USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 862 hydrogens (28 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 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 SER OG : rot -140:sc= 0.0663 USER MOD Set 1.3: A 70 GLN :FLIP amide:sc= 0.166 F(o=-2.6!,f=0.23) USER MOD Set 2.1: A 25 HIS : no HD1:sc= 0.642 K(o=2.4,f=-6.6!) USER MOD Set 2.2: A 39 SER OG : rot 95:sc= 1.74 USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= 1.26 USER MOD Set 3.2: A 38 SER OG : rot 104:sc= 0.714 USER MOD Set 4.1: A 1 GLY N :NH3+ -168:sc= 0.889 (180deg=0.00208) USER MOD Set 4.2: A 77 SER OG : rot 110:sc= 1.97 USER MOD Single : A 3 GLN :FLIP amide:sc= -0.501 F(o=-1.7!,f=-0.5) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0.7 (180deg=0.699) USER MOD Single : A 20 GLN : amide:sc= 0.321 K(o=0.32,f=-5.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -37:sc= 0.548 USER MOD Single : A 29 MET CE :methyl -112:sc= -0.0255 (180deg=-0.261) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.164 (180deg=-0.809) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 0.584 (180deg=0.452) USER MOD Single : A 43 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.2) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.103) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0.242 (180deg=0.0527) USER MOD Single : A 49 MET CE :methyl -161:sc= -0.486 (180deg=-1.46!) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 0.0537 (180deg=0.00482) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 65 GLN : amide:sc= 0.248 X(o=0.25,f=0) USER MOD Single : A 66 MET CE :methyl 140:sc= -0.0887 (180deg=-0.541) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0.0381 (180deg=0.0255) USER MOD Single : A 75 THR OG1 : rot 91:sc= 0.789 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 168:sc= 1 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.209 K(o=-0.21,f=-1) USER MOD Single : A 94 HIS : no HD1:sc=-0.00431 X(o=-0.0043,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -153:sc= 0.245 (180deg=0.0552) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.464 -5.055 -15.083 1.00 6.24 N ATOM 2 CA GLY A 1 -8.313 -5.797 -14.588 1.00 5.48 C ATOM 3 C GLY A 1 -7.281 -4.751 -14.177 1.00 6.33 C ATOM 4 O GLY A 1 -7.665 -3.602 -13.962 1.00 5.75 O ATOM 0 H1 GLY A 1 -10.274 -5.699 -15.188 1.00 6.24 H new ATOM 0 H2 GLY A 1 -9.707 -4.301 -14.409 1.00 6.24 H new ATOM 0 H3 GLY A 1 -9.235 -4.634 -16.006 1.00 6.24 H new ATOM 0 HA2 GLY A 1 -8.589 -6.426 -13.742 1.00 5.48 H new ATOM 0 HA3 GLY A 1 -7.914 -6.457 -15.358 1.00 5.48 H new ATOM 10 N VAL A 2 -6.012 -5.158 -14.102 1.00 5.47 N ATOM 11 CA VAL A 2 -4.866 -4.304 -13.809 1.00 4.13 C ATOM 12 C VAL A 2 -3.933 -4.625 -14.975 1.00 4.43 C ATOM 13 O VAL A 2 -3.890 -5.737 -15.515 1.00 5.81 O ATOM 14 CB VAL A 2 -4.307 -4.689 -12.397 1.00 3.49 C ATOM 15 CG1 VAL A 2 -4.107 -6.188 -12.267 1.00 4.13 C ATOM 16 CG2 VAL A 2 -2.958 -4.008 -12.170 1.00 6.35 C ATOM 0 H VAL A 2 -5.747 -6.132 -14.250 1.00 5.47 H new ATOM 0 HA VAL A 2 -5.053 -3.232 -13.744 1.00 4.13 H new ATOM 0 HB VAL A 2 -5.037 -4.360 -11.657 1.00 3.49 H new ATOM 0 HG11 VAL A 2 -3.718 -6.419 -11.275 1.00 4.13 H new ATOM 0 HG12 VAL A 2 -5.061 -6.696 -12.410 1.00 4.13 H new ATOM 0 HG13 VAL A 2 -3.398 -6.527 -13.022 1.00 4.13 H new ATOM 0 HG21 VAL A 2 -2.574 -4.279 -11.187 1.00 6.35 H new ATOM 0 HG22 VAL A 2 -2.254 -4.332 -12.936 1.00 6.35 H new ATOM 0 HG23 VAL A 2 -3.083 -2.927 -12.225 1.00 6.35 H new ATOM 26 N GLN A 3 -3.254 -3.620 -15.448 1.00 4.31 N ATOM 27 CA GLN A 3 -2.297 -3.706 -16.528 1.00 5.50 C ATOM 28 C GLN A 3 -0.982 -3.300 -15.848 1.00 5.28 C ATOM 29 O GLN A 3 -0.959 -2.267 -15.178 1.00 5.22 O ATOM 30 CB GLN A 3 -2.732 -2.708 -17.511 1.00 7.13 C ATOM 31 CG GLN A 3 -1.782 -2.417 -18.617 1.00 11.82 C ATOM 32 CD GLN A 3 -2.422 -1.325 -19.438 1.00 15.85 C ATOM 33 OE1 GLN A 3 -1.764 -0.191 -19.654 1.00 16.98 O flip ATOM 34 NE2 GLN A 3 -3.569 -1.500 -19.864 1.00 16.20 N flip ATOM 0 H GLN A 3 -3.352 -2.674 -15.079 1.00 4.31 H new ATOM 0 HA GLN A 3 -2.199 -4.670 -17.027 1.00 5.50 H new ATOM 0 HB2 GLN A 3 -3.673 -3.044 -17.947 1.00 7.13 H new ATOM 0 HB3 GLN A 3 -2.940 -1.777 -16.984 1.00 7.13 H new ATOM 0 HG2 GLN A 3 -0.816 -2.097 -18.227 1.00 11.82 H new ATOM 0 HG3 GLN A 3 -1.603 -3.306 -19.222 1.00 11.82 H new ATOM 0 HE21 GLN A 3 -4.051 -2.381 -19.684 1.00 16.20 H new ATOM 0 HE22 GLN A 3 -4.033 -0.764 -20.396 1.00 16.20 H new ATOM 43 N VAL A 4 0.092 -4.057 -15.996 1.00 5.58 N ATOM 44 CA VAL A 4 1.371 -3.821 -15.327 1.00 3.08 C ATOM 45 C VAL A 4 2.302 -3.361 -16.468 1.00 3.85 C ATOM 46 O VAL A 4 2.463 -4.069 -17.479 1.00 2.22 O ATOM 47 CB VAL A 4 1.886 -5.179 -14.673 1.00 2.68 C ATOM 48 CG1 VAL A 4 3.276 -4.926 -14.095 1.00 2.05 C ATOM 49 CG2 VAL A 4 0.943 -5.730 -13.559 1.00 2.28 C ATOM 0 H VAL A 4 0.104 -4.878 -16.601 1.00 5.58 H new ATOM 0 HA VAL A 4 1.317 -3.088 -14.522 1.00 3.08 H new ATOM 0 HB VAL A 4 1.906 -5.940 -15.453 1.00 2.68 H new ATOM 0 HG11 VAL A 4 3.653 -5.842 -13.640 1.00 2.05 H new ATOM 0 HG12 VAL A 4 3.950 -4.613 -14.892 1.00 2.05 H new ATOM 0 HG13 VAL A 4 3.219 -4.142 -13.340 1.00 2.05 H new ATOM 0 HG21 VAL A 4 1.355 -6.656 -13.158 1.00 2.28 H new ATOM 0 HG22 VAL A 4 0.857 -4.995 -12.759 1.00 2.28 H new ATOM 0 HG23 VAL A 4 -0.043 -5.925 -13.981 1.00 2.28 H new ATOM 59 N GLU A 5 2.825 -2.146 -16.447 1.00 2.00 N ATOM 60 CA GLU A 5 3.748 -1.705 -17.485 1.00 3.34 C ATOM 61 C GLU A 5 5.031 -1.377 -16.749 1.00 2.00 C ATOM 62 O GLU A 5 5.011 -0.611 -15.784 1.00 2.94 O ATOM 63 CB GLU A 5 3.233 -0.452 -18.201 1.00 5.96 C ATOM 64 CG GLU A 5 1.701 -0.538 -18.510 1.00 12.28 C ATOM 65 CD GLU A 5 0.886 0.658 -17.976 1.00 12.80 C ATOM 66 OE1 GLU A 5 0.965 1.681 -18.661 1.00 11.78 O ATOM 67 OE2 GLU A 5 0.193 0.566 -16.928 1.00 10.77 O ATOM 0 H GLU A 5 2.629 -1.450 -15.728 1.00 2.00 H new ATOM 0 HA GLU A 5 3.876 -2.471 -18.250 1.00 3.34 H new ATOM 0 HB2 GLU A 5 3.429 0.424 -17.583 1.00 5.96 H new ATOM 0 HB3 GLU A 5 3.783 -0.315 -19.132 1.00 5.96 H new ATOM 0 HG2 GLU A 5 1.562 -0.607 -19.589 1.00 12.28 H new ATOM 0 HG3 GLU A 5 1.304 -1.457 -18.078 1.00 12.28 H new ATOM 74 N THR A 6 6.169 -1.946 -17.098 1.00 2.69 N ATOM 75 CA THR A 6 7.427 -1.699 -16.391 1.00 2.32 C ATOM 76 C THR A 6 8.101 -0.339 -16.681 1.00 2.06 C ATOM 77 O THR A 6 8.132 0.151 -17.809 1.00 2.01 O ATOM 78 CB THR A 6 8.333 -2.889 -16.754 1.00 3.24 C ATOM 79 OG1 THR A 6 7.608 -4.083 -16.405 1.00 2.71 O ATOM 80 CG2 THR A 6 9.705 -2.779 -16.121 1.00 2.00 C ATOM 0 H THR A 6 6.255 -2.595 -17.880 1.00 2.69 H new ATOM 0 HA THR A 6 7.232 -1.626 -15.321 1.00 2.32 H new ATOM 0 HB THR A 6 8.555 -2.909 -17.821 1.00 3.24 H new ATOM 0 HG1 THR A 6 8.150 -4.870 -16.622 1.00 2.71 H new ATOM 0 HG21 THR A 6 10.308 -3.641 -16.406 1.00 2.00 H new ATOM 0 HG22 THR A 6 10.192 -1.866 -16.465 1.00 2.00 H new ATOM 0 HG23 THR A 6 9.604 -2.750 -15.036 1.00 2.00 H new ATOM 88 N ILE A 7 8.651 0.284 -15.641 1.00 2.06 N ATOM 89 CA ILE A 7 9.485 1.493 -15.701 1.00 3.36 C ATOM 90 C ILE A 7 10.945 1.006 -15.554 1.00 3.28 C ATOM 91 O ILE A 7 11.794 1.312 -16.396 1.00 2.33 O ATOM 92 CB ILE A 7 9.078 2.464 -14.539 1.00 2.81 C ATOM 93 CG1 ILE A 7 7.617 2.853 -14.790 1.00 2.08 C ATOM 94 CG2 ILE A 7 9.962 3.738 -14.453 1.00 2.00 C ATOM 95 CD1 ILE A 7 6.961 3.704 -13.688 1.00 4.79 C ATOM 0 H ILE A 7 8.524 -0.052 -14.686 1.00 2.06 H new ATOM 0 HA ILE A 7 9.360 2.044 -16.633 1.00 3.36 H new ATOM 0 HB ILE A 7 9.218 1.954 -13.586 1.00 2.81 H new ATOM 0 HG12 ILE A 7 7.561 3.401 -15.730 1.00 2.08 H new ATOM 0 HG13 ILE A 7 7.033 1.942 -14.918 1.00 2.08 H new ATOM 0 HG21 ILE A 7 9.622 4.362 -13.627 1.00 2.00 H new ATOM 0 HG22 ILE A 7 11.000 3.450 -14.287 1.00 2.00 H new ATOM 0 HG23 ILE A 7 9.886 4.298 -15.385 1.00 2.00 H new ATOM 0 HD11 ILE A 7 5.930 3.924 -13.964 1.00 4.79 H new ATOM 0 HD12 ILE A 7 6.976 3.155 -12.747 1.00 4.79 H new ATOM 0 HD13 ILE A 7 7.512 4.637 -13.572 1.00 4.79 H new ATOM 107 N SER A 8 11.286 0.209 -14.533 1.00 2.13 N ATOM 108 CA SER A 8 12.632 -0.324 -14.370 1.00 5.82 C ATOM 109 C SER A 8 12.467 -1.777 -13.922 1.00 3.98 C ATOM 110 O SER A 8 11.549 -2.092 -13.148 1.00 2.39 O ATOM 111 CB SER A 8 13.423 0.396 -13.282 1.00 4.18 C ATOM 112 OG SER A 8 13.399 1.785 -13.610 1.00 11.59 O ATOM 0 H SER A 8 10.635 -0.080 -13.803 1.00 2.13 H new ATOM 0 HA SER A 8 13.172 -0.206 -15.310 1.00 5.82 H new ATOM 0 HB2 SER A 8 12.980 0.222 -12.302 1.00 4.18 H new ATOM 0 HB3 SER A 8 14.447 0.026 -13.239 1.00 4.18 H new ATOM 0 HG SER A 8 13.897 2.290 -12.933 1.00 11.59 H new ATOM 118 N PRO A 9 13.287 -2.676 -14.456 1.00 4.08 N ATOM 119 CA PRO A 9 13.198 -4.116 -14.183 1.00 2.14 C ATOM 120 C PRO A 9 13.558 -4.451 -12.746 1.00 2.33 C ATOM 121 O PRO A 9 14.323 -3.714 -12.119 1.00 2.00 O ATOM 122 CB PRO A 9 14.135 -4.736 -15.167 1.00 2.10 C ATOM 123 CG PRO A 9 14.327 -3.676 -16.211 1.00 4.55 C ATOM 124 CD PRO A 9 14.315 -2.377 -15.444 1.00 3.80 C ATOM 0 HA PRO A 9 12.182 -4.495 -14.294 1.00 2.14 H new ATOM 0 HB2 PRO A 9 15.080 -5.010 -14.699 1.00 2.10 H new ATOM 0 HB3 PRO A 9 13.717 -5.646 -15.596 1.00 2.10 H new ATOM 0 HG2 PRO A 9 15.267 -3.812 -16.745 1.00 4.55 H new ATOM 0 HG3 PRO A 9 13.531 -3.704 -16.955 1.00 4.55 H new ATOM 0 HD2 PRO A 9 15.279 -2.154 -14.988 1.00 3.80 H new ATOM 0 HD3 PRO A 9 14.054 -1.525 -16.072 1.00 3.80 H new ATOM 132 N GLY A 10 13.027 -5.571 -12.276 1.00 2.00 N ATOM 133 CA GLY A 10 13.306 -6.124 -10.964 1.00 2.00 C ATOM 134 C GLY A 10 14.343 -7.250 -11.102 1.00 2.00 C ATOM 135 O GLY A 10 15.015 -7.344 -12.132 1.00 2.00 O ATOM 0 H GLY A 10 12.371 -6.135 -12.816 1.00 2.00 H new ATOM 0 HA2 GLY A 10 13.682 -5.346 -10.300 1.00 2.00 H new ATOM 0 HA3 GLY A 10 12.390 -6.509 -10.516 1.00 2.00 H new ATOM 139 N ASP A 11 14.525 -8.171 -10.162 1.00 2.00 N ATOM 140 CA ASP A 11 15.574 -9.183 -10.353 1.00 2.83 C ATOM 141 C ASP A 11 15.127 -10.356 -11.232 1.00 2.73 C ATOM 142 O ASP A 11 15.897 -11.271 -11.560 1.00 2.14 O ATOM 143 CB ASP A 11 16.060 -9.727 -8.990 1.00 2.14 C ATOM 144 CG ASP A 11 15.051 -10.535 -8.190 1.00 2.06 C ATOM 145 OD1 ASP A 11 13.886 -10.618 -8.547 1.00 3.24 O ATOM 146 OD2 ASP A 11 15.444 -11.104 -7.193 1.00 2.43 O ATOM 0 H ASP A 11 13.991 -8.245 -9.296 1.00 2.00 H new ATOM 0 HA ASP A 11 16.389 -8.677 -10.870 1.00 2.83 H new ATOM 0 HB2 ASP A 11 16.937 -10.350 -9.163 1.00 2.14 H new ATOM 0 HB3 ASP A 11 16.384 -8.883 -8.380 1.00 2.14 H new ATOM 151 N GLY A 12 13.823 -10.394 -11.533 1.00 2.91 N ATOM 152 CA GLY A 12 13.263 -11.490 -12.327 1.00 3.38 C ATOM 153 C GLY A 12 13.157 -12.792 -11.578 1.00 2.10 C ATOM 154 O GLY A 12 12.866 -13.790 -12.215 1.00 2.19 O ATOM 0 H GLY A 12 13.146 -9.689 -11.243 1.00 2.91 H new ATOM 0 HA2 GLY A 12 12.272 -11.202 -12.678 1.00 3.38 H new ATOM 0 HA3 GLY A 12 13.883 -11.640 -13.211 1.00 3.38 H new ATOM 158 N ARG A 13 13.361 -12.883 -10.265 1.00 3.67 N ATOM 159 CA ARG A 13 13.279 -14.168 -9.579 1.00 3.74 C ATOM 160 C ARG A 13 12.543 -14.117 -8.231 1.00 2.30 C ATOM 161 O ARG A 13 12.066 -15.153 -7.744 1.00 2.00 O ATOM 162 CB ARG A 13 14.705 -14.729 -9.312 1.00 8.46 C ATOM 163 CG ARG A 13 15.801 -14.463 -10.358 1.00 13.37 C ATOM 164 CD ARG A 13 17.213 -14.944 -10.002 1.00 17.99 C ATOM 165 NE ARG A 13 17.343 -16.355 -10.382 1.00 23.58 N ATOM 166 CZ ARG A 13 18.048 -16.733 -11.472 1.00 25.35 C ATOM 167 NH1 ARG A 13 18.706 -15.841 -12.233 1.00 26.59 N ATOM 168 NH2 ARG A 13 18.125 -18.034 -11.781 1.00 25.67 N ATOM 0 H ARG A 13 13.582 -12.091 -9.662 1.00 3.67 H new ATOM 0 HA ARG A 13 12.707 -14.809 -10.249 1.00 3.74 H new ATOM 0 HB2 ARG A 13 15.049 -14.324 -8.360 1.00 8.46 H new ATOM 0 HB3 ARG A 13 14.620 -15.808 -9.187 1.00 8.46 H new ATOM 0 HG2 ARG A 13 15.504 -14.938 -11.293 1.00 13.37 H new ATOM 0 HG3 ARG A 13 15.842 -13.390 -10.545 1.00 13.37 H new ATOM 0 HD2 ARG A 13 17.959 -14.343 -10.523 1.00 17.99 H new ATOM 0 HD3 ARG A 13 17.395 -14.823 -8.934 1.00 17.99 H new ATOM 0 HE ARG A 13 16.891 -17.068 -9.810 1.00 23.58 H new ATOM 0 HH11 ARG A 13 18.681 -14.850 -11.994 1.00 26.59 H new ATOM 0 HH12 ARG A 13 19.230 -16.155 -13.050 1.00 26.59 H new ATOM 0 HH21 ARG A 13 17.655 -18.726 -11.197 1.00 25.67 H new ATOM 0 HH22 ARG A 13 18.653 -18.333 -12.601 1.00 25.67 H new ATOM 182 N THR A 14 12.503 -12.984 -7.517 1.00 2.21 N ATOM 183 CA THR A 14 11.889 -12.893 -6.177 1.00 2.87 C ATOM 184 C THR A 14 10.553 -12.165 -6.279 1.00 3.02 C ATOM 185 O THR A 14 10.515 -10.927 -6.348 1.00 2.00 O ATOM 186 CB THR A 14 12.829 -12.117 -5.194 1.00 2.06 C ATOM 187 OG1 THR A 14 14.108 -12.625 -5.508 1.00 2.22 O ATOM 188 CG2 THR A 14 12.627 -12.311 -3.707 1.00 2.06 C ATOM 0 H THR A 14 12.894 -12.102 -7.848 1.00 2.21 H new ATOM 0 HA THR A 14 11.734 -13.902 -5.794 1.00 2.87 H new ATOM 0 HB THR A 14 12.643 -11.053 -5.337 1.00 2.06 H new ATOM 0 HG1 THR A 14 14.503 -12.093 -6.230 1.00 2.22 H new ATOM 0 HG21 THR A 14 13.352 -11.709 -3.160 1.00 2.06 H new ATOM 0 HG22 THR A 14 11.618 -12.002 -3.433 1.00 2.06 H new ATOM 0 HG23 THR A 14 12.765 -13.363 -3.455 1.00 2.06 H new ATOM 196 N PHE A 15 9.492 -12.978 -6.419 1.00 2.37 N ATOM 197 CA PHE A 15 8.119 -12.464 -6.534 1.00 3.88 C ATOM 198 C PHE A 15 7.374 -12.671 -5.209 1.00 2.49 C ATOM 199 O PHE A 15 7.668 -13.650 -4.488 1.00 3.42 O ATOM 200 CB PHE A 15 7.405 -13.175 -7.658 1.00 2.61 C ATOM 201 CG PHE A 15 8.044 -12.971 -9.035 1.00 4.70 C ATOM 202 CD1 PHE A 15 7.677 -11.893 -9.806 1.00 2.42 C ATOM 203 CD2 PHE A 15 8.994 -13.874 -9.523 1.00 3.62 C ATOM 204 CE1 PHE A 15 8.244 -11.709 -11.049 1.00 4.21 C ATOM 205 CE2 PHE A 15 9.538 -13.665 -10.771 1.00 2.04 C ATOM 206 CZ PHE A 15 9.165 -12.593 -11.526 1.00 3.90 C ATOM 0 H PHE A 15 9.561 -13.995 -6.455 1.00 2.37 H new ATOM 0 HA PHE A 15 8.147 -11.397 -6.754 1.00 3.88 H new ATOM 0 HB2 PHE A 15 7.376 -14.242 -7.438 1.00 2.61 H new ATOM 0 HB3 PHE A 15 6.372 -12.829 -7.694 1.00 2.61 H new ATOM 0 HD1 PHE A 15 6.944 -11.190 -9.438 1.00 2.42 H new ATOM 0 HD2 PHE A 15 9.297 -14.724 -8.929 1.00 3.62 H new ATOM 0 HE1 PHE A 15 7.956 -10.858 -11.649 1.00 4.21 H new ATOM 0 HE2 PHE A 15 10.270 -14.360 -11.156 1.00 2.04 H new ATOM 0 HZ PHE A 15 9.600 -12.444 -12.503 1.00 3.90 H new ATOM 216 N PRO A 16 6.516 -11.739 -4.776 1.00 2.05 N ATOM 217 CA PRO A 16 5.868 -11.808 -3.470 1.00 2.01 C ATOM 218 C PRO A 16 4.876 -12.953 -3.426 1.00 2.69 C ATOM 219 O PRO A 16 4.225 -13.287 -4.420 1.00 2.00 O ATOM 220 CB PRO A 16 5.235 -10.430 -3.292 1.00 2.17 C ATOM 221 CG PRO A 16 5.170 -9.814 -4.696 1.00 2.94 C ATOM 222 CD PRO A 16 6.370 -10.401 -5.371 1.00 2.00 C ATOM 0 HA PRO A 16 6.553 -12.021 -2.649 1.00 2.01 H new ATOM 0 HB2 PRO A 16 4.240 -10.511 -2.854 1.00 2.17 H new ATOM 0 HB3 PRO A 16 5.830 -9.811 -2.621 1.00 2.17 H new ATOM 0 HG2 PRO A 16 4.246 -10.078 -5.211 1.00 2.94 H new ATOM 0 HG3 PRO A 16 5.217 -8.726 -4.663 1.00 2.94 H new ATOM 0 HD2 PRO A 16 6.228 -10.461 -6.450 1.00 2.00 H new ATOM 0 HD3 PRO A 16 7.258 -9.792 -5.200 1.00 2.00 H new ATOM 230 N LYS A 17 4.773 -13.523 -2.248 1.00 2.05 N ATOM 231 CA LYS A 17 3.920 -14.662 -1.995 1.00 2.82 C ATOM 232 C LYS A 17 2.951 -14.257 -0.911 1.00 2.65 C ATOM 233 O LYS A 17 3.247 -13.348 -0.124 1.00 2.00 O ATOM 234 CB LYS A 17 4.797 -15.843 -1.522 1.00 6.99 C ATOM 235 CG LYS A 17 5.852 -16.214 -2.566 1.00 10.61 C ATOM 236 CD LYS A 17 5.165 -17.115 -3.583 1.00 14.13 C ATOM 237 CE LYS A 17 5.482 -16.861 -5.066 1.00 14.97 C ATOM 238 NZ LYS A 17 4.499 -15.969 -5.667 1.00 15.96 N ATOM 0 H LYS A 17 5.287 -13.204 -1.426 1.00 2.05 H new ATOM 0 HA LYS A 17 3.377 -14.969 -2.889 1.00 2.82 H new ATOM 0 HB2 LYS A 17 5.288 -15.580 -0.585 1.00 6.99 H new ATOM 0 HB3 LYS A 17 4.165 -16.708 -1.319 1.00 6.99 H new ATOM 0 HG2 LYS A 17 6.251 -15.321 -3.047 1.00 10.61 H new ATOM 0 HG3 LYS A 17 6.693 -16.727 -2.100 1.00 10.61 H new ATOM 0 HD2 LYS A 17 5.427 -18.148 -3.352 1.00 14.13 H new ATOM 0 HD3 LYS A 17 4.088 -17.021 -3.446 1.00 14.13 H new ATOM 0 HE2 LYS A 17 6.477 -16.426 -5.159 1.00 14.97 H new ATOM 0 HE3 LYS A 17 5.496 -17.808 -5.605 1.00 14.97 H new ATOM 0 HZ1 LYS A 17 4.746 -15.801 -6.663 1.00 15.96 H new ATOM 0 HZ2 LYS A 17 3.556 -16.404 -5.613 1.00 15.96 H new ATOM 0 HZ3 LYS A 17 4.492 -15.064 -5.155 1.00 15.96 H new ATOM 252 N ARG A 18 1.797 -14.924 -0.853 1.00 3.00 N ATOM 253 CA ARG A 18 0.817 -14.730 0.194 1.00 3.17 C ATOM 254 C ARG A 18 1.425 -14.850 1.611 1.00 4.58 C ATOM 255 O ARG A 18 2.149 -15.789 1.983 1.00 4.56 O ATOM 256 CB ARG A 18 -0.305 -15.746 0.073 1.00 2.35 C ATOM 257 CG ARG A 18 -1.550 -15.271 0.824 1.00 4.98 C ATOM 258 CD ARG A 18 -2.618 -16.332 1.091 1.00 7.29 C ATOM 259 NE ARG A 18 -2.040 -17.567 1.607 1.00 11.65 N ATOM 260 CZ ARG A 18 -2.715 -18.623 2.127 1.00 11.69 C ATOM 261 NH1 ARG A 18 -4.062 -18.659 2.279 1.00 8.81 N ATOM 262 NH2 ARG A 18 -1.956 -19.656 2.517 1.00 11.68 N ATOM 0 H ARG A 18 1.522 -15.621 -1.545 1.00 3.00 H new ATOM 0 HA ARG A 18 0.436 -13.717 0.064 1.00 3.17 H new ATOM 0 HB2 ARG A 18 -0.547 -15.904 -0.978 1.00 2.35 H new ATOM 0 HB3 ARG A 18 0.022 -16.706 0.473 1.00 2.35 H new ATOM 0 HG2 ARG A 18 -1.235 -14.852 1.780 1.00 4.98 H new ATOM 0 HG3 ARG A 18 -2.006 -14.460 0.255 1.00 4.98 H new ATOM 0 HD2 ARG A 18 -3.344 -15.945 1.806 1.00 7.29 H new ATOM 0 HD3 ARG A 18 -3.160 -16.542 0.169 1.00 7.29 H new ATOM 0 HE ARG A 18 -1.024 -17.645 1.574 1.00 11.65 H new ATOM 0 HH11 ARG A 18 -4.629 -17.860 1.995 1.00 8.81 H new ATOM 0 HH12 ARG A 18 -4.508 -19.485 2.677 1.00 8.81 H new ATOM 0 HH21 ARG A 18 -0.942 -19.612 2.413 1.00 11.68 H new ATOM 0 HH22 ARG A 18 -2.392 -20.486 2.918 1.00 11.68 H new ATOM 276 N GLY A 19 1.139 -13.873 2.442 1.00 3.63 N ATOM 277 CA GLY A 19 1.675 -13.863 3.760 1.00 3.22 C ATOM 278 C GLY A 19 2.939 -13.036 3.871 1.00 2.00 C ATOM 279 O GLY A 19 3.336 -12.718 4.998 1.00 2.09 O ATOM 0 H GLY A 19 0.537 -13.081 2.217 1.00 3.63 H new ATOM 0 HA2 GLY A 19 0.927 -13.470 4.449 1.00 3.22 H new ATOM 0 HA3 GLY A 19 1.887 -14.886 4.069 1.00 3.22 H new ATOM 283 N GLN A 20 3.572 -12.658 2.790 1.00 2.68 N ATOM 284 CA GLN A 20 4.723 -11.773 2.868 1.00 2.00 C ATOM 285 C GLN A 20 4.327 -10.319 2.886 1.00 2.70 C ATOM 286 O GLN A 20 3.289 -9.939 2.302 1.00 2.45 O ATOM 287 CB GLN A 20 5.666 -11.966 1.687 1.00 3.16 C ATOM 288 CG GLN A 20 6.358 -13.364 1.712 1.00 2.12 C ATOM 289 CD GLN A 20 7.409 -13.512 0.616 1.00 4.98 C ATOM 290 OE1 GLN A 20 7.139 -13.436 -0.580 1.00 5.90 O ATOM 291 NE2 GLN A 20 8.678 -13.659 0.964 1.00 4.69 N ATOM 0 H GLN A 20 3.317 -12.944 1.845 1.00 2.68 H new ATOM 0 HA GLN A 20 5.221 -12.035 3.802 1.00 2.00 H new ATOM 0 HB2 GLN A 20 5.109 -11.854 0.757 1.00 3.16 H new ATOM 0 HB3 GLN A 20 6.426 -11.185 1.699 1.00 3.16 H new ATOM 0 HG2 GLN A 20 6.827 -13.517 2.684 1.00 2.12 H new ATOM 0 HG3 GLN A 20 5.604 -14.142 1.596 1.00 2.12 H new ATOM 0 HE21 GLN A 20 8.932 -13.725 1.950 1.00 4.69 H new ATOM 0 HE22 GLN A 20 9.401 -13.706 0.246 1.00 4.69 H new ATOM 300 N THR A 21 5.158 -9.530 3.565 1.00 2.00 N ATOM 301 CA THR A 21 4.993 -8.081 3.584 1.00 2.11 C ATOM 302 C THR A 21 5.765 -7.403 2.436 1.00 3.07 C ATOM 303 O THR A 21 6.996 -7.564 2.289 1.00 2.00 O ATOM 304 CB THR A 21 5.470 -7.526 4.934 1.00 2.03 C ATOM 305 OG1 THR A 21 4.571 -8.110 5.908 1.00 2.00 O ATOM 306 CG2 THR A 21 5.480 -5.985 5.021 1.00 2.03 C ATOM 0 H THR A 21 5.951 -9.871 4.108 1.00 2.00 H new ATOM 0 HA THR A 21 3.934 -7.861 3.446 1.00 2.11 H new ATOM 0 HB THR A 21 6.514 -7.790 5.104 1.00 2.03 H new ATOM 0 HG1 THR A 21 4.815 -7.801 6.805 1.00 2.00 H new ATOM 0 HG21 THR A 21 5.830 -5.678 6.007 1.00 2.03 H new ATOM 0 HG22 THR A 21 6.146 -5.582 4.258 1.00 2.03 H new ATOM 0 HG23 THR A 21 4.471 -5.605 4.859 1.00 2.03 H new ATOM 314 N CYS A 22 5.027 -6.689 1.578 1.00 2.00 N ATOM 315 CA CYS A 22 5.616 -5.929 0.488 1.00 2.88 C ATOM 316 C CYS A 22 5.856 -4.490 0.930 1.00 2.00 C ATOM 317 O CYS A 22 4.994 -3.817 1.492 1.00 4.11 O ATOM 318 CB CYS A 22 4.709 -5.914 -0.732 1.00 2.17 C ATOM 319 SG CYS A 22 4.197 -7.544 -1.308 1.00 3.26 S ATOM 0 H CYS A 22 4.010 -6.627 1.626 1.00 2.00 H new ATOM 0 HA CYS A 22 6.558 -6.410 0.223 1.00 2.88 H new ATOM 0 HB2 CYS A 22 3.819 -5.329 -0.499 1.00 2.17 H new ATOM 0 HB3 CYS A 22 5.224 -5.401 -1.545 1.00 2.17 H new ATOM 0 HG CYS A 22 3.427 -7.415 -2.348 1.00 3.26 H new ATOM 325 N VAL A 23 7.053 -4.004 0.683 1.00 2.00 N ATOM 326 CA VAL A 23 7.500 -2.694 1.143 1.00 2.00 C ATOM 327 C VAL A 23 7.614 -1.937 -0.158 1.00 2.00 C ATOM 328 O VAL A 23 8.466 -2.282 -1.001 1.00 2.00 O ATOM 329 CB VAL A 23 8.897 -2.836 1.880 1.00 2.16 C ATOM 330 CG1 VAL A 23 9.355 -1.492 2.450 1.00 2.10 C ATOM 331 CG2 VAL A 23 8.792 -3.873 2.998 1.00 2.02 C ATOM 0 H VAL A 23 7.759 -4.511 0.149 1.00 2.00 H new ATOM 0 HA VAL A 23 6.844 -2.203 1.862 1.00 2.00 H new ATOM 0 HB VAL A 23 9.638 -3.166 1.152 1.00 2.16 H new ATOM 0 HG11 VAL A 23 10.315 -1.617 2.950 1.00 2.10 H new ATOM 0 HG12 VAL A 23 9.459 -0.770 1.640 1.00 2.10 H new ATOM 0 HG13 VAL A 23 8.617 -1.130 3.166 1.00 2.10 H new ATOM 0 HG21 VAL A 23 9.755 -3.966 3.500 1.00 2.02 H new ATOM 0 HG22 VAL A 23 8.037 -3.557 3.717 1.00 2.02 H new ATOM 0 HG23 VAL A 23 8.509 -4.837 2.575 1.00 2.02 H new ATOM 341 N VAL A 24 6.750 -0.947 -0.400 1.00 2.00 N ATOM 342 CA VAL A 24 6.722 -0.315 -1.704 1.00 2.26 C ATOM 343 C VAL A 24 6.788 1.198 -1.611 1.00 2.04 C ATOM 344 O VAL A 24 6.402 1.808 -0.604 1.00 2.00 O ATOM 345 CB VAL A 24 5.411 -0.664 -2.536 1.00 2.63 C ATOM 346 CG1 VAL A 24 5.254 -2.171 -2.727 1.00 3.59 C ATOM 347 CG2 VAL A 24 4.157 -0.122 -1.808 1.00 2.08 C ATOM 0 H VAL A 24 6.080 -0.579 0.276 1.00 2.00 H new ATOM 0 HA VAL A 24 7.602 -0.710 -2.211 1.00 2.26 H new ATOM 0 HB VAL A 24 5.511 -0.194 -3.514 1.00 2.63 H new ATOM 0 HG11 VAL A 24 4.348 -2.373 -3.299 1.00 3.59 H new ATOM 0 HG12 VAL A 24 6.118 -2.562 -3.265 1.00 3.59 H new ATOM 0 HG13 VAL A 24 5.183 -2.656 -1.753 1.00 3.59 H new ATOM 0 HG21 VAL A 24 3.266 -0.367 -2.387 1.00 2.08 H new ATOM 0 HG22 VAL A 24 4.085 -0.577 -0.820 1.00 2.08 H new ATOM 0 HG23 VAL A 24 4.236 0.960 -1.704 1.00 2.08 H new ATOM 357 N HIS A 25 7.285 1.843 -2.663 1.00 3.13 N ATOM 358 CA HIS A 25 7.048 3.265 -2.735 1.00 2.12 C ATOM 359 C HIS A 25 5.979 3.435 -3.790 1.00 2.04 C ATOM 360 O HIS A 25 5.985 2.661 -4.748 1.00 2.00 O ATOM 361 CB HIS A 25 8.328 4.056 -3.109 1.00 2.00 C ATOM 362 CG HIS A 25 8.786 4.885 -1.901 1.00 2.20 C ATOM 363 ND1 HIS A 25 8.060 5.446 -0.944 1.00 2.09 N ATOM 364 CD2 HIS A 25 10.088 5.135 -1.560 1.00 2.98 C ATOM 365 CE1 HIS A 25 8.831 6.008 -0.058 1.00 2.00 C ATOM 366 NE2 HIS A 25 10.053 5.812 -0.438 1.00 2.07 N ATOM 0 H HIS A 25 7.819 1.430 -3.427 1.00 3.13 H new ATOM 0 HA HIS A 25 6.740 3.660 -1.767 1.00 2.12 H new ATOM 0 HB2 HIS A 25 9.118 3.369 -3.413 1.00 2.00 H new ATOM 0 HB3 HIS A 25 8.130 4.710 -3.958 1.00 2.00 H new ATOM 0 HD2 HIS A 25 10.969 4.834 -2.107 1.00 2.98 H new ATOM 0 HE1 HIS A 25 8.511 6.538 0.827 1.00 2.00 H new ATOM 0 HE2 HIS A 25 10.876 6.140 0.067 1.00 2.07 H new ATOM 375 N TYR A 26 5.054 4.410 -3.664 1.00 2.18 N ATOM 376 CA TYR A 26 4.043 4.583 -4.689 1.00 2.00 C ATOM 377 C TYR A 26 3.663 6.055 -4.879 1.00 2.55 C ATOM 378 O TYR A 26 3.852 6.852 -3.942 1.00 2.00 O ATOM 379 CB TYR A 26 2.776 3.737 -4.328 1.00 2.00 C ATOM 380 CG TYR A 26 1.915 4.228 -3.173 1.00 2.00 C ATOM 381 CD1 TYR A 26 0.919 5.175 -3.428 1.00 2.38 C ATOM 382 CD2 TYR A 26 2.131 3.799 -1.873 1.00 2.00 C ATOM 383 CE1 TYR A 26 0.158 5.680 -2.388 1.00 2.00 C ATOM 384 CE2 TYR A 26 1.371 4.314 -0.817 1.00 2.00 C ATOM 385 CZ TYR A 26 0.387 5.254 -1.086 1.00 2.12 C ATOM 386 OH TYR A 26 -0.383 5.771 -0.062 1.00 2.00 O ATOM 0 H TYR A 26 4.998 5.063 -2.883 1.00 2.18 H new ATOM 0 HA TYR A 26 4.461 4.233 -5.633 1.00 2.00 H new ATOM 0 HB2 TYR A 26 2.147 3.676 -5.216 1.00 2.00 H new ATOM 0 HB3 TYR A 26 3.102 2.723 -4.098 1.00 2.00 H new ATOM 0 HD1 TYR A 26 0.743 5.513 -4.438 1.00 2.38 H new ATOM 0 HD2 TYR A 26 2.893 3.060 -1.673 1.00 2.00 H new ATOM 0 HE1 TYR A 26 -0.615 6.407 -2.589 1.00 2.00 H new ATOM 0 HE2 TYR A 26 1.548 3.983 0.196 1.00 2.00 H new ATOM 0 HH TYR A 26 -0.562 6.719 -0.234 1.00 2.00 H new ATOM 396 N THR A 27 3.150 6.385 -6.068 1.00 2.38 N ATOM 397 CA THR A 27 2.490 7.660 -6.348 1.00 2.63 C ATOM 398 C THR A 27 1.234 7.235 -7.095 1.00 2.34 C ATOM 399 O THR A 27 1.311 6.480 -8.065 1.00 2.79 O ATOM 400 CB THR A 27 3.281 8.570 -7.257 1.00 2.00 C ATOM 401 OG1 THR A 27 4.509 8.863 -6.594 1.00 2.75 O ATOM 402 CG2 THR A 27 2.514 9.845 -7.545 1.00 4.47 C ATOM 0 H THR A 27 3.183 5.762 -6.875 1.00 2.38 H new ATOM 0 HA THR A 27 2.337 8.221 -5.426 1.00 2.63 H new ATOM 0 HB THR A 27 3.465 8.085 -8.215 1.00 2.00 H new ATOM 0 HG1 THR A 27 5.052 9.453 -7.157 1.00 2.75 H new ATOM 0 HG21 THR