USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot -92:sc= 0.19 USER MOD Set 1.2: A 67 SER OG : rot -140:sc= 0.0658 USER MOD Set 1.3: A 70 GLN : amide:sc= -2.83! K(o=-2.6!,f=0.23) USER MOD Set 2.1: A 25 HIS : no HD1:sc= 0.64 K(o=2.4,f=-6.6!) USER MOD Set 2.2: A 39 SER OG : rot 92: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= 0.71 USER MOD Set 4.1: A 1 GLY N :NH3+ -168:sc= 0.891 (180deg=0.00205) USER MOD Set 4.2: A 77 SER OG : rot 138:sc= 1.93 USER MOD Single : A 3 GLN : amide:sc= -1.66! K(o=-1.7!,f=-0.49) 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= 0.696 (180deg=0.695) USER MOD Single : A 20 GLN : amide:sc= 0.326 K(o=0.33,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= 1.39 USER MOD Single : A 29 MET CE :methyl -112:sc= -0.023 (180deg=-0.253) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.166 (180deg=-0.811) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 0.587 (180deg=0.456) USER MOD Single : A 43 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.2) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.106) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0.246 (180deg=0.0557) USER MOD Single : A 49 MET CE :methyl -161:sc= -0.491 (180deg=-1.47!) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 0.052 (180deg=0.00481) 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 139:sc= -0.0886 (180deg=-0.538) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0.039 (180deg=0.0265) USER MOD Single : A 75 THR OG1 : rot 91:sc= 0.786 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.214 K(o=-0.21,f=-1) USER MOD Single : A 94 HIS : no HD1:sc= -0.0051 X(o=-0.0051,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -153:sc= 0.247 (180deg=0.0554) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.463 -5.054 -15.083 1.00 6.24 N ATOM 2 CA GLY A 1 -8.313 -5.796 -14.589 1.00 5.48 C ATOM 3 C GLY A 1 -7.282 -4.750 -14.177 1.00 6.33 C ATOM 4 O GLY A 1 -7.664 -3.601 -13.963 1.00 5.75 O ATOM 0 H1 GLY A 1 -10.273 -5.698 -15.189 1.00 6.24 H new ATOM 0 H2 GLY A 1 -9.706 -4.301 -14.408 1.00 6.24 H new ATOM 0 H3 GLY A 1 -9.234 -4.632 -16.005 1.00 6.24 H new ATOM 0 HA2 GLY A 1 -8.589 -6.426 -13.743 1.00 5.48 H new ATOM 0 HA3 GLY A 1 -7.913 -6.455 -15.360 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 -4.865 -4.304 -13.808 1.00 4.13 C ATOM 12 C VAL A 2 -3.933 -4.624 -14.974 1.00 4.43 C ATOM 13 O VAL A 2 -3.891 -5.736 -15.515 1.00 5.81 O ATOM 14 CB VAL A 2 -4.307 -4.689 -12.395 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 -2.957 -4.007 -12.170 1.00 6.35 C ATOM 0 H VAL A 2 -5.748 -6.132 -14.251 1.00 5.47 H new ATOM 0 HA VAL A 2 -5.051 -3.232 -13.743 1.00 4.13 H new ATOM 0 HB VAL A 2 -5.036 -4.361 -11.654 1.00 3.49 H new ATOM 0 HG11 VAL A 2 -3.719 -6.420 -11.275 1.00 4.13 H new ATOM 0 HG12 VAL A 2 -5.060 -6.696 -12.412 1.00 4.13 H new ATOM 0 HG13 VAL A 2 -3.397 -6.526 -13.022 1.00 4.13 H new ATOM 0 HG21 VAL A 2 -2.572 -4.277 -11.187 1.00 6.35 H new ATOM 0 HG22 VAL A 2 -2.253 -4.331 -12.937 1.00 6.35 H new ATOM 0 HG23 VAL A 2 -3.082 -2.926 -12.226 1.00 6.35 H new ATOM 26 N GLN A 3 -3.255 -3.620 -15.448 1.00 4.31 N ATOM 27 CA GLN A 3 -2.297 -3.705 -16.527 1.00 5.50 C ATOM 28 C GLN A 3 -0.983 -3.300 -15.848 1.00 5.28 C ATOM 29 O GLN A 3 -0.958 -2.267 -15.177 1.00 5.22 O ATOM 30 CB GLN A 3 -2.732 -2.708 -17.510 1.00 7.13 C ATOM 31 CG GLN A 3 -1.783 -2.417 -18.617 1.00 11.82 C ATOM 32 CD GLN A 3 -2.421 -1.324 -19.439 1.00 15.85 C ATOM 33 OE1 GLN A 3 -3.569 -1.499 -19.864 1.00 16.98 O ATOM 34 NE2 GLN A 3 -1.765 -0.191 -19.654 1.00 16.20 N ATOM 0 H GLN A 3 -3.355 -2.674 -15.081 1.00 4.31 H new ATOM 0 HA GLN A 3 -2.198 -4.669 -17.026 1.00 5.50 H new ATOM 0 HB2 GLN A 3 -3.673 -3.045 -17.945 1.00 7.13 H new ATOM 0 HB3 GLN A 3 -2.940 -1.776 -16.984 1.00 7.13 H new ATOM 0 HG2 GLN A 3 -0.816 -2.098 -18.228 1.00 11.82 H new ATOM 0 HG3 GLN A 3 -1.605 -3.306 -19.222 1.00 11.82 H new ATOM 0 HE21 GLN A 3 -0.819 -0.073 -19.292 1.00 16.20 H new ATOM 0 HE22 GLN A 3 -2.207 0.562 -20.181 1.00 16.20 H new ATOM 43 N VAL A 4 0.093 -4.057 -15.998 1.00 5.58 N ATOM 44 CA VAL A 4 1.372 -3.821 -15.327 1.00 3.08 C ATOM 45 C VAL A 4 2.301 -3.362 -16.468 1.00 3.85 C ATOM 46 O VAL A 4 2.464 -4.070 -17.478 1.00 2.22 O ATOM 47 CB VAL A 4 1.887 -5.179 -14.672 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 -13.560 1.00 