 C ATOM 827 CG LEU A 53 0.668 4.249 -7.821 1.00 54.55 C ATOM 828 CD1 LEU A 53 -0.732 4.425 -8.458 1.00 64.11 C ATOM 829 CD2 LEU A 53 0.583 4.176 -6.279 1.00 55.21 C ATOM 0 H LEU A 53 3.572 4.185 -9.337 1.00 73.43 H new ATOM 0 HA LEU A 53 2.870 2.770 -6.817 1.00 42.31 H new ATOM 0 HB2 LEU A 53 1.420 3.075 -9.483 1.00 64.43 H new ATOM 0 HB3 LEU A 53 0.840 2.110 -8.141 1.00 64.43 H new ATOM 0 HG LEU A 53 1.250 5.132 -8.084 1.00 54.55 H new ATOM 0 HD11 LEU A 53 -1.218 5.303 -8.032 1.00 64.11 H new ATOM 0 HD12 LEU A 53 -0.628 4.555 -9.535 1.00 64.11 H new ATOM 0 HD13 LEU A 53 -1.337 3.541 -8.256 1.00 64.11 H new ATOM 0 HD21 LEU A 53 0.061 5.055 -5.901 1.00 55.21 H new ATOM 0 HD22 LEU A 53 0.040 3.277 -5.987 1.00 55.21 H new ATOM 0 HD23 LEU A 53 1.589 4.144 -5.860 1.00 55.21 H new ATOM 841 N GLU A 54 4.128 0.709 -7.551 1.00 73.15 N ATOM 842 CA GLU A 54 4.807 -0.557 -7.918 1.00 61.10 C ATOM 843 C GLU A 54 3.919 -1.768 -7.568 1.00 63.55 C ATOM 844 O GLU A 54 3.586 -1.989 -6.400 1.00 53.11 O ATOM 845 CB GLU A 54 6.180 -0.668 -7.202 1.00 64.53 C ATOM 846 CG GLU A 54 7.105 0.556 -7.385 1.00 22.12 C ATOM 847 CD GLU A 54 8.571 0.280 -6.992 1.00 23.41 C ATOM 848 OE1 GLU A 54 8.816 -0.206 -5.866 1.00 53.10 O ATOM 849 OE2 GLU A 54 9.479 0.514 -7.824 1.00 63.43 O ATOM 0 H GLU A 54 4.217 0.949 -6.564 1.00 73.15 H new ATOM 0 HA GLU A 54 4.979 -0.553 -8.994 1.00 61.10 H new ATOM 0 HB2 GLU A 54 6.007 -0.820 -6.136 1.00 64.53 H new ATOM 0 HB3 GLU A 54 6.696 -1.554 -7.571 1.00 64.53 H new ATOM 0 HG2 GLU A 54 7.070 0.876 -8.426 1.00 22.12 H new ATOM 0 HG3 GLU A 54 6.725 1.382 -6.784 1.00 22.12 H new ATOM 856 N ASN A 55 3.524 -2.537 -8.597 1.00 53.02 N ATOM 857 CA ASN A 55 2.577 -3.667 -8.461 1.00 33.24 C ATOM 858 C ASN A 55 3.153 -4.940 -9.143 1.00 43.32 C ATOM 859 O ASN A 55 3.638 -4.874 -10.275 1.00 12.34 O ATOM 860 CB ASN A 55 1.208 -3.282 -9.098 1.00 52.32 C ATOM 861 CG ASN A 55 0.648 -1.949 -8.574 1.00 63.34 C ATOM 862 OD1 ASN A 55 -0.068 -1.901 -7.578 1.00 22.51 O ATOM 863 ND2 ASN A 55 0.982 -0.853 -9.224 1.00 34.32 N ATOM 0 H ASN A 55 3.852 -2.395 -9.552 1.00 53.02 H new ATOM 0 HA ASN A 55 2.429 -3.883 -7.403 1.00 33.24 H new ATOM 0 HB2 ASN A 55 1.323 -3.220 -10.180 1.00 52.32 H new ATOM 0 HB3 ASN A 55 0.487 -4.075 -8.899 1.00 52.32 H new ATOM 0 HD21 ASN A 55 0.645 0.054 -8.901 1.00 34.32 H new ATOM 0 HD22 ASN A 55 1.578 -0.911 -10.050 1.00 34.32 H new ATOM 870 N GLU A 56 3.077 -6.095 -8.449 1.00 64.51 N ATOM 871 CA GLU A 56 3.600 -7.391 -8.948 1.00 33.42 C ATOM 872 C GLU A 56 2.790 -8.568 -8.336 1.00 75.32 C ATOM 873 O GLU A 56 3.050 -8.990 -7.202 1.00 14.31 O ATOM 874 CB GLU A 56 5.115 -7.542 -8.612 1.00 44.32 C ATOM 875 CG GLU A 56 5.745 -8.882 -9.063 1.00 33.23 C ATOM 876 CD GLU A 56 7.213 -9.041 -8.630 1.00 74.42 C ATOM 877 OE1 GLU A 56 7.462 -9.201 -7.416 1.00 10.42 O ATOM 878 OE2 GLU A 56 8.121 -9.004 -9.491 1.00 23.53 O ATOM 0 H GLU A 56 2.651 -6.159 -7.524 1.00 64.51 H new ATOM 0 HA GLU A 56 3.487 -7.413 -10.032 1.00 33.42 H new ATOM 0 HB2 GLU A 56 5.661 -6.723 -9.081 1.00 44.32 H new ATOM 0 HB3 GLU A 56 5.247 -7.438 -7.535 1.00 44.32 H new ATOM 0 HG2 GLU A 56 5.161 -9.706 -8.653 1.00 33.23 H new ATOM 0 HG3 GLU A 56 5.684 -8.957 -10.149 1.00 33.23 H new ATOM 885 N GLY A 57 1.781 -9.057 -9.092 1.00 72.10 N ATOM 886 CA GLY A 57 0.894 -10.148 -8.649 1.00 54.31 C ATOM 887 C GLY A 57 0.095 -9.825 -7.366 1.00 74.42 C ATOM 888 O GLY A 57 -0.753 -8.920 -7.389 1.00 75.25 O ATOM 0 H GLY A 57 1.562 -8.705 -10.024 1.00 72.10 H new ATOM 0 HA2 GLY A 57 0.194 -10.382 -9.451 1.00 54.31 H new ATOM 0 HA3 GLY A 57 1.493 -11.042 -8.477 1.00 54.31 H new ATOM 892 N PRO A 58 0.348 -10.533 -6.218 1.00 44.32 N ATOM 893 CA PRO A 58 -0.284 -10.208 -4.916 1.00 24.32 C ATOM 894 C PRO A 58 0.445 -9.080 -4.122 1.00 45.24 C ATOM 895 O PRO A 58 -0.091 -8.573 -3.133 1.00 51.22 O ATOM 896 CB