A 27 3.104 10.484 -8.202 1.00 4.47 H new ATOM 0 HG22 THR A 27 1.569 9.600 -8.030 1.00 4.47 H new ATOM 0 HG23 THR A 27 2.316 10.369 -6.610 1.00 4.47 H new ATOM 410 N GLY A 28 0.074 7.582 -6.591 1.00 3.41 N ATOM 411 CA GLY A 28 -1.220 7.263 -7.212 1.00 2.19 C ATOM 412 C GLY A 28 -1.744 8.491 -7.934 1.00 2.29 C ATOM 413 O GLY A 28 -1.796 9.578 -7.358 1.00 2.51 O ATOM 0 H GLY A 28 -0.015 8.105 -5.720 1.00 3.41 H new ATOM 0 HA2 GLY A 28 -1.107 6.436 -7.912 1.00 2.19 H new ATOM 0 HA3 GLY A 28 -1.932 6.942 -6.452 1.00 2.19 H new ATOM 417 N MET A 29 -2.169 8.282 -9.170 1.00 2.00 N ATOM 418 CA MET A 29 -2.706 9.299 -10.065 1.00 2.53 C ATOM 419 C MET A 29 -4.009 8.808 -10.713 1.00 3.85 C ATOM 420 O MET A 29 -4.367 7.619 -10.792 1.00 5.17 O ATOM 421 CB MET A 29 -1.720 9.634 -11.186 1.00 2.36 C ATOM 422 CG MET A 29 -0.448 10.232 -10.675 1.00 3.29 C ATOM 423 SD MET A 29 0.894 10.016 -11.863 1.00 18.22 S ATOM 424 CE MET A 29 1.291 8.321 -11.526 1.00 4.93 C ATOM 0 H MET A 29 -2.149 7.356 -9.598 1.00 2.00 H new ATOM 0 HA MET A 29 -2.889 10.189 -9.463 1.00 2.53 H new ATOM 0 HB2 MET A 29 -1.491 8.727 -11.746 1.00 2.36 H new ATOM 0 HB3 MET A 29 -2.190 10.329 -11.882 1.00 2.36 H new ATOM 0 HG2 MET A 29 -0.595 11.294 -10.477 1.00 3.29 H new ATOM 0 HG3 MET A 29 -0.178 9.766 -9.728 1.00 3.29 H new ATOM 0 HE1 MET A 29 2.277 8.263 -11.065 1.00 4.93 H new ATOM 0 HE2 MET A 29 0.548 7.901 -10.848 1.00 4.93 H new ATOM 0 HE3 MET A 29 1.292 7.755 -12.458 1.00 4.93 H new ATOM 434 N LEU A 30 -4.808 9.811 -11.025 1.00 5.61 N ATOM 435 CA LEU A 30 -6.030 9.697 -11.781 1.00 2.23 C ATOM 436 C LEU A 30 -5.624 9.632 -13.252 1.00 2.28 C ATOM 437 O LEU A 30 -4.512 10.046 -13.603 1.00 2.13 O ATOM 438 CB LEU A 30 -6.834 10.939 -11.440 1.00 3.44 C ATOM 439 CG LEU A 30 -8.078 10.942 -10.538 1.00 5.20 C ATOM 440 CD1 LEU A 30 -8.182 9.695 -9.682 1.00 5.93 C ATOM 441 CD2 LEU A 30 -8.042 12.208 -9.748 1.00 5.88 C ATOM 0 H LEU A 30 -4.608 10.771 -10.742 1.00 5.61 H new ATOM 0 HA LEU A 30 -6.632 8.816 -11.560 1.00 2.23 H new ATOM 0 HB2 LEU A 30 -6.132 11.641 -10.991 1.00 3.44 H new ATOM 0 HB3 LEU A 30 -7.148 11.368 -12.392 1.00 3.44 H new ATOM 0 HG LEU A 30 -8.986 10.914 -11.140 1.00 5.20 H new ATOM 0 HD11 LEU A 30 -9.079 9.751 -9.065 1.00 5.93 H new ATOM 0 HD12 LEU A 30 -8.238 8.816 -10.324 1.00 5.93 H new ATOM 0 HD13 LEU A 30 -7.304 9.620 -9.040 1.00 5.93 H new ATOM 0 HD21 LEU A 30 -8.911 12.252 -9.091 1.00 5.88 H new ATOM 0 HD22 LEU A 30 -7.132 12.237 -9.149 1.00 5.88 H new ATOM 0 HD23 LEU A 30 -8.057 13.061 -10.427 1.00 5.88 H new ATOM 453 N GLU A 31 -6.461 9.227 -14.218 1.00 2.00 N ATOM 454 CA GLU A 31 -6.056 9.175 -15.620 1.00 3.38 C ATOM 455 C GLU A 31 -5.570 10.459 -16.261 1.00 2.24 C ATOM 456 O GLU A 31 -4.873 10.473 -17.264 1.00 2.51 O ATOM 457 CB GLU A 31 -7.199 8.676 -16.449 1.00 6.39 C ATOM 458 CG GLU A 31 -7.282 7.180 -16.407 1.00 8.67 C ATOM 459 CD GLU A 31 -8.271 6.713 -17.471 1.00 12.33 C ATOM 460 OE1 GLU A 31 -9.464 7.071 -17.356 1.00 11.11 O ATOM 461 OE2 GLU A 31 -7.823 6.011 -18.393 1.00 11.97 O ATOM 0 H GLU A 31 -7.422 8.931 -14.048 1.00 2.00 H new ATOM 0 HA GLU A 31 -5.190 8.513 -15.600 1.00 3.38 H new ATOM 0 HB2 GLU A 31 -8.132 9.106 -16.084 1.00 6.39 H new ATOM 0 HB3 GLU A 31 -7.077 9.008 -17.480 1.00 6.39 H new ATOM 0 HG2 GLU A 31 -6.300 6.742 -16.586 1.00 8.67 H new ATOM 0 HG3 GLU A 31 -7.604 6.847 -15.420 1.00 8.67 H new ATOM 468 N ASP A 32 -5.917 11.602 -15.690 1.00 2.28 N ATOM 469 CA ASP A 32 -5.447 12.864 -16.228 1.00 2.22 C ATOM 470 C ASP A 32 -4.088 13.309 -15.673 1.00 2.02 C ATOM 471 O ASP A 32 -3.721 14.463 -15.940 1.00 3.63 O ATOM 472 CB ASP A 32 -6.505 13.943 -15.937 1.00 2.07 C ATOM 473 CG ASP A 32 -6.769 14.266 -14.477 1.00 4.69 C ATOM 474 OD1 ASP A 32 -6.221 13.610 -13.600 1.00 3.24 O ATOM 475 OD2 ASP A 32 -7.527 15.204 -14.215 1.00 7.19 O ATOM 0 H ASP A 32 -6.514 11.680 -14.866 1.00 2.28 H new ATOM 0 HA ASP A 32 -5.301 12.723 -17.299 1.00 2.22 H new ATOM 0 HB2 ASP A 32 -6.200 14.862 -16.439 1.00 2.07 H new ATOM 0 HB3 ASP A 32 -7.445 13.629 -16.391 1.00 2.07 H new ATOM 480 N GLY A 33 -3.408 12.475 -14.847 1.00 2.80 N ATOM 481 CA GLY A 33 -2.105 12.796 -14.283 1.00 3.15 C ATOM 482 C GLY A 33 -2.176 13.403 -12.885 1.00 5.33 C ATOM 483 O GLY A 33 -1.196 13.584 -12.164 1.00 6.47 O ATOM 0 H GLY A 33 -3.763 11.562 -14.562 1.00 2.80 H new ATOM 0 HA2 GLY A 33 -1.501 11.889 -14.246 1.00 3.15 H new ATOM 0 HA3 GLY A 33 -1.593 13.493 -14.947 1.00 3.15 H new ATOM 487 N LYS A 34 -3.338 13.772 -12.401 1.00 6.33 N ATOM 488 CA LYS A 34 -3.455 14.367 -11.096 1.00 8.80 C ATOM 489 C LYS A 34 -3.094 13.354 -10.009 1.00 8.23 C ATOM 490 O LYS A 34 -3.706 12.297 -9.898 1.00 5.74 O ATOM 491 CB LYS A 34 -4.890 14.858 -10.942 1.00 10.07 C ATOM 492 CG LYS A 34 -4.945 15.996 -9.981 1.00 12.70 C ATOM 493 CD LYS A 34 -5.293 15.591 -8.561 1.00 16.34 C ATOM 494 CE LYS A 34 -6.780 15.267 -8.496 1.00 21.18 C ATOM 495 NZ LYS A 34 -7.595 16.452 -8.725 1.00 21.86 N ATOM 0 H LYS A 34 -4.222 13.668 -12.899 1.00 6.33 H new ATOM 0 HA LYS A 34 -2.763 15.203 -10.991 1.00 8.80 H new ATOM 0 HB2 LYS A 34 -5.281 15.171 -11.910 1.00 10.07 H new ATOM 0 HB3 LYS A 34 -5.525 14.045 -10.590 1.00 10.07 H new ATOM 0 HG2 LYS A 34 -3.979 16.501 -9.977 1.00 12.70 H new ATOM 0 HG3 LYS A 34 -5.681 16.719 -10.332 1.00 12.70 H new ATOM 0 HD2 LYS A 34 -4.704 14.725 -8.260 1.00 16.34 H new ATOM 0 HD3 LYS A 34 -5.051 16.397 -7.868 1.00 16.34 H new ATOM 0 HE2 LYS A 34 -7.021 14.509 -9.241 1.00 21.18 H new ATOM 0 HE3 LYS A 34 -7.019 14.843 -7.521 1.00 21.18 H new ATOM 0 HZ1 LYS A 34 -8.519 16.333 -8.263 1.00 21.86 H new ATOM 0 HZ2 LYS A 34 -7.115 17.285 -8.329 1.00 21.86 H new ATOM 0 HZ3 LYS A 34 -7.734 16.586 -9.747 1.00 21.86 H new ATOM 509 N LYS A 35 -2.135 13.728 -9.181 1.00 7.56 N ATOM 510 CA LYS A 35 -1.658 12.928 -8.080 1.00 8.04 C ATOM 511 C LYS A 35 -2.661 13.047 -6.969 1.00 5.68 C ATOM 512 O LYS A 35 -3.054 14.163 -6.596 1.00 6.91 O ATOM 513 CB LYS A 35 -0.307 13.470 -7.614 1.00 8.72 C ATOM 514 CG LYS A 35 0.510 12.681 -6.585 1.00 12.44 C ATOM 515 CD LYS A 35 1.806 13.407 -6.179 1.00 14.32 C ATOM 516 CE LYS A 35 1.543 14.729 -5.415 1.00 15.27 C ATOM 517 NZ LYS A 35 2.772 15.453 -5.097 1.00 16.18 N ATOM 0 H LYS A 35 -1.656 14.625 -9.263 1.00 7.56 H new ATOM 0 HA LYS A 35 -1.537 11.886 -8.377 1.00 8.04 H new ATOM 0 HB2 LYS A 35 0.317 13.596 -8.499 1.00 8.72 H new ATOM 0 HB3 LYS A 35 -0.479 14.464 -7.201 1.00 8.72 H new ATOM 0 HG2 LYS A 35 -0.099 12.508 -5.698 1.00 12.44 H new ATOM 0 HG3 LYS A 35 0.759 11.703 -6.996 1.00 12.44 H new ATOM 0 HD2 LYS A 35 2.406 12.746 -5.554 1.00 14.32 H new ATOM 0 HD3 LYS A 35 2.392 13.620 -7.073 1.00 14.32 H new ATOM 0 HE2 LYS A 35 0.895 15.368 -6.016 1.00 15.27 H new ATOM 0 HE3 LYS A 35 1.007 14.509 -4.492 1.00 15.27 H new ATOM 0 HZ1 LYS A 35 2.540 16.433 -4.839 1.00 16.18 H new ATOM 0 HZ2 LYS A 35 3.252 14.989 -4.300 1.00 16.18 H new ATOM 0 HZ3 LYS A 35 3.400 15.453 -5.926 1.00 16.18 H new ATOM 531 N PHE A 36 -3.081 11.936 -6.402 1.00 3.94 N ATOM 532 CA PHE A 36 -3.947 12.021 -5.234 1.00 2.69 C ATOM 533 C PHE A 36 -3.191 11.619 -3.967 1.00 2.19 C ATOM 534 O PHE A 36 -3.654 11.894 -2.855 1.00 2.00 O ATOM 535 CB PHE A 36 -5.200 11.146 -5.430 1.00 2.10 C ATOM 536 CG PHE A 36 -5.037 9.686 -5.837 1.00 4.03 C ATOM 537 CD1 PHE A 36 -4.792 8.711 -4.869 1.00 2.64 C ATOM 538 CD2 PHE A 36 -5.208 9.337 -7.176 1.00 5.73 C ATOM 539 CE1 PHE A 36 -4.729 7.384 -5.250 1.00 2.73 C ATOM 540 CE2 PHE A 36 -5.143 7.998 -7.532 1.00 4.29 C ATOM 541 CZ PHE A 36 -4.906 7.026 -6.575 1.00 3.77 C ATOM 0 H PHE A 36 -2.850 10.992 -6.713 1.00 3.94 H new ATOM 0 HA PHE A 36 -4.268 13.056 -5.117 1.00 2.69 H new ATOM 0 HB2 PHE A 36 -5.761 11.164 -4.496 1.00 2.10 H new ATOM 0 HB3 PHE A 36 -5.821 11.629 -6.185 1.00 2.10 H new ATOM 0 HD1 PHE A 36 -4.653 8.990 -3.835 1.00 2.64 H new ATOM 0 HD2 PHE A 36 -5.388 10.096 -7.923 1.00 5.73 H new ATOM 0 HE1 PHE A 36 -4.540 6.621 -4.509 1.00 2.73 H new ATOM 0 HE2 PHE A 36 -5.278 7.711 -8.564 1.00 4.29 H new ATOM 0 HZ PHE A 36 -4.859 5.986 -6.863 1.00 3.77 H new ATOM 551 N ASP A 37 -2.058 10.929 -4.096 1.00 3.41 N ATOM 552 CA ASP A 37 -1.240 10.566 -2.923 1.00 2.12 C ATOM 553 C ASP A 37 0.073 9.945 -3.361 1.00 2.45 C ATOM 554 O ASP A 37 0.129 9.432 -4.469 1.00 2.93 O ATOM 555 CB ASP A 37 -1.913 9.532 -1.995 1.00 2.05 C ATOM 556 CG ASP A 37 -1.197 9.476 -0.635 1.00 2.59 C ATOM 557 OD1 ASP A 37 -0.987 10.520 -0.027 1.00 6.13 O ATOM 558 OD2 ASP A 37 -0.792 8.420 -0.185 1.00 2.00 O ATOM 0 H ASP A 37 -1.682 10.610 -4.989 1.00 3.41 H new ATOM 0 HA ASP A 37 -1.100 11.501 -2.381 1.00 2.12 H new ATOM 0 HB2 ASP A 37 -2.961 9.794 -1.849 1.00 2.05 H new ATOM 0 HB3 ASP A 37 -1.893 8.548 -2.463 1.00 2.05 H new ATOM 563 N SER A 38 1.115 10.015 -2.517 1.00 2.00 N ATOM 564 CA SER A 38 2.446 9.460 -2.792 1.00 2.93 C ATOM 565 C SER A 38 3.207 9.242 -1.494 1.00 2.00 C ATOM 566 O SER A 38 3.272 10.152 -0.662 1.00 2.00 O ATOM 567 CB SER A 38 3.285 10.400 -3.676 1.00 2.08 C ATOM 568 OG SER A 38 4.540 9.798 -3.957 1.00 2.00 O ATOM 0 H SER A 38 1.052 10.469 -1.606 1.00 2.00 H new ATOM 0 HA SER A 38 2.291 8.516 -3.313 1.00 2.93 H new ATOM 0 HB2 SER A 38 2.755 10.610 -4.605 1.00 2.08 H new ATOM 0 HB3 SER A 38 3.433 11.354 -3.171 1.00 2.08 H new ATOM 0 HG SER A 38 4.538 9.450 -4.873 1.00 2.00 H new ATOM 574 N SER A 39 3.742 8.034 -1.279 1.00 2.00 N ATOM 575 CA SER A 39 4.572 7.805 -0.095 1.00 2.30 C ATOM 576 C SER A 39 5.947 8.437 -0.318 1.00 2.10 C ATOM 577 O SER A 39 6.699 8.681 0.632 1.00 2.00 O ATOM 578 CB SER A 39 4.747 6.315 0.184 1.00 2.05 C ATOM 579 OG SER A 39 5.237 5.621 -0.956 1.00 2.24 O ATOM 0 H SER A 39 3.620 7.225 -1.888 1.00 2.00 H new ATOM 0 HA SER A 39 4.075 8.257 0.763 1.00 2.30 H new ATOM 0 HB2 SER A 39 5.437 6.179 1.017 1.00 2.05 H new ATOM 0 HB3 SER A 39 3.792 5.887 0.488 1.00 2.05 H new ATOM 0 HG SER A 39 6.213 5.553 -0.903 1.00 2.24 H new ATOM 585 N ARG A 40 6.294 8.667 -1.596 1.00 2.24 N ATOM 586 CA ARG A 40 7.553 9.274 -1.949 1.00 2.47 C ATOM 587 C ARG A 40 7.538 10.701 -1.360 1.00 4.47 C ATOM 588 O ARG A 40 8.535 11.116 -0.783 1.00 3.23 O ATOM 589 CB ARG A 40 7.756 9.302 -3.488 1.00 2.21 C ATOM 590 CG ARG A 40 7.920 7.902 -4.122 1.00 3.48 C ATOM 591 CD ARG A 40 8.353 7.864 -5.615 1.00 6.38 C ATOM 592 NE ARG A 40 8.385 6.506 -6.192 1.00 9.98 N ATOM 593 CZ ARG A 40 7.322 5.955 -6.838 1.00 10.55 C ATOM 594 NH1 ARG A 40 6.174 6.627 -6.990 1.00 10.41 N ATOM 595 NH2 ARG A 40 7.374 4.698 -7.346 1.00 10.02 N ATOM 0 H ARG A 40 5.704 8.434 -2.394 1.00 2.24 H new ATOM 0 HA ARG A 40 8.385 8.697 -1.545 1.00 2.47 H new ATOM 0 HB2 ARG A 40 6.903 9.801 -3.948 1.00 2.21 H new ATOM 0 HB3 ARG A 40 8.638 9.900 -3.718 1.00 2.21 H new ATOM 0 HG2 ARG A 40 8.655 7.347 -3.539 1.00 3.48 H new ATOM 0 HG3 ARG A 40 6.973 7.371 -4.028 1.00 3.48 H new ATOM 0 HD2 ARG A 40 7.668 8.480 -6.198 1.00 6.38 H new ATOM 0 HD3 ARG A 40 9.343 8.312 -5.708 1.00 6.38 H new ATOM 0 HE ARG A 40 9.240 5.957 -6.103 1.00 9.98 H new ATOM 0 HH11 ARG A 40 6.083 7.572 -6.618 1.00 10.41 H new ATOM 0 HH12 ARG A 40 5.390 6.194 -7.478 1.00 10.41 H new ATOM 0 HH21 ARG A 40 8.224 4.143 -7.248 1.00 10.02 H new ATOM 0 HH22 ARG A 40 6.563 4.308 -7.826 1.00 10.02 H new ATOM 609 N ASP A 41 6.410 11.411 -1.344 1.00 5.39 N ATOM 610 CA ASP A 41 6.346 12.732 -0.712 1.00 4.46 C ATOM 611 C ASP A 41 6.509 12.617 0.809 1.00 4.66 C ATOM 612 O ASP A 41 6.983 13.561 1.443 1.00 5.88 O ATOM 613 CB ASP A 41 4.984 13.428 -1.035 1.00 4.98 C ATOM 614 CG ASP A 41 4.732 13.697 -2.514 1.00 5.60 C ATOM 615 OD1 ASP A 41 5.654 13.940 -3.296 1.00 7.25 O ATOM 616 OD2 ASP A 41 3.563 13.633 -2.895 1.00 8.02 O ATOM 0 H ASP A 41 5.532 11.098 -1.758 1.00 5.39 H new ATOM 0 HA ASP A 41 7.162 13.333 -1.112 1.00 4.46 H new ATOM 0 HB2 ASP A 41 4.175 12.806 -0.652 1.00 4.98 H new ATOM 0 HB3 ASP A 41 4.940 14.375 -0.497 1.00 4.98 H new ATOM 621 N ARG A 42 6.119 11.501 1.431 1.00 6.18 N ATOM 622 CA ARG A 42 6.335 11.336 2.857 1.00 6.28 C ATOM 623 C ARG A 42 7.703 10.713 3.172 1.00 6.35 C ATOM 624 O ARG A 42 8.161 10.698 4.325 1.00 4.86 O ATOM 625 CB ARG A 42 5.285 10.455 3.476 1.00 6.80 C ATOM 626 CG ARG A 42 3.890 10.877 3.088 1.00 8.27 C ATOM 627 CD ARG A 42 2.864 10.037 3.838 1.00 6.41 C ATOM 628 NE ARG A 42 2.629 8.659 3.463 1.00 9.14 