2.28 C ATOM 0 H VAL A 4 0.106 -4.876 -16.606 1.00 5.58 H new ATOM 0 HA VAL A 4 1.319 -3.089 -14.521 1.00 3.08 H new ATOM 0 HB VAL A 4 1.908 -5.941 -15.451 1.00 2.68 H new ATOM 0 HG11 VAL A 4 3.653 -5.842 -13.639 1.00 2.05 H new ATOM 0 HG12 VAL A 4 3.950 -4.613 -14.893 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 0.855 -4.995 -12.760 1.00 2.28 H new ATOM 0 HG23 VAL A 4 -0.042 -5.925 -13.983 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 -1.704 -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 5.013 -0.611 -15.783 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 0.885 0.658 -17.975 1.00 12.80 C ATOM 66 OE1 GLU A 5 0.965 1.681 -18.662 1.00 11.78 O ATOM 67 OE2 GLU A 5 0.193 0.564 -16.926 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 -2.469 -18.251 1.00 3.34 H new ATOM 0 HB2 GLU A 5 3.429 0.425 -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 -0.606 -19.589 1.00 12.28 H new ATOM 0 HG3 GLU A 5 1.305 -1.457 -18.079 1.00 12.28 H new ATOM 74 N THR A 6 6.168 -1.946 -17.097 1.00 2.69 N ATOM 75 CA THR A 6 7.428 -1.699 -16.391 1.00 2.32 C ATOM 76 C THR A 6 8.101 -0.338 -16.682 1.00 2.06 C ATOM 77 O THR A 6 8.133 0.151 -17.809 1.00 2.01 O ATOM 78 CB THR A 6 8.333 -2.888 -16.756 1.00 3.24 C ATOM 79 OG1 THR A 6 7.608 -4.082 -16.406 1.00 2.71 O ATOM 80 CG2 THR A 6 9.707 -2.779 -16.120 1.00 2.00 C ATOM 0 H THR A 6 6.254 -2.596 -17.878 1.00 2.69 H new ATOM 0 HA THR A 6 7.235 -1.627 -15.321 1.00 2.32 H new ATOM 0 HB THR A 6 8.554 -2.907 -17.823 1.00 3.24 H new ATOM 0 HG1 THR A 6 7.836 -4.347 -15.490 1.00 2.71 H new ATOM 0 HG21 THR A 6 10.310 -3.641 -16.406 1.00 2.00 H new ATOM 0 HG22 THR A 6 10.194 -1.866 -16.461 1.00 2.00 H new ATOM 0 HG23 THR A 6 9.605 -2.752 -15.035 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 10.946 1.006 -15.554 1.00 3.28 C ATOM 91 O ILE A 7 11.793 1.312 -16.397 1.00 2.33 O ATOM 92 CB ILE A 7 9.078 2.463 -14.539 1.00 2.81 C ATOM 93 CG1 ILE A 7 7.617 2.854 -14.790 1.00 2.08 C ATOM 94 CG2 ILE A 7 9.961 3.739 -14.452 1.00 2.00 C ATOM 95 CD1 ILE A 7 6.960 3.704 -13.688 1.00 4.79 C ATOM 0 H ILE A 7 8.524 -0.053 -14.687 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 1.951 -13.587 1.00 2.81 H new ATOM 0 HG12 ILE A 7 7.563 3.404 -15.730 1.00 2.08 H new ATOM 0 HG13 ILE A 7 7.032 1.943 -14.919 1.00 2.08 H new ATOM 0 HG21 ILE A 7 9.620 4.362 -13.625 1.00 2.00 H new ATOM 0 HG22 ILE A 7 10.999 3.452 -14.286 1.00 2.00 H new ATOM 0 HG23 ILE A 7 9.884 4.299 -15.384 1.00 2.00 H new ATOM 0 HD11 ILE A 7 5.929 3.925 -13.965 1.00 4.79 H new ATOM 0 HD12 ILE A 7 6.973 3.154 -12.747 1.00 4.79 H new ATOM 0 HD13 ILE A 7 7.512 4.637 -13.570 1.00 4.79 H new ATOM 107 N SER A 8 11.285 0.210 -14.532 1.00 2.13 N ATOM 108 CA SER A 8 12.631 -0.324 -14.370 1.00 5.82 C ATOM 109 C SER A 8 12.467 -1.776 -13.922 1.00 3.98 C ATOM 110 O SER A 8 11.548 -2.091 -13.147 1.00 2.39 O ATOM 111 CB SER A 8 13.423 0.397 -13.282 1.00 4.18 C ATOM 112 OG SER A 8 13.400 1.784 -13.610 1.00 11.59 O ATOM 0 H SER A 8 10.634 -0.077 -13.801 1.00 2.13 H new ATOM 0 HA SER A 8 13.170 -0.207 -15.310 1.00 5.82 H new ATOM 0 HB2 SER A 8 12.980 0.224 -12.301 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 13.898 2.288 -12.933 1.00 11.59 H new ATOM 118 N PRO A 9 13.286 -2.676 -14.456 1.00 4.08 N ATOM 119 CA PRO A 9 13.197 -4.116 -14.184 1.00 2.14 C ATOM 120 C PRO A 9 13.557 -4.451 -12.745 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 14.326 -3.676 -16.211 1.00 4.55 C ATOM 124 CD PRO A 9 14.315 -2.377 -15.445 1.00 3.80 C ATOM 0 HA PRO A 9 12.181 -4.495 -14.297 1.00 2.14 H new ATOM 0 HB2 PRO A 9 15.081 -5.008 -14.698 1.00 2.10 H new ATOM 0 HB3 PRO A 9 13.718 -5.647 -15.596 1.00 2.10 H new ATOM 0 HG2 PRO A 9 15.266 -3.812 -16.746 1.00 4.55 H new ATOM 0 HG3 PRO A 9 13.529 -3.704 -16.954 1.00 4.55 H new ATOM 0 HD2 PRO A 9 15.279 -2.154 -14.989 1.00 3.80 H new ATOM 0 HD3 PRO A 9 14.055 -1.525 -16.073 1.00 3.80 H new ATOM 132 N GLY A 10 13.026 -5.571 -12.275 1.00 2.00 N ATOM 133 CA GLY A 10 13.307 -6.125 -10.964 1.00 2.00 C ATOM 134 C GLY A 10 14.344 -7.250 -11.102 1.00 2.00 C ATOM 135 O GLY A 10 15.015 -7.345 -12.131 1.00 2.00 O ATOM 0 H GLY A 10 12.368 -6.134 -12.814 1.00 2.00 H new ATOM 0 HA2 GLY A 10 13.684 -5.347 -10.300 1.00 2.00 H new ATOM 0 HA3 GLY A 10 12.392 -6.511 -10.515 1.00 2.00 H new ATOM 139 N ASP A 11 14.524 -8.170 -10.162 