PRO A 58 -0.220 -11.566 -4.181 1.00 63.12 C ATOM 897 CG PRO A 58 1.057 -12.189 -4.665 1.00 52.52 C ATOM 898 CD PRO A 58 1.230 -11.731 -6.107 1.00 11.31 C ATOM 0 HA PRO A 58 -1.290 -9.805 -5.031 1.00 24.32 H new ATOM 0 HB2 PRO A 58 -0.213 -11.433 -3.099 1.00 63.12 H new ATOM 0 HB3 PRO A 58 -1.082 -12.189 -4.420 1.00 63.12 H new ATOM 0 HG2 PRO A 58 1.901 -11.874 -4.052 1.00 52.52 H new ATOM 0 HG3 PRO A 58 1.008 -13.276 -4.605 1.00 52.52 H new ATOM 0 HD2 PRO A 58 2.269 -11.482 -6.324 1.00 11.31 H new ATOM 0 HD3 PRO A 58 0.935 -12.510 -6.810 1.00 11.31 H new ATOM 906 N HIS A 59 1.655 -8.686 -4.573 1.00 13.25 N ATOM 907 CA HIS A 59 2.485 -7.658 -3.891 1.00 65.41 C ATOM 908 C HIS A 59 2.145 -6.253 -4.435 1.00 45.35 C ATOM 909 O HIS A 59 2.304 -5.995 -5.625 1.00 53.24 O ATOM 910 CB HIS A 59 3.994 -7.930 -4.108 1.00 61.13 C ATOM 911 CG HIS A 59 4.441 -9.319 -3.760 1.00 13.32 C ATOM 912 ND1 HIS A 59 5.134 -9.633 -2.617 1.00 35.25 N ATOM 913 CD2 HIS A 59 4.321 -10.474 -4.443 1.00 23.00 C ATOM 914 CE1 HIS A 59 5.428 -10.914 -2.620 1.00 70.41 C ATOM 915 NE2 HIS A 59 4.945 -11.451 -3.714 1.00 51.44 N ATOM 0 H HIS A 59 2.086 -9.067 -5.415 1.00 13.25 H new ATOM 0 HA HIS A 59 2.265 -7.706 -2.824 1.00 65.41 H new ATOM 0 HB2 HIS A 59 4.237 -7.737 -5.153 1.00 61.13 H new ATOM 0 HB3 HIS A 59 4.566 -7.220 -3.511 1.00 61.13 H new ATOM 0 HD2 HIS A 59 3.823 -10.605 -5.392 1.00 23.00 H new ATOM 0 HE1 HIS A 59 5.976 -11.437 -1.850 1.00 70.41 H new ATOM 0 HE2 HIS A 59 5.021 -12.433 -3.978 1.00 51.44 H new ATOM 924 N ARG A 60 1.673 -5.361 -3.561 1.00 53.51 N ATOM 925 CA ARG A 60 1.278 -3.983 -3.929 1.00 23.15 C ATOM 926 C ARG A 60 1.984 -2.976 -2.998 1.00 60.54 C ATOM 927 O ARG A 60 1.876 -3.091 -1.783 1.00 4.22 O ATOM 928 CB ARG A 60 -0.264 -3.843 -3.801 1.00 60.34 C ATOM 929 CG ARG A 60 -1.083 -4.842 -4.654 1.00 42.51 C ATOM 930 CD ARG A 60 -0.836 -4.662 -6.162 1.00 63.23 C ATOM 931 NE ARG A 60 -1.830 -5.365 -7.007 1.00 34.31 N ATOM 932 CZ ARG A 60 -2.441 -4.835 -8.051 1.00 1.12 C ATOM 933 NH1 ARG A 60 -2.300 -3.579 -8.347 1.00 51.43 N ATOM 934 NH2 ARG A 60 -3.216 -5.555 -8.783 1.00 61.32 N ATOM 0 H ARG A 60 1.550 -5.568 -2.570 1.00 53.51 H new ATOM 0 HA ARG A 60 1.573 -3.776 -4.958 1.00 23.15 H new ATOM 0 HB2 ARG A 60 -0.540 -3.970 -2.754 1.00 60.34 H new ATOM 0 HB3 ARG A 60 -0.547 -2.829 -4.084 1.00 60.34 H new ATOM 0 HG2 ARG A 60 -0.824 -5.861 -4.365 1.00 42.51 H new ATOM 0 HG3 ARG A 60 -2.144 -4.711 -4.444 1.00 42.51 H new ATOM 0 HD2 ARG A 60 -0.853 -3.599 -6.401 1.00 63.23 H new ATOM 0 HD3 ARG A 60 0.161 -5.028 -6.406 1.00 63.23 H new ATOM 0 HE ARG A 60 -2.059 -6.329 -6.764 1.00 34.31 H new ATOM 0 HH11 ARG A 60 -1.709 -2.982 -7.769 1.00 51.43 H new ATOM 0 HH12 ARG A 60 -2.781 -3.189 -9.158 1.00 51.43 H new ATOM 0 HH21 ARG A 60 -3.361 -6.539 -8.558 1.00 61.32 H new ATOM 0 HH22 ARG A 60 -3.686 -5.142 -9.588 1.00 61.32 H new ATOM 948 N ARG A 61 2.709 -1.996 -3.558 1.00 42.42 N ATOM 949 CA ARG A 61 3.430 -0.984 -2.749 1.00 15.44 C ATOM 950 C ARG A 61 3.396 0.422 -3.393 1.00 53.44 C ATOM 951 O ARG A 61 3.801 0.616 -4.543 1.00 10.43 O ATOM 952 CB ARG A 61 4.893 -1.436 -2.444 1.00 2.12 C ATOM 953 CG ARG A 61 5.690 -1.973 -3.655 1.00 64.13 C ATOM 954 CD ARG A 61 7.133 -2.369 -3.284 1.00 40.25 C ATOM 955 NE ARG A 61 7.187 -3.236 -2.082 1.00 71.25 N ATOM 956 CZ ARG A 61 7.169 -4.557 -2.071 1.00 22.24 C ATOM 957 NH1 ARG A 61 7.110 -5.249 -3.170 1.00 14.55 N ATOM 958 NH2 ARG A 61 7.211 -5.178 -0.940 1.00 0.51 N ATOM 0 H ARG A 61 2.816 -1.877 -4.565 1.00 42.42 H new ATOM 0 HA ARG A 61 2.899 -0.906 -1.800 1.00 15.44 H new ATOM 0 HB2 ARG A 61 5.435 -0.590 -2.021 1.00 2.12 H new ATOM 0 HB3 ARG A 61 4.863 -2.211 -1.678 1.00 2.12 H new ATOM 0 HG2 ARG A 61 5.174 -2.839 -4.070 1.00 64.13 H new ATOM 0 HG3 ARG A 61 5.715 -1.213 -4.436 1.00 64.13 H new ATOM 0 HD2 ARG A 61 7.593 -2.888 -4.125 