USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= -0.112 (180deg=-0.247) USER MOD Single : A 6 TYR OH : rot -3:sc= 0.209 USER MOD Single : A 7 TYR OH : rot -150:sc= -6.3! USER MOD Single : A 10 MET CE :methyl -123:sc= -21.4! (180deg=-25.4!) USER MOD Single : A 13 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0153) USER MOD Single : A 15 THR OG1 : rot 67:sc= 0.57 USER MOD Single : A 19 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0184) USER MOD Single : A 20 THR OG1 : rot 111:sc= -1.69! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 100:sc= 0.121 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -114:sc= -0.167 (180deg=-1.49) USER MOD Single : A 32 TYR OH : rot -21:sc= -0.0135 USER MOD Single : A 33 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-8.6!) USER MOD Single : A 37 SER OG : rot -100:sc= -5.79! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.00315) USER MOD Single : A 57 SER OG : rot -103:sc= 0.952 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 65 TYR OH : rot -95:sc= -5.61! USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl -114:sc= -14.8! (180deg=-19.4!) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 3 3.332 0.606 -8.569 1.00 2.14 N ATOM 17 CA LEU A 3 3.920 1.255 -9.774 1.00 55.34 C ATOM 18 C LEU A 3 3.478 2.700 -9.899 1.00 1.15 C ATOM 19 O LEU A 3 2.300 2.995 -9.953 1.00 63.24 O ATOM 20 CB LEU A 3 3.339 0.494 -10.964 1.00 44.31 C ATOM 21 CG LEU A 3 4.101 0.821 -12.242 1.00 62.10 C ATOM 22 CD1 LEU A 3 3.931 2.296 -12.566 1.00 14.33 C ATOM 23 CD2 LEU A 3 5.577 0.530 -12.073 1.00 32.51 C ATOM 0 HA LEU A 3 5.009 1.236 -9.720 1.00 55.34 H new ATOM 0 HB2 LEU A 3 3.385 -0.578 -10.773 1.00 44.31 H new ATOM 0 HB3 LEU A 3 2.287 0.751 -11.087 1.00 44.31 H new ATOM 0 HG LEU A 3 3.704 0.204 -13.048 1.00 62.10 H new ATOM 0 HD11 LEU A 3 4.475 2.533 -13.480 1.00 14.33 H new ATOM 0 HD12 LEU A 3 2.873 2.518 -12.706 1.00 14.33 H new ATOM 0 HD13 LEU A 3 4.322 2.896 -11.745 1.00 14.33 H new ATOM 0 HD21 LEU A 3 6.103 0.770 -12.997 1.00 32.51 H new ATOM 0 HD22 LEU A 3 5.977 1.136 -11.260 1.00 32.51 H new ATOM 0 HD23 LEU A 3 5.715 -0.526 -11.841 1.00 32.51 H new ATOM 35 N LYS A 4 4.400 3.591 -10.067 1.00 65.13 N ATOM 36 CA LYS A 4 4.007 4.968 -10.325 1.00 43.42 C ATOM 37 C LYS A 4 3.775 5.035 -11.812 1.00 61.03 C ATOM 38 O LYS A 4 4.676 4.863 -12.580 1.00 34.14 O ATOM 39 CB LYS A 4 5.181 5.832 -9.921 1.00 45.02 C ATOM 40 CG LYS A 4 4.985 7.187 -10.550 1.00 35.22 C ATOM 41 CD LYS A 4 5.773 8.250 -9.788 1.00 21.22 C ATOM 42 CE LYS A 4 5.392 8.206 -8.311 1.00 54.35 C ATOM 43 NZ LYS A 4 4.995 9.601 -7.973 1.00 71.04 N ATOM 0 H LYS A 4 5.404 3.415 -10.035 1.00 65.13 H new ATOM 0 HA LYS A 4 3.119 5.297 -9.785 1.00 43.42 H new ATOM 0 HB2 LYS A 4 5.238 5.918 -8.836 1.00 45.02 H new ATOM 0 HB3 LYS A 4 6.118 5.386 -10.255 1.00 45.02 H new ATOM 0 HG2 LYS A 4 5.309 7.162 -11.590 1.00 35.22 H new ATOM 0 HG3 LYS A 4 3.926 7.443 -10.552 1.00 35.22 H new ATOM 0 HD2 LYS A 4 6.843 8.077 -9.904 1.00 21.22 H new ATOM 0 HD3 LYS A 4 5.563 9.237 -10.199 1.00 21.22 H new ATOM 0 HE2 LYS A 4 4.573 7.509 -8.136 1.00 54.35 H new ATOM 0 HE3 LYS A 4 6.229 7.874 -7.697 1.00 54.35 H new ATOM 0 HZ1 LYS A 4 4.623 9.631 -7.002 1.00 71.04 H new ATOM 0 HZ2 LYS A 4 5.824 10.225 -8.046 1.00 71.04 H new ATOM 0 HZ3 LYS A 4 4.260 9.923 -8.635 1.00 71.04 H new ATOM 57 N ASP A 5 2.582 5.229 -12.225 1.00 1.24 N ATOM 58 CA ASP A 5 2.319 5.220 -13.686 1.00 15.14 C ATOM 59 C ASP A 5 3.063 6.360 -14.385 1.00 23.34 C ATOM 60 O ASP A 5 2.482 7.262 -14.934 1.00 1.13 O ATOM 61 CB ASP A 5 0.804 5.371 -13.800 1.00 34.11 C ATOM 62 CG ASP A 5 0.383 6.745 -13.281 1.00 54.44 C ATOM 63 OD1 ASP A 5 1.261 7.530 -12.960 1.00 1.32 O ATOM 64 OD2 ASP A 5 -0.810 6.991 -13.214 1.00 15.23 O ATOM 0 H ASP A 5 1.770 5.394 -11.630 1.00 1.24 H new ATOM 0 HA ASP A 5 2.671 4.310 -14.171 1.00 15.14 H new ATOM 0 HB2 ASP A 5 0.494 5.253 -14.838 1.00 34.11 H new ATOM 0 HB3 ASP A 5 0.307 4.588 -13.228 1.00 34.11 H new ATOM 69 N TYR A 6 4.370 6.300 -14.380 1.00 54.12 N ATOM 70 CA TYR A 6 5.189 7.339 -15.059 1.00 54.51 C ATOM 71 C TYR A 6 4.610 7.653 -16.360 1.00 12.53 C ATOM 72 O TYR A 6 4.283 8.771 -16.692 1.00 21.33 O ATOM 73 CB TYR A 6 6.487 6.682 -15.344 1.00 24.44 C ATOM 74 CG TYR A 6 7.210 6.533 -14.084 1.00 64.25 C ATOM 75 CD1 TYR A 6 7.197 7.516 -13.101 1.00 4.14 C ATOM 76 CD2 TYR A 6 7.906 5.398 -13.918 1.00 64.15 C ATOM 77 CE1 TYR A 6 7.906 7.316 -11.945 1.00 51.45 C ATOM 78 CE2 TYR A 6 8.611 5.165 -12.776 1.00 4.33 C ATOM 79 CZ TYR A 6 8.624 6.126 -11.760 1.00 22.33 C ATOM 80 OH TYR A 6 9.344 5.912 -10.602 1.00 15.43 O ATOM 0 H TYR A 6 4.909 5.562 -13.926 1.00 54.12 H new ATOM 0 HA TYR A 6 5.259 8.239 -14.449 1.00 54.51 H new ATOM 0 HB2 TYR A 6 6.327 5.709 -15.807 1.00 24.44 H new ATOM 0 HB3 TYR A 6 7.068 7.278 -16.048 1.00 24.44 H new ATOM 0 HD1 TYR A 6 6.635 8.427 -13.246 1.00 4.14 H new ATOM 0 HD2 TYR A 6 7.907 4.656 -14.703 1.00 64.15 H new ATOM 0 HE1 TYR A 6 7.912 8.075 -11.177 1.00 51.45 H new ATOM 0 HE2 TYR A 6 9.158 4.242 -12.656 1.00 4.33 H new ATOM 0 HH TYR A 6 9.290 6.707 -10.032 1.00 15.43 H new ATOM 90 N TYR A 7 4.520 6.647 -17.129 1.00 21.04 N ATOM 91 CA TYR A 7 4.006 6.823 -18.449 1.00 41.21 C ATOM 92 C TYR A 7 2.801 7.671 -18.398 1.00 3.24 C ATOM 93 O TYR A 7 2.504 8.465 -19.266 1.00 31.54 O ATOM 94 CB TYR A 7 3.675 5.428 -18.918 1.00 43.41 C ATOM 95 CG TYR A 7 4.948 4.699 -19.122 1.00 24.21 C ATOM 96 CD1 TYR A 7 6.082 5.399 -19.510 1.00 44.34 C ATOM 97 CD2 TYR A 7 4.983 3.331 -18.965 1.00 13.34 C ATOM 98 CE1 TYR A 7 7.261 4.737 -19.754 1.00 21.02 C ATOM 99 CE2 TYR A 7 6.174 2.646 -19.197 1.00 65.43 C ATOM 100 CZ TYR A 7 7.319 3.347 -19.603 1.00 10.33 C ATOM 101 OH TYR A 7 8.493 2.672 -19.846 1.00 64.12 O ATOM 0 H TYR A 7 4.789 5.694 -16.885 1.00 21.04 H new ATOM 0 HA TYR A 7 4.709 7.314 -19.122 1.00 41.21 H new ATOM 0 HB2 TYR A 7 3.056 4.915 -18.182 1.00 43.41 H new ATOM 0 HB3 TYR A 7 3.103 5.463 -19.845 1.00 43.41 H new ATOM 0 HD1 TYR A 7 6.037 6.472 -19.621 1.00 44.34 H new ATOM 0 HD2 TYR A 7 4.095 2.794 -18.665 1.00 13.34 H new ATOM 0 HE1 TYR A 7 8.139 5.287 -20.061 1.00 21.02 H new ATOM 0 HE2 TYR A 7 6.215 1.575 -19.064 1.00 65.43 H new ATOM 0 HH TYR A 7 8.290 1.767 -20.163 1.00 64.12 H new ATOM 111 N ALA A 8 2.137 7.521 -17.356 1.00 11.34 N ATOM 112 CA ALA A 8 0.958 8.315 -17.166 1.00 32.11 C ATOM 113 C ALA A 8 1.420 9.684 -16.737 1.00 45.14 C ATOM 114 O ALA A 8 1.110 10.701 -17.325 1.00 52.01 O ATOM 115 CB ALA A 8 0.302 7.606 -16.010 1.00 34.52 C ATOM 0 H ALA A 8 2.358 6.869 -16.603 1.00 11.34 H new ATOM 0 HA ALA A 8 0.305 8.424 -18.032 1.00 32.11 H new ATOM 0 HB1 ALA A 8 -0.628 8.114 -15.752 1.00 34.52 H new ATOM 0 HB2 ALA A 8 0.087 6.575 -16.290 1.00 34.52 H new ATOM 0 HB3 ALA A 8 0.971 7.616 -15.150 1.00 34.52 H new ATOM 121 N ILE A 9 2.214 9.674 -15.715 1.00 43.51 N ATOM 122 CA ILE A 9 2.796 10.916 -15.194 1.00 35.32 C ATOM 123 C ILE A 9 3.255 11.759 -16.359 1.00 33.52 C ATOM 124 O ILE A 9 2.925 12.919 -16.509 1.00 12.03 O ATOM 125 CB ILE A 9 4.015 10.427 -14.428 1.00 33.35 C ATOM 126 CG1 ILE A 9 3.639 10.196 -12.993 1.00 60.54 C ATOM 127 CG2 ILE A 9 5.129 11.436 -14.503 1.00 31.52 C ATOM 128 CD1 ILE A 9 4.038 8.783 -12.669 1.00 54.04 C ATOM 0 H ILE A 9 2.488 8.831 -15.210 1.00 43.51 H new ATOM 0 HA ILE A 9 2.108 11.507 -14.590 1.00 35.32 H new ATOM 0 HB ILE A 9 4.362 9.495 -14.875 1.00 33.35 H new ATOM 0 HG12 ILE A 9 4.150 10.903 -12.339 1.00 60.54 H new ATOM 0 HG13 ILE A 9 2.569 10.341 -12.844 1.00 60.54 H new ATOM 0 HG21 ILE A 9 5.992 11.067 -13.949 1.00 31.52 H new ATOM 0 HG22 ILE A 9 5.407 11.594 -15.545 1.00 31.52 H new ATOM 0 HG23 ILE A 9 4.796 12.379 -14.070 1.00 31.52 H new ATOM 0 HD11 ILE A 9 3.785 8.562 -11.632 1.00 54.04 H new ATOM 0 HD12 ILE A 9 3.506 8.095 -13.326 1.00 54.04 H new ATOM 0 HD13 ILE A 9 5.112 8.666 -12.814 1.00 54.04 H new ATOM 140 N MET A 10 4.068 11.150 -17.155 1.00 42.25 N ATOM 141 CA MET A 10 4.649 11.832 -18.304 1.00 32.31 C ATOM 142 C MET A 10 3.690 11.856 -19.491 1.00 31.23 C ATOM 143 O MET A 10 4.052 12.191 -20.601 1.00 72.35 O ATOM 144 CB MET A 10 5.920 11.080 -18.527 1.00 73.42 C ATOM 145 CG MET A 10 5.672 9.692 -19.072 1.00 64.20 C ATOM 146 SD MET A 10 7.030 9.286 -20.180 1.00 12.14 S ATOM 147 CE MET A 10 8.406 10.027 -19.246 1.00 22.23 C ATOM 0 H MET A 10 4.357 10.178 -17.046 1.00 42.25 H new ATOM 0 HA MET A 10 4.845 12.893 -18.150 1.00 32.31 H new ATOM 0 HB2 MET A 10 6.551 11.634 -19.222 1.00 73.42 H new ATOM 0 HB3 MET A 10 6.467 11.007 -17.587 1.00 73.42 H new ATOM 0 HG2 MET A 10 5.612 8.968 -18.260 1.00 64.20 H new ATOM 0 HG3 MET A 10 4.721 9.654 -19.603 1.00 64.20 H new ATOM 0 HE1 MET A 10 8.921 10.754 -19.873 1.00 22.23 H new ATOM 0 HE2 MET A 10 8.017 10.525 -18.358 1.00 22.23 H new ATOM 0 HE3 MET A 10 9.105 9.246 -18.947 1.00 22.23 H new ATOM 157 N GLY A 11 2.457 11.539 -19.237 1.00 61.12 N ATOM 158 CA GLY A 11 1.426 11.574 -20.320 1.00 12.11 C ATOM 159 C GLY A 11 1.976 10.804 -21.494 1.00 4.43 C ATOM 160 O GLY A 11 2.461 11.359 -22.459 1.00 33.53 O ATOM 0 H GLY A 11 2.110 11.254 -18.321 1.00 61.12 H new ATOM 0 HA2 GLY A 11 0.492 11.131 -19.975 1.00 12.11 H new ATOM 0 HA3 GLY A 11 1.205 12.602 -20.606 1.00 12.11 H new ATOM 164 N VAL A 12 1.980 9.526 -21.368 1.00 35.51 N ATOM 165 CA VAL A 12 2.574 8.682 -22.396 1.00 61.44 C ATOM 166 C VAL A 12 1.813 7.381 -22.524 1.00 55.32 C ATOM 167 O VAL A 12 0.653 7.255 -22.184 1.00 53.25 O ATOM 168 CB VAL A 12 3.951 8.462 -21.785 1.00 51.13 C ATOM 169 CG1 VAL A 12 4.084 7.166 -21.064 1.00 62.25 C ATOM 170 CG2 VAL A 12 5.032 8.487 -22.755 1.00 65.15 C ATOM 0 H VAL A 12 1.585 9.022 -20.574 1.00 35.51 H new ATOM 0 HA VAL A 12 2.580 9.101 -23.402 1.00 61.44 H new ATOM 0 HB VAL A 12 4.035 9.300 -21.093 1.00 51.13 H new ATOM 0 HG11 VAL A 12 5.091 7.079 -20.655 1.00 62.25 H new ATOM 0 HG12 VAL A 12 3.358 7.125 -20.252 1.00 62.25 H new ATOM 0 HG13 VAL A 12 3.901 6.344 -21.756 1.00 62.25 H new ATOM 0 HG21 VAL A 12 5.982 8.323 -22.246 1.00 65.15 H new ATOM 0 HG22 VAL A 12 4.876 7.701 -23.494 1.00 65.15 H new ATOM 0 HG23 VAL A 12 5.050 9.456 -23.254 1.00 65.15 H new ATOM 180 N LYS A 13 2.507 6.427 -22.999 1.00 73.23 N ATOM 181 CA LYS A 13 1.952 5.073 -23.178 1.00 55.41 C ATOM 182 C LYS A 13 2.553 4.144 -22.121 1.00 74.23 C ATOM 183 O LYS A 13 3.724 4.243 -21.814 1.00 43.42 O ATOM 184 CB LYS A 13 2.462 4.723 -24.550 1.00 62.14 C ATOM 185 CG LYS A 13 1.536 5.323 -25.605 1.00 32.33 C ATOM 186 CD LYS A 13 1.989 6.752 -25.880 1.00 0.41 C ATOM 187 CE LYS A 13 0.812 7.715 -25.745 1.00 4.11 C ATOM 188 NZ LYS A 13 0.018 7.542 -26.994 1.00 21.43 N ATOM 0 H LYS A 13 3.481 6.522 -23.287 1.00 73.23 H new ATOM 0 HA LYS A 13 0.869 4.996 -23.081 1.00 55.41 H new ATOM 0 HB2 LYS A 13 3.475 5.103 -24.681 1.00 62.14 H new ATOM 0 HB3 LYS A 13 2.510 3.640 -24.666 1.00 62.14 H new ATOM 0 HG2 LYS A 13 1.569 4.731 -26.520 1.00 32.33 H new ATOM 0 HG3 LYS A 13 0.504 5.312 -25.255 1.00 32.33 H new ATOM 0 HD2 LYS A 13 2.778 7.031 -25.182 1.00 0.41 H new ATOM 0 HD3 LYS A 13 2.411 6.821 -26.883 1.00 0.41 H new ATOM 0 HE2 LYS A 13 0.214 7.484 -24.863 1.00 4.11 H new ATOM 0 HE3 LYS A 13 1.156 8.744 -25.637 1.00 4.11 H new ATOM 0 HZ1 LYS A 13 -0.233 8.475 -27.378 1.00 21.43 H new ATOM 0 HZ2 LYS A 13 0.582 7.020 -27.694 1.00 21.43 H new ATOM 0 HZ3 LYS A 13 -0.850 7.010 -26.783 1.00 21.43 H new ATOM 202 N PRO A 14 1.744 3.273 -21.594 1.00 12.53 N ATOM 203 CA PRO A 14 2.234 2.335 -20.560 1.00 22.13 C ATOM 204 C PRO A 14 3.168 1.291 -21.181 1.00 4.31 C ATOM 205 O PRO A 14 3.773 0.494 -20.491 1.00 55.14 O ATOM 206 CB PRO A 14 0.964 1.690 -20.028 1.00 64.24 C ATOM 207 CG PRO A 14 -0.031 1.822 -21.138 1.00 44.32 C ATOM 208 CD PRO A 14 0.323 3.076 -21.897 1.00 43.24 C ATOM 0 HA PRO A 14 2.812 2.825 -19.777 1.00 22.13 H new ATOM 0 HB2 PRO A 14 1.131 0.644 -19.770 1.00 64.24 H new ATOM 0 HB3 PRO A 14 0.616 2.190 -19.124 1.00 64.24 H new ATOM 0 HG2 PRO A 14 0.004 0.951 -21.793 1.00 44.32 H new ATOM 0 HG3 PRO A 14 -1.045 1.883 -20.742 1.00 44.32 H new ATOM 0 HD2 PRO A 14 0.154 2.958 -22.967 1.00 43.24 H new ATOM 0 HD3 PRO A 14 -0.278 3.925 -21.571 1.00 43.24 H new ATOM 216 N THR A 15 3.289 1.294 -22.479 1.00 5.24 N ATOM 217 CA THR A 15 4.184 0.308 -23.154 1.00 31.21 C ATOM 218 C THR A 15 4.849 0.955 -24.366 1.00 63.40 C ATOM 219 O THR A 15 4.785 0.455 -25.472 1.00 43.43 O ATOM 220 CB THR A 15 3.259 -0.824 -23.583 1.00 52.40 C ATOM 221 OG1 THR A 15 2.422 -0.377 -24.640 1.00 75.22 O ATOM 222 CG2 THR A 15 2.405 -1.238 -22.391 1.00 55.25 C ATOM 0 H THR A 15 2.806 1.938 -23.105 1.00 5.24 H new ATOM 0 HA THR A 15 4.985 -0.047 -22.506 1.00 31.21 H new ATOM 0 HB THR A 15 3.846 -1.675 -23.929 1.00 52.40 H new ATOM 0 HG1 THR A 15 2.966 -0.199 -25.435 1.00 75.22 H new ATOM 0 HG21 THR A 15 1.738 -2.048 -22.685 1.00 55.25 H new ATOM 0 HG22 THR A 15 3.051 -1.576 -21.581 1.00 55.25 H new ATOM 0 HG23 THR A 15 1.814 -0.386 -22.053 1.00 55.25 H new ATOM 230 N ASP A 16 5.479 2.072 -24.160 1.00 3.24 N ATOM 231 CA ASP A 16 6.149 2.780 -25.289 1.00 42.13 C ATOM 232 C ASP A 16 7.670 2.733 -25.148 1.00 73.42 C ATOM 233 O ASP A 16 8.212 2.050 -24.301 1.00 0.11 O ATOM 234 CB ASP A 16 5.662 4.213 -25.196 1.00 61.35 C ATOM 235 CG ASP A 16 5.070 4.608 -26.552 1.00 14.25 C ATOM 236 OD1 ASP A 16 5.718 4.347 -27.552 1.00 30.23 O ATOM 237 OD2 ASP A 16 3.985 5.162 -26.575 1.00 33.54 O ATOM 0 H ASP A 16 5.562 2.532 -23.253 1.00 3.24 H new ATOM 0 HA ASP A 16 5.912 2.317 -26.247 1.00 42.13 H new ATOM 0 HB2 ASP A 16 4.911 4.309 -24.411 1.00 61.35 H new ATOM 0 HB3 ASP A 16 6.485 4.878 -24.933 1.00 61.35 H new ATOM 242 N ASP A 17 8.358 3.479 -25.967 1.00 75.35 N ATOM 243 CA ASP A 17 9.843 3.520 -25.891 1.00 22.03 C ATOM 244 C ASP A 17 10.255 4.903 -25.401 1.00 65.32 C ATOM 245 O ASP A 17 9.417 5.707 -25.045 1.00 11.23 O ATOM 246 CB ASP A 17 10.329 3.290 -27.324 1.00 61.21 C ATOM 247 CG ASP A 17 11.646 2.513 -27.303 1.00 62.13 C ATOM 248 OD1 ASP A 17 11.623 1.356 -26.918 1.00 10.44 O ATOM 249 OD2 ASP A 17 12.657 3.089 -27.671 1.00 54.11 O ATOM 0 H ASP A 17 7.949 4.068 -26.693 1.00 75.35 H new ATOM 0 HA ASP A 17 10.261 2.776 -25.213 1.00 22.03 H new ATOM 0 HB2 ASP A 17 9.578 2.737 -27.889 1.00 61.21 H new ATOM 0 HB3 ASP A 17 10.468 4.246 -27.829 1.00 61.21 H new ATOM 254 N LEU A 18 11.518 5.209 -25.372 1.00 64.22 N ATOM 255 CA LEU A 18 11.901 6.556 -24.895 1.00 41.42 C ATOM 256 C LEU A 18 11.378 7.620 -25.859 1.00 34.54 C ATOM 257 O LEU A 18 11.120 8.742 -25.470 1.00 63.13 O ATOM 258 CB LEU A 18 13.436 6.580 -24.828 1.00 42.44 C ATOM 259 CG LEU A 18 13.948 6.889 -23.398 1.00 43.15 C ATOM 260 CD1 LEU A 18 15.056 7.940 -23.476 1.00 51.04 C ATOM 261 CD2 LEU A 18 12.851 7.466 -22.519 1.00 43.11 C ATOM 0 H LEU A 18 12.285 4.598 -25.652 1.00 64.22 H new ATOM 0 HA LEU A 18 11.473 6.770 -23.916 1.00 41.42 H new ATOM 0 HB2 LEU A 18 13.829 5.617 -25.154 1.00 42.44 H new ATOM 0 HB3 LEU A 18 13.818 7.330 -25.520 1.00 42.44 H new ATOM 0 HG LEU A 18 14.302 5.951 -22.971 1.00 43.15 H new ATOM 0 HD11 LEU A 18 15.419 8.161 -22.472 1.00 51.04 H new ATOM 0 HD12 LEU A 18 15.877 7.559 -24.084 1.00 51.04 H new ATOM 0 HD13 LEU A 18 14.663 8.851 -23.928 1.00 51.04 H new ATOM 0 HD21 LEU A 18 13.250 7.669 -21.525 1.00 43.11 H new ATOM 0 HD22 LEU A 18 12.483 8.393 -22.958 1.00 43.11 H new ATOM 0 HD23 LEU A 18 12.032 6.751 -22.442 1.00 43.11 H new ATOM 273 N LYS A 19 11.212 7.290 -27.112 1.00 11.42 N ATOM 274 CA LYS A 19 10.700 8.314 -28.062 1.00 23.23 C ATOM 275 C LYS A 19 9.357 8.822 -27.547 1.00 40.21 C ATOM 276 O LYS A 19 9.132 10.014 -27.436 1.00 12.21 O ATOM 277 CB LYS A 19 10.532 7.578 -29.395 1.00 24.12 C ATOM 278 CG LYS A 19 10.316 8.593 -30.520 1.00 2.20 C ATOM 279 CD LYS A 19 10.120 7.851 -31.845 1.00 23.43 C ATOM 280 CE LYS A 19 8.889 8.407 -32.569 1.00 61.30 C ATOM 281 NZ LYS A 19 9.326 9.711 -33.148 1.00 32.55 N ATOM 0 H LYS A 19 11.405 6.372 -27.512 1.00 11.42 H new ATOM 0 HA LYS A 19 11.363 9.172 -28.171 1.00 23.23 H new ATOM 0 HB2 LYS A 19 11.415 6.974 -29.602 1.00 24.12 H new ATOM 0 HB3 LYS A 19 9.684 6.895 -29.340 1.00 24.12 H new ATOM 0 HG2 LYS A 19 9.444 9.211 -30.304 1.00 2.20 H new ATOM 0 HG3 LYS A 19 11.173 9.263 -30.589 1.00 2.20 H new ATOM 0 HD2 LYS A 19 11.005 7.965 -32.471 1.00 23.43 H new ATOM 0 HD3 LYS A 19 9.995 6.784 -31.661 1.00 23.43 H new ATOM 0 HE2 LYS A 19 8.550 7.725 -33.349 1.00 61.30 H new ATOM 0 HE3 LYS A 19 8.056 8.543 -31.880 1.00 61.30 H new ATOM 0 HZ1 LYS A 19 8.640 10.451 -32.895 1.00 32.55 H new ATOM 0 HZ2 LYS A 19 10.262 9.962 -32.770 1.00 32.55 H new ATOM 0 HZ3 LYS A 19 9.381 9.630 -34.183 1.00 32.55 H new ATOM 295 N THR A 20 8.480 7.930 -27.171 1.00 23.43 N ATOM 296 CA THR A 20 7.180 8.381 -26.610 1.00 45.23 C ATOM 297 C THR A 20 7.426 8.967 -25.250 1.00 30.35 C ATOM 298 O THR A 20 6.966 10.041 -24.919 1.00 32.22 O ATOM 299 CB THR A 20 6.317 7.131 -26.425 1.00 45.03 C ATOM 300 OG1 THR A 20 5.801 6.724 -27.684 1.00 3.15 O ATOM 301 CG2 THR A 20 5.167 7.440 -25.457 1.00 72.34 C ATOM 0 H THR A 20 8.608 6.920 -27.228 1.00 23.43 H new ATOM 0 HA THR A 20 6.704 9.114 -27.262 1.00 45.23 H new ATOM 0 HB THR A 20 6.922 6.325 -26.010 1.00 45.03 H new ATOM 0 HG1 THR A 20 6.220 5.879 -27.951 1.00 3.15 H new ATOM 0 HG21 THR A 20 4.553 6.549 -25.326 1.00 72.34 H new ATOM 0 HG22 THR A 20 5.575 7.745 -24.493 1.00 72.34 H new ATOM 0 HG23 THR A 20 4.556 8.246 -25.864 1.00 72.34 H new ATOM 309 N ILE A 21 8.097 8.228 -24.430 1.00 13.33 N ATOM 310 CA ILE A 21 8.304 8.704 -23.076 1.00 30.53 C ATOM 311 C ILE A 21 8.827 10.125 -23.070 1.00 41.30 C ATOM 312 O ILE A 21 8.197 10.987 -22.518 1.00 41.43 O ATOM 313 CB ILE A 21 9.299 7.771 -22.497 1.00 52.12 C ATOM 314 CG1 ILE A 21 8.642 6.412 -22.321 1.00 13.44 C ATOM 315 CG2 ILE A 21 9.732 8.322 -21.148 1.00 50.23 C ATOM 316 CD1 ILE A 21 9.698 5.440 -21.848 1.00 73.21 C ATOM 0 H ILE A 21 8.505 7.319 -24.649 1.00 13.33 H new ATOM 0 HA ILE A 21 7.376 8.725 -22.504 1.00 30.53 H new ATOM 0 HB ILE A 21 10.168 7.667 -23.147 1.00 52.12 H new ATOM 0 HG12 ILE A 21 7.829 6.473 -21.598 1.00 13.44 H new ATOM 0 HG13 ILE A 21 8.207 6.074 -23.262 1.00 13.44 H new ATOM 0 HG21 ILE A 21 10.466 7.652 -20.700 1.00 50.23 H new ATOM 0 HG22 ILE A 21 10.176 9.308 -21.283 1.00 50.23 H new ATOM 0 HG23 ILE A 21 8.865 8.401 -20.492 1.00 50.23 H new ATOM 0 HD11 ILE A 21 9.252 4.455 -21.714 1.00 73.21 H new ATOM 0 HD12 ILE A 21 10.495 5.379 -22.589 1.00 73.21 H new ATOM 0 HD13 ILE A 21 10.110 5.784 -20.899 1.00 73.21 H new ATOM 328 N LYS A 22 9.953 10.418 -23.665 1.00 51.31 N ATOM 329 CA LYS A 22 10.363 11.838 -23.598 1.00 25.14 C ATOM 330 C LYS A 22 9.376 12.649 -24.370 1.00 71.23 C ATOM 331 O LYS A 22 9.017 13.720 -23.971 1.00 32.10 O ATOM 332 CB LYS A 22 11.750 12.013 -24.156 1.00 34.01 C ATOM 333 CG LYS A 22 12.390 13.083 -23.283 1.00 35.23 C ATOM 334 CD LYS A 22 13.782 13.448 -23.764 1.00 63.10 C ATOM 335 CE LYS A 22 14.678 13.755 -22.570 1.00 64.21 C ATOM 336 NZ LYS A 22 14.968 15.213 -22.664 1.00 73.34 N ATOM 0 H LYS A 22 10.569 9.777 -24.164 1.00 51.31 H new ATOM 0 HA LYS A 22 10.382 12.172 -22.561 1.00 25.14 H new ATOM 0 HB2 LYS A 22 12.313 11.081 -24.115 1.00 34.01 H new ATOM 0 HB3 LYS A 22 11.720 12.321 -25.201 1.00 34.01 H new ATOM 0 HG2 LYS A 22 11.762 13.974 -23.281 1.00 35.23 H new ATOM 0 HG3 LYS A 22 12.443 12.728 -22.254 1.00 35.23 H new ATOM 0 HD2 LYS A 22 14.203 12.627 -24.344 1.00 63.10 H new ATOM 0 HD3 LYS A 22 13.733 14.313 -24.425 1.00 63.10 H new ATOM 0 HE2 LYS A 22 14.180 13.512 -21.631 1.00 64.21 H new ATOM 0 HE3 LYS A 22 15.596 13.168 -22.605 1.00 64.21 H new ATOM 0 HZ1 LYS A 22 15.581 15.497 -21.873 1.00 73.34 H new ATOM 0 HZ2 LYS A 22 15.449 15.414 -23.564 1.00 73.34 H new ATOM 0 HZ3 LYS A 22 14.077 15.748 -22.620 1.00 73.34 H new ATOM 350 N THR A 23 8.855 12.142 -25.440 1.00 22.21 N ATOM 351 CA THR A 23 7.821 12.935 -26.117 1.00 74.34 C ATOM 352 C THR A 23 6.844 13.311 -25.016 1.00 23.14 C ATOM 353 O THR A 23 6.393 14.426 -24.931 1.00 61.11 O ATOM 354 CB THR A 23 7.161 12.004 -27.126 1.00 63.02 C ATOM 355 OG1 THR A 23 7.634 12.298 -28.434 1.00 73.51 O ATOM 356 CG2 THR A 23 5.659 12.222 -27.053 1.00 22.01 C ATOM 0 H THR A 23 9.092 11.244 -25.861 1.00 22.21 H new ATOM 0 HA THR A 23 8.187 13.823 -26.632 1.00 74.34 H new ATOM 0 HB THR A 23 7.401 10.965 -26.899 1.00 63.02 H new ATOM 0 HG1 THR A 23 8.332 11.656 -28.681 1.00 73.51 H new ATOM 0 HG21 THR A 23 5.161 11.566 -27.767 1.00 22.01 H new ATOM 0 HG22 THR A 23 5.307 11.996 -26.046 1.00 22.01 H new ATOM 0 HG23 THR A 23 5.430 13.260 -27.293 1.00 22.01 H new ATOM 364 N ALA A 24 6.588 12.343 -24.158 1.00 42.23 N ATOM 365 CA ALA A 24 5.688 12.538 -22.993 1.00 65.20 C ATOM 366 C ALA A 24 6.358 13.401 -21.935 1.00 70.33 C ATOM 367 O ALA A 24 5.874 14.446 -21.586 1.00 72.15 O ATOM 368 CB ALA A 24 5.530 11.144 -22.415 1.00 73.11 C ATOM 0 H ALA A 24 6.982 11.405 -24.229 1.00 42.23 H new ATOM 0 HA ALA A 24 4.753 13.017 -23.283 1.00 65.20 H new ATOM 0 HB1 ALA A 24 4.877 11.183 -21.543 1.00 73.11 H new ATOM 0 HB2 ALA A 24 5.093 10.486 -23.166 1.00 73.11 H new ATOM 0 HB3 ALA A 24 6.506 10.760 -22.120 1.00 73.11 H new ATOM 374 N TYR A 25 7.474 12.944 -21.423 1.00 54.22 N ATOM 375 CA TYR A 25 8.197 13.692 -20.362 1.00 51.11 C ATOM 376 C TYR A 25 8.742 14.996 -20.883 1.00 63.40 C ATOM 377 O TYR A 25 8.964 15.917 -20.148 1.00 4.24 O ATOM 378 CB TYR A 25 9.365 12.785 -19.933 1.00 75.22 C ATOM 379 CG TYR A 25 10.558 13.629 -19.536 1.00 12.32 C ATOM 380 CD1 TYR A 25 11.369 14.198 -20.518 1.00 11.44 C ATOM 381 CD2 TYR A 25 10.815 13.874 -18.190 1.00 62.23 C ATOM 382 CE1 TYR A 25 12.441 15.021 -20.140 1.00 53.34 C ATOM 383 CE2 TYR A 25 11.884 14.682 -17.805 1.00 11.15 C ATOM 384 CZ TYR A 25 12.697 15.263 -18.782 1.00 2.51 C ATOM 385 OH TYR A 25 13.752 16.072 -18.412 1.00 70.55 O ATOM 0 H TYR A 25 7.917 12.069 -21.704 1.00 54.22 H new ATOM 0 HA TYR A 25 7.527 13.932 -19.536 1.00 51.11 H new ATOM 0 HB2 TYR A 25 9.060 12.156 -19.097 1.00 75.22 H new ATOM 0 HB3 TYR A 25 9.637 12.118 -20.751 1.00 75.22 H new ATOM 0 HD1 TYR A 25 11.173 14.006 -21.563 1.00 11.44 H new ATOM 0 HD2 TYR A 25 10.180 13.434 -17.436 1.00 62.23 H new ATOM 0 HE1 TYR A 25 13.070 15.469 -20.895 1.00 53.34 H new ATOM 0 HE2 TYR A 25 12.083 14.858 -16.758 1.00 11.15 H new ATOM 0 HH TYR A 25 13.788 16.136 -17.435 1.00 70.55 H new ATOM 395 N ARG A 26 8.984 15.079 -22.126 1.00 23.25 N ATOM 396 CA ARG A 26 9.536 16.338 -22.647 1.00 3.00 C ATOM 397 C ARG A 26 8.383 17.281 -22.820 1.00 72.12 C ATOM 398 O ARG A 26 8.420 18.407 -22.395 1.00 43.23 O ATOM 399 CB ARG A 26 10.225 15.991 -23.952 1.00 12.02 C ATOM 400 CG ARG A 26 11.476 16.846 -24.088 1.00 72.14 C ATOM 401 CD ARG A 26 11.433 17.608 -25.413 1.00 64.10 C ATOM 402 NE ARG A 26 12.307 16.829 -26.334 1.00 62.43 N ATOM 403 CZ ARG A 26 13.172 17.448 -27.093 1.00 73.10 C ATOM 404 NH1 ARG A 26 14.292 17.886 -26.586 1.00 64.10 N ATOM 405 NH2 ARG A 26 12.917 17.628 -28.359 1.00 21.12 N ATOM 0 H ARG A 26 8.829 14.341 -22.813 1.00 23.25 H new ATOM 0 HA ARG A 26 10.263 16.819 -21.992 1.00 3.00 H new ATOM 0 HB2 ARG A 26 10.487 14.933 -23.971 1.00 12.02 H new ATOM 0 HB3 ARG A 26 9.554 16.168 -24.792 1.00 12.02 H new ATOM 0 HG2 ARG A 26 11.542 17.547 -23.256 1.00 72.14 H new ATOM 0 HG3 ARG A 26 12.365 16.217 -24.047 1.00 72.14 H new ATOM 0 HD2 ARG A 26 10.415 17.675 -25.797 1.00 64.10 H new ATOM 0 HD3 ARG A 26 11.796 18.629 -25.293 1.00 64.10 H new ATOM 0 HE ARG A 26 12.230 15.813 -26.372 1.00 62.43 H new ATOM 0 HH11 ARG A 26 14.493 17.745 -25.596 1.00 64.10 H new ATOM 0 HH12 ARG A 26 14.966 18.369 -27.180 1.00 64.10 H new ATOM 0 HH21 ARG A 26 12.042 17.286 -28.757 1.00 21.12 H new ATOM 0 HH22 ARG A 26 13.592 18.111 -28.952 1.00 21.12 H new ATOM 419 N ARG A 27 7.315 16.790 -23.356 1.00 0.43 N ATOM 420 CA ARG A 27 6.117 17.643 -23.463 1.00 54.44 C ATOM 421 C ARG A 27 5.656 17.847 -22.038 1.00 51.44 C ATOM 422 O ARG A 27 5.175 18.886 -21.656 1.00 42.41 O ATOM 423 CB ARG A 27 5.089 16.856 -24.284 1.00 72.14 C ATOM 424 CG ARG A 27 4.656 15.590 -23.539 1.00 61.04 C ATOM 425 CD ARG A 27 3.498 14.935 -24.275 1.00 43.23 C ATOM 426 