1.00 2.00 N ATOM 140 CA ASP A 11 15.574 -9.184 -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 -8.989 1.00 2.14 C ATOM 144 CG ASP A 11 15.050 -10.535 -8.190 1.00 2.06 C ATOM 145 OD1 ASP A 11 13.887 -10.618 -8.548 1.00 3.24 O ATOM 146 OD2 ASP A 11 15.444 -11.105 -7.194 1.00 2.43 O ATOM 0 H ASP A 11 13.989 -8.243 -9.296 1.00 2.00 H new ATOM 0 HA ASP A 11 16.390 -8.679 -10.870 1.00 2.83 H new ATOM 0 HB2 ASP A 11 16.938 -10.350 -9.161 1.00 2.14 H new ATOM 0 HB3 ASP A 11 16.383 -8.883 -8.379 1.00 2.14 H new ATOM 151 N GLY A 12 13.823 -10.394 -11.534 1.00 2.91 N ATOM 152 CA GLY A 12 13.263 -11.491 -12.328 1.00 3.38 C ATOM 153 C GLY A 12 13.157 -12.791 -11.578 1.00 2.10 C ATOM 154 O GLY A 12 12.867 -13.789 -12.216 1.00 2.19 O ATOM 0 H GLY A 12 13.146 -9.688 -11.245 1.00 2.91 H new ATOM 0 HA2 GLY A 12 12.272 -11.203 -12.680 1.00 3.38 H new ATOM 0 HA3 GLY A 12 13.884 -11.641 -13.211 1.00 3.38 H new ATOM 158 N ARG A 13 13.360 -12.882 -10.265 1.00 3.67 N ATOM 159 CA ARG A 13 13.280 -14.168 -9.578 1.00 3.74 C ATOM 160 C ARG A 13 12.542 -14.118 -8.231 1.00 2.30 C ATOM 161 O ARG A 13 12.067 -15.154 -7.743 1.00 2.00 O ATOM 162 CB ARG A 13 14.706 -14.729 -9.311 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 17.211 -14.944 -10.002 1.00 17.99 C ATOM 165 NE ARG A 13 17.345 -16.355 -10.381 1.00 23.58 N ATOM 166 CZ ARG A 13 18.047 -16.733 -11.473 1.00 25.35 C ATOM 167 NH1 ARG A 13 18.707 -15.841 -12.234 1.00 26.59 N ATOM 168 NH2 ARG A 13 18.125 -18.034 -11.780 1.00 25.67 N ATOM 0 H ARG A 13 13.579 -12.089 -9.662 1.00 3.67 H new ATOM 0 HA ARG A 13 12.709 -14.810 -10.249 1.00 3.74 H new ATOM 0 HB2 ARG A 13 15.050 -14.324 -8.359 1.00 8.46 H new ATOM 0 HB3 ARG A 13 14.621 -15.808 -9.186 1.00 8.46 H new ATOM 0 HG2 ARG A 13 15.503 -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 17.956 -14.342 -10.522 1.00 17.99 H new ATOM 0 HD3 ARG A 13 17.392 -14.822 -8.934 1.00 17.99 H new ATOM 0 HE ARG A 13 16.897 -17.069 -9.806 1.00 23.58 H new ATOM 0 HH11 ARG A 13 18.686 -14.850 -11.993 1.00 26.59 H new ATOM 0 HH12 ARG A 13 19.228 -16.156 -13.052 1.00 26.59 H new ATOM 0 HH21 ARG A 13 17.658 -18.725 -11.193 1.00 25.67 H new ATOM 0 HH22 ARG A 13 18.651 -18.334 -12.601 1.00 25.67 H new ATOM 182 N THR A 14 12.504 -12.984 -7.517 1.00 2.21 N ATOM 183 CA THR A 14 11.889 -12.892 -6.178 1.00 2.87 C ATOM 184 C THR A 14 10.552 -12.166 -6.278 1.00 3.02 C ATOM 185 O THR A 14 10.515 -10.928 -6.348 1.00 2.00 O ATOM 186 CB THR A 14 12.829 -12.115 -5.195 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 -12.310 -3.708 1.00 2.06 C ATOM 0 H THR A 14 12.898 -12.103 -7.848 1.00 2.21 H new ATOM 0 HA THR A 14 11.734 -13.901 -5.795 1.00 2.87 H new ATOM 0 HB THR A 14 12.643 -11.051 -5.339 1.00 2.06 H new ATOM 0 HG1 THR A 14 14.504 -12.094 -6.230 1.00 2.22 H new ATOM 0 HG21 THR A 14 13.352 -11.708 -3.160 1.00 2.06 H new ATOM 0 HG22 THR A 14 11.618 -12.002 -3.434 1.00 2.06 H new ATOM 0 HG23 THR A 14 12.766 -13.362 -3.457 1.00 2.06 H new ATOM 196 N PHE A 15 9.492 -12.977 -6.418 1.00 2.37 N ATOM 197 CA PHE A 15 8.120 -12.463 -6.533 1.00 3.88 C ATOM 198 C PHE A 15 7.373 -12.672 -5.208 1.00 2.49 C ATOM 199 O PHE A 15 7.667 -13.650 -4.488 1.00 3.42 O ATOM 200 CB PHE A 15 7.405 -13.176 -7.658 1.00 2.61 C ATOM 201 CG PHE A 15 8.043 -12.970 -9.035 1.00 4.70 C ATOM 202 CD1 PHE A 15 7.678 -11.893 -9.806 1.00 2.42 C ATOM 203 CD2 PHE A 15 8.994 -13.873 -9.523 1.00 3.62 C ATOM 204 CE1 PHE A 15 8.245 -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 9.164 -12.592 -11.526 1.00 3.90 C ATOM 0 H PHE A 15 9.560 -13.994 -6.454 1.00 2.37 H new ATOM 0 HA PHE A 15 8.149 -11.396 -6.753 1.00 3.88 H new ATOM 0 HB2 PHE A 15 7.378 -14.243 -7.438 1.00 2.61 H new ATOM 0 HB3 PHE A 15 6.371 -12.831 -7.693 1.00 2.61 H new ATOM 0 HD1 PHE A 15 6.946 -11.190 -9.438 1.00 2.42 H new ATOM 0 HD2 PHE A 15 9.297 -14.722 -8.929 1.00 3.62 H new ATOM 0 HE1 PHE A 15 7.958 -10.858 -11.649 1.00 4.21 H new ATOM 0 HE2 PHE A 15 10.269 -14.360 -11.157 1.00 2.04 H new ATOM 0 HZ PHE A 15 9.598 -12.443 -12.504 1.00 3.90 H new ATOM 216 N PRO A 16 6.517 -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 4.875 -12.953 -3.426 1.00 2.69 C ATOM 219 O PRO A 16 4.223 -13.286 -4.420 1.00 2.00 O ATOM 220 CB PRO A 16 5.235 -10.430 -3.291 1.00 2.17 C ATOM 221 CG PRO A 16 5.171 -9.814 -4.696 1.00 2.94 C ATOM 222 CD PRO A 16 