N ATOM 629 CZ ARG A 42 1.775 8.322 2.489 1.00 9.65 C ATOM 630 NH1 ARG A 42 1.182 9.268 1.753 1.00 10.21 N ATOM 631 NH2 ARG A 42 1.573 7.040 2.193 1.00 8.82 N ATOM 0 H ARG A 42 5.660 10.714 0.972 1.00 6.18 H new ATOM 0 HA ARG A 42 6.285 12.341 3.276 1.00 6.28 H new ATOM 0 HB2 ARG A 42 5.450 9.423 3.167 1.00 6.80 H new ATOM 0 HB3 ARG A 42 5.383 10.482 4.561 1.00 6.80 H new ATOM 0 HG2 ARG A 42 3.744 11.933 3.316 1.00 8.27 H new ATOM 0 HG3 ARG A 42 3.752 10.761 2.013 1.00 8.27 H new ATOM 0 HD2 ARG A 42 3.152 10.040 4.889 1.00 6.41 H new ATOM 0 HD3 ARG A 42 1.909 10.557 3.768 1.00 6.41 H new ATOM 0 HE ARG A 42 3.130 7.921 3.957 1.00 9.14 H new ATOM 0 HH11 ARG A 42 1.380 10.252 1.932 1.00 10.21 H new ATOM 0 HH12 ARG A 42 0.532 9.005 1.012 1.00 10.21 H new ATOM 0 HH21 ARG A 42 2.069 6.313 2.709 1.00 8.82 H new ATOM 0 HH22 ARG A 42 0.922 6.784 1.451 1.00 8.82 H new ATOM 645 N ASN A 43 8.397 10.225 2.135 1.00 9.32 N ATOM 646 CA ASN A 43 9.699 9.601 2.248 1.00 9.05 C ATOM 647 C ASN A 43 9.659 8.416 3.224 1.00 10.05 C ATOM 648 O ASN A 43 10.585 8.118 3.950 1.00 6.95 O ATOM 649 CB ASN A 43 10.664 10.681 2.679 1.00 11.21 C ATOM 650 CG ASN A 43 12.093 10.204 2.616 1.00 14.48 C ATOM 651 OD1 ASN A 43 12.846 10.400 3.557 1.00 16.38 O ATOM 652 ND2 ASN A 43 12.629 9.626 1.548 1.00 15.17 N ATOM 0 H ASN A 43 8.050 10.260 1.176 1.00 9.32 H new ATOM 0 HA ASN A 43 10.022 9.179 1.297 1.00 9.05 H new ATOM 0 HB2 ASN A 43 10.543 11.555 2.039 1.00 11.21 H new ATOM 0 HB3 ASN A 43 10.429 10.995 3.696 1.00 11.21 H new ATOM 0 HD21 ASN A 43 13.617 9.373 1.547 1.00 15.17 H new ATOM 0 HD22 ASN A 43 12.053 9.435 0.728 1.00 15.17 H new ATOM 659 N LYS A 44 8.570 7.683 3.293 1.00 10.76 N ATOM 660 CA LYS A 44 8.474 6.523 4.160 1.00 10.17 C ATOM 661 C LYS A 44 7.718 5.492 3.314 1.00 8.67 C ATOM 662 O LYS A 44 6.661 5.838 2.749 1.00 7.64 O ATOM 663 CB LYS A 44 7.724 6.952 5.440 1.00 13.81 C ATOM 664 CG LYS A 44 7.661 5.875 6.546 1.00 15.25 C ATOM 665 CD LYS A 44 6.928 6.427 7.770 1.00 17.60 C ATOM 666 CE LYS A 44 6.521 5.315 8.762 1.00 19.28 C ATOM 667 NZ LYS A 44 5.454 4.473 8.237 1.00 20.21 N ATOM 0 H LYS A 44 7.726 7.871 2.752 1.00 10.76 H new ATOM 0 HA LYS A 44 9.423 6.102 4.493 1.00 10.17 H new ATOM 0 HB2 LYS A 44 8.206 7.841 5.846 1.00 13.81 H new ATOM 0 HB3 LYS A 44 6.707 7.236 5.170 1.00 13.81 H new ATOM 0 HG2 LYS A 44 7.148 4.988 6.173 1.00 15.25 H new ATOM 0 HG3 LYS A 44 8.669 5.567 6.823 1.00 15.25 H new ATOM 0 HD2 LYS A 44 7.568 7.148 8.279 1.00 17.60 H new ATOM 0 HD3 LYS A 44 6.037 6.965 7.445 1.00 17.60 H new ATOM 0 HE2 LYS A 44 7.390 4.698 8.990 1.00 19.28 H new ATOM 0 HE3 LYS A 44 6.197 5.767 9.699 1.00 19.28 H new ATOM 0 HZ1 LYS A 44 5.086 3.865 8.996 1.00 20.21 H new ATOM 0 HZ2 LYS A 44 4.687 5.072 7.871 1.00 20.21 H new ATOM 0 HZ3 LYS A 44 5.826 3.879 7.469 1.00 20.21 H new ATOM 681 N PRO A 45 8.294 4.296 3.014 1.00 8.75 N ATOM 682 CA PRO A 45 7.661 3.256 2.203 1.00 5.33 C ATOM 683 C PRO A 45 6.355 2.812 2.840 1.00 3.26 C ATOM 684 O PRO A 45 6.201 2.871 4.064 1.00 2.00 O ATOM 685 CB PRO A 45 8.626 2.097 2.128 1.00 4.54 C ATOM 686 CG PRO A 45 9.937 2.724 2.512 1.00 6.86 C ATOM 687 CD PRO A 45 9.574 3.798 3.533 1.00 6.96 C ATOM 0 HA PRO A 45 7.432 3.632 1.206 1.00 5.33 H new ATOM 0 HB2 PRO A 45 8.347 1.295 2.811 1.00 4.54 H new ATOM 0 HB3 PRO A 45 8.662 1.666 1.127 1.00 4.54 H new ATOM 0 HG2 PRO A 45 10.617 1.987 2.939 1.00 6.86 H new ATOM 0 HG3 PRO A 45 10.437 3.156 1.645 1.00 6.86 H new ATOM 0 HD2 PRO A 45 9.474 3.388 4.538 1.00 6.96 H new ATOM 0 HD3 PRO A 45 10.327 4.584 3.583 1.00 6.96 H new ATOM 695 N PHE A 46 5.429 2.343 2.001 1.00 3.06 N ATOM 696 CA PHE A 46 4.172 1.864 2.521 1.00 2.08 C ATOM 697 C PHE A 46 4.310 0.355 2.666 1.00 2.00 C ATOM 698 O PHE A 46 4.838 -0.278 1.757 1.00 2.00 O ATOM 699 CB PHE A 46 3.073 2.237 1.526 1.00 2.00 C ATOM 700 CG PHE A 46 1.705 1.712 1.870 1.00 2.33 C ATOM 701 CD1 PHE A 46 0.981 2.289 2.886 1.00 2.08 C ATOM 702 CD2 PHE A 46 1.191 0.658 1.158 1.00 2.08 C ATOM 703 CE1 PHE A 46 -0.268 1.796 3.186 1.00 4.65 C ATOM 704 CE2 PHE A 46 -0.056 0.177 1.473 1.00 3.26 C ATOM 705 CZ PHE A 46 -0.798 0.740 2.489 1.00 3.32 C ATOM 0 H PHE A 46 5.531 2.290 0.988 1.00 3.06 H new ATOM 0 HA PHE A 46 3.916 2.301 3.486 1.00 2.08 H new ATOM 0 HB2 PHE A 46 3.022 3.323 1.453 1.00 2.00 H new ATOM 0 HB3 PHE A 46 3.353 1.864 0.541 1.00 2.00 H new ATOM 0 HD1 PHE A 46 1.388 3.120 3.443 1.00 2.08 H new ATOM 0 HD2 PHE A 46 1.762 0.211 0.357 1.00 2.08 H new ATOM 0 HE1 PHE A 46 -0.840 2.248 3.983 1.00 4.65 H new ATOM 0 HE2 PHE A 46 -0.461 -0.655 0.916 1.00 3.26 H new ATOM 0 HZ PHE A 46 -1.778 0.357 2.732 1.00 3.32 H new ATOM 715 N LYS A 47 3.835 -0.265 3.735 1.00 2.00 N ATOM 716 CA LYS A 47 3.917 -1.717 3.850 1.00 3.08 C ATOM 717 C LYS A 47 2.524 -2.363 3.771 1.00 2.74 C ATOM 718 O LYS A 47 1.594 -1.822 4.390 1.00 2.00 O ATOM 719 CB LYS A 47 4.516 -2.122 5.188 1.00 2.52 C ATOM 720 CG LYS A 47 5.950 -1.712 5.281 1.00 5.16 C ATOM 721 CD LYS A 47 6.608 -2.194 6.557 1.00 8.34 C ATOM 722 CE LYS A 47 8.069 -1.829 6.361 1.00 8.64 C ATOM 723 NZ LYS A 47 8.853 -2.082 7.561 1.00 10.62 N ATOM 0 H LYS A 47 3.394 0.204 4.526 1.00 2.00 H new ATOM 0 HA LYS A 47 4.543 -2.057 3.025 1.00 3.08 H new ATOM 0 HB2 LYS A 47 3.950 -1.662 5.998 1.00 2.52 H new ATOM 0 HB3 LYS A 47 4.434 -3.201 5.315 1.00 2.52 H new ATOM 0 HG2 LYS A 47 6.494 -2.107 4.423 1.00 5.16 H new ATOM 0 HG3 LYS A 47 6.018 -0.625 5.229 1.00 5.16 H new ATOM 0 HD2 LYS A 47 6.186 -1.705 7.435 1.00 8.34 H new ATOM 0 HD3 LYS A 47 6.477 -3.267 6.696 1.00 8.34 H new ATOM 0 HE2 LYS A 47 8.479 -2.403 5.530 1.00 8.64 H new ATOM 0 HE3 LYS A 47 8.148 -0.776 6.090 1.00 8.64 H new ATOM 0 HZ1 LYS A 47 9.673 -1.443 7.581 1.00 10.62 H new ATOM 0 HZ2 LYS A 47 8.264 -1.916 8.402 1.00 10.62 H new ATOM 0 HZ3 LYS A 47 9.183 -3.068 7.558 1.00 10.62 H new ATOM 737 N PHE A 48 2.331 -3.463 3.044 1.00 2.00 N ATOM 738 CA PHE A 48 1.088 -4.209 3.153 1.00 2.38 C ATOM 739 C PHE A 48 1.434 -5.684 3.051 1.00 2.38 C ATOM 740 O PHE A 48 2.436 -6.008 2.387 1.00 4.31 O ATOM 741 CB PHE A 48 0.094 -3.836 2.038 1.00 2.00 C ATOM 742 CG PHE A 48 0.412 -4.345 0.633 1.00 2.08 C ATOM 743 CD1 PHE A 48 1.302 -3.656 -0.160 1.00 2.00 C ATOM 744 CD2 PHE A 48 -0.215 -5.484 0.143 1.00 2.00 C ATOM 745 CE1 PHE A 48 1.559 -4.099 -1.434 1.00 2.00 C ATOM 746 CE2 PHE A 48 0.048 -5.927 -1.151 1.00 2.00 C ATOM 747 CZ PHE A 48 0.937 -5.226 -1.938 1.00 2.20 C ATOM 0 H PHE A 48 3.009 -3.848 2.386 1.00 2.00 H new ATOM 0 HA PHE A 48 0.609 -3.972 4.103 1.00 2.38 H new ATOM 0 HB2 PHE A 48 -0.890 -4.211 2.321 1.00 2.00 H new ATOM 0 HB3 PHE A 48 0.021 -2.749 1.997 1.00 2.00 H new ATOM 0 HD1 PHE A 48 1.795 -2.772 0.218 1.00 2.00 H new ATOM 0 HD2 PHE A 48 -0.909 -6.028 0.768 1.00 2.00 H new ATOM 0 HE1 PHE A 48 2.259 -3.558 -2.053 1.00 2.00 H new ATOM 0 HE2 PHE A 48 -0.440 -6.811 -1.534 1.00 2.00 H new ATOM 0 HZ PHE A 48 1.147 -5.556 -2.945 1.00 2.20 H new ATOM 757 N MET A 49 0.675 -6.602 3.669 1.00 2.00 N ATOM 758 CA MET A 49 0.845 -8.046 3.489 1.00 2.02 C ATOM 759 C MET A 49 -0.054 -8.554 2.381 1.00 2.13 C ATOM 760 O MET A 49 -1.280 -8.315 2.393 1.00 2.11 O ATOM 761 CB MET A 49 0.504 -8.809 4.789 1.00 2.17 C ATOM 762 CG MET A 49 0.272 -10.339 4.704 1.00 2.67 C ATOM 763 SD MET A 49 0.172 -11.210 6.296 1.00 2.56 S ATOM 764 CE MET A 49 1.488 -10.461 7.169 1.00 2.40 C ATOM 0 H MET A 49 -0.079 -6.358 4.312 1.00 2.00 H new ATOM 0 HA MET A 49 1.889 -8.222 3.228 1.00 2.02 H new ATOM 0 HB2 MET A 49 1.313 -8.634 5.499 1.00 2.17 H new ATOM 0 HB3 MET A 49 -0.394 -8.360 5.212 1.00 2.17 H new ATOM 0 HG2 MET A 49 -0.652 -10.518 4.154 1.00 2.67 H new ATOM 0 HG3 MET A 49 1.081 -10.779 4.120 1.00 2.67 H new ATOM 0 HE1 MET A 49 1.775 -11.094 8.008 1.00 2.40 H new ATOM 0 HE2 MET A 49 2.341 -10.334 6.502 1.00 2.40 H new ATOM 0 HE3 MET A 49 1.170 -9.487 7.541 1.00 2.40 H new ATOM 774 N LEU A 50 0.581 -9.240 1.445 1.00 2.73 N ATOM 775 CA LEU A 50 -0.077 -9.867 0.346 1.00 2.85 C ATOM 776 C LEU A 50 -1.026 -10.945 0.835 1.00 3.08 C ATOM 777 O LEU A 50 -0.627 -11.834 1.587 1.00 2.26 O ATOM 778 CB LEU A 50 0.881 -10.606 -0.596 1.00 2.20 C ATOM 779 CG LEU A 50 1.163 -10.238 -2.015 1.00 2.52 C ATOM 780 CD1 LEU A 50 1.518 -11.571 -2.679 1.00 2.96 C ATOM 781 CD2 LEU A 50 0.009 -9.627 -2.739 1.00 2.66 C ATOM 0 H LEU A 50 1.593 -9.371 1.442 1.00 2.73 H new ATOM 0 HA LEU A 50 -0.577 -9.050 -0.174 1.00 2.85 H new ATOM 0 HB2 LEU A 50 1.848 -10.608 -0.093 1.00 2.20 H new ATOM 0 HB3 LEU A 50 0.533 -11.639 -0.622 1.00 2.20 H new ATOM 0 HG LEU A 50 1.945 -9.479 -2.049 1.00 2.52 H new ATOM 0 HD11 LEU A 50 1.743 -11.404 -3.732 1.00 2.96 H new ATOM 0 HD12 LEU A 50 2.389 -12.003 -2.186 1.00 2.96 H new ATOM 0 HD13 LEU A 50 0.675 -12.257 -2.592 1.00 2.96 H new ATOM 0 HD21 LEU A 50 0.304 -9.392 -3.762 1.00 2.66 H new ATOM 0 HD22 LEU A 50 -0.824 -10.330 -2.754 1.00 2.66 H new ATOM 0 HD23 LEU A 50 -0.297 -8.713 -2.230 1.00 2.66 H new ATOM 793 N GLY A 51 -2.272 -10.888 0.342 1.00 2.96 N ATOM 794 CA GLY A 51 -3.297 -11.871 0.625 1.00 2.36 C ATOM 795 C GLY A 51 -4.116 -11.570 1.855 1.00 4.78 C ATOM 796 O GLY A 51 -5.125 -12.226 2.101 1.00 4.95 O ATOM 0 H GLY A 51 -2.589 -10.139 -0.274 1.00 2.96 H new ATOM 0 HA2 GLY A 51 -3.964 -11.942 -0.234 1.00 2.36 H new ATOM 0 HA3 GLY A 51 -2.826 -12.847 0.745 1.00 2.36 H new ATOM 800 N LYS A 52 -3.792 -10.523 2.595 1.00 3.99 N ATOM 801 CA LYS A 52 -4.536 -10.210 3.783 1.00 4.41 C ATOM 802 C LYS A 52 -5.811 -9.390 3.540 1.00 6.54 C ATOM 803 O LYS A 52 -6.556 -9.099 4.466 1.00 6.39 O ATOM 804 CB LYS A 52 -3.629 -9.477 4.648 1.00 5.08 C ATOM 805 CG LYS A 52 -3.919 -9.560 6.134 1.00 4.53 C ATOM 806 CD LYS A 52 -2.997 -8.444 6.538 1.00 6.87 C ATOM 807 CE LYS A 52 -2.826 -8.377 7.978 1.00 7.65 C ATOM 808 NZ LYS A 52 -2.224 -7.099 8.303 1.00 10.26 N ATOM 0 H LYS A 52 -3.023 -9.885 2.389 1.00 3.99 H new ATOM 0 HA LYS A 52 -4.890 -11.141 4.225 1.00 4.41 H new ATOM 0 HB2 LYS A 52 -2.617 -9.842 4.474 1.00 5.08 H new ATOM 0 HB3 LYS A 52 -3.644 -8.428 4.353 1.00 5.08 H new ATOM 0 HG2 LYS A 52 -4.963 -9.371 6.383 1.00 4.53 H new ATOM 0 HG3 LYS A 52 -3.655 -10.522 6.574 1.00 4.53 H new ATOM 0 HD2 LYS A 52 -2.026 -8.586 6.063 1.00 6.87 H new ATOM 0 HD3 LYS A 52 -3.394 -7.496 6.175 1.00 6.87 H new ATOM 0 HE2 LYS A 52 -3.787 -8.483 8.480 1.00 7.65 H new ATOM 0 HE3 LYS A 52 -2.193 -9.194 8.324 1.00 7.65 H new ATOM 0 HZ1 LYS A 52 -2.352 -6.903 9.316 1.00 10.26 H new ATOM 0 HZ2 LYS A 52 -1.208 -7.127 8.082 1.00 10.26 H new ATOM 0 HZ3 LYS A 52 -2.679 -6.349 7.745 1.00 10.26 H new ATOM 822 N GLN A 53 -6.093 -8.987 2.306 1.00 5.52 N ATOM 823 CA GLN A 53 -7.281 -8.219 1.946 1.00 7.26 C ATOM 824 C GLN A 53 -7.329 -6.832 2.573 1.00 6.71 C ATOM 825 O GLN A 53 -8.379 -6.361 3.020 1.00 7.22 O ATOM 826 CB GLN A 53 -8.547 -8.958 2.353 1.00 6.90 C ATOM 827 CG GLN A 53 -8.845 -10.236 1.619 1.00 8.41 C ATOM 828 CD GLN A 53 -9.809 -11.088 2.431 1.00 8.08 C ATOM 829 OE1 GLN A 53 -10.795 -10.630 3.016 1.00 7.07 O ATOM 830 NE2 GLN A 53 -9.516 -12.381 2.473 1.00 10.24 N ATOM 0 H GLN A 53 -5.489 -9.189 1.510 1.00 5.52 H new ATOM 0 HA GLN A 53 -7.223 -8.101 0.864 1.00 7.26 H new ATOM 0 HB2 GLN A 53 -8.483 -9.183 3.418 1.00 6.90 H new ATOM 0 HB3 GLN A 53 -9.393 -8.284 2.220 1.00 6.90 H new ATOM 0 HG2 GLN A 53 -9.277 -10.013 0.643 1.00 8.41 H new ATOM 0 HG3 GLN A 53 -7.921 -10.787 1.440 1.00 8.41 H new ATOM 0 HE21 GLN A 53 -8.695 -12.734 1.981 1.00 10.24 H new ATOM 0 HE22 GLN A 53 -10.111 -13.022 2.997 1.00 10.24 H new ATOM 839 N GLU A 54 -6.177 -6.160 2.632 1.00 3.31 N ATOM 840 CA GLU A 54 -6.169 -4.828 3.180 1.00 4.11 C ATOM 841 C GLU A 54 -5.820 -3.731 2.181 1.00 2.44 C ATOM 842 O GLU A 54 -5.752 -2.577 2.568 1.00 2.19 O ATOM 843 CB GLU A 54 -5.220 -4.764 4.327 1.00 6.18 C ATOM 844 CG GLU A 54 -3.769 -5.101 3.991 1.00 7.49 C ATOM 845 CD GLU A 54 -2.855 -5.019 5.202 1.00 8.80 C ATOM 846 OE1 GLU A 54 -3.344 -4.749 6.303 1.00 10.56 O ATOM 847 OE2 GLU A 54 -1.660 -5.250 5.063 1.00 3.57 O ATOM 0 H GLU A 54 -5.273 -6.512 2.316 1.00 3.31 H new ATOM 0 HA GLU A 54 -7.194 -4.635 3.497 1.00 4.11 H new ATOM 0 HB2 GLU A 54 -5.254 -3.760 4.750 1.00 6.18 H new ATOM 0 HB3 GLU A 54 -5.565 -5.449 5.102 1.00 6.18 H new ATOM 0 HG2 GLU A 54 -3.721 -6.106 3.571 1.00 7.49 H new ATOM 0 HG3 GLU A 54 -3.410 -4.417 