NE ARG A 27 2.316 15.791 -23.981 1.00 71.45 N ATOM 427 CZ ARG A 27 1.203 15.616 -24.639 1.00 2.31 C ATOM 428 NH1 ARG A 27 0.387 14.656 -24.298 1.00 10.53 N ATOM 429 NH2 ARG A 27 0.905 16.403 -25.637 1.00 32.21 N ATOM 0 H ARG A 27 7.219 15.843 -23.722 1.00 0.43 H new ATOM 0 HA ARG A 27 6.281 18.606 -23.946 1.00 54.44 H new ATOM 0 HB2 ARG A 27 4.219 17.482 -24.483 1.00 72.14 H new ATOM 0 HB3 ARG A 27 5.516 16.587 -25.250 1.00 72.14 H new ATOM 0 HG2 ARG A 27 5.493 14.895 -23.465 1.00 61.04 H new ATOM 0 HG3 ARG A 27 4.358 15.839 -22.521 1.00 61.04 H new ATOM 0 HD2 ARG A 27 3.691 14.884 -25.347 1.00 43.23 H new ATOM 0 HD3 ARG A 27 3.340 13.913 -23.931 1.00 43.23 H new ATOM 0 HE ARG A 27 2.376 16.515 -23.265 1.00 71.45 H new ATOM 0 HH11 ARG A 27 0.619 14.042 -23.517 1.00 10.53 H new ATOM 0 HH12 ARG A 27 -0.483 14.519 -24.813 1.00 10.53 H new ATOM 0 HH21 ARG A 27 1.542 17.154 -25.902 1.00 32.21 H new ATOM 0 HH22 ARG A 27 0.035 16.267 -26.152 1.00 32.21 H new ATOM 443 N LEU A 28 5.858 16.837 -21.242 1.00 72.22 N ATOM 444 CA LEU A 28 5.495 16.910 -19.811 1.00 71.11 C ATOM 445 C LEU A 28 6.432 17.790 -19.073 1.00 54.20 C ATOM 446 O LEU A 28 6.104 18.865 -18.682 1.00 41.30 O ATOM 447 CB LEU A 28 5.667 15.519 -19.268 1.00 12.25 C ATOM 448 CG LEU A 28 4.305 14.917 -19.129 1.00 60.21 C ATOM 449 CD1 LEU A 28 3.553 15.681 -18.094 1.00 24.02 C ATOM 450 CD2 LEU A 28 3.558 15.013 -20.420 1.00 53.21 C ATOM 0 H LEU A 28 6.267 15.949 -21.533 1.00 72.22 H new ATOM 0 HA LEU A 28 4.483 17.299 -19.700 1.00 71.11 H new ATOM 0 HB2 LEU A 28 6.284 14.920 -19.938 1.00 12.25 H new ATOM 0 HB3 LEU A 28 6.175 15.544 -18.304 1.00 12.25 H new ATOM 0 HG LEU A 28 4.405 13.869 -18.848 1.00 60.21 H new ATOM 0 HD11 LEU A 28 2.556 15.255 -17.980 1.00 24.02 H new ATOM 0 HD12 LEU A 28 4.083 15.624 -17.143 1.00 24.02 H new ATOM 0 HD13 LEU A 28 3.469 16.724 -18.401 1.00 24.02 H new ATOM 0 HD21 LEU A 28 2.569 14.570 -20.302 1.00 53.21 H new ATOM 0 HD22 LEU A 28 3.455 16.060 -20.704 1.00 53.21 H new ATOM 0 HD23 LEU A 28 4.104 14.478 -21.197 1.00 53.21 H new ATOM 462 N ALA A 29 7.606 17.320 -18.871 1.00 44.44 N ATOM 463 CA ALA A 29 8.577 18.114 -18.127 1.00 52.23 C ATOM 464 C ALA A 29 8.557 19.533 -18.660 1.00 72.32 C ATOM 465 O ALA A 29 8.803 20.479 -17.955 1.00 31.03 O ATOM 466 CB ALA A 29 9.893 17.473 -18.442 1.00 4.23 C ATOM 0 H ALA A 29 7.937 16.411 -19.193 1.00 44.44 H new ATOM 0 HA ALA A 29 8.377 18.150 -17.056 1.00 52.23 H new ATOM 0 HB1 ALA A 29 10.690 18.005 -17.923 1.00 4.23 H new ATOM 0 HB2 ALA A 29 9.879 16.433 -18.115 1.00 4.23 H new ATOM 0 HB3 ALA A 29 10.069 17.513 -19.517 1.00 4.23 H new ATOM 472 N ARG A 30 8.234 19.684 -19.908 1.00 33.44 N ATOM 473 CA ARG A 30 8.158 21.035 -20.476 1.00 43.43 C ATOM 474 C ARG A 30 6.824 21.648 -20.055 1.00 12.45 C ATOM 475 O ARG A 30 6.738 22.814 -19.724 1.00 45.02 O ATOM 476 CB ARG A 30 8.227 20.828 -21.975 1.00 22.23 C ATOM 477 CG ARG A 30 8.187 22.174 -22.676 1.00 34.45 C ATOM 478 CD ARG A 30 9.613 22.697 -22.829 1.00 5.41 C ATOM 479 NE ARG A 30 10.179 21.939 -23.980 1.00 73.20 N ATOM 480 CZ ARG A 30 9.954 22.338 -25.202 1.00 5.31 C ATOM 481 NH1 ARG A 30 9.982 23.612 -25.488 1.00 62.12 N ATOM 482 NH2 ARG A 30 9.702 21.465 -26.139 1.00 54.42 N ATOM 0 H ARG A 30 8.020 18.924 -20.554 1.00 33.44 H new ATOM 0 HA ARG A 30 8.951 21.705 -20.142 1.00 43.43 H new ATOM 0 HB2 ARG A 30 9.142 20.297 -22.237 1.00 22.23 H new ATOM 0 HB3 ARG A 30 7.393 20.209 -22.306 1.00 22.23 H new ATOM 0 HG2 ARG A 30 7.715 22.075 -23.654 1.00 34.45 H new ATOM 0 HG3 ARG A 30 7.587 22.880 -22.102 1.00 34.45 H new ATOM 0 HD2 ARG A 30 9.622 23.770 -23.020 1.00 5.41 H new ATOM 0 HD3 ARG A 30 10.194 22.530 -21.922 1.00 5.41 H new ATOM 0 HE ARG A 30 10.744 21.106 -23.813 1.00 73.20 H new ATOM 0 HH11 ARG A 30 10.180 24.295 -24.756 1.00 62.12 H new ATOM 0 HH12 ARG A 30 9.806 23.924 -26.443 1.00 62.12 H new ATOM 0 HH21 ARG A 30 9.681 20.470 -25.916 1.00 54.42 H new ATOM 0 HH22 ARG A 30 9.526 21.778 -27.094 1.00 54.42 H new ATOM 496 N LYS A 31 5.787 20.844 -20.009 1.00 42.21 N ATOM 497 CA LYS A 31 4.478 21.361 -19.547 1.00 23.44 C ATOM 498 C LYS A 31 4.458 21.240 -18.021 1.00 51.12 C ATOM 499 O LYS A 31 3.537 21.677 -17.357 1.00 11.34 O ATOM 500 CB LYS A 31 3.402 20.447 -20.204 1.00 53.51 C ATOM 501 CG LYS A 31 3.137 19.196 -19.335 1.00 35.13 C ATOM 502 CD LYS A 31 2.490 18.074 -20.119 1.00 73.24 C ATOM 503 CE LYS A 31 0.994 18.330 -20.266 1.00 43.21 C ATOM 504 NZ LYS A 31 0.854 19.139 -21.508 1.00 74.13 N ATOM 0 H LYS A 31 5.799 19.859 -20.272 1.00 42.21 H new ATOM 0 HA LYS A 31 4.294 22.401 -19.816 1.00 23.44 H new ATOM 0 HB2 LYS A 31 2.476 21.006 -20.336 1.00 53.51 H new ATOM 0 HB3 LYS A 31 3.735 20.142 -21.196 1.00 53.51 H new ATOM 0 HG2 LYS A 31 4.078 18.844 -18.913 1.00 35.13 H new ATOM 0 HG3 LYS A 31 2.494 19.468 -18.498 1.00 35.13 H new ATOM 0 HD2 LYS A 31 2.951 17.995 -21.103 1.00 73.24 H new ATOM 0 HD3 LYS A 31 2.656 17.123 -19.612 1.00 73.24 H new ATOM 0 HE2 LYS A 31 0.440 17.394 -20.342 1.00 43.21 H new ATOM 0 HE3 LYS A 31 0.600 18.865 -19.402 1.00 43.21 H new ATOM 0 HZ1 LYS A 31 0.508 20.089 -21.266 1.00 74.13 H new ATOM 0 HZ2 LYS A 31 1.779 19.217 -21.978 1.00 74.13 H new ATOM 0 HZ3 LYS A 31 0.178 18.677 -22.149 1.00 74.13 H new ATOM 518 N TYR A 32 5.462 20.582 -17.470 1.00 21.33 N ATOM 519 CA TYR A 32 5.519 20.329 -16.007 1.00 54.42 C ATOM 520 C TYR A 32 6.714 21.002 -15.341 1.00 53.12 C ATOM 521 O TYR A 32 6.729 21.145 -14.135 1.00 41.34 O ATOM 522 CB TYR A 32 5.717 18.816 -15.891 1.00 13.34 C ATOM 523 CG TYR A 32 4.405 18.106 -15.969 1.00 1.11 C ATOM 524 CD1 TYR A 32 3.347 18.689 -16.630 1.00 1.33 C ATOM 525 CD2 TYR A 32 4.265 16.860 -15.384 1.00 70.12 C ATOM 526 CE1 TYR A 32 2.117 18.038 -16.720 1.00 3.21 C ATOM 527 CE2 TYR A 32 3.036 16.190 -15.458 1.00 12.02 C ATOM 528 CZ TYR A 32 1.957 16.781 -16.130 1.00 10.10 C ATOM 529 OH TYR A 32 0.746 16.124 -16.211 1.00 51.32 O ATOM 0 H TYR A 32 6.253 20.208 -17.994 1.00 21.33 H new ATOM 0 HA TYR A 32 4.622 20.716 -15.523 1.00 54.42 H new ATOM 0 HB2 TYR A 32 6.373 18.468 -16.689 1.00 13.34 H new ATOM 0 HB3 TYR A 32 6.209 18.580 -14.948 1.00 13.34 H new ATOM 0 HD1 TYR A 32 3.471 19.661 -17.084 1.00 1.33 H new ATOM 0 HD2 TYR A 32 5.100 16.405 -14.872 1.00 70.12 H new ATOM 0 HE1 TYR A 32 1.293 18.502 -17.242 1.00 3.21 H new ATOM 0 HE2 TYR A 32 2.921 15.220 -14.998 1.00 12.02 H new ATOM 0 HH TYR A 32 0.035 16.771 -16.404 1.00 51.32 H new ATOM 539 N HIS A 33 7.737 21.393 -16.067 1.00 43.11 N ATOM 540 CA HIS A 33 8.878 22.002 -15.346 1.00 24.01 C ATOM 541 C HIS A 33 8.305 23.104 -14.479 1.00 61.11 C ATOM 542 O HIS A 33 7.736 24.047 -14.970 1.00 44.20 O ATOM 543 CB HIS A 33 9.888 22.515 -16.369 1.00 23.43 C ATOM 544 CG HIS A 33 11.098 22.881 -15.575 1.00 60.24 C ATOM 545 ND1 HIS A 33 11.145 24.059 -14.867 1.00 62.34 N ATOM 546 CD2 HIS A 33 12.210 22.171 -15.207 1.00 42.22 C ATOM 547 CE1 HIS A 33 12.230 24.018 -14.082 1.00 4.45 C ATOM 548 NE2 HIS A 33 12.927 22.891 -14.257 1.00 0.01 N ATOM 0 H HIS A 33 7.823 21.318 -17.081 1.00 43.11 H new ATOM 0 HA HIS A 33 9.408 21.293 -14.710 1.00 24.01 H new ATOM 0 HB2 HIS A 33 10.120 21.751 -17.111 1.00 23.43 H new ATOM 0 HB3 HIS A 33 9.497 23.376 -16.911 1.00 23.43 H new ATOM 0 HD2 HIS A 33 12.487 21.202 -15.595 1.00 42.22 H new ATOM 0 HE1 HIS A 33 12.508 24.801 -13.392 1.00 4.45 H new ATOM 0 HE2 HIS A 33 13.795 22.619 -13.795 1.00 0.01 H new ATOM 556 N PRO A 34 8.388 22.888 -13.204 1.00 55.32 N ATOM 557 CA PRO A 34 7.744 23.797 -12.241 1.00 51.10 C ATOM 558 C PRO A 34 8.083 25.272 -12.465 1.00 25.04 C ATOM 559 O PRO A 34 7.314 26.146 -12.119 1.00 54.23 O ATOM 560 CB PRO A 34 8.156 23.242 -10.893 1.00 51.31 C ATOM 561 CG PRO A 34 9.375 22.432 -11.178 1.00 72.15 C ATOM 562 CD PRO A 34 9.126 21.822 -12.527 1.00 34.12 C ATOM 0 HA PRO A 34 6.659 23.820 -12.345 1.00 51.10 H new ATOM 0 HB2 PRO A 34 8.368 24.041 -10.183 1.00 51.31 H new ATOM 0 HB3 PRO A 34 7.366 22.630 -10.458 1.00 51.31 H new ATOM 0 HG2 PRO A 34 10.270 23.054 -11.185 1.00 72.15 H