6.370 -10.400 -5.371 1.00 2.00 C ATOM 0 HA PRO A 16 6.553 -12.021 -2.650 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 5.829 -9.811 -2.619 1.00 2.17 H new ATOM 0 HG2 PRO A 16 4.248 -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 6.227 -10.460 -6.450 1.00 2.00 H new ATOM 0 HD3 PRO A 16 7.258 -9.791 -5.200 1.00 2.00 H new ATOM 230 N LYS A 17 4.774 -13.523 -2.247 1.00 2.05 N ATOM 231 CA LYS A 17 3.920 -14.662 -1.997 1.00 2.82 C ATOM 232 C LYS A 17 2.950 -14.256 -0.911 1.00 2.65 C ATOM 233 O LYS A 17 3.246 -13.347 -0.124 1.00 2.00 O ATOM 234 CB LYS A 17 4.798 -15.842 -1.522 1.00 6.99 C ATOM 235 CG LYS A 17 5.851 -16.213 -2.565 1.00 10.61 C ATOM 236 CD LYS A 17 5.165 -17.116 -3.584 1.00 14.13 C ATOM 237 CE LYS A 17 5.483 -16.861 -5.066 1.00 14.97 C ATOM 238 NZ LYS A 17 4.499 -15.969 -5.668 1.00 15.96 N ATOM 0 H LYS A 17 5.288 -13.205 -1.425 1.00 2.05 H new ATOM 0 HA LYS A 17 3.378 -14.969 -2.891 1.00 2.82 H new ATOM 0 HB2 LYS A 17 5.289 -15.577 -0.586 1.00 6.99 H new ATOM 0 HB3 LYS A 17 4.167 -16.707 -1.317 1.00 6.99 H new ATOM 0 HG2 LYS A 17 6.249 -15.320 -3.047 1.00 10.61 H new ATOM 0 HG3 LYS A 17 6.692 -16.726 -2.099 1.00 10.61 H new ATOM 0 HD2 LYS A 17 5.428 -18.148 -3.354 1.00 14.13 H new ATOM 0 HD3 LYS A 17 4.088 -17.024 -3.448 1.00 14.13 H new ATOM 0 HE2 LYS A 17 6.478 -16.425 -5.158 1.00 14.97 H new ATOM 0 HE3 LYS A 17 5.499 -17.808 -5.606 1.00 14.97 H new ATOM 0 HZ1 LYS A 17 4.747 -15.800 -6.664 1.00 15.96 H new ATOM 0 HZ2 LYS A 17 3.556 -16.405 -5.615 1.00 15.96 H new ATOM 0 HZ3 LYS A 17 4.491 -15.064 -5.155 1.00 15.96 H new ATOM 252 N ARG A 18 1.797 -14.925 -0.853 1.00 3.00 N ATOM 253 CA ARG A 18 0.818 -14.730 0.194 1.00 3.17 C ATOM 254 C ARG A 18 1.425 -14.852 1.611 1.00 4.58 C ATOM 255 O ARG A 18 2.148 -15.790 1.983 1.00 4.56 O ATOM 256 CB ARG A 18 -0.306 -15.746 0.072 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 -2.617 -16.333 1.090 1.00 7.29 C ATOM 259 NE ARG A 18 -2.039 -17.568 1.606 1.00 11.65 N ATOM 260 CZ ARG A 18 -2.715 -18.622 2.128 1.00 11.69 C ATOM 261 NH1 ARG A 18 -4.061 -18.661 2.280 1.00 8.81 N ATOM 262 NH2 ARG A 18 -1.957 -19.657 2.516 1.00 11.68 N ATOM 0 H ARG A 18 1.523 -15.623 -1.544 1.00 3.00 H new ATOM 0 HA ARG A 18 0.439 -13.716 0.065 1.00 3.17 H new ATOM 0 HB2 ARG A 18 -0.548 -15.903 -0.979 1.00 2.35 H new ATOM 0 HB3 ARG A 18 0.021 -16.707 0.470 1.00 2.35 H new ATOM 0 HG2 ARG A 18 -1.235 -14.853 1.780 1.00 4.98 H new ATOM 0 HG3 ARG A 18 -2.006 -14.460 0.256 1.00 4.98 H new ATOM 0 HD2 ARG A 18 -3.344 -15.946 1.804 1.00 7.29 H new ATOM 0 HD3 ARG A 18 -3.158 -16.543 0.167 1.00 7.29 H new ATOM 0 HE ARG A 18 -1.023 -17.648 1.571 1.00 11.65 H new ATOM 0 HH11 ARG A 18 -4.630 -17.864 1.994 1.00 8.81 H new ATOM 0 HH12 ARG A 18 -4.505 -19.487 2.681 1.00 8.81 H new ATOM 0 HH21 ARG A 18 -0.943 -19.615 2.409 1.00 11.68 H new ATOM 0 HH22 ARG A 18 -2.394 -20.486 2.918 1.00 11.68 H new ATOM 276 N GLY A 19 1.138 -13.873 2.442 1.00 3.63 N ATOM 277 CA GLY A 19 1.676 -13.862 3.760 1.00 3.22 C ATOM 278 C GLY A 19 2.939 -13.036 3.870 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 0.535 -13.082 2.217 1.00 3.63 H new ATOM 0 HA2 GLY A 19 0.929 -13.469 4.449 1.00 3.22 H new ATOM 0 HA3 GLY A 19 1.888 -14.885 4.070 1.00 3.22 H new ATOM 283 N GLN A 20 3.572 -12.658 2.789 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 -10.318 2.885 1.00 2.70 C ATOM 286 O GLN A 20 3.289 -9.940 2.302 1.00 2.45 O ATOM 287 CB GLN A 20 5.667 -11.966 1.687 1.00 3.16 C ATOM 288 CG GLN A 20 6.360 -13.363 1.712 1.00 2.12 C ATOM 289 CD GLN A 20 7.410 -13.513 0.617 1.00 4.98 C ATOM 290 OE1 GLN A 20 7.139 -13.435 -0.580 1.00 5.90 O ATOM 291 NE2 GLN A 20 8.677 -13.658 0.965 1.00 4.69 N ATOM 0 H GLN A 20 3.317 -12.944 1.844 1.00 2.68 H new ATOM 0 HA GLN A 20 5.220 -12.035 3.802 1.00 2.00 H new ATOM 0 HB2 GLN A 20 5.110 -11.855 0.757 1.00 3.16 H new ATOM 0 HB3 GLN A 20 6.427 -11.185 1.699 1.00 3.16 H new ATOM 0 HG2 GLN A 20 6.829 -13.515 2.684 1.00 2.12 H new ATOM 0 HG3 GLN A 20 5.606 -14.141 1.597 1.00 2.12 H new ATOM 0 HE21 GLN A 20 8.931 -13.725 1.951 1.00 4.69 H new ATOM 0 HE22 GLN A 20 9.401 -13.702 0.248 1.00 4.69 H new ATOM 300 N THR A 21 5.158 -9.531 3.563 1.00 2.00 N ATOM 301 CA THR A 21 4.994 -8.081 3.584 1.00 2.11 C ATOM 302 C THR A 21 5.766 -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 -8.109 5.908 1.00 2.00 