3.222 1.00 7.49 H new ATOM 854 N VAL A 55 -5.545 -4.079 0.936 1.00 2.00 N ATOM 855 CA VAL A 55 -5.365 -3.129 -0.145 1.00 2.05 C ATOM 856 C VAL A 55 -6.380 -3.462 -1.247 1.00 2.45 C ATOM 857 O VAL A 55 -7.096 -4.487 -1.172 1.00 2.43 O ATOM 858 CB VAL A 55 -3.925 -3.188 -0.726 1.00 2.04 C ATOM 859 CG1 VAL A 55 -3.042 -2.506 0.298 1.00 2.03 C ATOM 860 CG2 VAL A 55 -3.482 -4.619 -1.071 1.00 2.00 C ATOM 0 H VAL A 55 -5.439 -5.050 0.644 1.00 2.00 H new ATOM 0 HA VAL A 55 -5.521 -2.121 0.239 1.00 2.05 H new ATOM 0 HB VAL A 55 -3.861 -2.674 -1.685 1.00 2.04 H new ATOM 0 HG11 VAL A 55 -2.009 -2.513 -0.050 1.00 2.03 H new ATOM 0 HG12 VAL A 55 -3.372 -1.476 0.435 1.00 2.03 H new ATOM 0 HG13 VAL A 55 -3.108 -3.038 1.247 1.00 2.03 H new ATOM 0 HG21 VAL A 55 -2.469 -4.599 -1.473 1.00 2.00 H new ATOM 0 HG22 VAL A 55 -3.504 -5.234 -0.171 1.00 2.00 H new ATOM 0 HG23 VAL A 55 -4.159 -5.040 -1.814 1.00 2.00 H new ATOM 870 N ILE A 56 -6.488 -2.617 -2.272 1.00 2.91 N ATOM 871 CA ILE A 56 -7.450 -2.844 -3.325 1.00 2.47 C ATOM 872 C ILE A 56 -7.000 -4.028 -4.194 1.00 2.36 C ATOM 873 O ILE A 56 -5.793 -4.348 -4.343 1.00 2.00 O ATOM 874 CB ILE A 56 -7.669 -1.526 -4.219 1.00 4.27 C ATOM 875 CG1 ILE A 56 -6.354 -0.871 -4.662 1.00 5.57 C ATOM 876 CG2 ILE A 56 -8.488 -0.527 -3.391 1.00 3.68 C ATOM 877 CD1 ILE A 56 -6.469 0.202 -5.778 1.00 5.31 C ATOM 0 H ILE A 56 -5.921 -1.777 -2.386 1.00 2.91 H new ATOM 0 HA ILE A 56 -8.409 -3.084 -2.867 1.00 2.47 H new ATOM 0 HB ILE A 56 -8.189 -1.818 -5.132 1.00 4.27 H new ATOM 0 HG12 ILE A 56 -5.889 -0.411 -3.790 1.00 5.57 H new ATOM 0 HG13 ILE A 56 -5.679 -1.654 -5.007 1.00 5.57 H new ATOM 0 HG21 ILE A 56 -8.653 0.380 -3.973 1.00 3.68 H new ATOM 0 HG22 ILE A 56 -9.449 -0.971 -3.131 1.00 3.68 H new ATOM 0 HG23 ILE A 56 -7.945 -0.279 -2.479 1.00 3.68 H new ATOM 0 HD11 ILE A 56 -5.479 0.595 -6.009 1.00 5.31 H new ATOM 0 HD12 ILE A 56 -6.898 -0.248 -6.673 1.00 5.31 H new ATOM 0 HD13 ILE A 56 -7.111 1.014 -5.437 1.00 5.31 H new ATOM 889 N ARG A 57 -8.010 -4.698 -4.788 1.00 3.25 N ATOM 890 CA ARG A 57 -7.758 -5.906 -5.588 1.00 4.24 C ATOM 891 C ARG A 57 -6.770 -5.710 -6.734 1.00 2.00 C ATOM 892 O ARG A 57 -6.004 -6.617 -6.997 1.00 2.00 O ATOM 893 CB ARG A 57 -9.117 -6.439 -6.143 1.00 6.66 C ATOM 894 CG ARG A 57 -8.969 -7.724 -6.942 1.00 10.53 C ATOM 895 CD ARG A 57 -10.273 -8.322 -7.474 1.00 14.34 C ATOM 896 NE ARG A 57 -9.855 -9.521 -8.208 1.00 15.24 N ATOM 897 CZ ARG A 57 -10.647 -10.298 -8.970 1.00 17.74 C ATOM 898 NH1 ARG A 57 -11.959 -10.079 -9.148 1.00 18.93 N ATOM 899 NH2 ARG A 57 -10.063 -11.346 -9.574 1.00 19.11 N ATOM 0 H ARG A 57 -8.991 -4.425 -4.728 1.00 3.25 H new ATOM 0 HA ARG A 57 -7.290 -6.629 -4.920 1.00 4.24 H new ATOM 0 HB2 ARG A 57 -9.800 -6.611 -5.311 1.00 6.66 H new ATOM 0 HB3 ARG A 57 -9.570 -5.675 -6.775 1.00 6.66 H new ATOM 0 HG2 ARG A 57 -8.306 -7.532 -7.786 1.00 10.53 H new ATOM 0 HG3 ARG A 57 -8.478 -8.467 -6.314 1.00 10.53 H new ATOM 0 HD2 ARG A 57 -10.955 -8.572 -6.662 1.00 14.34 H new ATOM 0 HD3 ARG A 57 -10.795 -7.620 -8.125 1.00 14.34 H new ATOM 0 HE ARG A 57 -8.874 -9.791 -8.134 1.00 15.24 H new ATOM 0 HH11 ARG A 57 -12.410 -9.286 -8.692 1.00 18.93 H new ATOM 0 HH12 ARG A 57 -12.505 -10.706 -9.739 1.00 18.93 H new ATOM 0 HH21 ARG A 57 -9.066 -11.520 -9.443 1.00 19.11 H new ATOM 0 HH22 ARG A 57 -10.616 -11.968 -10.163 1.00 19.11 H new ATOM 913 N GLY A 58 -6.690 -4.601 -7.442 1.00 2.00 N ATOM 914 CA GLY A 58 -5.708 -4.427 -8.490 1.00 2.00 C ATOM 915 C GLY A 58 -4.271 -4.377 -7.943 1.00 2.93 C ATOM 916 O GLY A 58 -3.330 -4.661 -8.706 1.00 2.06 O ATOM 0 H GLY A 58 -7.303 -3.797 -7.306 1.00 2.00 H new ATOM 0 HA2 GLY A 58 -5.794 -5.246 -9.204 1.00 2.00 H new ATOM 0 HA3 GLY A 58 -5.920 -3.506 -9.033 1.00 2.00 H new ATOM 920 N TRP A 59 -4.081 -4.017 -6.654 1.00 2.66 N ATOM 921 CA TRP A 59 -2.763 -4.075 -5.988 1.00 2.01 C ATOM 922 C TRP A 59 -2.360 -5.522 -5.654 1.00 4.56 C ATOM 923 O TRP A 59 -1.293 -5.989 -6.108 1.00 3.85 O ATOM 924 CB TRP A 59 -2.776 -3.229 -4.695 1.00 2.42 C ATOM 925 CG TRP A 59 -2.218 -1.834 -4.932 1.00 3.74 C ATOM 926 CD1 TRP A 59 -2.751 -0.972 -5.877 1.00 2.71 C ATOM 927 CD2 TRP A 59 -1.122 -1.287 -4.286 1.00 5.38 C ATOM 928 NE1 TRP A 59 -1.991 0.106 -5.823 1.00 4.59 N ATOM 929 CE2 TRP A 59 -1.016 -0.042 -4.899 1.00 4.49 C ATOM 930 CE3 TRP A 59 -0.236 -1.689 -3.290 1.00 4.69 C ATOM 931 CZ2 TRP A 59 -0.018 0.826 -4.522 1.00 6.46 C ATOM 932 CZ3 TRP A 59 0.756 -0.823 -2.922 1.00 6.70 C ATOM 933 CH2 TRP A 59 0.862 0.415 -3.530 1.00 7.96 C ATOM 0 H TRP A 59 -4.832 -3.681 -6.051 1.00 2.66 H new ATOM 0 HA TRP A 59 -2.028 -3.668 -6.682 1.00 2.01 H new ATOM 0 HB2 TRP A 59 -3.796 -3.154 -4.319 1.00 2.42 H new ATOM 0 HB3 TRP A 59 -2.189 -3.730 -3.926 1.00 2.42 H new ATOM 0 HD1 TRP A 59 -3.603 -1.145 -6.518 1.00 2.71 H new ATOM 0 HE1 TRP A 59 -2.122 0.937 -6.400 1.00 4.59 H new ATOM 0 HE3 TRP A 59 -0.330 -2.658 -2.821 1.00 4.69 H new ATOM 0 HZ2 TRP A 59 0.078 1.798 -4.984 1.00 6.46 H new ATOM 0 HZ3 TRP A 59 1.460 -1.107 -2.153 1.00 6.70 H new ATOM 0 HH2 TRP A 59 1.654 1.082 -3.224 1.00 7.96 H new ATOM 944 N GLU A 60 -3.191 -6.295 -4.928 1.00 5.21 N ATOM 945 CA GLU A 60 -2.951 -7.730 -4.668 1.00 6.47 C ATOM 946 C GLU A 60 -2.538 -8.472 -5.946 1.00 6.41 C ATOM 947 O GLU A 60 -1.632 -9.328 -5.994 1.00 4.95 O ATOM 948 CB GLU A 60 -4.219 -8.469 -4.171 1.00 8.59 C ATOM 949 CG GLU A 60 -4.945 -7.953 -2.925 1.00 12.19 C ATOM 950 CD GLU A 60 -4.394 -8.401 -1.566 1.00 14.08 C ATOM 951 OE1 GLU A 60 -3.188 -8.317 -1.356 1.00 15.05 O ATOM 952 OE2 GLU A 60 -5.170 -8.816 -0.706 1.00 12.54 O ATOM 0 H GLU A 60 -4.049 -5.942 -4.504 1.00 5.21 H new ATOM 0 HA GLU A 60 -2.167 -7.741 -3.910 1.00 6.47 H new ATOM 0 HB2 GLU A 60 -4.938 -8.475 -4.991 1.00 8.59 H new ATOM 0 HB3 GLU A 60 -3.942 -9.506 -3.983 1.00 8.59 H new ATOM 0 HG2 GLU A 60 -4.934 -6.863 -2.953 1.00 12.19 H new ATOM 0 HG3 GLU A 60 -5.988 -8.263 -2.987 1.00 12.19 H new ATOM 959 N GLU A 61 -3.266 -8.167 -7.024 1.00 5.65 N ATOM 960 CA GLU A 61 -3.001 -8.783 -8.317 1.00 6.52 C ATOM 961 C GLU A 61 -1.822 -8.194 -9.049 1.00 5.27 C ATOM 962 O GLU A 61 -1.077 -8.927 -9.710 1.00 3.77 O ATOM 963 CB GLU A 61 -4.230 -8.653 -9.207 1.00 9.22 C ATOM 964 CG GLU A 61 -5.481 -9.267 -8.558 1.00 14.36 C ATOM 965 CD GLU A 61 -5.976 -10.545 -9.225 1.00 19.08 C ATOM 966 OE1 GLU A 61 -5.368 -11.588 -8.990 1.00 20.27 O ATOM 967 OE2 GLU A 61 -6.937 -10.475 -9.999 1.00 17.50 O ATOM 0 H GLU A 61 -4.038 -7.501 -7.023 1.00 5.65 H new ATOM 0 HA GLU A 61 -2.761 -9.825 -8.106 1.00 6.52 H new ATOM 0 HB2 GLU A 61 -4.413 -7.600 -9.421 1.00 9.22 H new ATOM 0 HB3 GLU A 61 -4.039 -9.143 -10.162 1.00 9.22 H new ATOM 0 HG2 GLU A 61 -5.265 -9.479 -7.511 1.00 14.36 H new ATOM 0 HG3 GLU A 61 -6.283 -8.529 -8.575 1.00 14.36 H new ATOM 974 N GLY A 62 -1.584 -6.889 -8.939 1.00 2.00 N ATOM 975 CA GLY A 62 -0.532 -6.298 -9.711 1.00 2.02 C ATOM 976 C GLY A 62 0.839 -6.411 -9.096 1.00 2.26 C ATOM 977 O GLY A 62 1.839 -6.750 -9.757 1.00 4.04 O ATOM 0 H GLY A 62 -2.099 -6.248 -8.335 1.00 2.00 H new ATOM 0 HA2 GLY A 62 -0.514 -6.767 -10.695 1.00 2.02 H new ATOM 0 HA3 GLY A 62 -0.761 -5.243 -9.865 1.00 2.02 H new ATOM 981 N VAL A 63 0.931 -6.124 -7.813 1.00 2.35 N ATOM 982 CA VAL A 63 2.206 -6.201 -7.169 1.00 3.82 C ATOM 983 C VAL A 63 2.668 -7.679 -7.114 1.00 3.38 C ATOM 984 O VAL A 63 3.871 -7.958 -7.191 1.00 2.43 O ATOM 985 CB VAL A 63 2.075 -5.507 -5.773 1.00 3.21 C ATOM 986 CG1 VAL A 63 3.411 -5.648 -5.052 1.00 2.73 C ATOM 987 CG2 VAL A 63 1.856 -3.970 -5.902 1.00 5.35 C ATOM 0 H VAL A 63 0.153 -5.843 -7.216 1.00 2.35 H new ATOM 0 HA VAL A 63 2.986 -5.675 -7.719 1.00 3.82 H new ATOM 0 HB VAL A 63 1.234 -5.970 -5.257 1.00 3.21 H new ATOM 0 HG11 VAL A 63 3.348 -5.172 -4.073 1.00 2.73 H new ATOM 0 HG12 VAL A 63 3.647 -6.705 -4.927 1.00 2.73 H new ATOM 0 HG13 VAL A 63 4.194 -5.168 -5.639 1.00 2.73 H new ATOM 0 HG21 VAL A 63 1.771 -3.530 -4.908 1.00 5.35 H new ATOM 0 HG22 VAL A 63 2.702 -3.524 -6.425 1.00 5.35 H new ATOM 0 HG23 VAL A 63 0.942 -3.779 -6.463 1.00 5.35 H new ATOM 997 N ALA A 64 1.779 -8.681 -7.099 1.00 2.32 N ATOM 998 CA ALA A 64 2.202 -10.070 -7.126 1.00 2.00 C ATOM 999 C ALA A 64 2.927 -10.431 -8.419 1.00 2.06 C ATOM 1000 O ALA A 64 3.703 -11.383 -8.469 1.00 3.03 O ATOM 1001 CB ALA A 64 1.030 -11.003 -7.001 1.00 2.22 C ATOM 0 H ALA A 64 0.768 -8.547 -7.068 1.00 2.32 H new ATOM 0 HA ALA A 64 2.879 -10.183 -6.279 1.00 2.00 H new ATOM 0 HB1 ALA A 64 1.382 -12.034 -7.025 1.00 2.22 H new ATOM 0 HB2 ALA A 64 0.516 -10.817 -6.058 1.00 2.22 H new ATOM 0 HB3 ALA A 64 0.342 -10.835 -7.829 1.00 2.22 H new ATOM 1007 N GLN A 65 2.741 -9.613 -9.464 1.00 2.11 N ATOM 1008 CA GLN A 65 3.439 -9.785 -10.716 1.00 2.06 C ATOM 1009 C GLN A 65 4.800 -9.151 -10.723 1.00 2.00 C ATOM 1010 O GLN A 65 5.474 -9.231 -11.735 1.00 2.00 O ATOM 1011 CB GLN A 65 2.626 -9.192 -11.851 1.00 2.23 C ATOM 1012 CG GLN A 65 1.440 -10.138 -12.154 1.00 2.09 C ATOM 1013 CD GLN A 65 0.506 -9.514 -13.192 1.00 3.49 C ATOM 1014 OE1 GLN A 65 0.827 -9.433 -14.367 1.00 3.09 O ATOM 1015 NE2 GLN A 65 -0.638 -8.991 -12.810 1.00 2.33 N ATOM 0 H GLN A 65 2.101 -8.819 -9.451 1.00 2.11 H new ATOM 0 HA GLN A 65 3.569 -10.859 -10.848 1.00 2.06 H new ATOM 0 HB2 GLN A 65 2.260 -8.202 -11.578 1.00 2.23 H new ATOM 0 HB3 GLN A 65 3.248 -9.069 -12.738 1.00 2.23 H new ATOM 0 HG2 GLN A 65 1.814 -11.093 -12.521 1.00 2.09 H new ATOM 0 HG3 GLN A 65 0.888 -10.343 -11.237 1.00 2.09 H new ATOM 0 HE21 GLN A 65 -0.924 -9.048 -11.833 1.00 2.33 H new ATOM 0 HE22 GLN A 65 -1.240 -8.528 -13.491 1.00 2.33 H new ATOM 1024 N MET A 66 5.258 -8.519 -9.654 1.00 2.34 N ATOM 1025 CA MET A 66 6.486 -7.751 -9.689 1.00 2.31 C ATOM 1026 C MET A 66 7.563 -8.487 -8.926 1.00 2.15 C ATOM 1027 O MET A 66 7.274 -9.139 -7.933 1.00 2.00 O ATOM 1028 CB MET A 66 6.300 -6.400 -9.048 1.00 2.00 C ATOM 1029 CG MET A 66 5.240 -5.575 -9.782 1.00 2.45 C ATOM 1030 SD MET A 66 4.867 -3.980 -8.998 1.00 3.75 S ATOM 1031 CE MET A 66 6.489 -3.216 -9.148 1.00 2.08 C ATOM 0 H MET A 66 4.792 -8.525 -8.747 1.00 2.34 H new ATOM 0 HA MET A 66 6.769 -7.619 -10.733 1.00 2.31 H new ATOM 0 HB2 MET A 66 6.007 -6.527 -8.006 1.00 2.00 H new ATOM 0 HB3 MET A 66 7.248 -5.861 -9.049 1.00 2.00 H new ATOM 0 HG2 MET A 66 5.577 -5.396 -10.803 1.00 2.45 H new ATOM 0 HG3 MET A 66 4.322 -6.159 -9.848 1.00 2.45 H new ATOM 0 HE1 MET A 66 6.373 -2.165 -9.412 1.00 2.08 H new ATOM 0 HE2 MET A 66 7.018 -3.296 -8.198 1.00 2.08 H new ATOM 0 HE3 MET A 66 7.060 -3.724 -9.925 1.00 2.08 H new ATOM 1041 N SER A 67 8.803 -8.419 -9.416 1.00 2.30 N ATOM 1042 CA SER A 67 9.966 -8.964 -8.742 1.00 2.08 C ATOM 1043 C SER A 67 10.647 -7.874 -7.919 1.00 2.00 C ATOM 1044 O SER A 67 10.527 -6.698 -8.276 1.00 2.00 O ATOM 1045 CB SER A 67 10.914 -9.512 -9.777 1.00 2.00 C ATOM 1046 OG SER A 67 11.177 -8.682 -10.900 1.00 2.05 O ATOM 0 H SER A 67 9.022 -7.975 -10.308 1.00 2.30 H new ATOM 0 HA SER A 67 9.664 -9.765 -8.067 1.00 2.08 H new ATOM 0 HB2 SER A 67 11.862 -9.734 -9.287 1.00 2.00 H new ATOM 0 HB3 SER A 67 10.513 -10.459 -10.139 1.00 2.00 H new ATOM 0 HG SER A 67 11.214 -9.231 -11.711 1.00 2.05 H new ATOM 1052 N VAL A 68 11.383 -8.201 -6.870 1.00 2.00 N ATOM 1053 CA VAL A 68 12.050 -7.203 -6.057 1.00 2.47 C ATOM 1054 C VAL A 68 12.979 -6.370 -6.923 1.00 2.15 C ATOM 1055 O VAL A 68 13.735 -6.889 -7.757 1.00 2.01 O ATOM 1056 CB VAL A 68 12.836 -7.901 -4.911 1.00 2.10 C ATOM 1057 CG1 VAL A 68 13.654 -6.893 -4.088 1.00 2.14 C ATOM 1058 CG2 VAL A 68 11.835 -8.650 -4.089 1.00 2.00 C ATOM 0 H VAL A 68 11.533 -9.161 -6.561 1.00 2.00 H new ATOM 0 HA VAL A 68 11.309 -6.539 -5.613 1.00 2.47 H new ATOM 0 HB VAL A 68 13.575 -8.596 -5.311 1.00 2.10 H new ATOM 0 HG11 VAL A 68 14.189 -7.418 -3.297 1.00 2.14 H new ATOM 0 HG12 VAL A 68 14.370 -6.389 -4.737 1.00 2.14 H new ATOM 0 HG13 VAL A 68 12.984 -6.156 -3.645 1.00 2.14 H new ATOM 0 HG21 VAL A 68 12.344 -9.158 -3.270 1.00 2.00 H new ATOM 0 HG22 VAL A 68 11.102 -7.953 -3.684 1.00 2.00 H new ATOM 0 HG23 VAL A 68 11.329 -9.386 -4.714 1.00 2.00 H new ATOM 1068 N GLY A 69 12.820 -5.062 -6.759 1.00 2.40 N ATOM 1069 CA GLY A 69 13.585 -4.058 -7.456 1.00 2.09 C ATOM 1070 C GLY A 69 12.806 -3.384 -8.577 1.00 2.24 C ATOM 1071 O GLY A 69 13.249 -2.348 -9.097 1.00 2.61 O ATOM 0 H GLY A 69 