1.00 40.25 H new ATOM 0 HD3 ARG A 61 7.720 -1.468 -3.106 1.00 40.25 H new ATOM 0 HE ARG A 61 7.243 -2.768 -1.178 1.00 71.25 H new ATOM 0 HH11 ARG A 61 7.076 -4.773 -4.071 1.00 14.55 H new ATOM 0 HH12 ARG A 61 7.098 -6.268 -3.131 1.00 14.55 H new ATOM 0 HH21 ARG A 61 7.257 -4.649 -0.069 1.00 0.51 H new ATOM 0 HH22 ARG A 61 7.198 -6.198 -0.917 1.00 0.51 H new ATOM 972 N LEU A 62 2.871 1.384 -2.620 1.00 74.32 N ATOM 973 CA LEU A 62 2.899 2.820 -2.942 1.00 43.33 C ATOM 974 C LEU A 62 4.249 3.391 -2.467 1.00 44.13 C ATOM 975 O LEU A 62 4.499 3.499 -1.260 1.00 11.32 O ATOM 976 CB LEU A 62 1.686 3.509 -2.244 1.00 42.31 C ATOM 977 CG LEU A 62 1.317 4.982 -2.647 1.00 14.21 C ATOM 978 CD1 LEU A 62 -0.103 5.335 -2.158 1.00 5.50 C ATOM 979 CD2 LEU A 62 2.315 6.026 -2.107 1.00 63.12 C ATOM 0 H LEU A 62 2.405 1.182 -1.735 1.00 74.32 H new ATOM 0 HA LEU A 62 2.812 3.000 -4.014 1.00 43.33 H new ATOM 0 HB2 LEU A 62 0.807 2.889 -2.421 1.00 42.31 H new ATOM 0 HB3 LEU A 62 1.873 3.498 -1.170 1.00 42.31 H new ATOM 0 HG LEU A 62 1.362 5.019 -3.735 1.00 14.21 H new ATOM 0 HD11 LEU A 62 -0.343 6.359 -2.445 1.00 5.50 H new ATOM 0 HD12 LEU A 62 -0.823 4.653 -2.610 1.00 5.50 H new ATOM 0 HD13 LEU A 62 -0.147 5.243 -1.073 1.00 5.50 H new ATOM 0 HD21 LEU A 62 2.004 7.023 -2.420 1.00 63.12 H new ATOM 0 HD22 LEU A 62 2.338 5.978 -1.018 1.00 63.12 H new ATOM 0 HD23 LEU A 62 3.310 5.816 -2.500 1.00 63.12 H new ATOM 991 N VAL A 63 5.124 3.731 -3.416 1.00 31.34 N ATOM 992 CA VAL A 63 6.496 4.176 -3.106 1.00 54.31 C ATOM 993 C VAL A 63 6.684 5.687 -3.401 1.00 11.42 C ATOM 994 O VAL A 63 6.294 6.198 -4.457 1.00 22.41 O ATOM 995 CB VAL A 63 7.550 3.320 -3.899 1.00 50.11 C ATOM 996 CG1 VAL A 63 9.007 3.706 -3.533 1.00 40.51 C ATOM 997 CG2 VAL A 63 7.305 1.804 -3.693 1.00 12.31 C ATOM 0 H VAL A 63 4.910 3.708 -4.413 1.00 31.34 H new ATOM 0 HA VAL A 63 6.659 4.025 -2.039 1.00 54.31 H new ATOM 0 HB VAL A 63 7.416 3.544 -4.957 1.00 50.11 H new ATOM 0 HG11 VAL A 63 9.701 3.090 -4.104 1.00 40.51 H new ATOM 0 HG12 VAL A 63 9.175 4.757 -3.770 1.00 40.51 H new ATOM 0 HG13 VAL A 63 9.170 3.543 -2.468 1.00 40.51 H new ATOM 0 HG21 VAL A 63 8.048 1.236 -4.253 1.00 12.31 H new ATOM 0 HG22 VAL A 63 7.387 1.563 -2.633 1.00 12.31 H new ATOM 0 HG23 VAL A 63 6.308 1.545 -4.048 1.00 12.31 H new ATOM 1007 N LEU A 64 7.286 6.382 -2.427 1.00 4.32 N ATOM 1008 CA LEU A 64 7.653 7.805 -2.512 1.00 10.44 C ATOM 1009 C LEU A 64 9.189 7.959 -2.389 1.00 15.43 C ATOM 1010 O LEU A 64 9.753 7.595 -1.354 1.00 3.22 O ATOM 1011 CB LEU A 64 6.915 8.643 -1.401 1.00 10.23 C ATOM 1012 CG LEU A 64 5.736 9.540 -1.890 1.00 1.20 C ATOM 1013 CD1 LEU A 64 6.213 10.552 -2.950 1.00 11.12 C ATOM 1014 CD2 LEU A 64 4.563 8.698 -2.408 1.00 24.21 C ATOM 0 H LEU A 64 7.539 5.960 -1.533 1.00 4.32 H new ATOM 0 HA LEU A 64 7.338 8.191 -3.481 1.00 10.44 H new ATOM 0 HB2 LEU A 64 6.533 7.954 -0.648 1.00 10.23 H new ATOM 0 HB3 LEU A 64 7.649 9.280 -0.907 1.00 10.23 H new ATOM 0 HG LEU A 64 5.373 10.104 -1.031 1.00 1.20 H new ATOM 0 HD11 LEU A 64 5.371 11.164 -3.273 1.00 11.12 H new ATOM 0 HD12 LEU A 64 6.984 11.192 -2.521 1.00 11.12 H new ATOM 0 HD13 LEU A 64 6.622 10.016 -3.807 1.00 11.12 H new ATOM 0 HD21 LEU A 64 3.761 9.357 -2.740 1.00 24.21 H new ATOM 0 HD22 LEU A 64 4.897 8.084 -3.244 1.00 24.21 H new ATOM 0 HD23 LEU A 64 4.196 8.054 -1.609 1.00 24.21 H new ATOM 1026 N PRO A 65 9.890 8.472 -3.450 1.00 72.11 N ATOM 1027 CA PRO A 65 11.324 8.867 -3.348 1.00 34.24 C ATOM 1028 C PRO A 65 11.536 10.067 -2.374 1.00 4.43 C ATOM 1029 O PRO A 65 12.450 10.058 -1.546 1.00 51.40 O ATOM 1030 CB PRO A 65 11.699 9.229 -4.813 1.00 51.43 C ATOM 1031 CG PRO A 65 10.393 9.551 -5.484 1.00 62.12 C ATOM 1032 CD PRO A 65 9.367 8.649 -4.835 1.00 65.23 C ATOM 0 HA PRO A 65 11.951 8.077 -2.934 1.00 34.24 H new ATOM 0 HB2 PRO A 65 12.380 10.080 -4.847 1.00 51.43 H new