O ATOM 306 CG2 THR A 21 5.479 -5.984 5.020 1.00 2.03 C ATOM 0 H THR A 21 5.951 -9.873 4.105 1.00 2.00 H new ATOM 0 HA THR A 21 3.935 -7.861 3.447 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 -7.799 6.805 1.00 2.00 H new ATOM 0 HG21 THR A 21 5.828 -5.677 6.006 1.00 2.03 H new ATOM 0 HG22 THR A 21 6.145 -5.581 4.257 1.00 2.03 H new ATOM 0 HG23 THR A 21 4.470 -5.605 4.858 1.00 2.03 H new ATOM 314 N CYS A 22 5.027 -6.689 1.579 1.00 2.00 N ATOM 315 CA CYS A 22 5.617 -5.929 0.489 1.00 2.88 C ATOM 316 C CYS A 22 5.856 -4.490 0.932 1.00 2.00 C ATOM 317 O CYS A 22 4.994 -3.818 1.493 1.00 4.11 O ATOM 318 CB CYS A 22 4.708 -5.914 -0.732 1.00 2.17 C ATOM 319 SG CYS A 22 4.197 -7.543 -1.309 1.00 3.26 S ATOM 0 H CYS A 22 4.010 -6.627 1.627 1.00 2.00 H new ATOM 0 HA CYS A 22 6.559 -6.409 0.224 1.00 2.88 H new ATOM 0 HB2 CYS A 22 3.818 -5.330 -0.498 1.00 2.17 H new ATOM 0 HB3 CYS A 22 5.222 -5.400 -1.545 1.00 2.17 H new ATOM 0 HG CYS A 22 3.426 -7.413 -2.348 1.00 3.26 H new ATOM 325 N VAL A 23 7.054 -4.005 0.682 1.00 2.00 N ATOM 326 CA VAL A 23 7.499 -2.694 1.143 1.00 2.00 C ATOM 327 C VAL A 23 7.613 -1.936 -0.159 1.00 2.00 C ATOM 328 O VAL A 23 8.465 -2.281 -1.000 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 -1.493 2.449 1.00 2.10 C ATOM 331 CG2 VAL A 23 8.794 -3.873 2.998 1.00 2.02 C ATOM 0 H VAL A 23 7.759 -4.511 0.147 1.00 2.00 H new ATOM 0 HA VAL A 23 6.842 -2.204 1.862 1.00 2.00 H new ATOM 0 HB VAL A 23 9.637 -3.166 1.151 1.00 2.16 H new ATOM 0 HG11 VAL A 23 10.315 -1.618 2.949 1.00 2.10 H new ATOM 0 HG12 VAL A 23 9.459 -0.771 1.639 1.00 2.10 H new ATOM 0 HG13 VAL A 23 8.618 -1.131 3.165 1.00 2.10 H new ATOM 0 HG21 VAL A 23 9.758 -3.965 3.499 1.00 2.02 H new ATOM 0 HG22 VAL A 23 8.039 -3.558 3.718 1.00 2.02 H new ATOM 0 HG23 VAL A 23 8.512 -4.837 2.575 1.00 2.02 H new ATOM 341 N VAL A 24 6.751 -0.947 -0.401 1.00 2.00 N ATOM 342 CA VAL A 24 6.723 -0.316 -1.703 1.00 2.26 C ATOM 343 C VAL A 24 6.789 1.198 -1.611 1.00 2.04 C ATOM 344 O VAL A 24 6.403 1.809 -0.604 1.00 2.00 O ATOM 345 CB VAL A 24 5.411 -0.665 -2.537 1.00 2.63 C ATOM 346 CG1 VAL A 24 5.254 -2.170 -2.727 1.00 3.59 C ATOM 347 CG2 VAL A 24 4.157 -0.122 -1.809 1.00 2.08 C ATOM 0 H VAL A 24 6.082 -0.579 0.275 1.00 2.00 H new ATOM 0 HA VAL A 24 7.604 -0.712 -2.209 1.00 2.26 H new ATOM 0 HB VAL A 24 5.512 -0.195 -3.515 1.00 2.63 H new ATOM 0 HG11 VAL A 24 4.349 -2.372 -3.300 1.00 3.59 H new ATOM 0 HG12 VAL A 24 6.118 -2.561 -3.264 1.00 3.59 H new ATOM 0 HG13 VAL A 24 5.182 -2.654 -1.753 1.00 3.59 H new ATOM 0 HG21 VAL A 24 3.266 -0.366 -2.388 1.00 2.08 H new ATOM 0 HG22 VAL A 24 4.084 -0.577 -0.821 1.00 2.08 H new ATOM 0 HG23 VAL A 24 4.237 0.960 -1.705 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 3.264 -2.734 1.00 2.12 C ATOM 359 C HIS A 25 5.978 3.436 -3.791 1.00 2.04 C ATOM 360 O HIS A 25 5.984 2.660 -4.747 1.00 2.00 O ATOM 361 CB HIS A 25 8.329 4.056 -3.109 1.00 2.00 C ATOM 362 CG HIS A 25 8.785 4.885 -1.899 1.00 2.20 C ATOM 363 ND1 HIS A 25 8.059 5.446 -0.946 1.00 2.09 N ATOM 364 CD2 HIS A 25 10.088 5.136 -1.559 1.00 2.98 C ATOM 365 CE1 HIS A 25 8.830 6.009 -0.059 1.00 2.00 C ATOM 366 NE2 HIS A 25 10.054 5.812 -0.437 1.00 2.07 N ATOM 0 H HIS A 25 7.819 1.430 -3.428 1.00 3.13 H new ATOM 0 HA HIS A 25 6.740 3.657 -1.765 1.00 2.12 H new ATOM 0 HB2 HIS A 25 9.119 3.369 -3.413 1.00 2.00 H new ATOM 0 HB3 HIS A 25 8.131 4.710 -3.958 1.00 2.00 H new ATOM 0 HD2 HIS A 25 10.969 4.836 -2.107 1.00 2.98 H new ATOM 0 HE1 HIS A 25 8.509 6.540 0.825 1.00 2.00 H new ATOM 0 HE2 HIS A 25 10.877 6.138 0.069 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 4.581 -4.690 1.00 2.00 C ATOM 377 C TYR A 26 3.664 6.056 -4.881 1.00 2.55 C ATOM 378 O TYR A 26 3.851 6.852 -3.943 1.00 2.00 O ATOM 379 CB TYR A 26 2.776 3.736 -4.328 1.00 2.00 C ATOM 380 CG TYR A 26 1.916 4.228 -3.173 1.00 2.00 C ATOM 381 CD1 TYR A 26 0.920 5.175 -3.428 1.00 2.38 C ATOM 382 CD2 TYR A 26 2.130 3.799 -1.872 1.00 2.00 C ATOM 383 CE1 TYR A 26 0.158 5.680 -2.387 1.00 2.00 C ATOM 384 CE2 TYR A 26 1.371 4.315 -0.817 1.00 2.00 C ATOM 385 CZ TYR A 26 0.388 5.254 -1.086 1.00 2.12 C ATOM 386 OH TYR A 26 -0.382 5.772 -0.061 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 4.460 4.229 -5.634 1.00 2.00 H new ATOM 0 HB2 TYR A 26 2.146 3.675 -5.216 1.00 2.00 H new ATOM 0 HB3 TYR A 26 3.101 2.721 -4.098 1.00 2.00 H