new ATOM 0 HG3 PRO A 34 9.526 21.664 -10.419 1.00 72.15 H new ATOM 0 HD2 PRO A 34 10.054 21.576 -13.042 1.00 34.12 H new ATOM 0 HD3 PRO A 34 8.546 20.902 -12.459 1.00 34.12 H new ATOM 570 N ASP A 35 9.169 25.561 -13.102 1.00 54.14 N ATOM 571 CA ASP A 35 9.470 26.988 -13.412 1.00 22.23 C ATOM 572 C ASP A 35 8.426 27.453 -14.411 1.00 53.04 C ATOM 573 O ASP A 35 8.173 28.628 -14.596 1.00 24.10 O ATOM 574 CB ASP A 35 10.813 26.976 -14.124 1.00 53.35 C ATOM 575 CG ASP A 35 11.562 28.279 -13.839 1.00 32.43 C ATOM 576 OD1 ASP A 35 11.508 28.736 -12.709 1.00 2.44 O ATOM 577 OD2 ASP A 35 12.177 28.798 -14.756 1.00 53.11 O ATOM 0 H ASP A 35 9.861 24.884 -13.423 1.00 54.14 H new ATOM 0 HA ASP A 35 9.476 27.623 -12.526 1.00 22.23 H new ATOM 0 HB2 ASP A 35 11.405 26.125 -13.789 1.00 53.35 H new ATOM 0 HB3 ASP A 35 10.665 26.858 -15.197 1.00 53.35 H new ATOM 582 N VAL A 36 7.845 26.500 -15.072 1.00 31.12 N ATOM 583 CA VAL A 36 6.831 26.769 -16.100 1.00 72.32 C ATOM 584 C VAL A 36 6.056 25.473 -16.246 1.00 73.32 C ATOM 585 O VAL A 36 6.512 24.507 -16.825 1.00 25.41 O ATOM 586 CB VAL A 36 7.675 27.063 -17.364 1.00 64.31 C ATOM 587 CG1 VAL A 36 9.160 26.811 -17.065 1.00 73.34 C ATOM 588 CG2 VAL A 36 7.278 26.127 -18.500 1.00 54.53 C ATOM 0 H VAL A 36 8.045 25.510 -14.931 1.00 31.12 H new ATOM 0 HA VAL A 36 6.135 27.583 -15.896 1.00 72.32 H new ATOM 0 HB VAL A 36 7.502 28.101 -17.649 1.00 64.31 H new ATOM 0 HG11 VAL A 36 9.751 27.019 -17.957 1.00 73.34 H new ATOM 0 HG12 VAL A 36 9.484 27.464 -16.255 1.00 73.34 H new ATOM 0 HG13 VAL A 36 9.301 25.771 -16.771 1.00 73.34 H new ATOM 0 HG21 VAL A 36 7.881 26.348 -19.381 1.00 54.53 H new ATOM 0 HG22 VAL A 36 7.445 25.094 -18.195 1.00 54.53 H new ATOM 0 HG23 VAL A 36 6.224 26.270 -18.737 1.00 54.53 H new ATOM 598 N SER A 37 4.924 25.415 -15.695 1.00 35.31 N ATOM 599 CA SER A 37 4.182 24.157 -15.784 1.00 41.32 C ATOM 600 C SER A 37 2.693 24.362 -15.569 1.00 3.23 C ATOM 601 O SER A 37 2.293 25.138 -14.724 1.00 14.50 O ATOM 602 CB SER A 37 4.822 23.348 -14.694 1.00 22.33 C ATOM 603 OG SER A 37 4.099 23.533 -13.485 1.00 64.23 O ATOM 0 H SER A 37 4.468 26.172 -15.185 1.00 35.31 H new ATOM 0 HA SER A 37 4.232 23.677 -16.762 1.00 41.32 H new ATOM 0 HB2 SER A 37 4.832 22.293 -14.967 1.00 22.33 H new ATOM 0 HB3 SER A 37 5.860 23.653 -14.561 1.00 22.33 H new ATOM 0 HG SER A 37 4.568 24.182 -12.919 1.00 64.23 H new ATOM 609 N LYS A 38 1.854 23.663 -16.272 1.00 63.41 N ATOM 610 CA LYS A 38 0.415 23.853 -15.996 1.00 2.42 C ATOM 611 C LYS A 38 -0.214 22.547 -15.520 1.00 74.43 C ATOM 612 O LYS A 38 -1.042 21.950 -16.178 1.00 73.30 O ATOM 613 CB LYS A 38 -0.206 24.333 -17.309 1.00 21.04 C ATOM 614 CG LYS A 38 -0.215 25.863 -17.345 1.00 1.43 C ATOM 615 CD LYS A 38 -1.495 26.382 -16.686 1.00 12.40 C ATOM 616 CE LYS A 38 -1.287 27.828 -16.226 1.00 71.23 C ATOM 617 NZ LYS A 38 -2.422 28.588 -16.818 1.00 21.02 N ATOM 0 H LYS A 38 2.092 22.991 -17.001 1.00 63.41 H new ATOM 0 HA LYS A 38 0.246 24.580 -15.202 1.00 2.42 H new ATOM 0 HB2 LYS A 38 0.360 23.943 -18.155 1.00 21.04 H new ATOM 0 HB3 LYS A 38 -1.223 23.951 -17.403 1.00 21.04 H new ATOM 0 HG2 LYS A 38 0.659 26.255 -16.825 1.00 1.43 H new ATOM 0 HG3 LYS A 38 -0.156 26.213 -18.375 1.00 1.43 H new ATOM 0 HD2 LYS A 38 -2.325 26.330 -17.390 1.00 12.40 H new ATOM 0 HD3 LYS A 38 -1.758 25.754 -15.835 1.00 12.40 H new ATOM 0 HE2 LYS A 38 -1.288 27.900 -15.138 1.00 71.23 H new ATOM 0 HE3 LYS A 38 -0.329 28.218 -16.570 1.00 71.23 H new ATOM 0 HZ1 LYS A 38 -2.348 29.589 -16.547 1.00 21.02 H new ATOM 0 HZ2 LYS A 38 -2.391 28.507 -17.854 1.00 21.02 H new ATOM 0 HZ3 LYS A 38 -3.321 28.199 -16.467 1.00 21.02 H new ATOM 631 N GLU A 39 0.169 22.133 -14.348 1.00 4.54 N ATOM 632 CA GLU A 39 -0.382 20.902 -13.737 1.00 3.12 C ATOM 633 C GLU A 39 -0.658 21.210 -12.263 1.00 74.32 C ATOM 634 O GLU A 39 0.000 22.052 -11.685 1.00 12.44 O ATOM 635 CB GLU A 39 0.733 19.871 -13.918 1.00 22.25 C ATOM 636 CG GLU A 39 0.373 18.553 -13.246 1.00 51.15 C ATOM 637 CD GLU A 39 -0.392 17.673 -14.237 1.00 31.02 C ATOM 638 OE1 GLU A 39 -0.389 18.001 -15.412 1.00 70.23 O ATOM 639 OE2 GLU A 39 -0.969 16.690 -13.805 1.00 74.22 O ATOM 0 H GLU A 39 0.862 22.613 -13.774 1.00 4.54 H new ATOM 0 HA GLU A 39 -1.313 20.540 -14.173 1.00 3.12 H new ATOM 0 HB2 GLU A 39 0.910 19.705 -14.981 1.00 22.25 H new ATOM 0 HB3 GLU A 39 1.661 20.256 -13.496 1.00 22.25 H new ATOM 0 HG2 GLU A 39 1.277 18.043 -12.912 1.00 51.15 H new ATOM 0 HG3 GLU A 39 -0.235 18.737 -12.361 1.00 51.15 H new ATOM 646 N PRO A 40 -1.609 20.535 -11.692 1.00 72.33 N ATOM 647 CA PRO A 40 -1.945 20.771 -10.263 1.00 4.33 C ATOM 648 C PRO A 40 -0.721 20.543 -9.375 1.00 4.31 C ATOM 649 O PRO A 40 -0.667 20.978 -8.242 1.00 31.34 O ATOM 650 CB PRO A 40 -3.056 19.757 -9.997 1.00 3.42 C ATOM 651 CG PRO A 40 -2.873 18.721 -11.057 1.00 4.10 C ATOM 652 CD PRO A 40 -2.448 19.490 -12.278 1.00 40.30 C ATOM 0 HA PRO A 40 -2.259 21.792 -10.046 1.00 4.33 H new ATOM 0 HB2 PRO A 40 -2.970 19.325 -9.000 1.00 3.42 H new ATOM 0 HB3 PRO A 40 -4.041 20.220 -10.060 1.00 3.42 H new ATOM 0 HG2 PRO A 40 -2.119 17.989 -10.768 1.00 4.10 H new ATOM 0 HG3 PRO A 40 -3.797 18.172 -11.237 1.00 4.10 H new ATOM 0 HD2 PRO A 40 -1.895 18.868 -12.982 1.00 40.30 H new ATOM 0 HD3 PRO A 40 -3.299 19.904 -12.818 1.00 40.30 H new ATOM 660 N ASP A 41 0.264 19.878 -9.897 1.00 11.34 N ATOM 661 CA ASP A 41 1.510 19.623 -9.115 1.00 42.43 C ATOM 662 C ASP A 41 2.692 19.407 -10.069 1.00 73.11 C ATOM 663 O ASP A 41 3.580 18.633 -9.798 1.00 3.11 O ATOM 664 CB ASP A 41 1.229 18.345 -8.320 1.00 41.43 C ATOM 665 CG ASP A 41 0.347 18.669 -7.111 1.00 3.12 C ATOM 666 OD1 ASP A 41 0.618 19.659 -6.452 1.00 35.22 O ATOM 667 OD2 ASP A 41 -0.582 17.917 -6.863 1.00 71.51 O ATOM 0 H ASP A 41 0.264 19.494 -10.842 1.00 11.34 H new ATOM 0 HA ASP A 41 1.767 20.459 -8.464 1.00 42.43 H new ATOM 0 HB2 ASP A 41 0.734 17.611 -8.956 1.00 41.43 H new ATOM 0 HB3 ASP A 41 2.166 17.899 -7.988 1.00 41.43 H new ATOM 672 N ALA A 42 2.697 20.081 -11.188 1.00 41.03 N ATOM 673 CA ALA A 42 3.809 19.902 -12.176 1.00 32.23 C ATOM 674 C ALA A 42 5.165 19.856 -11.476 1.00 22.14 C ATOM 675 O ALA A 42 6.032 19.119 -11.870 1.00 3.15 O ATOM 676 CB ALA A 42 3.742 21.099 -13.120 1.00 12.51 C ATOM 0 H ALA A 42 1.979 20.750 -11.464 1.00 41.03 H new ATOM 0 HA ALA A 42 3.699 18.960 -12.714 1.00 32.23 H new ATOM 0 HB1 ALA A 42 4.534 21.020 -13.865 1.00 12.51 H new ATOM 0 HB2 ALA A 42 2.774 21.114 -13.620 1.00 12.51 H new ATOM 0 HB3 ALA A 42 3.870 22.019 -12.550 1.00 12.51 H new ATOM 682 N GLU A 43 5.378 20.596 -10.428 1.00 31.13 N ATOM 683 CA GLU A 43 6.703 20.475 -9.767 1.00 5.14 C ATOM 684 C GLU A 43 6.851 19.004 -9.395 1.00 12.11 C ATOM 685 O GLU A 43 7.853 18.359 -9.655 1.00 71.44 O ATOM 686 CB GLU A 43 6.647 21.391 -8.532 1.00 33.21 C ATOM 687 CG GLU A 43 6.000 20.662 -7.350 1.00 42.11 C ATOM 688 CD GLU A 43 6.090 21.534 -6.097 1.00 55.35 C ATOM 689 OE1 GLU A 43 6.900 22.446 -6.089 1.00 15.32 O ATOM 690 OE2 GLU A 43 5.344 21.276 -5.166 1.00 33.23 O ATOM 0 H GLU A 43 4.720 21.256 -10.012 1.00 31.13 H new ATOM 0 HA GLU A 43 7.553 20.770 -10.382 1.00 5.14 H new ATOM 0 HB2 GLU A 43 7.654 21.710 -8.263 1.00 33.21 H new ATOM 0 HB3 GLU A 43 6.079 22.292 -8.766 1.00 33.21 H new ATOM 0 HG2 GLU A 43 4.957 20.438 -7.575 1.00 42.11 H new ATOM 0 HG3 GLU A 43 6.501 19.709 -7.179 1.00 42.11 H new ATOM 697 N ALA A 44 5.803 18.469 -8.841 1.00 71.31 N ATOM 698 CA ALA A 44 5.772 17.036 -8.476 1.00 21.51 C ATOM 699 C ALA A 44 5.569 16.214 -9.729 1.00 42.35 C ATOM 700 O ALA A 44 6.324 15.321 -10.040 1.00 2.31 O ATOM 701 CB ALA A 44 4.529 16.912 -7.625 1.00 12.33 C ATOM 0 H ALA A 44 4.948 18.980 -8.622 1.00 71.31 H new ATOM 0 HA ALA A 44 6.682 16.702 -7.978 1.00 21.51 H new ATOM 0 HB1 ALA A 44 4.413 15.878 -7.300 1.00 12.33 H new ATOM 0 HB2 ALA A 44 4.619 17.559 -6.753 1.00 12.33 H new ATOM 0 HB3 ALA A 44 3.658 17.209 -8.208 1.00 12.33 H new ATOM 707 N ARG A 45 4.533 16.529 -10.449 1.00 5.33 N ATOM 708 CA ARG A 45 4.244 15.796 -11.689 1.00 