ATOM 0 HB3 PRO A 65 12.202 8.398 -5.308 1.00 51.43 H new ATOM 0 HG2 PRO A 65 10.132 10.601 -5.350 1.00 62.12 H new ATOM 0 HG3 PRO A 65 10.449 9.371 -6.558 1.00 62.12 H new ATOM 0 HD2 PRO A 65 8.376 9.102 -4.835 1.00 65.23 H new ATOM 0 HD3 PRO A 65 9.282 7.696 -5.357 1.00 65.23 H new ATOM 1040 N ALA A 66 10.691 11.099 -2.513 1.00 53.21 N ATOM 1041 CA ALA A 66 10.610 12.238 -1.571 1.00 13.11 C ATOM 1042 C ALA A 66 9.136 12.402 -1.147 1.00 43.14 C ATOM 1043 O ALA A 66 8.306 12.775 -1.971 1.00 13.25 O ATOM 1044 CB ALA A 66 11.163 13.524 -2.218 1.00 21.53 C ATOM 0 H ALA A 66 10.034 11.172 -3.290 1.00 53.21 H new ATOM 0 HA ALA A 66 11.222 12.045 -0.690 1.00 13.11 H new ATOM 0 HB1 ALA A 66 11.093 14.348 -1.508 1.00 21.53 H new ATOM 0 HB2 ALA A 66 12.206 13.372 -2.496 1.00 21.53 H new ATOM 0 HB3 ALA A 66 10.581 13.763 -3.108 1.00 21.53 H new ATOM 1050 N THR A 67 8.831 12.098 0.133 1.00 35.33 N ATOM 1051 CA THR A 67 7.433 11.952 0.643 1.00 32.22 C ATOM 1052 C THR A 67 6.585 13.234 0.466 1.00 61.51 C ATOM 1053 O THR A 67 5.395 13.158 0.148 1.00 54.00 O ATOM 1054 CB THR A 67 7.415 11.517 2.149 1.00 54.12 C ATOM 1055 OG1 THR A 67 8.350 10.446 2.345 1.00 10.04 O ATOM 1056 CG2 THR A 67 6.018 11.043 2.609 1.00 34.24 C ATOM 0 H THR A 67 9.541 11.945 0.849 1.00 35.33 H new ATOM 0 HA THR A 67 6.980 11.170 0.034 1.00 32.22 H new ATOM 0 HB THR A 67 7.687 12.390 2.742 1.00 54.12 H new ATOM 0 HG1 THR A 67 8.821 10.575 3.195 1.00 10.04 H new ATOM 0 HG21 THR A 67 6.060 10.753 3.659 1.00 34.24 H new ATOM 0 HG22 THR A 67 5.300 11.853 2.485 1.00 34.24 H new ATOM 0 HG23 THR A 67 5.708 10.188 2.008 1.00 34.24 H new ATOM 1064 N GLN A 68 7.229 14.406 0.687 1.00 14.33 N ATOM 1065 CA GLN A 68 6.619 15.756 0.491 1.00 40.12 C ATOM 1066 C GLN A 68 5.483 16.057 1.525 1.00 23.30 C ATOM 1067 O GLN A 68 4.977 15.143 2.183 1.00 60.23 O ATOM 1068 CB GLN A 68 6.100 15.896 -0.984 1.00 44.34 C ATOM 1069 CG GLN A 68 7.197 15.778 -2.075 1.00 14.22 C ATOM 1070 CD GLN A 68 6.675 15.415 -3.478 1.00 55.40 C ATOM 1071 OE1 GLN A 68 5.667 14.553 -3.560 1.00 62.44 O flip ATOM 1072 NE2 GLN A 68 7.220 15.855 -4.489 1.00 30.43 N flip ATOM 0 H GLN A 68 8.196 14.447 1.009 1.00 14.33 H new ATOM 0 HA GLN A 68 7.395 16.501 0.668 1.00 40.12 H new ATOM 0 HB2 GLN A 68 5.346 15.130 -1.163 1.00 44.34 H new ATOM 0 HB3 GLN A 68 5.605 16.861 -1.090 1.00 44.34 H new ATOM 0 HG2 GLN A 68 7.733 16.725 -2.136 1.00 14.22 H new ATOM 0 HG3 GLN A 68 7.919 15.023 -1.764 1.00 14.22 H new ATOM 0 HE21 GLN A 68 7.992 16.516 -4.405 1.00 30.43 H new ATOM 0 HE22 GLN A 68 6.900 15.559 -5.411 1.00 30.43 H new ATOM 1081 N PRO A 69 5.066 17.362 1.704 1.00 71.53 N ATOM 1082 CA PRO A 69 3.793 17.690 2.404 1.00 34.34 C ATOM 1083 C PRO A 69 2.559 17.225 1.580 1.00 70.12 C ATOM 1084 O PRO A 69 1.456 17.088 2.119 1.00 1.24 O ATOM 1085 CB PRO A 69 3.852 19.236 2.564 1.00 71.22 C ATOM 1086 CG PRO A 69 4.771 19.695 1.471 1.00 4.02 C ATOM 1087 CD PRO A 69 5.803 18.596 1.315 1.00 45.54 C ATOM 0 HA PRO A 69 3.687 17.183 3.363 1.00 34.34 H new ATOM 0 HB2 PRO A 69 2.863 19.683 2.464 1.00 71.22 H new ATOM 0 HB3 PRO A 69 4.232 19.519 3.546 1.00 71.22 H new ATOM 0 HG2 PRO A 69 4.225 19.854 0.541 1.00 4.02 H new ATOM 0 HG3 PRO A 69 5.244 20.643 1.729 1.00 4.02 H new ATOM 0 HD2 PRO A 69 6.172 18.536 0.291 1.00 45.54 H new ATOM 0 HD3 PRO A 69 6.668 18.765 1.956 1.00 45.54 H new ATOM 1095 N SER A 70 2.791 16.985 0.267 1.00 5.54 N ATOM 1096 CA SER A 70 1.818 16.369 -0.658 1.00 55.43 C ATOM 1097 C SER A 70 1.253 15.033 -0.108 1.00 20.24 C ATOM 1098 O SER A 70 0.074 14.953 0.230 1.00 41.42 O ATOM 1099 CB SER A 70 2.488 16.139 -2.040 1.00 64.33 C ATOM 1100 OG SER A 70 1.700 15.318 -2.897 1.00 45.33 O ATOM 0 H SER A 70 3.676 17.219 -0.184 1.00 5.54 H new ATOM 0 HA SER A 70 0.977 17.055 -0.763 1.00 55.43 H new ATOM 0 HB2 SER A 70 2.660 17.102 -2.522 1.00 64.33 H new ATOM 