12.133 -4.668 -6.116 1.00 2.40 H new ATOM 0 HA2 GLY A 69 13.914 -3.301 -6.744 1.00 2.09 H new ATOM 0 HA3 GLY A 69 14.483 -4.517 -7.870 1.00 2.09 H new ATOM 1075 N GLN A 70 11.647 -3.948 -8.956 1.00 2.82 N ATOM 1076 CA GLN A 70 10.967 -3.473 -10.116 1.00 2.29 C ATOM 1077 C GLN A 70 10.095 -2.288 -9.828 1.00 2.00 C ATOM 1078 O GLN A 70 9.586 -2.111 -8.729 1.00 2.00 O ATOM 1079 CB GLN A 70 10.183 -4.612 -10.671 1.00 4.50 C ATOM 1080 CG GLN A 70 9.685 -4.383 -12.081 1.00 5.27 C ATOM 1081 CD GLN A 70 8.741 -5.488 -12.579 1.00 4.45 C ATOM 1082 OE1 GLN A 70 8.714 -6.648 -11.950 1.00 6.53 O flip ATOM 1083 NE2 GLN A 70 8.034 -5.348 -13.583 1.00 2.24 N flip ATOM 0 H GLN A 70 11.188 -4.718 -8.469 1.00 2.82 H new ATOM 0 HA GLN A 70 11.695 -3.119 -10.846 1.00 2.29 H new ATOM 0 HB2 GLN A 70 10.803 -5.509 -10.656 1.00 4.50 H new ATOM 0 HB3 GLN A 70 9.329 -4.804 -10.021 1.00 4.50 H new ATOM 0 HG2 GLN A 70 9.167 -3.425 -12.125 1.00 5.27 H new ATOM 0 HG3 GLN A 70 10.540 -4.314 -12.754 1.00 5.27 H new ATOM 0 HE21 GLN A 70 8.036 -4.462 -14.088 1.00 2.24 H new ATOM 0 HE22 GLN A 70 7.449 -6.118 -13.906 1.00 2.24 H new ATOM 1092 N ARG A 71 10.051 -1.409 -10.820 1.00 4.23 N ATOM 1093 CA ARG A 71 9.249 -0.185 -10.771 1.00 3.45 C ATOM 1094 C ARG A 71 8.383 -0.308 -12.009 1.00 2.00 C ATOM 1095 O ARG A 71 8.893 -0.623 -13.093 1.00 2.00 O ATOM 1096 CB ARG A 71 10.127 1.060 -10.842 1.00 2.11 C ATOM 1097 CG ARG A 71 9.240 2.332 -10.797 1.00 5.11 C ATOM 1098 CD ARG A 71 10.070 3.485 -10.258 1.00 8.54 C ATOM 1099 NE ARG A 71 9.326 4.729 -10.396 1.00 9.92 N ATOM 1100 CZ ARG A 71 9.836 5.896 -10.019 1.00 11.22 C ATOM 1101 NH1 ARG A 71 11.080 6.002 -9.484 1.00 12.09 N ATOM 1102 NH2 ARG A 71 9.071 6.975 -10.169 1.00 12.36 N ATOM 0 H ARG A 71 10.573 -1.522 -11.689 1.00 4.23 H new ATOM 0 HA ARG A 71 8.680 -0.081 -9.847 1.00 3.45 H new ATOM 0 HB2 ARG A 71 10.831 1.067 -10.010 1.00 2.11 H new ATOM 0 HB3 ARG A 71 10.716 1.049 -11.759 1.00 2.11 H new ATOM 0 HG2 ARG A 71 8.867 2.568 -11.794 1.00 5.11 H new ATOM 0 HG3 ARG A 71 8.370 2.164 -10.163 1.00 5.11 H new ATOM 0 HD2 ARG A 71 10.316 3.311 -9.210 1.00 8.54 H new ATOM 0 HD3 ARG A 71 11.013 3.552 -10.800 1.00 8.54 H new ATOM 0 HE ARG A 71 8.387 4.704 -10.793 1.00 9.92 H new ATOM 0 HH11 ARG A 71 11.655 5.168 -9.361 1.00 12.09 H new ATOM 0 HH12 ARG A 71 11.439 6.915 -9.206 1.00 12.09 H new ATOM 0 HH21 ARG A 71 8.133 6.885 -10.560 1.00 12.36 H new ATOM 0 HH22 ARG A 71 9.422 7.892 -9.893 1.00 12.36 H new ATOM 1116 N ALA A 72 7.077 -0.236 -11.737 1.00 2.87 N ATOM 1117 CA ALA A 72 6.049 -0.393 -12.750 1.00 2.85 C ATOM 1118 C ALA A 72 4.836 0.517 -12.561 1.00 3.85 C ATOM 1119 O ALA A 72 4.568 1.052 -11.471 1.00 5.84 O ATOM 1120 CB ALA A 72 5.551 -1.829 -12.776 1.00 2.19 C ATOM 0 H ALA A 72 6.709 -0.066 -10.801 1.00 2.87 H new ATOM 0 HA ALA A 72 6.530 -0.112 -13.687 1.00 2.85 H new ATOM 0 HB1 ALA A 72 4.780 -1.933 -13.540 1.00 2.19 H new ATOM 0 HB2 ALA A 72 6.381 -2.498 -13.004 1.00 2.19 H new ATOM 0 HB3 ALA A 72 5.134 -2.087 -11.803 1.00 2.19 H new ATOM 1126 N LYS A 73 4.127 0.766 -13.650 1.00 5.73 N ATOM 1127 CA LYS A 73 2.885 1.515 -13.651 1.00 4.79 C ATOM 1128 C LYS A 73 1.723 0.532 -13.734 1.00 5.06 C ATOM 1129 O LYS A 73 1.591 -0.288 -14.643 1.00 4.43 O ATOM 1130 CB LYS A 73 2.940 2.434 -14.836 1.00 7.22 C ATOM 1131 CG LYS A 73 1.770 3.386 -15.019 1.00 9.20 C ATOM 1132 CD LYS A 73 1.996 3.828 -16.439 1.00 11.07 C ATOM 1133 CE LYS A 73 0.968 4.802 -16.943 1.00 14.75 C ATOM 1134 NZ LYS A 73 1.064 4.917 -18.411 1.00 16.57 N ATOM 0 H LYS A 73 4.407 0.445 -14.577 1.00 5.73 H new ATOM 0 HA LYS A 73 2.745 2.105 -12.745 1.00 4.79 H new ATOM 0 HB2 LYS A 73 3.852 3.026 -14.764 1.00 7.22 H new ATOM 0 HB3 LYS A 73 3.026 1.824 -15.735 1.00 7.22 H new ATOM 0 HG2 LYS A 73 0.808 2.891 -14.887 1.00 9.20 H new ATOM 0 HG3 LYS A 73 1.799 4.219 -14.316 1.00 9.20 H new ATOM 0 HD2 LYS A 73 2.983 4.284 -16.515 1.00 11.07 H new ATOM 0 HD3 LYS A 73 2.000 2.951 -17.086 1.00 11.07 H new ATOM 0 HE2 LYS A 73 -0.031 4.469 -16.660 1.00 14.75 H new ATOM 0 HE3 LYS A 73 1.122 5.778 -16.482 1.00 14.75 H new ATOM 0 HZ1 LYS A 73 0.259 5.469 -18.769 1.00 16.57 H new ATOM 0 HZ2 LYS A 73 1.952 5.395 -18.664 1.00 16.57 H new ATOM 0 HZ3 LYS A 73 1.049 3.968 -18.835 1.00 16.57 H new ATOM 1148 N LEU A 74 0.820 0.566 -12.770 1.00 5.22 N ATOM 1149 CA LEU A 74 -0.289 -0.350 -12.688 1.00 4.39 C ATOM 1150 C LEU A 74 -1.529 0.429 -13.088 1.00 3.32 C ATOM 1151 O LEU A 74 -1.838 1.412 -12.400 1.00 4.92 O ATOM 1152 CB LEU A 74 -0.304 -0.843 -11.231 1.00 5.27 C ATOM 1153 CG LEU A 74 0.317 -2.217 -10.814 1.00 5.86 C ATOM 1154 CD1 LEU A 74 1.592 -2.534 -11.595 1.00 2.84 C ATOM 1155 CD2 LEU A 74 0.474 -2.171 -9.299 1.00 5.61 C ATOM 0 H LEU A 74 0.843 1.247 -12.011 1.00 5.22 H new ATOM 0 HA LEU A 74 -0.229 -1.218 -13.345 1.00 4.39 H new ATOM 0 HB2 LEU A 74 0.195 -0.079 -10.636 1.00 5.27 H new ATOM 0 HB3 LEU A 74 -1.347 -0.861 -10.916 1.00 5.27 H new ATOM 0 HG LEU A 74 -0.329 -3.056 -11.073 1.00 5.86 H new ATOM 0 HD11 LEU A 74 1.987 -3.497 -11.271 1.00 2.84 H new ATOM 0 HD12 LEU A 74 1.366 -2.574 -12.660 1.00 2.84 H new ATOM 0 HD13 LEU A 74 2.334 -1.757 -11.411 1.00 2.84 H new ATOM 0 HD21 LEU A 74 0.905 -3.109 -8.949 1.00 5.61 H new ATOM 0 HD22 LEU A 74 1.131 -1.345 -9.026 1.00 5.61 H new ATOM 0 HD23 LEU A 74 -0.502 -2.026 -8.836 1.00 5.61 H new ATOM 1167 N THR A 75 -2.210 0.127 -14.194 1.00 2.21 N ATOM 1168 CA THR A 75 -3.464 0.826 -14.542 1.00 3.18 C ATOM 1169 C THR A 75 -4.605 -0.104 -14.083 1.00 5.53 C ATOM 1170 O THR A 75 -4.666 -1.261 -14.544 1.00 2.15 O ATOM 1171 CB THR A 75 -3.474 1.062 -16.067 1.00 4.54 C ATOM 1172 OG1 THR A 75 -2.307 1.822 -16.330 1.00 5.76 O ATOM 1173 CG2 THR A 75 -4.714 1.764 -16.571 1.00 3.49 C ATOM 0 H THR A 75 -1.925 -0.588 -14.863 1.00 2.21 H new ATOM 0 HA THR A 75 -3.572 1.799 -14.063 1.00 3.18 H new ATOM 0 HB THR A 75 -3.485 0.108 -16.595 1.00 4.54 H new ATOM 0 HG1 THR A 75 -1.561 1.218 -16.526 1.00 5.76 H new ATOM 0 HG21 THR A 75 -4.645 1.893 -17.651 1.00 3.49 H new ATOM 0 HG22 THR A 75 -5.593 1.166 -16.332 1.00 3.49 H new ATOM 0 HG23 THR A 75 -4.799 2.740 -16.094 1.00 3.49 H new ATOM 1181 N ILE A 76 -5.469 0.372 -13.182 1.00 2.00 N ATOM 1182 CA ILE A 76 -6.421 -0.456 -12.476 1.00 2.17 C ATOM 1183 C ILE A 76 -7.836 0.038 -12.802 1.00 2.90 C ATOM 1184 O ILE A 76 -8.145 1.229 -12.600 1.00 3.36 O ATOM 1185 CB ILE A 76 -6.164 -0.335 -10.950 1.00 2.04 C ATOM 1186 CG1 ILE A 76 -4.703 -0.652 -10.650 1.00 2.00 C ATOM 1187 CG2 ILE A 76 -7.156 -1.190 -10.183 1.00 2.00 C ATOM 1188 CD1 ILE A 76 -4.298 -0.515 -9.187 1.00 2.00 C ATOM 0 H ILE A 76 -5.519 1.358 -12.927 1.00 2.00 H new ATOM 0 HA ILE A 76 -6.315 -1.498 -12.778 1.00 2.17 H new ATOM 0 HB ILE A 76 -6.331 0.688 -10.612 1.00 2.04 H new ATOM 0 HG12 ILE A 76 -4.495 -1.672 -10.974 1.00 2.00 H new ATOM 0 HG13 ILE A 76 -4.074 0.008 -11.248 1.00 2.00 H new ATOM 0 HG21 ILE A 76 -6.966 -1.097 -9.114 1.00 2.00 H new ATOM 0 HG22 ILE A 76 -8.170 -0.856 -10.402 1.00 2.00 H new ATOM 0 HG23 ILE A 76 -7.045 -2.232 -10.482 1.00 2.00 H new ATOM 0 HD11 ILE A 76 -3.242 -0.762 -9.077 1.00 2.00 H new ATOM 0 HD12 ILE A 76 -4.468 0.510 -8.857 1.00 2.00 H new ATOM 0 HD13 ILE A 76 -4.895 -1.195 -8.579 1.00 2.00 H new ATOM 1200 N SER A 77 -8.672 -0.860 -13.340 1.00 2.00 N ATOM 1201 CA SER A 77 -10.055 -0.537 -13.644 1.00 2.58 C ATOM 1202 C SER A 77 -10.842 -0.273 -12.364 1.00 3.63 C ATOM 1203 O SER A 77 -10.537 -0.926 -11.351 1.00 2.11 O ATOM 1204 CB SER A 77 -10.728 -1.700 -14.393 1.00 2.42 C ATOM 1205 OG SER A 77 -10.818 -2.945 -13.674 1.00 4.94 O ATOM 0 H SER A 77 -8.405 -1.817 -13.571 1.00 2.00 H new ATOM 0 HA SER A 77 -10.054 0.357 -14.267 1.00 2.58 H new ATOM 0 HB2 SER A 77 -11.735 -1.391 -14.673 1.00 2.42 H new ATOM 0 HB3 SER A 77 -10.179 -1.876 -15.318 1.00 2.42 H new ATOM 0 HG SER A 77 -11.752 -3.117 -13.433 1.00 4.94 H new ATOM 1211 N PRO A 78 -11.934 0.512 -12.351 1.00 2.00 N ATOM 1212 CA PRO A 78 -12.679 0.816 -11.150 1.00 2.12 C ATOM 1213 C PRO A 78 -13.163 -0.389 -10.386 1.00 2.38 C ATOM 1214 O PRO A 78 -13.131 -0.363 -9.153 1.00 6.21 O ATOM 1215 CB PRO A 78 -13.835 1.744 -11.589 1.00 2.04 C ATOM 1216 CG PRO A 78 -13.790 1.754 -13.109 1.00 2.00 C ATOM 1217 CD PRO A 78 -12.374 1.344 -13.471 1.00 2.04 C ATOM 0 HA PRO A 78 -12.022 1.302 -10.429 1.00 2.12 H new ATOM 0 HB2 PRO A 78 -14.794 1.375 -11.227 1.00 2.04 H new ATOM 0 HB3 PRO A 78 -13.707 2.748 -11.186 1.00 2.04 H new ATOM 0 HG2 PRO A 78 -14.519 1.061 -13.529 1.00 2.00 H new ATOM 0 HG3 PRO A 78 -14.026 2.743 -13.503 1.00 2.00 H new ATOM 0 HD2 PRO A 78 -12.349 0.791 -14.410 1.00 2.04 H new ATOM 0 HD3 PRO A 78 -11.729 2.214 -13.596 1.00 2.04 H new ATOM 1225 N ASP A 79 -13.536 -1.467 -11.076 1.00 4.75 N ATOM 1226 CA ASP A 79 -14.028 -2.642 -10.390 1.00 5.91 C ATOM 1227 C ASP A 79 -12.956 -3.392 -9.611 1.00 6.52 C ATOM 1228 O ASP A 79 -13.280 -4.281 -8.824 1.00 5.97 O ATOM 1229 CB ASP A 79 -14.713 -3.596 -11.416 1.00 8.82 C ATOM 1230 CG ASP A 79 -13.870 -4.223 -12.510 1.00 12.39 C ATOM 1231 OD1 ASP A 79 -13.445 -3.515 -13.420 1.00 14.22 O ATOM 1232 OD2 ASP A 79 -13.644 -5.438 -12.468 1.00 15.85 O ATOM 0 H ASP A 79 -13.505 -1.543 -12.093 1.00 4.75 H new ATOM 0 HA ASP A 79 -14.749 -2.294 -9.650 1.00 5.91 H new ATOM 0 HB2 ASP A 79 -15.178 -4.406 -10.854 1.00 8.82 H new ATOM 0 HB3 ASP A 79 -15.517 -3.039 -11.898 1.00 8.82 H new ATOM 1237 N TYR A 80 -11.684 -3.051 -9.891 1.00 5.54 N ATOM 1238 CA TYR A 80 -10.496 -3.557 -9.223 1.00 5.25 C ATOM 1239 C TYR A 80 -9.923 -2.544 -8.259 1.00 3.95 C ATOM 1240 O TYR A 80 -8.805 -2.670 -7.753 1.00 2.27 O ATOM 1241 CB TYR A 80 -9.458 -3.858 -10.234 1.00 5.38 C ATOM 1242 CG TYR A 80 -9.613 -5.252 -10.728 1.00 9.01 C ATOM 1243 CD1 TYR A 80 -10.725 -5.617 -11.448 1.00 9.02 C ATOM 1244 CD2 TYR A 80 -8.602 -6.139 -10.449 1.00 9.72 C ATOM 1245 CE1 TYR A 80 -10.834 -6.899 -11.913 1.00 11.03 C ATOM 1246 CE2 TYR A 80 -8.701 -7.432 -10.905 1.00 10.74 C ATOM 1247 CZ TYR A 80 -9.817 -7.801 -11.641 1.00 11.52 C ATOM 1248 OH TYR A 80 -9.867 -9.082 -12.160 1.00 10.51 O ATOM 0 H TYR A 80 -11.459 -2.382 -10.627 1.00 5.54 H new ATOM 0 HA TYR A 80 -10.785 -4.451 -8.670 1.00 5.25 H new ATOM 0 HB2 TYR A 80 -9.537 -3.158 -11.066 1.00 5.38 H new ATOM 0 HB3 TYR A 80 -8.467 -3.726 -9.799 1.00 5.38 H new ATOM 0 HD1 TYR A 80 -11.506 -4.898 -11.645 1.00 9.02 H new ATOM 0 HD2 TYR A 80 -7.740 -5.825 -9.879 1.00 9.72 H new ATOM 0 HE1 TYR A 80 -11.699 -7.204 -12.483 1.00 11.03 H new ATOM 0 HE2 TYR A 80 -7.922 -8.149 -10.693 1.00 10.74 H new ATOM 0 HH TYR A 80 -9.075 -9.583 -11.873 1.00 10.51 H new ATOM 1258 N ALA A 81 -10.669 -1.496 -7.998 1.00 3.70 N ATOM 1259 CA ALA A 81 -10.221 -0.412 -7.141 1.00 2.09 C ATOM 1260 C ALA A 81 -11.414 -0.056 -6.268 1.00 2.54 C ATOM 1261 O ALA A 81 -11.864 -0.950 -5.551 1.00 2.00 O ATOM 1262 CB ALA A 81 -9.763 0.736 -8.048 1.00 2.00 C ATOM 0 H ALA A 81 -11.608 -1.366 -8.374 1.00 3.70 H new ATOM 0 HA ALA A 81 -9.378 -0.663 -6.497 1.00 2.09 H new ATOM 0 HB1 ALA A 81 -9.419 1.569 -7.435 1.00 2.00 H new ATOM 0 HB2 ALA A 81 -8.948 0.393 -8.685 1.00 2.00 H new ATOM 0 HB3 ALA A 81 -10.596 1.063 -8.670 1.00 2.00 H new ATOM 1268 N TYR A 82 -12.009 1.158 -6.326 1.00 3.23 N ATOM 1269 CA TYR A 82 -13.074 1.619 -5.426 1.00 2.24 C ATOM 1270 C TYR A 82 -14.507 1.597 -6.022 1.00 3.91 C ATOM 1271 O TYR A 82 -15.496 2.029 -5.394 1.00 3.42 O ATOM 1272 CB TYR A 82 -12.670 3.031 -4.979 1.00 3.55 C ATOM 1273 CG TYR A 82 -11.401 3.033 -4.152 1.00 2.13 C ATOM 1274 CD1 TYR A 82 -11.393 2.502 -2.855 1.00 3.05 C ATOM 1275 CD2 TYR A 82 -10.230 3.522 -4.715 1.00 3.38 C ATOM 1276 CE1 TYR A 82 -10.218 2.446 -2.124 1.00 3.83 C ATOM 1277 CE2 TYR A 82 -9.059 3.465 -3.991 1.00 3.32 C ATOM 1278 CZ TYR A 82 -9.060 2.934 -2.712 1.00 2.65 C ATOM 1279 OH TYR A 82 -7.863 2.885 -2.029 1.00 6.84 O ATOM 0 H TYR A 82 -11.749 1.858 -7.021 1.00 3.23 H new ATOM 0 HA TYR A 82 -13.151 0.920 -4.593 1.00 2.24 H new ATOM 0 HB2 TYR A 82 -12.529 3.661 -5.857 1.00 3.55 H new ATOM 0 HB3 TYR A 82 -13.480 3.471 -4.398 1.00 3.55 H new ATOM 0 HD1 TYR A 82 -12.311 2.133 -2.422 1.00 3.05 H new ATOM 0 HD2 TYR A 82 -10.237 3.943 -5.710 1.00 3.38 H new ATOM 0 HE1 TYR A 82 -10.204 2.035 -1.126 1.00 3.83 H new ATOM 0 HE2 TYR A 82 -8.140 3.835 -4.421 1.00 3.32 H new