24.23 C ATOM 709 C ARG A 45 5.505 15.800 -12.551 1.00 63.13 C ATOM 710 O ARG A 45 5.993 14.767 -12.958 1.00 21.30 O ATOM 711 CB ARG A 45 3.108 16.582 -12.348 1.00 11.31 C ATOM 712 CG ARG A 45 1.825 15.743 -12.392 1.00 3.44 C ATOM 713 CD ARG A 45 2.146 14.301 -12.804 1.00 3.30 C ATOM 714 NE ARG A 45 0.964 13.849 -13.595 1.00 73.14 N ATOM 715 CZ ARG A 45 -0.064 13.310 -12.994 1.00 42.31 C ATOM 716 NH1 ARG A 45 -0.388 13.681 -11.786 1.00 43.22 N ATOM 717 NH2 ARG A 45 -0.772 12.400 -13.605 1.00 32.42 N ATOM 0 H ARG A 45 3.872 17.272 -10.222 1.00 5.33 H new ATOM 0 HA ARG A 45 3.957 14.756 -11.534 1.00 24.23 H new ATOM 0 HB2 ARG A 45 2.927 17.503 -11.794 1.00 11.31 H new ATOM 0 HB3 ARG A 45 3.396 16.869 -13.359 1.00 11.31 H new ATOM 0 HG2 ARG A 45 1.344 15.750 -11.414 1.00 3.44 H new ATOM 0 HG3 ARG A 45 1.120 16.182 -13.098 1.00 3.44 H new ATOM 0 HD2 ARG A 45 3.059 14.255 -13.398 1.00 3.30 H new ATOM 0 HD3 ARG A 45 2.302 13.667 -11.931 1.00 3.30 H new ATOM 0 HE ARG A 45 0.958 13.961 -14.609 1.00 73.14 H new ATOM 0 HH11 ARG A 45 0.162 14.394 -11.307 1.00 43.22 H new ATOM 0 HH12 ARG A 45 -1.191 13.258 -11.321 1.00 43.22 H new ATOM 0 HH21 ARG A 45 -0.523 12.110 -14.551 1.00 32.42 H new ATOM 0 HH22 ARG A 45 -1.574 11.979 -13.137 1.00 32.42 H new ATOM 731 N PHE A 46 6.065 16.957 -12.795 1.00 32.04 N ATOM 732 CA PHE A 46 7.322 17.006 -13.590 1.00 63.43 C ATOM 733 C PHE A 46 8.289 16.039 -12.963 1.00 14.31 C ATOM 734 O PHE A 46 8.753 15.107 -13.585 1.00 41.24 O ATOM 735 CB PHE A 46 7.902 18.407 -13.423 1.00 60.32 C ATOM 736 CG PHE A 46 9.268 18.449 -14.066 1.00 12.14 C ATOM 737 CD1 PHE A 46 10.373 17.912 -13.398 1.00 0.11 C ATOM 738 CD2 PHE A 46 9.431 19.040 -15.320 1.00 22.44 C ATOM 739 CE1 PHE A 46 11.642 17.972 -13.984 1.00 72.24 C ATOM 740 CE2 PHE A 46 10.698 19.097 -15.909 1.00 34.23 C ATOM 741 CZ PHE A 46 11.805 18.566 -15.240 1.00 73.21 C ATOM 0 H PHE A 46 5.709 17.860 -12.481 1.00 32.04 H new ATOM 0 HA PHE A 46 7.146 16.766 -14.639 1.00 63.43 H new ATOM 0 HB2 PHE A 46 7.245 19.145 -13.884 1.00 60.32 H new ATOM 0 HB3 PHE A 46 7.975 18.662 -12.366 1.00 60.32 H new ATOM 0 HD1 PHE A 46 10.247 17.451 -12.430 1.00 0.11 H new ATOM 0 HD2 PHE A 46 8.577 19.454 -15.836 1.00 22.44 H new ATOM 0 HE1 PHE A 46 12.496 17.560 -13.467 1.00 72.24 H new ATOM 0 HE2 PHE A 46 10.822 19.551 -16.881 1.00 34.23 H new ATOM 0 HZ PHE A 46 12.785 18.614 -15.692 1.00 73.21 H new ATOM 751 N LYS A 47 8.590 16.243 -11.709 1.00 70.44 N ATOM 752 CA LYS A 47 9.516 15.310 -11.056 1.00 72.44 C ATOM 753 C LYS A 47 8.982 13.907 -11.281 1.00 43.34 C ATOM 754 O LYS A 47 9.729 12.990 -11.541 1.00 32.22 O ATOM 755 CB LYS A 47 9.522 15.673 -9.578 1.00 3.43 C ATOM 756 CG LYS A 47 10.397 16.909 -9.366 1.00 32.21 C ATOM 757 CD LYS A 47 11.398 16.637 -8.240 1.00 72.43 C ATOM 758 CE LYS A 47 10.707 16.810 -6.886 1.00 45.05 C ATOM 759 NZ LYS A 47 10.816 18.264 -6.578 1.00 1.04 N ATOM 0 H LYS A 47 8.237 17.003 -11.128 1.00 70.44 H new ATOM 0 HA LYS A 47 10.532 15.362 -11.448 1.00 72.44 H new ATOM 0 HB2 LYS A 47 8.506 15.869 -9.236 1.00 3.43 H new ATOM 0 HB3 LYS A 47 9.902 14.839 -8.988 1.00 3.43 H new ATOM 0 HG2 LYS A 47 10.926 17.155 -10.286 1.00 32.21 H new ATOM 0 HG3 LYS A 47 9.776 17.769 -9.115 1.00 32.21 H new ATOM 0 HD2 LYS A 47 11.796 15.626 -8.330 1.00 72.43 H new ATOM 0 HD3 LYS A 47 12.243 17.321 -8.318 1.00 72.43 H new ATOM 0 HE2 LYS A 47 9.665 16.494 -6.932 1.00 45.05 H new ATOM 0 HE3 LYS A 47 11.190 16.207 -6.117 1.00 45.05 H new ATOM 0 HZ1 LYS A 47 10.079 18.530 -5.894 1.00 1.04 H new ATOM 0 HZ2 LYS A 47 11.753 18.464 -6.172 1.00 1.04 H new ATOM 0 HZ3 LYS A 47 10.693 18.814 -7.452 1.00 1.04 H new ATOM 773 N GLU A 48 7.679 13.741 -11.240 1.00 65.53 N ATOM 774 CA GLU A 48 7.112 12.418 -11.513 1.00 51.40 C ATOM 775 C GLU A 48 7.536 12.043 -12.908 1.00 23.32 C ATOM 776 O GLU A 48 7.905 10.921 -13.192 1.00 12.44 O ATOM 777 CB GLU A 48 5.606 12.601 -11.458 1.00 20.51 C ATOM 778 CG GLU A 48 5.076 11.800 -10.303 1.00 41.53 C ATOM 779 CD GLU A 48 3.883 12.517 -9.668 1.00 32.30 C ATOM 780 OE1 GLU A 48 3.977 13.717 -9.467 1.00 12.54 O ATOM 781 OE2 GLU A 48 2.897 11.854 -9.391 1.00 2.15 O ATOM 0 H GLU A 48 7.001 14.473 -11.028 1.00 65.53 H new ATOM 0 HA GLU A 48 7.434 11.647 -10.812 1.00 51.40 H new ATOM 0 HB2 GLU A 48 5.356 13.655 -11.336 1.00 20.51 H new ATOM 0 HB3 GLU A 48 5.149 12.271 -12.391 1.00 20.51 H new ATOM 0 HG2 GLU A 48 4.775 10.810 -10.645 1.00 41.53 H new ATOM 0 HG3 GLU A 48 5.861 11.656 -9.560 1.00 41.53 H new ATOM 788 N VAL A 49 7.495 12.991 -13.788 1.00 52.41 N ATOM 789 CA VAL A 49 7.912 12.701 -15.165 1.00 51.00 C ATOM 790 C VAL A 49 9.356 12.448 -15.169 1.00 11.33 C ATOM 791 O VAL A 49 9.815 11.426 -15.530 1.00 44.14 O ATOM 792 CB VAL A 49 7.709 13.951 -15.950 1.00 53.33 C ATOM 793 CG1 VAL A 49 7.991 13.629 -17.383 1.00 3.22 C ATOM 794 CG2 VAL A 49 6.302 14.405 -15.795 1.00 51.43 C ATOM 0 H VAL A 49 7.192 13.948 -13.610 1.00 52.41 H new ATOM 0 HA VAL A 49 7.358 11.853 -15.566 1.00 51.00 H new ATOM 0 HB VAL A 49 8.369 14.746 -15.603 1.00 53.33 H new ATOM 0 HG11 VAL A 49 7.852 14.523 -17.991 1.00 3.22 H new ATOM 0 HG12 VAL A 49 9.018 13.279 -17.482 1.00 3.22 H new ATOM 0 HG13 VAL A 49 7.308 12.850 -17.722 1.00 3.22 H new ATOM 0 HG21 VAL A 49 6.150 15.320 -16.368 1.00 51.43 H new ATOM 0 HG22 VAL A 49 5.627 13.631 -16.161 1.00 51.43 H new ATOM 0 HG23 VAL A 49 6.096 14.598 -14.742 1.00 51.43 H new ATOM 804 N ALA A 50 10.074 13.398 -14.744 1.00 23.23 N ATOM 805 CA ALA A 50 11.513 13.246 -14.701 1.00 1.24 C ATOM 806 C ALA A 50 11.839 11.902 -14.062 1.00 55.10 C ATOM 807 O ALA A 50 12.549 11.117 -14.634 1.00 44.10 O ATOM 808 CB ALA A 50 11.891 14.405 -13.850 1.00 62.10 C ATOM 0 H ALA A 50 9.720 14.297 -14.416 1.00 23.23 H new ATOM 0 HA ALA A 50 12.036 13.244 -15.657 1.00 1.24 H new ATOM 0 HB1 ALA A 50 12.973 14.426 -13.723 1.00 62.10 H new ATOM 0 HB2 ALA A 50 11.564 15.329 -14.327 1.00 62.10 H new ATOM 0 HB3 ALA A 50 11.413 14.312 -12.875 1.00 62.10 H new ATOM 814 N GLU A 51 11.270 11.592 -12.923 1.00 42.42 N ATOM 815 CA GLU A 51 11.529 10.249 -12.340 1.00 31.12 C ATOM 816 C GLU A 51 10.943 9.216 -13.272 1.00 13.24 C ATOM 817 O GLU A 51 11.568 8.219 -13.562 1.00 15.25 O ATOM 818 CB GLU A 51 10.853 10.214 -10.984 1.00 30.42 C ATOM 819 CG GLU A 51 9.346 10.151 -11.124 1.00 42.12 C ATOM 820 CD GLU A 51 8.729 9.838 -9.758 1.00 53.30 C ATOM 821 OE1 GLU A 51 8.751 8.681 -9.373 1.00 51.33 O ATOM 822 OE2 GLU A 51 8.253 10.760 -9.118 1.00 11.54 O ATOM 0 H GLU A 51 10.651 12.199 -12.385 1.00 42.42 H new ATOM 0 HA GLU A 51 12.592 10.042 -12.219 1.00 31.12 H new ATOM 0 HB2 GLU A 51 11.205 9.349 -10.422 1.00 30.42 H new ATOM 0 HB3 GLU A 51 11.131 11.100 -10.413 1.00 30.42 H new ATOM 0 HG2 GLU A 51 8.963 11.099 -11.501 1.00 42.12 H new ATOM 0 HG3 GLU A 51 9.067 9.385 -11.847 1.00 42.12 H new ATOM 829 N ALA A 52 9.782 9.470 -13.817 1.00 23.32 N ATOM 830 CA ALA A 52 9.252 8.506 -14.802 1.00 42.20 C ATOM 831 C ALA A 52 10.271 8.510 -15.893 1.00 55.32 C ATOM 832 O ALA A 52 10.884 7.569 -16.307 1.00 42.04 O ATOM 833 CB ALA A 52 7.992 9.138 -15.359 1.00 63.15 C ATOM 0 H ALA A 52 9.197 10.283 -13.624 1.00 23.32 H new ATOM 0 HA ALA A 52 9.057 7.511 -14.402 1.00 42.20 H new ATOM 0 HB1 ALA A 52 7.547 8.472 -16.098 1.00 63.15 H new ATOM 0 HB2 ALA A 52 7.282 9.308 -14.550 1.00 63.15 H new ATOM 0 HB3 ALA A 52 8.240 10.089 -15.830 1.00 63.15 H new ATOM 839 N TRP A 53 10.462 9.612 -16.334 1.00 13.53 N ATOM 840 CA TRP A 53 11.427 9.823 -17.355 1.00 4.05 C ATOM 841 C TRP A 53 12.750 9.166 -16.954 1.00 63.03 C ATOM 842 O TRP A 53 13.459 8.670 -17.795 1.00 54.15 O ATOM 843 CB TRP A 53 11.482 11.309 -17.418 1.00 4.42 C ATOM 844 CG TRP A 53 12.497 11.634 -18.388 1.00 51.31 C ATOM 845 CD1 TRP A 53 13.538 12.432 -18.200 1.00 73.42 C ATOM 846 CD2 TRP A 53 12.581 11.116 -19.694 1.00 4.03 C ATOM 847 NE1 TRP A 53 14.308 12.418 -19.346 1.00 2.43 N ATOM 848 CE2 TRP A 53 13.735 11.605 -20.304 1.00 52.40 C ATOM 849 CE3 TRP A 53 11.756 10.258 -20.395 1.00 33.13 C ATOM 850 CZ2 TRP A 53 