0 HB3 SER A 70 3.464 15.676 -1.895 1.00 64.33 H new ATOM 0 HG SER A 70 2.048 14.402 -2.883 1.00 45.33 H new ATOM 1106 N ASP A 71 2.126 14.011 0.041 1.00 22.14 N ATOM 1107 CA ASP A 71 1.706 12.610 0.331 1.00 31.22 C ATOM 1108 C ASP A 71 1.664 12.295 1.851 1.00 51.54 C ATOM 1109 O ASP A 71 1.772 11.134 2.266 1.00 73.34 O ATOM 1110 CB ASP A 71 2.635 11.636 -0.435 1.00 71.35 C ATOM 1111 CG ASP A 71 2.595 11.898 -1.949 1.00 1.22 C ATOM 1112 OD1 ASP A 71 3.374 12.750 -2.440 1.00 11.21 O ATOM 1113 OD2 ASP A 71 1.735 11.302 -2.639 1.00 24.25 O ATOM 0 H ASP A 71 3.137 14.127 -0.035 1.00 22.14 H new ATOM 0 HA ASP A 71 0.681 12.481 -0.017 1.00 31.22 H new ATOM 0 HB2 ASP A 71 3.657 11.744 -0.072 1.00 71.35 H new ATOM 0 HB3 ASP A 71 2.333 10.608 -0.234 1.00 71.35 H new ATOM 1118 N GLY A 72 1.472 13.339 2.672 1.00 53.21 N ATOM 1119 CA GLY A 72 1.239 13.183 4.113 1.00 53.22 C ATOM 1120 C GLY A 72 -0.249 13.233 4.449 1.00 21.44 C ATOM 1121 O GLY A 72 -0.776 14.293 4.807 1.00 52.45 O ATOM 0 H GLY A 72 1.474 14.309 2.356 1.00 53.21 H new ATOM 0 HA2 GLY A 72 1.657 12.234 4.449 1.00 53.22 H new ATOM 0 HA3 GLY A 72 1.762 13.971 4.654 1.00 53.22 H new ATOM 1125 N GLY A 73 -0.937 12.087 4.291 1.00 35.24 N ATOM 1126 CA GLY A 73 -2.380 12.003 4.554 1.00 44.13 C ATOM 1127 C GLY A 73 -2.893 10.574 4.733 1.00 50.32 C ATOM 1128 O GLY A 73 -2.189 9.712 5.263 1.00 22.45 O ATOM 0 H GLY A 73 -0.516 11.211 3.983 1.00 35.24 H new ATOM 0 HA2 GLY A 73 -2.610 12.577 5.452 1.00 44.13 H new ATOM 0 HA3 GLY A 73 -2.918 12.471 3.730 1.00 44.13 H new ATOM 1132 N GLU A 74 -4.131 10.329 4.273 1.00 34.42 N ATOM 1133 CA GLU A 74 -4.849 9.046 4.462 1.00 12.34 C ATOM 1134 C GLU A 74 -4.957 8.261 3.133 1.00 11.22 C ATOM 1135 O GLU A 74 -5.319 8.818 2.089 1.00 11.41 O ATOM 1136 CB GLU A 74 -6.253 9.327 5.058 1.00 51.03 C ATOM 1137 CG GLU A 74 -6.207 9.997 6.450 1.00 63.11 C ATOM 1138 CD GLU A 74 -7.581 10.474 6.947 1.00 64.41 C ATOM 1139 OE1 GLU A 74 -8.331 9.664 7.529 1.00 23.03 O ATOM 1140 OE2 GLU A 74 -7.917 11.663 6.744 1.00 1.30 O ATOM 0 H GLU A 74 -4.672 11.020 3.753 1.00 34.42 H new ATOM 0 HA GLU A 74 -4.283 8.424 5.156 1.00 12.34 H new ATOM 0 HB2 GLU A 74 -6.809 9.968 4.373 1.00 51.03 H new ATOM 0 HB3 GLU A 74 -6.802 8.388 5.133 1.00 51.03 H new ATOM 0 HG2 GLU A 74 -5.794 9.291 7.171 1.00 63.11 H new ATOM 0 HG3 GLU A 74 -5.528 10.848 6.412 1.00 63.11 H new ATOM 1147 N PHE A 75 -4.648 6.953 3.200 1.00 51.33 N ATOM 1148 CA PHE A 75 -4.558 6.053 2.030 1.00 34.15 C ATOM 1149 C PHE A 75 -5.440 4.796 2.233 1.00 71.04 C ATOM 1150 O PHE A 75 -5.606 4.322 3.362 1.00 23.35 O ATOM 1151 CB PHE A 75 -3.076 5.635 1.808 1.00 51.54 C ATOM 1152 CG PHE A 75 -2.115 6.808 1.580 1.00 52.13 C ATOM 1153 CD1 PHE A 75 -1.515 7.475 2.653 1.00 71.14 C ATOM 1154 CD2 PHE A 75 -1.813 7.242 0.294 1.00 41.34 C ATOM 1155 CE1 PHE A 75 -0.651 8.535 2.437 1.00 64.54 C ATOM 1156 CE2 PHE A 75 -0.947 8.297 0.083 1.00 44.12 C ATOM 1157 CZ PHE A 75 -0.368 8.944 1.152 1.00 33.44 C ATOM 0 H PHE A 75 -4.450 6.482 4.083 1.00 51.33 H new ATOM 0 HA PHE A 75 -4.922 6.585 1.151 1.00 34.15 H new ATOM 0 HB2 PHE A 75 -2.738 5.067 2.675 1.00 51.54 H new ATOM 0 HB3 PHE A 75 -3.024 4.966 0.949 1.00 51.54 H new ATOM 0 HD1 PHE A 75 -1.729 7.159 3.663 1.00 71.14 H new ATOM 0 HD2 PHE A 75 -2.263 6.746 -0.553 1.00 41.34 H new ATOM 0 HE1 PHE A 75 -0.198 9.042 3.276 1.00 64.54 H new ATOM 0 HE2 PHE A 75 -0.723 8.616 -0.924 1.00 44.12 H new ATOM 0 HZ PHE A 75 0.307 9.770 0.983 1.00 33.44 H new ATOM 1167 N GLN A 76 -5.986 4.257 1.125 1.00 64.22 N ATOM 1168 CA GLN A 76 -6.876 3.065 1.146 1.00 72.03 C ATOM 1169 C GLN A 76 -6.556 2.108 -0.032 1.00 74.30 C ATOM 1170 O GLN A 76 -6.327 2.561 -1.151 1.00 70.11 O ATOM 1171 CB GLN A 76 -8.357 3.525 1.095 1.00 52.44 C ATOM 1172 CG GLN A 76 -9.390 2.386 1.190 1.00 12.41 C ATOM 1173 CD GLN A 76 -10.837 2.878 1.081 1.00 