new ATOM 0 HD1 TYR A 26 0.744 5.514 -4.438 1.00 2.38 H new ATOM 0 HD2 TYR A 26 2.891 3.059 -1.671 1.00 2.00 H new ATOM 0 HE1 TYR A 26 -0.616 6.406 -2.588 1.00 2.00 H new ATOM 0 HE2 TYR A 26 1.549 3.985 0.196 1.00 2.00 H new ATOM 0 HH TYR A 26 -0.561 6.720 -0.233 1.00 2.00 H new ATOM 396 N THR A 27 3.151 6.386 -6.068 1.00 2.38 N ATOM 397 CA THR A 27 2.491 7.660 -6.350 1.00 2.63 C ATOM 398 C THR A 27 1.235 7.235 -7.095 1.00 2.34 C ATOM 399 O THR A 27 1.311 6.479 -8.065 1.00 2.79 O ATOM 400 CB THR A 27 3.280 8.571 -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 3.184 5.763 -6.875 1.00 2.38 H new ATOM 0 HA THR A 27 2.338 8.221 -5.428 1.00 2.63 H new ATOM 0 HB THR A 27 3.463 8.087 -8.216 1.00 2.00 H new ATOM 0 HG1 THR A 27 5.052 9.454 -7.156 1.00 2.75 H new ATOM 0 HG21 THR A 27 3.105 10.484 -8.201 1.00 4.47 H new ATOM 0 HG22 THR A 27 1.570 9.600 -8.031 1.00 4.47 H new ATOM 0 HG23 THR A 27 2.315 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 -1.221 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 -1.797 9.577 -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 -1.108 6.435 -7.912 1.00 2.19 H new ATOM 0 HA3 GLY A 28 -1.933 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 -2.707 9.299 -10.065 1.00 2.53 C ATOM 419 C MET A 29 -4.010 8.808 -10.713 1.00 3.85 C ATOM 420 O MET A 29 -4.366 7.619 -10.793 1.00 5.17 O ATOM 421 CB MET A 29 -1.722 9.634 -11.187 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 0.895 10.015 -11.863 1.00 18.22 S ATOM 424 CE MET A 29 1.291 8.321 -11.525 1.00 4.93 C ATOM 0 H MET A 29 -2.148 7.356 -9.598 1.00 2.00 H new ATOM 0 HA MET A 29 -2.890 10.188 -9.462 1.00 2.53 H new ATOM 0 HB2 MET A 29 -1.494 8.728 -11.748 1.00 2.36 H new ATOM 0 HB3 MET A 29 -2.192 10.330 -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 -0.179 9.765 -9.727 1.00 3.29 H new ATOM 0 HE1 MET A 29 2.277 8.263 -11.064 1.00 4.93 H new ATOM 0 HE2 MET A 29 0.548 7.902 -10.847 1.00 4.93 H new ATOM 0 HE3 MET A 29 1.292 7.755 -12.456 1.00 4.93 H new ATOM 434 N LEU A 30 -4.809 9.809 -11.025 1.00 5.61 N ATOM 435 CA LEU A 30 -6.031 9.696 -11.780 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 -4.513 10.046 -13.602 1.00 2.13 O ATOM 438 CB LEU A 30 -6.833 10.938 -11.439 1.00 3.44 C ATOM 439 CG LEU A 30 -8.078 10.942 -10.539 1.00 5.20 C ATOM 440 CD1 LEU A 30 -8.183 9.694 -9.681 1.00 5.93 C ATOM 441 CD2 LEU A 30 -8.041 12.208 -9.748 1.00 5.88 C ATOM 0 H LEU A 30 -4.609 10.769 -10.743 1.00 5.61 H new ATOM 0 HA LEU A 30 -6.634 8.815 -11.559 1.00 2.23 H new ATOM 0 HB2 LEU A 30 -6.130 11.638 -10.988 1.00 3.44 H new ATOM 0 HB3 LEU A 30 -7.145 11.368 -12.391 1.00 3.44 H new ATOM 0 HG LEU A 30 -8.986 10.915 -11.142 1.00 5.20 H new ATOM 0 HD11 LEU A 30 -9.081 9.750 -9.065 1.00 5.93 H new ATOM 0 HD12 LEU A 30 -8.238 8.815 -10.323 1.00 5.93 H new ATOM 0 HD13 LEU A 30 -7.306 9.620 -9.038 1.00 5.93 H new ATOM 0 HD21 LEU A 30 -8.911 12.253 -9.092 1.00 5.88 H new ATOM 0 HD22 LEU A 30 -7.132 12.235 -9.147 1.00 5.88 H new ATOM 0 HD23 LEU A 30 -8.054 13.061 -10.426 1.00 5.88 H new ATOM 453 N GLU A 31 -6.460 9.227 -14.218 1.00 2.00 N ATOM 454 CA GLU A 31 -6.055 9.175 -15.620 1.00 3.38 C ATOM 455 C GLU A 31 -5.570 10.460 -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 7.181 -16.408 1.00 8.67 C ATOM 459 CD GLU A 31 -8.271 6.714 -17.471 1.00 12.33 C ATOM 460 OE1 GLU A 31 -9.463 7.072 -17.356 1.00 11.11 O ATOM 461 OE2 GLU A 31 -7.823 6.010 -18.393 1.00 11.97 O ATOM 0 H GLU A 31 -7.421 8.931 -14.049 1.00 2.00 H new ATOM 0 HA GLU A 31 -5.189 8.514 -15.601 1.00 3.38 H new ATOM 0 HB2 GLU A 31 -8.132 9.105 -16.083 1.00 6.39 H new ATOM 0 HB3 GLU A 31 -7.078 9.009 -17.480 1.00 6.39 H new ATOM 0 HG2 GLU A 31 -6.300 6.743 -16.588 1.00 8.67 H new ATOM 0 HG3 GLU A 31 -7.603 6.848 -15.421 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 -4.089 13.308 -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 -6.768 14.267 -14.478 1.00 4.69 C ATOM 474 OD1 ASP A 32 -6.221 13.611 -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 12.724 -17.299 1.00 2.22 H new ATOM 0 HB2 ASP A 32 -6.201 14.861 -16.440 1.00 2.07 H new ATOM 0 HB3 ASP A 32 -7.445 13.628 -16.390 1.00 2.07 H new ATOM 480 N GLY A 33 -3.410 12.475 -14.848 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 -2.175 13.404 -12.885 1.00 5.33 C ATOM 483 O GLY A 33 -1.196 13.584 -12.165 1.00 