14.060 11.236 -21.588 1.00 22.33 C ATOM 851 CZ3 TRP A 53 12.058 9.893 -21.667 1.00 23.12 C ATOM 852 CH2 TRP A 53 13.220 10.371 -22.283 1.00 22.11 C ATOM 0 H TRP A 53 9.970 10.451 -16.027 1.00 13.53 H new ATOM 0 HA TRP A 53 11.197 9.387 -18.327 1.00 4.05 H new ATOM 0 HB2 TRP A 53 10.517 11.722 -17.711 1.00 4.42 H new ATOM 0 HB3 TRP A 53 11.726 11.731 -16.443 1.00 4.42 H new ATOM 0 HD1 TRP A 53 13.748 12.997 -17.304 1.00 73.42 H new ATOM 0 HE1 TRP A 53 15.178 12.936 -19.468 1.00 2.43 H new ATOM 0 HE3 TRP A 53 10.862 9.874 -19.926 1.00 33.13 H new ATOM 0 HZ2 TRP A 53 14.959 11.614 -22.053 1.00 22.33 H new ATOM 0 HZ3 TRP A 53 11.398 9.230 -22.207 1.00 23.12 H new ATOM 0 HH2 TRP A 53 13.463 10.071 -23.291 1.00 22.11 H new ATOM 863 N GLU A 54 13.072 9.062 -15.681 1.00 15.23 N ATOM 864 CA GLU A 54 14.320 8.320 -15.376 1.00 72.43 C ATOM 865 C GLU A 54 14.033 6.931 -15.861 1.00 0.12 C ATOM 866 O GLU A 54 14.514 6.487 -16.869 1.00 50.31 O ATOM 867 CB GLU A 54 14.462 8.234 -13.849 1.00 43.53 C ATOM 868 CG GLU A 54 14.660 9.598 -13.232 1.00 2.42 C ATOM 869 CD GLU A 54 16.138 9.985 -13.287 1.00 41.14 C ATOM 870 OE1 GLU A 54 16.936 9.283 -12.689 1.00 31.40 O ATOM 871 OE2 GLU A 54 16.447 10.978 -13.926 1.00 62.13 O ATOM 0 H GLU A 54 12.552 9.438 -14.888 1.00 15.23 H new ATOM 0 HA GLU A 54 15.208 8.776 -15.815 1.00 72.43 H new ATOM 0 HB2 GLU A 54 13.572 7.768 -13.426 1.00 43.53 H new ATOM 0 HB3 GLU A 54 15.307 7.594 -13.597 1.00 43.53 H new ATOM 0 HG2 GLU A 54 14.062 10.338 -13.764 1.00 2.42 H new ATOM 0 HG3 GLU A 54 14.315 9.593 -12.198 1.00 2.42 H new ATOM 878 N VAL A 55 13.133 6.302 -15.176 1.00 71.11 N ATOM 879 CA VAL A 55 12.671 4.960 -15.561 1.00 0.31 C ATOM 880 C VAL A 55 12.460 4.873 -17.013 1.00 43.11 C ATOM 881 O VAL A 55 13.092 4.129 -17.694 1.00 71.12 O ATOM 882 CB VAL A 55 11.325 4.773 -14.857 1.00 20.01 C ATOM 883 CG1 VAL A 55 11.502 4.173 -13.491 1.00 15.31 C ATOM 884 CG2 VAL A 55 10.638 6.064 -14.664 1.00 35.11 C ATOM 0 H VAL A 55 12.687 6.678 -14.339 1.00 71.11 H new ATOM 0 HA VAL A 55 13.405 4.203 -15.285 1.00 0.31 H new ATOM 0 HB VAL A 55 10.739 4.113 -15.497 1.00 20.01 H new ATOM 0 HG11 VAL A 55 10.528 4.053 -13.017 1.00 15.31 H new ATOM 0 HG12 VAL A 55 11.984 3.200 -13.581 1.00 15.31 H new ATOM 0 HG13 VAL A 55 12.123 4.831 -12.882 1.00 15.31 H new ATOM 0 HG21 VAL A 55 9.685 5.898 -14.162 1.00 35.11 H new ATOM 0 HG22 VAL A 55 11.260 6.720 -14.055 1.00 35.11 H new ATOM 0 HG23 VAL A 55 10.461 6.530 -15.633 1.00 35.11 H new ATOM 894 N LEU A 56 11.595 5.638 -17.483 1.00 14.13 N ATOM 895 CA LEU A 56 11.299 5.592 -18.899 1.00 3.04 C ATOM 896 C LEU A 56 12.552 5.865 -19.715 1.00 34.02 C ATOM 897 O LEU A 56 12.798 5.243 -20.729 1.00 71.14 O ATOM 898 CB LEU A 56 10.223 6.631 -19.062 1.00 2.34 C ATOM 899 CG LEU A 56 9.194 6.519 -17.946 1.00 32.31 C ATOM 900 CD1 LEU A 56 7.914 7.111 -18.395 1.00 41.24 C ATOM 901 CD2 LEU A 56 8.986 5.078 -17.566 1.00 53.44 C ATOM 0 H LEU A 56 11.057 6.317 -16.944 1.00 14.13 H new ATOM 0 HA LEU A 56 10.961 4.620 -19.258 1.00 3.04 H new ATOM 0 HB2 LEU A 56 10.667 7.626 -19.055 1.00 2.34 H new ATOM 0 HB3 LEU A 56 9.734 6.507 -20.028 1.00 2.34 H new ATOM 0 HG LEU A 56 9.559 7.059 -17.072 1.00 32.31 H new ATOM 0 HD11 LEU A 56 7.176 7.031 -17.597 1.00 41.24 H new ATOM 0 HD12 LEU A 56 8.067 8.161 -18.645 1.00 41.24 H new ATOM 0 HD13 LEU A 56 7.555 6.577 -19.275 1.00 41.24 H new ATOM 0 HD21 LEU A 56 8.247 5.015 -16.767 1.00 53.44 H new ATOM 0 HD22 LEU A 56 8.631 4.521 -18.433 1.00 53.44 H new ATOM 0 HD23 LEU A 56 9.929 4.653 -17.223 1.00 53.44 H new ATOM 913 N SER A 57 13.362 6.758 -19.256 1.00 14.02 N ATOM 914 CA SER A 57 14.638 7.041 -19.990 1.00 52.21 C ATOM 915 C SER A 57 15.782 6.221 -19.377 1.00 72.24 C ATOM 916 O SER A 57 16.943 6.447 -19.657 1.00 23.14 O ATOM 917 CB SER A 57 14.902 8.539 -19.837 1.00 72.43 C ATOM 918 OG SER A 57 15.635 8.768 -18.641 1.00 2.04 O ATOM 0 H SER A 57 13.210 7.309 -18.411 1.00 14.02 H new ATOM 0 HA SER A 57 14.567 6.767 -21.043 1.00 52.21 H new ATOM 0 HB2 SER A 57 15.460 8.911 -20.696 1.00 72.43 H new ATOM 0 HB3 SER A 57 13.959 9.085 -19.809 1.00 72.43 H new ATOM 0 HG SER A 57 15.035 9.122 -17.952 1.00 2.04 H new ATOM 924 N ASP A 58 15.456 5.266 -18.543 1.00 54.34 N ATOM 925 CA ASP A 58 16.509 4.419 -17.910 1.00 45.23 C ATOM 926 C ASP A 58 16.241 2.954 -18.210 1.00 74.13 C ATOM 927 O ASP A 58 15.291 2.383 -17.711 1.00 40.25 O ATOM 928 CB ASP A 58 16.395 4.621 -16.394 1.00 13.44 C ATOM 929 CG ASP A 58 17.789 4.810 -15.795 1.00 12.54 C ATOM 930 OD1 ASP A 58 18.506 3.829 -15.695 1.00 1.50 O ATOM 931 OD2 ASP A 58 18.115 5.933 -15.447 1.00 43.12 O ATOM 0 H ASP A 58 14.500 5.036 -18.273 1.00 54.34 H new ATOM 0 HA ASP A 58 17.494 4.692 -18.288 1.00 45.23 H new ATOM 0 HB2 ASP A 58 15.775 5.491 -16.179 1.00 13.44 H new ATOM 0 HB3 ASP A 58 15.906 3.760 -15.938 1.00 13.44 H new ATOM 936 N GLU A 59 17.067 2.323 -18.987 1.00 42.11 N ATOM 937 CA GLU A 59 16.830 0.885 -19.254 1.00 51.43 C ATOM 938 C GLU A 59 16.563 0.188 -17.920 1.00 54.35 C ATOM 939 O GLU A 59 15.747 -0.708 -17.825 1.00 33.14 O ATOM 940 CB GLU A 59 18.123 0.369 -19.888 1.00 24.23 C ATOM 941 CG GLU A 59 18.062 0.563 -21.404 1.00 60.54 C ATOM 942 CD GLU A 59 18.860 1.809 -21.791 1.00 21.01 C ATOM 943 OE1 GLU A 59 18.380 2.901 -21.531 1.00 14.21 O ATOM 944 OE2 GLU A 59 19.938 1.651 -22.341 1.00 40.31 O ATOM 0 H GLU A 59 17.883 2.732 -19.442 1.00 42.11 H new ATOM 0 HA GLU A 59 15.978 0.703 -19.909 1.00 51.43 H new ATOM 0 HB2 GLU A 59 18.980 0.902 -19.477 1.00 24.23 H new ATOM 0 HB3 GLU A 59 18.261 -0.686 -19.651 1.00 24.23 H new ATOM 0 HG2 GLU A 59 18.467 -0.313 -21.910 1.00 60.54 H new ATOM 0 HG3 GLU A 59 17.026 0.667 -21.727 1.00 60.54 H new ATOM 951 N GLN A 60 17.228 0.619 -16.874 1.00 52.02 N ATOM 952 CA GLN A 60 17.001 -0.007 -15.549 1.00 14.13 C ATOM 953 C GLN A 60 15.740 0.562 -14.910 1.00 44.13 C ATOM 954 O GLN A 60 14.794 -0.155 -14.670 1.00 3.51 O ATOM 955 CB GLN A 60 18.235 0.322 -14.715 1.00 53.44 C ATOM 956 CG GLN A 60 18.634 -0.921 -13.921 1.00 0.11 C ATOM 957 CD GLN A 60 19.922 -0.643 -13.140 1.00 74.13 C ATOM 958 OE1 GLN A 60 20.123 0.451 -12.650 1.00 35.32 O ATOM 959 NE2 GLN A 60 20.809 -1.591 -13.003 1.00 45.11 N ATOM 0 H GLN A 60 17.913 1.374 -16.888 1.00 52.02 H new ATOM 0 HA GLN A 60 16.858 -1.085 -15.626 1.00 14.13 H new ATOM 0 HB2 GLN A 60 19.055 0.637 -15.361 1.00 53.44 H new ATOM 0 HB3 GLN A 60 18.025 1.151 -14.039 1.00 53.44 H new ATOM 0 HG2 GLN A 60 17.834 -1.198 -13.235 1.00 0.11 H new ATOM 0 HG3 GLN A 60 18.781 -1.764 -14.596 1.00 0.11 H new ATOM 0 HE21 GLN A 60 20.641 -2.509 -13.414 1.00 45.11 H new ATOM 0 HE22 GLN A 60 21.670 -1.413 -12.485 1.00 45.11 H new ATOM 968 N ARG A 61 15.687 1.836 -14.627 1.00 63.43 N ATOM 969 CA ARG A 61 14.435 2.341 -14.013 1.00 54.24 C ATOM 970 C ARG A 61 13.253 1.959 -14.916 1.00 52.13 C ATOM 971 O ARG A 61 12.320 1.379 -14.441 1.00 3.30 O ATOM 972 CB ARG A 61 14.558 3.859 -13.819 1.00 53.42 C ATOM 973 CG ARG A 61 15.542 4.171 -12.736 1.00 44.13 C ATOM 974 CD ARG A 61 15.077 3.513 -11.439 1.00 13.44 C ATOM 975 NE ARG A 61 15.000 4.623 -10.449 1.00 21.30 N ATOM 976 CZ ARG A 61 13.854 5.201 -10.206 1.00 42.11 C ATOM 977 NH1 ARG A 61 13.018 4.664 -9.360 1.00 73.03 N ATOM 978 NH2 ARG A 61 13.542 6.317 -10.809 1.00 24.35 N ATOM 0 H ARG A 61 16.425 2.521 -14.787 1.00 63.43 H new ATOM 0 HA ARG A 61 14.262 1.894 -13.034 1.00 54.24 H new ATOM 0 HB2 ARG A 61 14.874 4.326 -14.752 1.00 53.42 H new ATOM 0 HB3 ARG A 61 13.585 4.279 -13.566 1.00 53.42 H new ATOM 0 HG2 ARG A 61 16.532 3.806 -13.010 1.00 44.13 H new ATOM 0 HG3 ARG A 61 15.626 5.250 -12.602 1.00 44.13 H new ATOM 0 HD2 ARG A 61 14.108 3.030 -11.567 1.00 13.44 H new ATOM 0 HD3 ARG A 61 15.777 2.743 -11.114 1.00 13.44 H new ATOM 0 HE ARG A 61 15.841 4.932 -9.961 1.00 21.30 H new ATOM 0 HH11 ARG A 61 13.259 3.793 -8.888 1.00 73.03 H new ATOM 0 HH12 ARG A 61 12.123 5.116 -9.171 1.00 73.03 H new ATOM 0 HH21 ARG A 61 14.194 6.739 -11.471 1.00 24.35 H new ATOM 0 HH22 ARG A 61 12.647 6.767 -10.618 