74.10 C ATOM 1174 OE1 GLN A 76 -11.344 2.974 -0.130 1.00 10.11 O flip ATOM 1175 NE2 GLN A 76 -11.488 3.181 2.074 1.00 53.20 N flip ATOM 0 H GLN A 76 -5.827 4.630 0.189 1.00 64.22 H new ATOM 0 HA GLN A 76 -6.704 2.514 2.071 1.00 72.03 H new ATOM 0 HB2 GLN A 76 -8.534 4.226 1.911 1.00 52.44 H new ATOM 0 HB3 GLN A 76 -8.522 4.070 0.165 1.00 52.44 H new ATOM 0 HG2 GLN A 76 -9.198 1.662 0.398 1.00 12.41 H new ATOM 0 HG3 GLN A 76 -9.260 1.864 2.138 1.00 12.41 H new ATOM 0 HE21 GLN A 76 -11.072 3.098 3.002 1.00 53.20 H new ATOM 0 HE22 GLN A 76 -12.446 3.517 1.973 1.00 53.20 H new ATOM 1184 N CYS A 77 -6.563 0.779 0.233 1.00 24.35 N ATOM 1185 CA CYS A 77 -6.232 -0.261 -0.782 1.00 4.42 C ATOM 1186 C CYS A 77 -7.400 -1.263 -0.953 1.00 64.43 C ATOM 1187 O CYS A 77 -7.525 -2.208 -0.167 1.00 11.33 O ATOM 1188 CB CYS A 77 -4.959 -1.022 -0.346 1.00 21.12 C ATOM 1189 SG CYS A 77 -3.602 0.046 0.144 1.00 54.43 S ATOM 0 H CYS A 77 -6.796 0.396 1.149 1.00 24.35 H new ATOM 0 HA CYS A 77 -6.061 0.234 -1.738 1.00 4.42 H new ATOM 0 HB2 CYS A 77 -5.209 -1.680 0.486 1.00 21.12 H new ATOM 0 HB3 CYS A 77 -4.629 -1.658 -1.167 1.00 21.12 H new ATOM 0 HG CYS A 77 -3.022 0.525 -0.916 1.00 54.43 H new ATOM 1195 N VAL A 78 -8.247 -1.063 -1.982 1.00 15.23 N ATOM 1196 CA VAL A 78 -9.428 -1.935 -2.230 1.00 70.34 C ATOM 1197 C VAL A 78 -9.094 -3.056 -3.250 1.00 62.02 C ATOM 1198 O VAL A 78 -9.015 -2.801 -4.455 1.00 41.31 O ATOM 1199 CB VAL A 78 -10.666 -1.101 -2.741 1.00 62.32 C ATOM 1200 CG1 VAL A 78 -11.897 -2.010 -3.007 1.00 3.41 C ATOM 1201 CG2 VAL A 78 -11.017 0.028 -1.743 1.00 41.23 C ATOM 0 H VAL A 78 -8.141 -0.307 -2.659 1.00 15.23 H new ATOM 0 HA VAL A 78 -9.690 -2.394 -1.277 1.00 70.34 H new ATOM 0 HB VAL A 78 -10.387 -0.644 -3.690 1.00 62.32 H new ATOM 0 HG11 VAL A 78 -12.730 -1.401 -3.358 1.00 3.41 H new ATOM 0 HG12 VAL A 78 -11.645 -2.751 -3.766 1.00 3.41 H new ATOM 0 HG13 VAL A 78 -12.181 -2.517 -2.085 1.00 3.41 H new ATOM 0 HG21 VAL A 78 -11.873 0.590 -2.116 1.00 41.23 H new ATOM 0 HG22 VAL A 78 -11.262 -0.406 -0.774 1.00 41.23 H new ATOM 0 HG23 VAL A 78 -10.163 0.697 -1.635 1.00 41.23 H new ATOM 1211 N ALA A 79 -8.893 -4.291 -2.752 1.00 12.45 N ATOM 1212 CA ALA A 79 -8.632 -5.482 -3.610 1.00 4.42 C ATOM 1213 C ALA A 79 -9.941 -6.062 -4.197 1.00 72.31 C ATOM 1214 O ALA A 79 -9.959 -6.587 -5.320 1.00 32.42 O ATOM 1215 CB ALA A 79 -7.885 -6.553 -2.804 1.00 34.23 C ATOM 0 H ALA A 79 -8.905 -4.499 -1.754 1.00 12.45 H new ATOM 0 HA ALA A 79 -8.012 -5.164 -4.448 1.00 4.42 H new ATOM 0 HB1 ALA A 79 -7.698 -7.420 -3.437 1.00 34.23 H new ATOM 0 HB2 ALA A 79 -6.936 -6.148 -2.453 1.00 34.23 H new ATOM 0 HB3 ALA A 79 -8.490 -6.852 -1.948 1.00 34.23 H new ATOM 1221 N GLY A 80 -11.021 -5.961 -3.409 1.00 61.24 N ATOM 1222 CA GLY A 80 -12.347 -6.444 -3.813 1.00 15.53 C ATOM 1223 C GLY A 80 -13.443 -5.875 -2.915 1.00 30.24 C ATOM 1224 O GLY A 80 -13.843 -4.718 -3.075 1.00 12.11 O ATOM 0 H GLY A 80 -10.999 -5.544 -2.478 1.00 61.24 H new ATOM 0 HA2 GLY A 80 -12.539 -6.162 -4.848 1.00 15.53 H new ATOM 0 HA3 GLY A 80 -12.368 -7.533 -3.770 1.00 15.53 H new ATOM 1228 N ASP A 81 -13.931 -6.686 -1.963 1.00 53.44 N ATOM 1229 CA ASP A 81 -14.869 -6.221 -0.917 1.00 42.02 C ATOM 1230 C ASP A 81 -14.093 -5.687 0.323 1.00 75.31 C ATOM 1231 O ASP A 81 -14.619 -4.884 1.100 1.00 42.11 O ATOM 1232 CB ASP A 81 -15.834 -7.373 -0.525 1.00 25.33 C ATOM 1233 CG ASP A 81 -16.942 -6.938 0.456 1.00 33.24 C ATOM 1234 OD1 ASP A 81 -17.782 -6.094 0.077 1.00 54.30 O ATOM 1235 OD2 ASP A 81 -16.967 -7.418 1.605 1.00 5.14 O ATOM 0 H ASP A 81 -13.692 -7.675 -1.892 1.00 53.44 H new ATOM 0 HA ASP A 81 -15.460 -5.395 -1.313 1.00 42.02 H new ATOM 0 HB2 ASP A 81 -16.295 -7.773 -1.428 1.00 25.33 H new ATOM 0 HB3 ASP A 81 -15.258 -8.182 -0.075 1.00 25.33 H new ATOM 1240 N GLU A 82 -12.828 -6.124 0.475 1.00 24.34 N ATOM 1241 CA