ATOM 0 HH TYR A 82 -7.127 3.085 -2.644 1.00 6.84 H new ATOM 1289 N GLY A 83 -14.627 1.075 -7.266 1.00 2.04 N ATOM 1290 CA GLY A 83 -15.890 0.821 -7.906 1.00 3.96 C ATOM 1291 C GLY A 83 -16.707 2.086 -8.016 1.00 5.99 C ATOM 1292 O GLY A 83 -16.251 3.163 -8.404 1.00 2.62 O ATOM 0 H GLY A 83 -13.823 0.823 -7.841 1.00 2.04 H new ATOM 0 HA2 GLY A 83 -15.721 0.406 -8.900 1.00 3.96 H new ATOM 0 HA3 GLY A 83 -16.445 0.074 -7.339 1.00 3.96 H new ATOM 1296 N ALA A 84 -17.977 1.875 -7.712 1.00 7.64 N ATOM 1297 CA ALA A 84 -18.940 2.958 -7.785 1.00 8.23 C ATOM 1298 C ALA A 84 -18.896 3.812 -6.531 1.00 9.75 C ATOM 1299 O ALA A 84 -19.363 4.941 -6.608 1.00 10.11 O ATOM 1300 CB ALA A 84 -20.323 2.382 -7.960 1.00 9.35 C ATOM 0 H ALA A 84 -18.360 0.977 -7.417 1.00 7.64 H new ATOM 0 HA ALA A 84 -18.689 3.591 -8.636 1.00 8.23 H new ATOM 0 HB1 ALA A 84 -21.050 3.192 -8.015 1.00 9.35 H new ATOM 0 HB2 ALA A 84 -20.360 1.798 -8.879 1.00 9.35 H new ATOM 0 HB3 ALA A 84 -20.560 1.739 -7.112 1.00 9.35 H new ATOM 1306 N THR A 85 -18.345 3.350 -5.398 1.00 10.35 N ATOM 1307 CA THR A 85 -18.237 4.235 -4.249 1.00 11.80 C ATOM 1308 C THR A 85 -17.172 5.307 -4.435 1.00 11.44 C ATOM 1309 O THR A 85 -17.348 6.490 -4.092 1.00 13.50 O ATOM 1310 CB THR A 85 -17.897 3.399 -3.012 1.00 12.18 C ATOM 1311 OG1 THR A 85 -18.701 2.247 -3.043 1.00 13.76 O ATOM 1312 CG2 THR A 85 -18.202 4.119 -1.728 1.00 12.85 C ATOM 0 H THR A 85 -17.983 2.406 -5.262 1.00 10.35 H new ATOM 0 HA THR A 85 -19.194 4.744 -4.131 1.00 11.80 H new ATOM 0 HB THR A 85 -16.830 3.179 -3.038 1.00 12.18 H new ATOM 0 HG1 THR A 85 -18.504 1.689 -2.262 1.00 13.76 H new ATOM 0 HG21 THR A 85 -17.942 3.482 -0.883 1.00 12.85 H new ATOM 0 HG22 THR A 85 -17.621 5.040 -1.680 1.00 12.85 H new ATOM 0 HG23 THR A 85 -19.265 4.358 -1.689 1.00 12.85 H new ATOM 1320 N GLY A 86 -16.007 4.906 -4.952 1.00 9.98 N ATOM 1321 CA GLY A 86 -14.884 5.840 -4.957 1.00 8.62 C ATOM 1322 C GLY A 86 -14.371 5.955 -3.519 1.00 5.63 C ATOM 1323 O GLY A 86 -14.708 5.156 -2.643 1.00 6.65 O ATOM 0 H GLY A 86 -15.822 3.987 -5.354 1.00 9.98 H new ATOM 0 HA2 GLY A 86 -14.094 5.485 -5.618 1.00 8.62 H new ATOM 0 HA3 GLY A 86 -15.198 6.815 -5.331 1.00 8.62 H new ATOM 1327 N HIS A 87 -13.497 6.894 -3.202 1.00 6.67 N ATOM 1328 CA HIS A 87 -13.028 7.006 -1.826 1.00 8.71 C ATOM 1329 C HIS A 87 -13.473 8.392 -1.423 1.00 5.88 C ATOM 1330 O HIS A 87 -12.933 9.341 -2.024 1.00 6.76 O ATOM 1331 CB HIS A 87 -11.513 6.916 -1.744 1.00 10.42 C ATOM 1332 CG HIS A 87 -10.996 6.847 -0.308 1.00 14.33 C ATOM 1333 ND1 HIS A 87 -10.786 7.840 0.576 1.00 15.88 N ATOM 1334 CD2 HIS A 87 -10.667 5.666 0.326 1.00 14.59 C ATOM 1335 CE1 HIS A 87 -10.358 7.311 1.698 1.00 15.05 C ATOM 1336 NE2 HIS A 87 -10.292 6.003 1.533 1.00 15.30 N ATOM 0 H HIS A 87 -13.105 7.573 -3.854 1.00 6.67 H new ATOM 0 HA HIS A 87 -13.416 6.209 -1.191 1.00 8.71 H new ATOM 0 HB2 HIS A 87 -11.177 6.033 -2.288 1.00 10.42 H new ATOM 0 HB3 HIS A 87 -11.076 7.782 -2.241 1.00 10.42 H new ATOM 0 HD2 HIS A 87 -10.710 4.670 -0.089 1.00 14.59 H new ATOM 0 HE1 HIS A 87 -10.104 7.851 2.598 1.00 15.05 H new ATOM 0 HE2 HIS A 87 -9.989 5.344 2.250 1.00 15.30 H new ATOM 1345 N PRO A 88 -14.402 8.586 -0.446 1.00 7.70 N ATOM 1346 CA PRO A 88 -15.087 9.863 -0.183 1.00 10.44 C ATOM 1347 C PRO A 88 -14.084 11.018 -0.120 1.00 9.91 C ATOM 1348 O PRO A 88 -13.012 10.882 0.493 1.00 11.41 O ATOM 1349 CB PRO A 88 -15.855 9.613 1.124 1.00 10.62 C ATOM 1350 CG PRO A 88 -15.098 8.494 1.790 1.00 10.41 C ATOM 1351 CD PRO A 88 -14.718 7.612 0.598 1.00 9.40 C ATOM 0 HA PRO A 88 -15.774 10.168 -0.973 1.00 10.44 H new ATOM 0 HB2 PRO A 88 -15.878 10.506 1.749 1.00 10.62 H new ATOM 0 HB3 PRO A 88 -16.890 9.333 0.930 1.00 10.62 H new ATOM 0 HG2 PRO A 88 -14.220 8.857 2.325 1.00 10.41 H new ATOM 0 HG3 PRO A 88 -15.713 7.959 2.513 1.00 10.41 H new ATOM 0 HD2 PRO A 88 -13.865 6.973 0.825 1.00 9.40 H new ATOM 0 HD3 PRO A 88 -15.538 6.957 0.304 1.00 9.40 H new ATOM 1359 N GLY A 89 -14.367 11.976 -1.016 1.00 10.00 N ATOM 1360 CA GLY A 89 -13.535 13.153 -1.194 1.00 10.18 C ATOM 1361 C GLY A 89 -12.267 13.004 -2.064 1.00 12.92 C ATOM 1362 O GLY A 89 -11.856 13.989 -2.692 1.00 14.20 O ATOM 0 H GLY A 89 -15.180 11.947 -1.632 1.00 10.00 H new ATOM 0 HA2 GLY A 89 -14.152 13.938 -1.630 1.00 10.18 H new ATOM 0 HA3 GLY A 89 -13.227 13.500 -0.208 1.00 10.18 H new ATOM 1366 N ILE A 90 -11.645 11.815 -2.188 1.00 11.06 N ATOM 1367 CA ILE A 90 -10.394 11.677 -2.930 1.00 8.16 C ATOM 1368 C ILE A 90 -10.533 11.075 -4.307 1.00 6.45 C ATOM 1369 O ILE A 90 -9.983 11.587 -5.282 1.00 7.46 O ATOM 1370 CB ILE A 90 -9.403 10.845 -2.048 1.00 7.49 C ATOM 1371 CG1 ILE A 90 -9.162 11.607 -0.773 1.00 6.98 C ATOM 1372 CG2 ILE A 90 -8.021 10.687 -2.685 1.00 7.67 C ATOM 1373 CD1 ILE A 90 -8.614 10.748 0.362 1.00 8.17 C ATOM 0 H ILE A 90 -11.993 10.946 -1.783 1.00 11.06 H new ATOM 0 HA ILE A 90 -10.015 12.681 -3.121 1.00 8.16 H new ATOM 0 HB ILE A 90 -9.855 9.863 -1.909 1.00 7.49 H new ATOM 0 HG12 ILE A 90 -8.463 12.419 -0.972 1.00 6.98 H new ATOM 0 HG13 ILE A 90 -10.098 12.064 -0.451 1.00 6.98 H new ATOM 0 HG21 ILE A 90 -7.381 10.101 -2.025 1.00 7.67 H new ATOM 0 HG22 ILE A 90 -8.118 10.177 -3.643 1.00 7.67 H new ATOM 0 HG23 ILE A 90 -7.578 11.670 -2.841 1.00 7.67 H new ATOM 0 HD11 ILE A 90 -8.466 11.366 1.247 1.00 8.17 H new ATOM 0 HD12 ILE A 90 -9.322 9.951 0.590 1.00 8.17 H new ATOM 0 HD13 ILE A 90 -7.662 10.312 0.061 1.00 8.17 H new ATOM 1385 N ILE A 91 -11.220 9.941 -4.424 1.00 4.73 N ATOM 1386 CA ILE A 91 -11.322 9.246 -5.711 1.00 6.29 C ATOM 1387 C ILE A 91 -12.790 9.387 -6.063 1.00 3.79 C ATOM 1388 O ILE A 91 -13.586 9.099 -5.173 1.00 4.88 O ATOM 1389 CB ILE A 91 -10.966 7.731 -5.588 1.00 6.01 C ATOM 1390 CG1 ILE A 91 -9.598 7.523 -4.953 1.00 6.44 C ATOM 1391 CG2 ILE A 91 -10.996 7.095 -6.957 1.00 4.02 C ATOM 1392 CD1 ILE A 91 -8.431 8.135 -5.736 1.00 8.01 C ATOM 0 H ILE A 91 -11.710 9.485 -3.654 1.00 4.73 H new ATOM 0 HA ILE A 91 -10.637 9.658 -6.451 1.00 6.29 H new ATOM 0 HB ILE A 91 -11.707 7.261 -4.941 1.00 6.01 H new ATOM 0 HG12 ILE A 91 -9.609 7.950 -3.950 1.00 6.44 H new ATOM 0 HG13 ILE A 91 -9.422 6.453 -4.842 1.00 6.44 H new ATOM 0 HG21 ILE A 91 -10.748 6.037 -6.872 1.00 4.02 H new ATOM 0 HG22 ILE A 91 -11.993 7.200 -7.385 1.00 4.02 H new ATOM 0 HG23 ILE A 91 -10.269 7.588 -7.603 1.00 4.02 H new ATOM 0 HD11 ILE A 91 -7.497 7.938 -5.210 1.00 8.01 H new ATOM 0 HD12 ILE A 91 -8.388 7.691 -6.731 1.00 8.01 H new ATOM 0 HD13 ILE A 91 -8.577 9.211 -5.825 1.00 8.01 H new ATOM 1404 N PRO A 92 -13.201 9.792 -7.279 1.00 4.17 N ATOM 1405 CA PRO A 92 -14.598 9.788 -7.749 1.00 5.55 C ATOM 1406 C PRO A 92 -15.164 8.385 -7.909 1.00 4.42 C ATOM 1407 O PRO A 92 -14.390 7.427 -8.055 1.00 5.15 O ATOM 1408 CB PRO A 92 -14.554 10.521 -9.059 1.00 6.08 C ATOM 1409 CG PRO A 92 -13.196 11.175 -9.099 1.00 6.52 C ATOM 1410 CD PRO A 92 -12.328 10.192 -8.370 1.00 3.94 C ATOM 0 HA PRO A 92 -15.262 10.262 -7.026 1.00 5.55 H new ATOM 0 HB2 PRO A 92 -14.687 9.838 -9.898 1.00 6.08 H new ATOM 0 HB3 PRO A 92 -15.350 11.262 -9.123 1.00 6.08 H new ATOM 0 HG2 PRO A 92 -12.855 11.334 -10.122 1.00 6.52 H new ATOM 0 HG3 PRO A 92 -13.202 12.149 -8.610 1.00 6.52 H new ATOM 0 HD2 PRO A 92 -12.045 9.349 -9.000 1.00 3.94 H new ATOM 0 HD3 PRO A 92 -11.404 10.647 -8.011 1.00 3.94 H new ATOM 1418 N PRO A 93 -16.492 8.199 -7.995 1.00 4.82 N ATOM 1419 CA PRO A 93 -17.079 6.962 -8.509 1.00 2.73 C ATOM 1420 C PRO A 93 -16.537 6.658 -9.911 1.00 4.00 C ATOM 1421 O PRO A 93 -16.221 7.544 -10.710 1.00 2.50 O ATOM 1422 CB PRO A 93 -18.584 7.186 -8.539 1.00 4.57 C ATOM 1423 CG PRO A 93 -18.841 8.456 -7.758 1.00 2.86 C ATOM 1424 CD PRO A 93 -17.523 9.223 -7.751 1.00 3.66 C ATOM 0 HA PRO A 93 -16.827 6.107 -7.882 1.00 2.73 H new ATOM 0 HB2 PRO A 93 -18.942 7.281 -9.564 1.00 4.57 H new ATOM 0 HB3 PRO A 93 -19.111 6.342 -8.094 1.00 4.57 H new ATOM 0 HG2 PRO A 93 -19.632 9.045 -8.222 1.00 2.86 H new ATOM 0 HG3 PRO A 93 -19.166 8.230 -6.742 1.00 2.86 H new ATOM 0 HD2 PRO A 93 -17.508 9.992 -8.524 1.00 3.66 H new ATOM 0 HD3 PRO A 93 -17.363 9.726 -6.798 1.00 3.66 H new ATOM 1432 N HIS A 94 -16.378 5.352 -10.134 1.00 2.02 N ATOM 1433 CA HIS A 94 -16.031 4.764 -11.424 1.00 2.29 C ATOM 1434 C HIS A 94 -14.680 5.207 -11.953 1.00 3.54 C ATOM 1435 O HIS A 94 -14.517 5.201 -13.160 1.00 5.36 O ATOM 1436 CB HIS A 94 -17.171 5.098 -12.462 1.00 2.13 C ATOM 1437 CG HIS A 94 -18.498 4.536 -11.979 1.00 3.62 C ATOM 1438 ND1 HIS A 94 -18.835 3.259 -11.888 1.00 5.90 N ATOM 1439 CD2 HIS A 94 -19.553 5.282 -11.500 1.00 6.00 C ATOM 1440 CE1 HIS A 94 -20.044 3.215 -11.369 1.00 7.29 C ATOM 1441 NE2 HIS A 94 -20.478 4.429 -11.139 1.00 7.42 N ATOM 0 H HIS A 94 -16.491 4.655 -9.398 1.00 2.02 H new ATOM 0 HA HIS A 94 -15.948 3.687 -11.278 1.00 2.29 H new ATOM 0 HB2 HIS A 94 -17.250 6.177 -12.592 1.00 2.13 H new ATOM 0 HB3 HIS A 94 -16.922 4.677 -13.436 1.00 2.13 H new ATOM 0 HD2 HIS A 94 -19.606 6.359 -11.435 1.00 6.00 H new ATOM 0 HE1 HIS A 94 -20.597 2.310 -11.163 1.00 7.29 H new ATOM 0 HE2 HIS A 94 -21.387 4.670 -10.744 1.00 7.42 H new ATOM 1450 N ALA A 95 -13.716 5.580 -11.104 1.00 2.02 N ATOM 1451 CA ALA A 95 -12.408 6.046 -11.553 1.00 2.07 C ATOM 1452 C ALA A 95 -11.361 4.972 -11.929 1.00 2.04 C ATOM 1453 O ALA A 95 -11.185 4.030 -11.157 1.00 2.22 O ATOM 1454 CB ALA A 95 -11.828 6.901 -10.456 1.00 2.15 C ATOM 0 H ALA A 95 -13.824 5.566 -10.090 1.00 2.02 H new ATOM 0 HA ALA A 95 -12.603 6.572 -12.487 1.00 2.07 H new ATOM 0 HB1 ALA A 95 -10.847 7.267 -10.760 1.00 2.15 H new ATOM 0 HB2 ALA A 95 -12.488 7.747 -10.267 1.00 2.15 H new ATOM 0 HB3 ALA A 95 -11.728 6.308 -9.547 1.00 2.15 H new ATOM 1460 N THR A 96 -10.651 5.043 -13.069 1.00 2.15 N ATOM 1461 CA THR A 96 -9.498 4.199 -13.353 1.00 2.05 C ATOM 1462 C THR A 96 -8.304 4.832 -12.612 1.00 2.64 C ATOM 1463 O THR A 96 -8.054 6.034 -12.713 1.00 2.00 O ATOM 1464 CB THR A 96 -9.192 4.165 -14.884 1.00 3.72 C ATOM 1465 OG1 THR A 96 -10.249 3.433 -15.527 1.00 4.61 O ATOM 1466 CG2 THR A 96 -7.838 3.566 -15.184 1.00 2.33 C ATOM 0 H THR A 96 -10.871 5.697 -13.820 1.00 2.15 H new ATOM 0 HA THR A 96 -9.688 3.175 -13.031 1.00 2.05 H new ATOM 0 HB THR A 96 -9.152 5.184 -15.270 1.00 3.72 H new ATOM 0 HG1 THR A 96 -10.082 3.398 -16.492 1.00 4.61 H new ATOM 0 HG21 THR A 96 -7.671 3.564 -16.261 1.00 2.33 H new ATOM 0 HG22 THR A 96 -7.062 4.158 -14.698 1.00 2.33 H new ATOM 0 HG23 THR A 96 -7.802 2.543 -14.810 1.00 2.33 H new ATOM 1474 N LEU A 97 -7.520 4.040 -11.883 1.00 2.19 N ATOM 1475 CA LEU A 97 -6.417 4.565 -11.107 1.00 2.07 C ATOM 1476 C LEU A 97 -5.080 4.163 -11.745 1.00 2.05 C ATOM 1477 O LEU A 97 -4.964 3.115 -12.382 1.00 5.34 O ATOM 1478 CB LEU A 97 -6.565 4.022 -9.680 1.00 2.00 C ATOM 1479 CG LEU A 97 -7.838 4.396 -8.939 1.00 2.82 C ATOM 1480 CD1 LEU A 97 -7.755 3.831 -7.550 1.00 2.15 C ATOM 1481 CD2 LEU A 97 -8.026 5.926 -8.913 1.00 2.08 C ATOM 0 H LEU A 97 -7.636 3.029 -11.819 1.00 2.19 H new ATOM 0 HA LEU A 97 -6.431 5.655 -11.083 1.00 2.07 H new ATOM 0 HB2 LEU A 97 -6.501 2.935 -9.721 1.00 2.00 H new ATOM 0 HB3 LEU A 97 -5.715 4.369 -9.093 1.00 2.00 H new ATOM 0 HG LEU A 97 -8.706 3.979 -9.450 1.00 2.82 H new ATOM 0 HD11 LEU A 97 -8.659 4.087 -6.998 1.00 2.15 H new ATOM 0 HD12 LEU A 97 -7.658 2.747 -7.603 1.00 2.15 H new ATOM 0 HD13 LEU A 97 -6.888 4.248 -7.039 1.00 2.15 H new ATOM 0 HD21 LEU A 97 -8.943 6.171 -8.378 1.00 2.08 H new ATOM 0 HD22 LEU A 97 -7.177 6.388 -8.409 1.00 2.08 H new ATOM 0 HD23 LEU A 97 -8.090 6.302 -9.934 1.00 2.08 H new ATOM 1493 N VAL A 98 -4.080 5.013 -11.639 1.00 2.00 N ATOM 1494 CA VAL A 98 -2.815 4.738 -12.232 1.00 3.65 C ATOM 1495 C VAL A 98 -1.850 4.811 -11.071 1.00 2.12 C ATOM 1496 O VAL A 98 -1.803 5.825 -10.387 1.00 3.97 O ATOM 1497 CB VAL A 98 -2.491 5.792 -13.315 1.00 3.31 C ATOM 1498 CG1 VAL A 98 -1.094 5.499 -13.819 1.00 2.09 C ATOM 1499 CG2 VAL A 98 -3.462 5.727 -14.511 1.00 2.11 C ATOM 0 H VAL A 98 -4.133 5.902 -11.142 1.00 2.00 H new ATOM 0 HA VAL A 98 -2.773 3.773 -12.738 1.00 3.65 H new ATOM 0 HB VAL A 98 -2.581 6.785 -12.874 1.00 3.31 H new ATOM 0 HG11 VAL A 98 -0.825 6.223 -14.588 1.00 2.09 H new ATOM 0 HG12 VAL A 98 -0.387 5.568 -12.992 1.00 2.09 H new ATOM 0 HG13 VAL A 98 -1.062 4.494 -14.240 1.00 2.09 H new ATOM 0 HG21 VAL A 98 -3.190 6.488 -15.242 1.00 2.11 H new ATOM 0 HG22 VAL A 98 -3.404 4.742 -14.974 1.00 2.11 H new ATOM 0 HG23 VAL A 98 -4.480 5.905 -14.164 1.00 2.11 H new ATOM 1509 N PHE A 99 -1.125 3.743 -10.753 1.00 4.42 N ATOM 1510 CA PHE A 99 -0.165 3.796 -9.662 1.00 2.41 C ATOM 1511 C PHE A 99 1.249 3.570 -10.210 1.00 2.00 C ATOM 1512 O PHE A 99 1.462 2.710 -11.063 1.00 2.00 O ATOM 1513 CB PHE A 99 -0.457 2.719 -8.640 1.00 2.00 C ATOM 1514 CG PHE A 99 -1.571 3.013 -7.684 1.00 2.40 C ATOM 1515 CD1 PHE A 99 -2.882 2.651 -8.008 1.00 2.00 C ATOM 1516 CD2 PHE A 99 -1.283 3.639 -6.487 1.00 2.08 C ATOM 1517 CE1 PHE A 99 -3.884 2.932 -7.114 1.00 2.02 C ATOM 1518 CE2 PHE A 99 -2.303 3.913 -5.601 1.00 2.30 C ATOM 1519 CZ PHE A 99 -3.599 3.561 -5.914 1.00 2.48 C ATOM 0 H PHE A 99 -1.184 2.843 -11.229 1.00 4.42 H new ATOM 0 HA PHE A 99 -0.241 4.775 -9.189 1.00 2.41 H new ATOM 0 HB2 PHE A 99 -0.692 1.796 -9.170 1.00 2.00 H new ATOM 0 HB3 PHE A 99 0.451 2.534 -8.065 1.00 2.00 H new ATOM 0 HD1 PHE A 99 -3.102 2.160 -8.944 1.00 2.00 H new ATOM 0 HD2 PHE A 99 -0.266 3.912 -6.247 1.00 2.08 H new ATOM 0 HE1 PHE A 99 -4.903 2.661 -7.348 1.00 2.02 H new ATOM 0 HE2 PHE A 99 -2.087 4.403 -4.663 1.00 2.30 H new ATOM 0 HZ PHE A 99 -4.397 3.777 -5.219 1.00 2.48 H new ATOM 1529 N ASP A 100 2.205 4.343 -9.749 1.00 2.07 N ATOM 1530 CA ASP A 100 3.622 4.188 -10.062 1.00 2.05 C ATOM 1531 C ASP A 100 4.085 3.563 -8.756 1.00 2.00 C ATOM 1532 O ASP A 100 4.049 4.188 -7.704 1.00 2.00 O ATOM 1533 CB ASP A 100 4.282 5.535 -10.278 1.00 2.00 C ATOM 1534 CG ASP A 100 5.790 5.502 -10.480 1.00 2.09 C ATOM 1535 OD1 ASP A 100 6.434 4.493 -10.197 1.00 2.00 O ATOM 1536 OD2 ASP A 100 6.311 6.503 -10.944 1.00 2.00 O ATOM 0 H ASP A 100 2.019 5.127 -9.123 1.00 2.07 H new ATOM 0 HA ASP A 100 3.846 3.621 -10.966 1.00 2.05 H new ATOM 0 HB2 ASP A 100 3.827 6.007 -11.148 1.00 2.00 H new ATOM 0 HB3 ASP A 100 4.062 6.169 -9.419 1.00 2.00 H new ATOM 1541 N VAL A 101 4.483 2.308 -8.867 1.00 2.00 N ATOM 1542 CA VAL A 101 4.810 1.457 -7.727 1.00 3.03 C ATOM 1543 C VAL A 101 6.214 0.840 -7.889 1.00 2.94 C ATOM 1544 O VAL A 101 6.575 0.328 -8.960 1.00 2.23 O ATOM 1545 CB VAL A 101 3.699 0.351 -7.604 1.00 2.13 C ATOM 1546 CG1 VAL A 101 4.010 -0.616 -6.475 1.00 2.10 C ATOM 1547 CG2 VAL A 101 2.415 0.957 -7.129 1.00 3.53 C ATOM 0 H VAL A 101 4.591 1.839 -9.766 1.00 2.00 H new ATOM 0 HA VAL A 101 4.833 2.047 -6.811 1.00 3.03 H new ATOM 0 HB VAL A 101 3.645 -0.120 -8.586 1.00 2.13 H new ATOM 0 HG11 VAL A 101 3.224 -1.369 -6.414 1.00 2.10 H new ATOM 0 HG12 VAL A 101 4.966 -1.103 -6.666 1.00 2.10 H new ATOM 0 HG13 VAL A 101 4.063 -0.070 -5.533 1.00 2.10 H new ATOM 0 HG21 VAL A 101 1.654 0.181 -7.048 1.00 3.53 H new ATOM 0 HG22 VAL A 101 2.569 1.417 -6.153 1.00 3.53 H new ATOM 0 HG23 VAL A 101 2.086 1.715 -7.840 1.00 3.53 H new ATOM 1557 N GLU A 102 7.024 0.911 -6.844 1.00 2.47 N ATOM 1558 CA GLU A 102 8.344 0.346 -6.872 1.00 3.37 C ATOM 1559 C GLU A 102 8.369 -0.668 -5.765 1.00 2.00 C ATOM 1560 O GLU A 102 8.080 -0.296 -4.625 1.00 2.00 O ATOM 1561 CB GLU A 102 9.355 1.437 -6.638 1.00 5.33 C ATOM 1562 CG GLU A 102 10.767 0.847 -6.448 1.00 8.11 C ATOM 1563 CD GLU A 102 11.944 1.798 -6.666 1.00 12.60 C ATOM 1564 OE1 GLU A 102 11.843 2.997 -6.421 1.00 8.00 O ATOM 1565 OE2 GLU A 102 12.966 1.314 -7.154 1.00 14.21 O ATOM 0 H GLU A 102 6.777 1.361 -5.963 1.00 2.47 H new ATOM 0 HA GLU A 102 8.586 -0.118 -7.828 1.00 3.37 H new ATOM 0 HB2 GLU A 102 9.355 2.126 -7.483 1.00 5.33 H new ATOM 0 HB3 GLU A 102 9.076 2.014 -5.756 1.00 5.33 H new ATOM 0 HG2 GLU A 102 10.835 0.447 -5.436 1.00 8.11 H new ATOM 0 HG3 GLU A 102 10.879 0.005 -7.131 1.00 8.11 H new ATOM 1572 N LEU A 103 8.654 -1.928 -6.075 1.00 2.00 N ATOM 1573 CA LEU A 103 8.703 -2.948 -5.035 1.00 2.00 C ATOM 1574 C LEU A 103 10.143 -2.982 -4.486 1.00 2.00 C ATOM 1575 O LEU A 103 11.108 -3.412 -5.125 1.00 2.08 O ATOM 1576 CB LEU A 103 8.279 -4.307 -5.626 1.00 2.00 C ATOM 1577 CG LEU A 103 8.490 -5.532 -4.713 1.00 2.00 C ATOM 1578 CD1 LEU A 103 7.782 -5.335 -3.357 1.00 2.42 C ATOM 1579 CD2 LEU A 103 7.965 -6.783 -5.416 1.00 2.00 C ATOM 0 H LEU A 103 8.851 -2.263 -7.018 1.00 2.00 H new ATOM 0 HA LEU A 103 8.015 -2.724 -4.220 1.00 2.00 H new ATOM 0 HB2 LEU A 103 7.223 -4.253 -5.891 1.00 2.00 H new ATOM 0 HB3 LEU A 103 8.832 -4.468 -6.551 1.00 2.00 H new ATOM 0 HG LEU A 103 9.556 -5.649 -4.517 1.00 2.00 H new ATOM 0 HD11 LEU A 103 7.945 -6.212 -2.731 1.00 2.42 H new ATOM 0 HD12 LEU A 103 8.187 -4.453 -2.860 1.00 2.42 H new ATOM 0 HD13 LEU A 103 6.713 -5.200 -3.521 1.00 2.42 H new ATOM 0 HD21 LEU A 103 8.113 -7.651 -4.773 1.00 2.00 H new ATOM 0 HD22 LEU A 103 6.902 -6.664 -5.626 1.00 2.00 H new ATOM 0 HD23 LEU A 103 8.505 -6.928 -6.351 1.00 2.00 H new ATOM 1591 N LEU A 104 10.267 -2.500 -3.269 1.00 2.09 N ATOM 1592 CA LEU A 104 11.574 -2.282 -2.639 1.00 2.00 C ATOM 1593 C LEU A 104 12.171 -3.504 -1.939 1.00 2.09 C ATOM 1594 O LEU A 104 13.381 -3.818 -2.028 1.00 2.00 O ATOM 1595 CB LEU A 104 11.487 -1.121 -1.592 1.00 2.00 C ATOM 1596 CG LEU A 104 11.011 0.283 -2.040 1.00 2.23 C ATOM 1597 CD1 LEU A 104 10.884 1.273 -0.876 1.00 2.62 C ATOM 1598 CD2 LEU A 104 12.030 0.807 -3.023 1.00 2.00 C ATOM 0 H LEU A 104 9.474 -2.245 -2.680 1.00 2.09 H new ATOM 0 HA LEU A 104 12.236 -2.037 -3.469 1.00 2.00 H new ATOM 0 HB2 LEU A 104 10.821 -1.451 -0.794 1.00 2.00 H new ATOM 0 HB3 LEU A 104 12.478 -1.004 -1.153 1.00 2.00 H new ATOM 0 HG LEU A 104 10.018 0.188 -2.479 1.00 2.23 H new ATOM 0 HD11 LEU A 104 10.547 2.238 -1.254 1.00 2.62 H new ATOM 0 HD12 LEU A 104 10.161 0.894 -0.153 1.00 2.62 H new ATOM 0 HD13 LEU A 104 11.853 1.392 -0.392 1.00 2.62 H new ATOM 0 HD21 LEU A 104 11.730 1.798 -3.364 1.00 2.00 H new ATOM 0 HD22 LEU A 104 13.004 0.869 -2.539 1.00 2.00 H new ATOM 0 HD23 LEU A 104 12.092 0.133 -3.877 1.00 2.00 H new ATOM 1610 N LYS A 105 11.285 -4.187 -1.214 1.00 2.35 N ATOM 1611 CA LYS A 105 11.748 -5.196 -0.275 1.00 3.56 C ATOM 1612 C LYS A 105 10.588 -6.120 0.077 1.00 4.04 C ATOM 1613 O LYS A 105 9.447 -5.640 0.011 1.00 2.11 O ATOM 1614 CB LYS A 105 12.204 -4.459 0.934 1.00 4.70 C ATOM 1615 CG LYS A 105 12.983 -5.256 1.903 1.00 8.71 C ATOM 1616 CD LYS A 105 13.444 -4.283 2.950 1.00 8.68 C ATOM 1617 CE LYS A 105 13.993 -5.155 4.052 1.00 10.78 C ATOM 1618 NZ LYS A 105 14.226 -4.306 5.205 1.00 11.71 N ATOM 0 H LYS A 105 10.274 -4.063 -1.258 1.00 2.35 H new ATOM 0 HA LYS A 105 12.553 -5.803 -0.689 1.00 3.56 H new ATOM 0 HB2 LYS A 105 12.810 -3.611 0.615 1.00 4.70 H new ATOM 0 HB3 LYS A 105 11.330 -4.052 1.443 1.00 4.70 H new ATOM 0 HG2 LYS A 105 12.372 -6.044 2.343 1.00 8.71 H new ATOM 0 HG3 LYS A 105 13.830 -5.742 1.419 1.00 8.71 H new ATOM 0 HD2 LYS A 105 14.206 -3.609 2.559 1.00 8.68 H new ATOM 0 HD3 LYS A 105 12.622 -3.662 3.306 1.00 8.68 H new ATOM 0 HE2 LYS A 105 13.290 -5.951 4.298 1.00 10.78 H new ATOM 0 HE3 LYS A 105 14.919 -5.635 3.736 1.00 10.78 H new ATOM 0 HZ1 LYS A 105 14.985 -4.713 5.788 1.00 11.71 H new ATOM 0 HZ2 LYS A 105 14.506 -3.357 4.886 1.00 11.71 H new ATOM 0 HZ3 LYS A 105 13.354 -4.239 5.768 1.00 11.71 H new ATOM 1632 N LEU A 106 10.873 -7.381 0.463 1.00 2.84 N ATOM 1633 CA LEU A 106 9.865 -8.281 1.010 1.00 2.86 C ATOM 1634 C LEU A 106 10.355 -8.631 2.389 1.00 3.93 C ATOM 1635 O LEU A 106 11.552 -8.902 2.619 1.00 4.70 O ATOM 1636 CB LEU A 106 9.697 -9.596 0.213 1.00 2.24 C ATOM 1637 CG LEU A 106 9.193 -9.457 -1.243 1.00 2.13 C ATOM 1638 CD1 LEU A 106 9.150 -10.820 -1.861 1.00 2.04 C ATOM 1639 CD2 LEU A 106 7.794 -8.851 -1.304 1.00 4.67 C ATOM 0 H LEU A 106 11.805 -7.791 0.401 1.00 2.84 H new ATOM 0 HA LEU A 106 8.895 -7.784 0.982 1.00 2.86 H new ATOM 0 HB2 LEU A 106 10.658 -10.110 0.194 1.00 2.24 H new ATOM 0 HB3 LEU A 106 9.003 -10.238 0.755 1.00 2.24 H new ATOM 0 HG LEU A 106 9.873 -8.795 -1.779 1.00 2.13 H new ATOM 0 HD11 LEU A 106 8.797 -10.742 -2.889 1.00 2.04 H new ATOM 0 HD12 LEU A 106 10.149 -11.255 -1.853 1.00 2.04 H new ATOM 0 HD13 LEU A 106 8.473 -11.456 -1.292 1.00 2.04 H new ATOM 0 HD21 LEU A 106 7.477 -8.771 -2.344 1.00 4.67 H new ATOM 0 HD22 LEU A 106 7.097 -9.489 -0.761 1.00 4.67 H new ATOM 0 HD23 LEU A 106 7.807 -7.860 -0.851 1.00 4.67 H new ATOM 1651 N GLU A 107 9.429 -8.542 3.313 1.00 6.38 N ATOM 1652 CA GLU A 107 9.700 -8.835 4.711 1.00 9.00 C ATOM 1653 C GLU A 107 8.727 -9.901 5.218 1.00 10.52 C ATOM 1654 O GLU A 107 7.864 -10.343 4.439 1.00 10.53 O ATOM 1655 CB GLU A 107 9.522 -7.580 5.544 1.00 7.90 C ATOM 1656 CG GLU A 107 10.452 -6.460 5.176 1.00 9.88 C ATOM 1657 CD GLU A 107 10.310 -5.252 6.085 1.00 12.12 C ATOM 1658 OE1 GLU A 107 9.211 -4.967 6.586 1.00 13.02 O ATOM 1659 OE2 GLU A 107 11.314 -4.568 6.277 1.00 12.10 O ATOM 1660 OXT GLU A 107 8.802 -10.229 6.404 1.00 11.27 O ATOM 0 H GLU A 107 8.466 -8.265 3.124 1.00 6.38 H new ATOM 0 HA GLU A 107 10.724 -9.197 4.799 1.00 9.00 H new ATOM 0 HB2 GLU A 107 8.494 -7.232 5.442 1.00 7.90 H new ATOM 0 HB3 GLU A 107 9.671 -7.830 6.594 1.00 7.90 H new ATOM 0 HG2 GLU A 107 11.480 -6.820 5.216 1.00 9.88 H new ATOM 0 HG3 GLU A 107 10.260 -6.158 4.146 1.00 9.88 H new TER 1667 GLU A 107 HETATM 1668 C2 GPI A 108 -3.414 1.619 -1.297 1.00 0.00 C HETATM 1669 N6 GPI A 108 -3.620 3.142 -1.209 1.00 0.00 N HETATM 1670 C5 GPI A 108 -2.428 3.682 -0.396 1.00 0.00 C HETATM 1671 C3 GPI A 108 -2.384 1.258 -0.242 1.00 0.00 C HETATM 1672 C4 GPI A 108 -1.522 2.492 -0.092 1.00 0.00 C HETATM 1673 C1 GPI A 108 -4.738 0.909 -0.977 1.00 0.00 C HETATM 1674 O1 GPI A 108 -4.855 -0.297 -1.180 1.00 0.00 O HETATM 1675 O2 GPI A 108 -5.784 1.620 -0.465 1.00 0.00 O HETATM 1676 C14 GPI A 108 -6.321 0.958 0.689 1.00 0.00 C HETATM 1677 C15 GPI A 108 -6.892 2.009 1.658 1.00 0.00 C HETATM 1678 C16 GPI A 108 -7.716 1.306 2.751 1.00 0.00 C HETATM 1679 N19 GPI A 108 -11.091 1.419 0.903 1.00 0.00 N HETATM 1680 C20 GPI A 108 -11.600 0.125 1.146 1.00 0.00 C HETATM 1681 C21 GPI A 108 -10.848 -0.788 1.909 1.00 0.00 C HETATM 1682 C22 GPI A 108 -9.591 -0.402 2.425 1.00 0.00 C HETATM 1683 C17 GPI A 108 -9.084 0.893 2.181 1.00 0.00 C HETATM 1684 C18 GPI A 108 -9.835 1.805 1.418 1.00 0.00 C HETATM 1685 C7 GPI A 108 -4.608 3.840 -1.723 1.00 0.00 C HETATM 1686 O7 GPI A 108 -5.496 3.273 -2.355 1.00 0.00 O HETATM 1687 C8 GPI A 108 -4.648 5.369 -1.535 1.00 0.00 C HETATM 1688 O8 GPI A 108 -4.086 6.100 -2.347 1.00 0.00 O HETATM 1689 C9 GPI A 108 -5.391 5.988 -0.333 1.00 0.00 C HETATM 1690 C12 GPI A 108 -4.608 7.214 0.173 1.00 0.00 C HETATM 1691 C13 GPI A 108 -5.510 4.956 0.802 1.00 0.00 C HETATM 1692 C10 GPI A 108 -6.799 6.432 -0.770 1.00 0.00 C HETATM 1693 C11 GPI A 108 -6.684 7.467 -1.902 1.00 0.00 C HETATM 0 H162 GPI A 108 -7.182 0.428 3.115 1.00 0.00 H new HETATM 0 H161 GPI A 108 -7.852 1.972 3.603 1.00 0.00 H new HETATM 0 H152 GPI A 108 -6.081 2.581 2.110 1.00 0.00 H new HETATM 0 H151 GPI A 108 -7.518 2.718 1.115 1.00 0.00 H new HETATM 0 H142 GPI A 108 -7.102 0.259 0.391 1.00 0.00 H new HETATM 0 H141 GPI A 108 -5.543 0.375 1.183 1.00 0.00 H new HETATM 0 H133 GPI A 108 -6.065 4.087 0.447 1.00 0.00 H new HETATM 0 H132 GPI A 108 -4.514 4.646 1.118 1.00 0.00 H new HETATM 0 H131 GPI A 108 -6.036 5.402 1.646 1.00 0.00 H new HETATM 0 H123 GPI A 108 -3.609 6.906 0.481 1.00 0.00 H new HETATM 0 H122 GPI A 108 -4.530 7.951 -0.626 1.00 0.00 H new HETATM 0 H121 GPI A 108 -5.130 7.654 1.023 1.00 0.00 H new HETATM 0 H113 GPI A 108 -6.125 8.333 -1.548 1.00 0.00 H new HETATM 0 H112 GPI A 108 -6.165 7.022 -2.751 1.00 0.00 H new HETATM 0 H111 GPI A 108 -7.681 7.781 -2.211 1.00 0.00 H new HETATM 0 H102 GPI A 108 -7.375 5.570 -1.108 1.00 0.00 H new HETATM 0 H101 GPI A 108 -7.335 6.861 0.076 1.00 0.00 H new HETATM 0 H52 GPI A 108 -1.889 4.443 -0.960 1.00 0.00 H new HETATM 0 H51 GPI A 108 -2.771 4.152 0.526 1.00 0.00 H new HETATM 0 H42 GPI A 108 -0.676 2.462 -0.778 1.00 0.00 H new HETATM 0 H41 GPI A 108 -1.113 2.561 0.916 1.00 0.00 H new HETATM 0 H32 GPI A 108 -2.862 0.994 0.701 1.00 0.00 H new HETATM 0 H31 GPI A 108 -1.790 0.397 -0.550 1.00 0.00 H new HETATM 0 H22 GPI A 108 -9.008 -1.109 3.016 1.00 0.00 H new HETATM 0 H21 GPI A 108 -11.234 -1.789 2.101 1.00 0.00 H new HETATM 0 H20 GPI A 108 -12.571 -0.166 0.745 1.00 0.00 H new HETATM 0 H2 GPI A 108 -3.085 1.319 -2.292 1.00 0.00 H new HETATM 0 H18 GPI A 108 -9.449 2.806 1.225 1.00 0.00 H new