1.00 24.35 H new ATOM 992 N ARG A 62 13.248 2.226 -16.210 1.00 22.20 N ATOM 993 CA ARG A 62 12.048 1.756 -16.976 1.00 3.34 C ATOM 994 C ARG A 62 11.926 0.262 -16.724 1.00 54.42 C ATOM 995 O ARG A 62 10.873 -0.242 -16.464 1.00 13.34 O ATOM 996 CB ARG A 62 12.251 1.959 -18.469 1.00 14.30 C ATOM 997 CG ARG A 62 10.888 2.288 -19.064 1.00 1.52 C ATOM 998 CD ARG A 62 11.008 2.518 -20.583 1.00 43.22 C ATOM 999 NE ARG A 62 12.124 1.644 -21.056 1.00 30.53 N ATOM 1000 CZ ARG A 62 11.935 0.826 -22.054 1.00 65.35 C ATOM 1001 NH1 ARG A 62 11.660 1.298 -23.240 1.00 30.44 N ATOM 1002 NH2 ARG A 62 12.027 -0.462 -21.869 1.00 12.00 N ATOM 0 H ARG A 62 13.972 2.715 -16.736 1.00 22.20 H new ATOM 0 HA ARG A 62 11.164 2.311 -16.660 1.00 3.34 H new ATOM 0 HB2 ARG A 62 12.958 2.767 -18.655 1.00 14.30 H new ATOM 0 HB3 ARG A 62 12.665 1.061 -18.927 1.00 14.30 H new ATOM 0 HG2 ARG A 62 10.191 1.473 -18.867 1.00 1.52 H new ATOM 0 HG3 ARG A 62 10.480 3.179 -18.586 1.00 1.52 H new ATOM 0 HD2 ARG A 62 10.076 2.265 -21.089 1.00 43.22 H new ATOM 0 HD3 ARG A 62 11.216 3.565 -20.802 1.00 43.22 H new ATOM 0 HE ARG A 62 13.034 1.687 -20.598 1.00 30.53 H new ATOM 0 HH11 ARG A 62 11.593 2.305 -23.385 1.00 30.44 H new ATOM 0 HH12 ARG A 62 11.512 0.659 -24.021 1.00 30.44 H new ATOM 0 HH21 ARG A 62 12.247 -0.830 -20.943 1.00 12.00 H new ATOM 0 HH22 ARG A 62 11.879 -1.101 -22.650 1.00 12.00 H new ATOM 1016 N ALA A 63 13.020 -0.460 -16.799 1.00 73.30 N ATOM 1017 CA ALA A 63 12.942 -1.924 -16.540 1.00 72.31 C ATOM 1018 C ALA A 63 12.277 -2.141 -15.186 1.00 50.33 C ATOM 1019 O ALA A 63 11.242 -2.765 -15.086 1.00 12.22 O ATOM 1020 CB ALA A 63 14.386 -2.409 -16.503 1.00 1.32 C ATOM 0 H ALA A 63 13.948 -0.101 -17.025 1.00 73.30 H new ATOM 0 HA ALA A 63 12.366 -2.458 -17.295 1.00 72.31 H new ATOM 0 HB1 ALA A 63 14.405 -3.483 -16.316 1.00 1.32 H new ATOM 0 HB2 ALA A 63 14.865 -2.199 -17.459 1.00 1.32 H new ATOM 0 HB3 ALA A 63 14.923 -1.892 -15.707 1.00 1.32 H new ATOM 1026 N GLU A 64 12.844 -1.593 -14.144 1.00 20.22 N ATOM 1027 CA GLU A 64 12.216 -1.732 -12.806 1.00 10.23 C ATOM 1028 C GLU A 64 10.819 -1.133 -12.890 1.00 52.23 C ATOM 1029 O GLU A 64 9.841 -1.731 -12.479 1.00 71.15 O ATOM 1030 CB GLU A 64 13.099 -0.919 -11.858 1.00 31.22 C ATOM 1031 CG GLU A 64 13.917 -1.866 -10.979 1.00 22.45 C ATOM 1032 CD GLU A 64 13.434 -1.762 -9.530 1.00 62.04 C ATOM 1033 OE1 GLU A 64 13.447 -0.664 -9.000 1.00 5.54 O ATOM 1034 OE2 GLU A 64 13.061 -2.783 -8.977 1.00 11.41 O ATOM 0 H GLU A 64 13.712 -1.058 -14.165 1.00 20.22 H new ATOM 0 HA GLU A 64 12.132 -2.764 -12.465 1.00 10.23 H new ATOM 0 HB2 GLU A 64 13.764 -0.272 -12.430 1.00 31.22 H new ATOM 0 HB3 GLU A 64 12.482 -0.271 -11.236 1.00 31.22 H new ATOM 0 HG2 GLU A 64 13.813 -2.891 -11.335 1.00 22.45 H new ATOM 0 HG3 GLU A 64 14.975 -1.613 -11.040 1.00 22.45 H new ATOM 1041 N TYR A 65 10.718 0.041 -13.455 1.00 53.45 N ATOM 1042 CA TYR A 65 9.395 0.669 -13.603 1.00 34.40 C ATOM 1043 C TYR A 65 8.476 -0.324 -14.270 1.00 71.21 C ATOM 1044 O TYR A 65 7.434 -0.689 -13.781 1.00 22.42 O ATOM 1045 CB TYR A 65 9.593 1.851 -14.565 1.00 44.21 C ATOM 1046 CG TYR A 65 8.277 2.482 -14.757 1.00 32.42 C ATOM 1047 CD1 TYR A 65 7.500 2.706 -13.641 1.00 1.04 C ATOM 1048 CD2 TYR A 65 7.818 2.840 -16.030 1.00 33.00 C ATOM 1049 CE1 TYR A 65 6.265 3.267 -13.771 1.00 62.34 C ATOM 1050 CE2 TYR A 65 6.566 3.425 -16.157 1.00 10.43 C ATOM 1051 CZ TYR A 65 5.782 3.633 -15.028 1.00 75.12 C ATOM 1052 OH TYR A 65 4.522 4.168 -15.160 1.00 13.41 O ATOM 0 H TYR A 65 11.502 0.584 -13.817 1.00 53.45 H new ATOM 0 HA TYR A 65 8.981 0.982 -12.645 1.00 34.40 H new ATOM 0 HB2 TYR A 65 10.306 2.566 -14.154 1.00 44.21 H new ATOM 0 HB3 TYR A 65 9.998 1.508 -15.517 1.00 44.21 H new ATOM 0 HD1 TYR A 65 7.870 2.437 -12.663 1.00 1.04 H new ATOM 0 HD2 TYR A 65 8.430 2.663 -16.902 1.00 33.00 H new ATOM 0 HE1 TYR A 65 5.655 3.430 -12.894 1.00 62.34 H new ATOM 0 HE2 TYR A 65 6.202 3.718 -17.131 1.00 10.43 H new ATOM 0 HH TYR A 65 3.885 3.455 -15.377 1.00 13.41 H new ATOM 1062 N ASP A 66 8.897 -0.770 -15.393 1.00 24.14 N ATOM 1063 CA ASP A 66 8.097 -1.764 -16.155 1.00 10.23 C ATOM 1064 C ASP A 66 7.980 -3.056 -15.344 1.00 73.20 C ATOM 1065 O ASP A 66 7.006 -3.776 -15.435 1.00 1.22 O ATOM 1066 CB ASP A 66 8.877 -2.002 -17.448 1.00 52.32 C ATOM 1067 CG ASP A 66 8.500 -0.933 -18.474 1.00 53.30 C ATOM 1068 OD1 ASP A 66 7.382 -0.449 -18.414 1.00 25.11 O ATOM 1069 OD2 ASP A 66 9.337 -0.614 -19.304 1.00 4.22 O ATOM 0 H ASP A 66 9.774 -0.492 -15.834 1.00 24.14 H new ATOM 0 HA ASP A 66 7.084 -1.419 -16.360 1.00 10.23 H new ATOM 0 HB2 ASP A 66 9.948 -1.970 -17.250 1.00 52.32 H new ATOM 0 HB3 ASP A 66 8.655 -2.994 -17.842 1.00 52.32 H new ATOM 1074 N GLN A 67 8.969 -3.347 -14.543 1.00 72.34 N ATOM 1075 CA GLN A 67 8.922 -4.584 -13.716 1.00 35.42 C ATOM 1076 C GLN A 67 7.697 -4.550 -12.803 1.00 41.42 C ATOM 1077 O GLN A 67 6.959 -5.510 -12.703 1.00 30.01 O ATOM 1078 CB GLN A 67 10.210 -4.558 -12.892 1.00 53.44 C ATOM 1079 CG GLN A 67 10.661 -5.992 -12.600 1.00 25.45 C ATOM 1080 CD GLN A 67 11.732 -5.984 -11.506 1.00 62.30 C ATOM 1081 OE1 GLN A 67 11.518 -6.500 -10.427 1.00 64.24 O ATOM 1082 NE2 GLN A 67 12.885 -5.419 -11.741 1.00 34.12 N ATOM 0 H GLN A 67 9.809 -2.780 -14.426 1.00 72.34 H new ATOM 0 HA GLN A 67 8.847 -5.488 -14.320 1.00 35.42 H new ATOM 0 HB2 GLN A 67 10.990 -4.024 -13.434 1.00 53.44 H new ATOM 0 HB3 GLN A 67 10.046 -4.020 -11.958 1.00 53.44 H new ATOM 0 HG2 GLN A 67 9.809 -6.594 -12.284 1.00 25.45 H new ATOM 0 HG3 GLN A 67 11.057 -6.451 -13.506 1.00 25.45 H new ATOM 0 HE21 GLN A 67 13.065 -4.986 -12.647 1.00 34.12 H new ATOM 0 HE22 GLN A 67 13.606 -5.411 -11.019 1.00 34.12 H new ATOM 1091 N MET A 68 7.469 -3.447 -12.142 1.00 22.30 N ATOM 1092 CA MET A 68 6.269 -3.369 -11.245 1.00 45.14 C ATOM 1093 C MET A 68 5.002 -3.166 -12.084 1.00 1.44 C ATOM 1094 O MET A 68 3.961 -3.718 -11.788 1.00 61.33 O ATOM 1095 CB MET A 68 6.453 -2.188 -10.260 1.00 53.25 C ATOM 1096 CG MET A 68 7.763 -1.424 -10.496 1.00 42.45 C ATOM 1097 SD MET A 68 7.905 -0.078 -9.289 1.00 74.31 S ATOM 1098 CE MET A 68 7.654 1.290 -10.447 1.00 74.13 C ATOM 0 H MET A 68 8.047 -2.608 -12.179 1.00 22.30 H new ATOM 0 HA MET A 68 6.167 -4.298 -10.684 1.00 45.14 H new ATOM 0 HB2 MET A 68 5.613 -1.501 -10.360 1.00 53.25 H new ATOM 0 HB3 MET A 68 6.436 -2.566 -9.238 1.00 53.25 H new ATOM 0 HG2 MET A 68 8.613 -2.101 -10.404 1.00 42.45 H new ATOM 0 HG3 MET A 68 7.784 -1.022 -11.509 1.00 42.45 H new ATOM 0 HE1 MET A 68 8.569 1.878 -10.519 1.00 74.13 H new ATOM 0 HE2 MET A 68 7.399 0.893 -11.430 1.00 74.13 H new ATOM 0 HE3 MET A 68 6.842 1.924 -10.090 1.00 74.13 H new ATOM 1108 N TRP A 69 5.073 -2.377 -13.127 1.00 73.32 N ATOM 1109 CA TRP A 69 3.855 -2.151 -13.970 1.00 64.42 C ATOM 1110 C TRP A 69 3.383 -3.473 -14.591 1.00 64.22 C ATOM 1111 O TRP A 69 3.407 -4.508 -13.955 1.00 41.44 O ATOM 1112 CB TRP A 69 4.286 -1.156 -15.051 1.00 12.04 C ATOM 1113 CG TRP A 69 3.235 -0.098 -15.212 1.00 62.42 C ATOM 1114 CD1 TRP A 69 3.495 1.221 -15.341 1.00 23.15 C ATOM 1115 CD2 TRP A 69 1.778 -0.230 -15.245 1.00 70.54 C ATOM 1116 NE1 TRP A 69 2.302 1.908 -15.458 1.00 62.12 N ATOM 1117 CE2 TRP A 69 1.215 1.060 -15.409 1.00 63.14 C ATOM 1118 CE3 TRP A 69 0.899 -1.326 -15.157 1.00 52.22 C ATOM 1119 CZ2 TRP A 69 -0.165 1.254 -15.479 1.00 3.11 C ATOM 1120 CZ3 TRP A 69 -0.491 -1.132 -15.227 1.00 40.30 C ATOM 1121 CH2 TRP A 69 -1.021 0.155 -15.389 1.00 63.05 C ATOM 0 H TRP A 69 5.912 -1.883 -13.431 1.00 73.32 H new ATOM 0 HA TRP A 69 3.018 -1.766 -13.387 1.00 64.42 H new ATOM 0 HB2 TRP A 69 5.237 -0.699 -14.779 1.00 12.04 H new ATOM 0 HB3 TRP A 69 4.440 -1.676 -15.997 1.00 12.04 H new ATOM 0 HD1 TRP A 69 4.478 1.667 -15.351 1.00 23.15 H new ATOM 0 HE1 TRP A 69 2.233 2.920 -15.567 1.00 62.12 H new ATOM 0 HE3 TRP A 69 1.296 -2.323 -15.035 1.00 52.22 H new ATOM 0 HZ2 TRP A 69 -0.568 2.248 -15.602 1.00 3.11 H new ATOM 0 HZ3 TRP A 69 -1.155 -1.981 -15.155 1.00 40.30 H new ATOM 0 HH2 TRP A 69 -2.090 0.296 -15.444 1.00 63.05 H new