GLU A 82 -11.953 -5.727 1.605 1.00 31.10 C ATOM 1242 C GLU A 82 -11.017 -4.549 1.211 1.00 64.30 C ATOM 1243 O GLU A 82 -10.598 -4.436 0.048 1.00 54.40 O ATOM 1244 CB GLU A 82 -11.124 -6.958 2.080 1.00 55.41 C ATOM 1245 CG GLU A 82 -10.266 -6.726 3.349 1.00 32.03 C ATOM 1246 CD GLU A 82 -11.094 -6.310 4.580 1.00 53.02 C ATOM 1247 OE1 GLU A 82 -11.711 -7.187 5.215 1.00 42.44 O ATOM 1248 OE2 GLU A 82 -11.164 -5.105 4.893 1.00 20.31 O ATOM 0 H GLU A 82 -12.379 -6.763 -0.181 1.00 24.34 H new ATOM 0 HA GLU A 82 -12.581 -5.380 2.425 1.00 31.10 H new ATOM 0 HB2 GLU A 82 -11.808 -7.785 2.270 1.00 55.41 H new ATOM 0 HB3 GLU A 82 -10.466 -7.268 1.268 1.00 55.41 H new ATOM 0 HG2 GLU A 82 -9.719 -7.640 3.580 1.00 32.03 H new ATOM 0 HG3 GLU A 82 -9.525 -5.954 3.141 1.00 32.03 H new ATOM 1255 N CYS A 83 -10.686 -3.691 2.200 1.00 45.43 N ATOM 1256 CA CYS A 83 -9.808 -2.512 2.010 1.00 63.22 C ATOM 1257 C CYS A 83 -8.837 -2.322 3.202 1.00 64.30 C ATOM 1258 O CYS A 83 -9.241 -2.415 4.366 1.00 24.44 O ATOM 1259 CB CYS A 83 -10.657 -1.236 1.822 1.00 74.32 C ATOM 1260 SG CYS A 83 -11.800 -0.888 3.181 1.00 30.21 S ATOM 0 H CYS A 83 -11.021 -3.796 3.158 1.00 45.43 H new ATOM 0 HA CYS A 83 -9.213 -2.689 1.114 1.00 63.22 H new ATOM 0 HB2 CYS A 83 -9.988 -0.384 1.700 1.00 74.32 H new ATOM 0 HB3 CYS A 83 -11.228 -1.328 0.898 1.00 74.32 H new ATOM 0 HG CYS A 83 -11.139 -0.404 4.190 1.00 30.21 H new ATOM 1266 N ALA A 84 -7.556 -2.046 2.891 1.00 33.40 N ATOM 1267 CA ALA A 84 -6.511 -1.737 3.903 1.00 62.51 C ATOM 1268 C ALA A 84 -6.375 -0.205 4.106 1.00 53.31 C ATOM 1269 O ALA A 84 -6.793 0.574 3.245 1.00 34.22 O ATOM 1270 CB ALA A 84 -5.171 -2.345 3.465 1.00 20.51 C ATOM 0 H ALA A 84 -7.210 -2.029 1.932 1.00 33.40 H new ATOM 0 HA ALA A 84 -6.805 -2.175 4.857 1.00 62.51 H new ATOM 0 HB1 ALA A 84 -4.407 -2.117 4.209 1.00 20.51 H new ATOM 0 HB2 ALA A 84 -5.275 -3.426 3.372 1.00 20.51 H new ATOM 0 HB3 ALA A 84 -4.878 -1.924 2.503 1.00 20.51 H new ATOM 1276 N TYR A 85 -5.788 0.227 5.249 1.00 52.34 N ATOM 1277 CA TYR A 85 -5.673 1.672 5.610 1.00 11.21 C ATOM 1278 C TYR A 85 -4.251 2.055 6.100 1.00 40.43 C ATOM 1279 O TYR A 85 -3.648 1.362 6.927 1.00 2.43 O ATOM 1280 CB TYR A 85 -6.728 2.049 6.691 1.00 21.11 C ATOM 1281 CG TYR A 85 -8.176 1.992 6.183 1.00 63.15 C ATOM 1282 CD1 TYR A 85 -8.707 3.037 5.421 1.00 21.01 C ATOM 1283 CD2 TYR A 85 -8.999 0.888 6.434 1.00 22.44 C ATOM 1284 CE1 TYR A 85 -10.001 2.987 4.939 1.00 15.33 C ATOM 1285 CE2 TYR A 85 -10.292 0.832 5.945 1.00 1.30 C ATOM 1286 CZ TYR A 85 -10.787 1.884 5.200 1.00 3.32 C ATOM 1287 OH TYR A 85 -12.071 1.828 4.701 1.00 65.24 O ATOM 0 H TYR A 85 -5.384 -0.403 5.942 1.00 52.34 H new ATOM 0 HA TYR A 85 -5.865 2.239 4.699 1.00 11.21 H new ATOM 0 HB2 TYR A 85 -6.623 1.374 7.540 1.00 21.11 H new ATOM 0 HB3 TYR A 85 -6.519 3.055 7.056 1.00 21.11 H new ATOM 0 HD1 TYR A 85 -8.094 3.900 5.205 1.00 21.01 H new ATOM 0 HD2 TYR A 85 -8.618 0.065 7.020 1.00 22.44 H new ATOM 0 HE1 TYR A 85 -10.396 3.809 4.360 1.00 15.33 H new ATOM 0 HE2 TYR A 85 -10.911 -0.030 6.145 1.00 1.30 H new ATOM 0 HH TYR A 85 -12.145 1.081 4.071 1.00 65.24 H new ATOM 1297 N PHE A 86 -3.741 3.188 5.572 1.00 71.40 N ATOM 1298 CA PHE A 86 -2.454 3.801 5.977 1.00 32.51 C ATOM 1299 C PHE A 86 -2.691 5.282 6.356 1.00 70.43 C ATOM 1300 O PHE A 86 -3.459 5.974 5.687 1.00 4.23 O ATOM 1301 CB PHE A 86 -1.420 3.730 4.814 1.00 1.14 C ATOM 1302 CG PHE A 86 -1.119 2.320 4.303 1.00 24.43 C ATOM 1303 CD1 PHE A 86 -0.094 1.558 4.863 1.00 52.35 C ATOM 1304 CD2 PHE A 86 -1.860 1.759 3.260 1.00 32.31 C ATOM 1305 CE1 PHE A 86 0.179 0.284 4.400 1.00 0.11 C ATOM 1306 CE2 PHE A 86 -1.584 0.485 2.802 1.00 44.22 C ATOM 1307 CZ PHE A 86 -0.567 -0.250 3.369 1.00 65.41 C ATOM 0 H PHE A 86 -4.219 3.713 4.840 1.00 71.40 H new ATOM 0 HA PHE A 86 -2.059 3.252 6.832 1.00 32.51 H new ATOM 0 HB2 PHE A 86 -1.789 4.331 3.983 1.00 1.14 H new ATOM 0 HB3 PHE A 86 -0.488 4.186 5.148 1.00 1.14 H new ATOM 0 HD1 PHE A 86 0.495 1.969 5.670 1.00 52.35 H new ATOM 0 HD2 PHE A 86 -2.658 2.328 2.806 1.00 32.31 H new ATOM 0 HE1 PHE A 86 0.976 -0.293 4.845 1.00 0.11 H new ATOM 0 HE2 PHE A 86 -2.168 0.064 1.997 1.00 44.22 H new ATOM 0 HZ PHE A 86 -0.353 -1.245 3.007 1.00 65.41 H new ATOM 1317 N THR A 87 -2.039 5.764 7.429 1.00 1.54 N ATOM 1318 CA THR A 87 -2.084 7.194 7.825 1.00 43.44 C ATOM 1319 C THR A 87 -0.650 7.743 7.970 1.00 51.43 C ATOM 1320 O THR A 87 0.034 7.477 8.965 1.00 30.31 O ATOM 1321 CB THR A 87 -2.879 7.409 9.163 1.00 61.41 C ATOM 1322 OG1 THR A 87 -4.197 6.838 9.054 1.00 24.22 O ATOM 1323 CG2 THR A 87 -2.997 8.905 9.537 1.00 21.51 C ATOM 0 H THR A 87 -1.469 5.184 8.045 1.00 1.54 H new ATOM 0 HA THR A 87 -2.609 7.738 7.040 1.00 43.44 H new ATOM 0 HB THR A 87 -2.320 6.909 9.953 1.00 61.41 H new ATOM 0 HG1 THR A 87 -4.684 6.976 9.893 1.00 24.22 H new ATOM 0 HG21 THR A 87 -3.554 9.004 10.469 1.00 21.51 H new ATOM 0 HG22 THR A 87 -2.000 9.328 9.663 1.00 21.51 H new ATOM 0 HG23 THR A 87 -3.520 9.438 8.743 1.00 21.51 H new ATOM 1331 N VAL A 88 -0.189 8.489 6.954 1.00 41.23 N ATOM 1332 CA VAL A 88 1.139 9.132 6.954 1.00 42.35 C ATOM 1333 C VAL A 88 1.021 10.586 7.463 1.00 63.01 C ATOM 1334 O VAL A 88 0.180 11.352 6.997 1.00 2.04 O ATOM 1335 CB VAL A 88 1.788 9.100 5.518 1.00 14.40 C ATOM 1336 CG1 VAL A 88 3.203 9.739 5.503 1.00 2.41 C ATOM 1337 CG2 VAL A 88 1.827 7.651 4.962 1.00 43.52 C ATOM 0 H VAL A 88 -0.727 8.665 6.105 1.00 41.23 H new ATOM 0 HA VAL A 88 1.791 8.572 7.625 1.00 42.35 H new ATOM 0 HB VAL A 88 1.157 9.703 4.865 1.00 14.40 H new ATOM 0 HG11 VAL A 88 3.612 9.695 4.493 1.00 2.41 H new ATOM 0 HG12 VAL A 88 3.136 10.779 5.822 1.00 2.41 H new ATOM 0 HG13 VAL A 88 3.856 9.192 6.183 1.00 2.41 H new ATOM 0 HG21 VAL A 88 2.279 7.654 3.970 1.00 43.52 H new ATOM 0 HG22 VAL A 88 2.417 7.022 5.628 1.00 43.52 H new ATOM 0 HG23 VAL A 88 0.812 7.259 4.897 1.00 43.52 H new ATOM 1347 N THR A 89 1.860 10.937 8.444 1.00 54.52 N ATOM 1348 CA THR A 89 1.900 12.280 9.055 1.00 70.33 C ATOM 1349 C THR A 89 3.331 12.853 8.948 1.00 42.24 C ATOM 1350 O THR A 89 4.294 12.226 9.409 1.00 70.13 O ATOM 1351 CB THR A 89 1.451 12.230 10.559 1.00 23.11 C ATOM 1352 OG1 THR A 89 2.251 11.281 11.294 1.00 32.33 O ATOM 1353 CG2 THR A 89 -0.039 11.856 10.711 1.00 1.25 C ATOM 0 H THR A 89 2.541 10.292 8.844 1.00 54.52 H new ATOM 0 HA THR A 89 1.206 12.926 8.518 1.00 70.33 H new ATOM 0 HB THR A 89 1.595 13.232 10.963 1.00 23.11 H new ATOM 0 HG1 THR A 89 3.166 11.283 10.943 1.00 32.33 H new ATOM 0 HG21 THR A 89 -0.303 11.834 11.768 1.00 1.25 H new ATOM 0 HG22 THR A 89 -0.654 12.596 10.199 1.00 1.25 H new ATOM 0 HG23 THR A 89 -0.214 10.873 10.273 1.00 1.25 H new ATOM 1361 N ILE A 90 3.472 14.041 8.323 1.00 35.41 N ATOM 1362 CA ILE A 90 4.796 14.674 8.085 1.00 45.15 C ATOM 1363 C ILE A 90 5.236 15.560 9.271 1.00 54.24 C ATOM 1364 O ILE A 90 4.533 15.712 10.275 1.00 30.54 O ATOM 1365 CB ILE A 90 4.799 15.530 6.763 1.00 62.13 C ATOM 1366 CG1 ILE A 90 4.315 14.690 5.540 1.00 64.11 C ATOM 1367 CG2 ILE A 90 6.197 16.145 6.480 1.00 1.52 C ATOM 1368 CD1 ILE A 90 5.183 13.491 5.197 1.00 1.54 C ATOM 0 H ILE A 90 2.685 14.586 7.971 1.00 35.41 H new ATOM 0 HA ILE A 90 5.510 13.857 7.980 1.00 45.15 H new ATOM 0 HB ILE A 90 4.096 16.350 6.914 1.00 62.13 H new ATOM 0 HG12 ILE A 90 3.302 14.341 5.737 1.00 64.11 H new ATOM 0 HG13 ILE A 90 4.263 15.343 4.668 1.00 64.11 H new ATOM 0 HG21 ILE A 90 6.158 16.728 5.560 1.00 1.52 H new ATOM 0 HG22 ILE A 90 6.484 16.793 7.308 1.00 1.52 H new ATOM 0 HG23 ILE A 90 6.931 15.346 6.373 1.00 1.52 H new ATOM 0 HD11 ILE A 90 4.764 12.973 4.334 1.00 1.54 H new ATOM 0 HD12 ILE A 90 6.193 13.828 4.962 1.00 1.54 H new ATOM 0 HD13 ILE A 90 5.216 12.810 6.048 1.00 1.54 H new