6.47 O ATOM 0 H GLY A 33 -3.765 11.562 -14.563 1.00 2.80 H new ATOM 0 HA2 GLY A 33 -1.502 11.889 -14.245 1.00 3.15 H new ATOM 0 HA3 GLY A 33 -1.593 13.492 -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 -11.097 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 12.298 -9.897 1.00 5.74 O ATOM 491 CB LYS A 34 -4.889 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 -5.292 15.590 -8.562 1.00 16.34 C ATOM 494 CE LYS A 34 -6.779 15.266 -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 13.667 -12.899 1.00 6.33 H new ATOM 0 HA LYS A 34 -2.763 15.203 -10.993 1.00 8.80 H new ATOM 0 HB2 LYS A 34 -5.280 15.171 -11.910 1.00 10.07 H new ATOM 0 HB3 LYS A 34 -5.523 14.044 -10.590 1.00 10.07 H new ATOM 0 HG2 LYS A 34 -3.980 16.502 -9.977 1.00 12.70 H new ATOM 0 HG3 LYS A 34 -5.682 16.718 -10.332 1.00 12.70 H new ATOM 0 HD2 LYS A 34 -4.703 14.723 -8.262 1.00 16.34 H new ATOM 0 HD3 LYS A 34 -5.050 16.395 -7.869 1.00 16.34 H new ATOM 0 HE2 LYS A 34 -7.021 14.508 -9.241 1.00 21.18 H new ATOM 0 HE3 LYS A 34 -7.017 14.842 -7.520 1.00 21.18 H new ATOM 0 HZ1 LYS A 34 -8.519 16.333 -8.262 1.00 21.86 H new ATOM 0 HZ2 LYS A 34 -7.115 17.285 -8.330 1.00 21.86 H new ATOM 0 HZ3 LYS A 34 -7.735 16.585 -9.747 1.00 21.86 H new ATOM 509 N LYS A 35 -2.134 13.729 -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 13.048 -6.968 1.00 5.68 C ATOM 512 O LYS A 35 -3.053 14.164 -6.595 1.00 6.91 O ATOM 513 CB LYS A 35 -0.306 13.470 -7.613 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 1.807 13.407 -6.178 1.00 14.32 C ATOM 516 CE LYS A 35 1.543 14.730 -5.416 1.00 15.27 C ATOM 517 NZ LYS A 35 2.772 15.452 -5.098 1.00 16.18 N ATOM 0 H LYS A 35 -1.654 14.625 -9.263 1.00 7.56 H new ATOM 0 HA LYS A 35 -1.538 11.886 -8.377 1.00 8.04 H new ATOM 0 HB2 LYS A 35 0.318 13.596 -8.498 1.00 8.72 H new ATOM 0 HB3 LYS A 35 -0.478 14.464 -7.200 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 -6.997 1.00 12.44 H new ATOM 0 HD2 LYS A 35 2.406 12.746 -5.552 1.00 14.32 H new ATOM 0 HD3 LYS A 35 2.395 13.619 -7.071 1.00 14.32 H new ATOM 0 HE2 LYS A 35 0.897 15.369 -6.018 1.00 15.27 H new ATOM 0 HE3 LYS A 35 1.005 14.512 -4.493 1.00 15.27 H new ATOM 0 HZ1 LYS A 35 2.542 16.433 -4.841 1.00 16.18 H new ATOM 0 HZ2 LYS A 35 3.250 14.988 -4.300 1.00 16.18 H new ATOM 0 HZ3 LYS A 35 3.400 15.450 -5.927 1.00 16.18 H new ATOM 531 N PHE A 36 -3.082 11.936 -6.402 1.00 3.94 N ATOM 532 CA PHE A 36 -3.946 12.021 -5.234 1.00 2.69 C ATOM 533 C PHE A 36 -3.191 11.619 -3.966 1.00 2.19 C ATOM 534 O PHE A 36 -3.653 11.894 -2.854 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 9.687 -5.837 1.00 4.03 C ATOM 537 CD1 PHE A 36 -4.793 8.711 -4.868 1.00 2.64 C ATOM 538 CD2 PHE A 36 -5.208 9.337 -7.177 1.00 5.73 C ATOM 539 CE1 PHE A 36 -4.729 7.385 -5.250 1.00 2.73 C ATOM 540 CE2 PHE A 36 -5.144 7.998 -7.532 1.00 4.29 C ATOM 541 CZ PHE A 36 -4.906 7.025 -6.576 1.00 3.77 C ATOM 0 H PHE A 36 -2.853 10.992 -6.714 1.00 3.94 H new ATOM 0 HA PHE A 36 -4.265 13.057 -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 -6.184 1.00 2.10 H new ATOM 0 HD1 PHE A 36 -4.656 8.989 -3.834 1.00 2.64 H new ATOM 0 HD2 PHE A 36 -5.387 10.096 -7.925 1.00 5.73 H new ATOM 0 HE1 PHE A 36 -4.539 6.623 -4.509 1.00 2.73 H new ATOM 0 HE2 PHE A 36 -5.281 7.711 -8.564 1.00 4.29 H new ATOM 0 HZ PHE A 36 -4.858 5.985 -6.864 1.00 3.77 H new ATOM 551 N ASP A 37 -2.058 10.928 -4.097 1.00 3.41 N ATOM 552 CA ASP A 37 -1.241 10.565 -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 0.128 9.433 -4.469 1.00 2.93 O ATOM 555 CB ASP A 37 -1.913 9.531 -1.994 1.00 2.05 C ATOM 556 CG ASP A 37 -1.196 9.475 -0.635 1.00 2.59 C ATOM 557 OD1 ASP A 37 -0.987 10.520 -0.028 1.00 6.13 O ATOM 558 OD2 ASP A 37 -0.792 8.420 -0.186 1.00 2.00 O ATOM 0 H ASP A 37 -1.683 10.609 -4.990 1.00 3.41 H new ATOM 0 HA ASP A 37 -1.103 11.500 -2.381 1.00 2.12 H new ATOM 0 HB2 ASP A 37 -2.961 9.793 -1.847 1.00 2.05 H new ATOM 0 HB3 ASP A 37 -1.893 8.547 -2.462 1.00 2.05 H new ATOM 563 N SER A 38 1.115 10.015 -2.516 1.00 2.00 N ATOM 564 CA SER A 38 2.446 9.460 -2.791 1.00 2.93 C ATOM 565 C SER A 38 3.206 9.243 -1.493 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 10.401 -3.676 1.00 2.08 C ATOM 568 OG SER A 38 4.541 9.798 -3.957 1.00 2.00 O ATOM 0 H SER A 38 1.052 10.469 -1.605 1.00 2.00 H new ATOM 0 HA SER A 38 2.292 8.515 -3.312 1.00 2.93 H new ATOM 0 HB2 SER A 38 2.755 10.611 -4.605 1.00 2.08 H new ATOM 0 HB3 SER A 38 3.433 11.355 -3.171 1.00 2.08 H new ATOM 0 HG SER A 38 4.539 9.449 -4.873 1.00 2.00 H new ATOM 574 N SER A 39 3.743 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 8.438 -0.318 1.00 2.10 C ATOM 577 O SER A 39 6.699 8.681 0.633 1.00 2.00 O ATOM 578 CB SER A 39 4.747 6.316 0.183 1.00 2.05 C ATOM 579 OG SER A 39 5.235 5.621 -0.957 1.00 2.24 O ATOM 0 H SER A 39 3.623 7.226 -1.889 1.00 2.00 H new ATOM 0 HA SER A 39 4.075 8.257 0.764 1.00 2.30 H new ATOM 0 HB2 SER A 39 5.438 6.180 1.015 1.00 2.05 H new ATOM 0 HB3 SER A 39 3.792 5.888 0.488 1.00 2.05 H new ATOM 0 HG SER A 39 6.214 5.595 -0.930 1.00 2.24 H new ATOM 585 N ARG A 40 6.293 8.668 -1.596 1.00 2.24 N ATOM 586 CA ARG A 40 7.554 9.274 -1.948 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 11.115 -0.784 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 7.919 7.901 -4.121 1.00 3.48 C ATOM 591 CD ARG A 40 8.354 7.864 -5.615 1.00 6.38 C ATOM 592 NE ARG A 40 8.384 6.505 -6.192 1.00 9.98 N ATOM 593 CZ ARG A 40 7.323 5.956 -6.839 1.00 10.55 C ATOM 594 NH1 ARG A 40 6.173 6.626 -6.991 1.00 10.41 N ATOM 595 NH2 ARG A 40 7.374 4.697 -7.346 1.00 10.02 N ATOM 0 H ARG A 40 5.702 8.436 -2.394 1.00 2.24 H new ATOM 0 HA ARG A 40 8.386 8.698 -1.544 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 -3.719 1.00 2.21 H new ATOM 0 HG2 ARG A 40 8.653 7.346 -3.537 1.00 3.48 H new ATOM 0 HG3 ARG A 40 6.971 7.371 -4.028 1.00 3.48 H new ATOM 0 HD2 ARG A 40 7.671 8.482 -6.198 1.00 6.38 H new ATOM 0 HD3 ARG A 40 9.344 8.310 -5.707 1.00 6.38 H new ATOM 0 HE ARG A 40 9.238 5.955 -6.101 1.00 9.98 H new ATOM 0 HH11 ARG A 40 6.080 7.570 -6.617 1.00 10.41 H new ATOM 0 HH12 ARG A 40 5.391 6.192 -7.481 1.00 10.41 H new ATOM 0 HH21 ARG A 40 8.223 4.141 -7.245 1.00 10.02 H new ATOM 0 HH22 ARG A 40 6.563 4.308 -7.828 1.00 10.02 H new ATOM 609 N ASP A 41 6.410 11.411 -1.343 1.00 5.39 N ATOM 610 CA ASP A 41 6.347 12.732 -0.712 1.00 4.46 C ATOM 611 C ASP A 41 6.509 12.618 0.808 1.00 4.66 C ATOM 612 O ASP A 41 6.982 13.561 1.442 1.00 5.88 O ATOM 613 CB ASP A 41 4.984 13.428 -1.036 1.00 4.98 C ATOM 614 CG ASP A 41 4.733 13.697 -2.514 1.00 5.60 C ATOM 615 OD1 ASP A 41 5.653 13.939 -3.295 1.00 7.25 O ATOM 616 OD2 ASP A 41 3.563 13.633 -2.896 1.00 8.02 O ATOM 0 H ASP A 41 5.532 11.097 -1.756 1.00 5.39 H new ATOM 0 HA ASP A 41 7.164 13.332 -1.112 1.00 4.46 H new ATOM 0 HB2 ASP A 41 4.175 12.805 -0.653 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 1.432 1.00 6.18 N ATOM 622 CA ARG A 42 6.335 11.335 2.856 1.00 6.28 C ATOM 623 C ARG A 42 7.704 10.712 3.173 1.00 6.35 C ATOM 624 O ARG A 42 8.161 10.699 4.326 1.00 4.86 O ATOM 625 CB ARG A 42 5.284 10.455 3.476 1.00 6.80 C ATOM 626 CG ARG A 42 3.889 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 2.628 8.659 3.463 1.00 9.14 N ATOM 629 CZ ARG A 42 1.773 8.322 2.488 1.00 9.65 C ATOM 630 NH1 ARG A 42 1.184 9.268 1.752 1.00 10.21 N ATOM 631 NH2 ARG A 42 1.574 7.039 2.193 1.00 8.82 N ATOM 0 H ARG A 42 5.660 10.714 0.973 1.00 6.18 H new ATOM 0 HA ARG A 42 6.286 12.341 3.274 1.00 6.28 H new ATOM 0 HB2 ARG A 42 5.449 9.422 3.168 1.00 6.80 H new ATOM 0 HB3 ARG A 42 5.382 10.483 4.561 1.00 6.80 H new ATOM 0 HG2 ARG A 42 3.743 11.933 3.316 1.00 8.27 H new ATOM 0 HG3 ARG A 42 3.751 10.761 2.013 1.00 8.27 H new ATOM 0 HD2 ARG A 42 3.153 10.039 4.889 1.00 6.41 H new ATOM 0 HD3 ARG A 42 1.909 10.557 3.769 1.00 6.41 H new ATOM 0 HE ARG A 42 3.129 7.920 3.957 1.00 9.14 H new ATOM 0 HH11 ARG A 42 1.384 10.252 1.931 1.00 10.21 H new ATOM 0 HH12 ARG A 42 0.534 9.007 1.011 1.00 10.21 H new ATOM 0 HH21 ARG A 42 2.072 6.314 2.709 1.00 8.82 H new ATOM 0 HH22 ARG A 42 0.923 6.781 1.451 1.00 8.82 H new ATOM 645 N ASN A 43 8.397 10.223 2.135 1.00 9.32 N ATOM 646 CA ASN A 43 9.700 9.601 2.248 1.00 9.05 C ATOM 647 C ASN A 43 9.659 8.416 3.225 1.00 10.05 C ATOM 648 O ASN A 43 10.585 8.119 3.951 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 12.092 10.205 2.616 1.00 14.48 C ATOM 651 OD1 ASN A 43 12.845 10.400 3.558 1.00 16.38 O ATOM 652 ND2 ASN A 43 12.629 9.626 1.549 1.00 15.17 N ATOM 0 H ASN A 43 8.049 10.255 1.177 1.00 9.32 H new ATOM 0 HA ASN A 43 10.025 9.180 1.297 1.00 9.05 H new ATOM 0 HB2 ASN A 43 10.542 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 9.372 1.550 1.00 15.17 H new ATOM 0 HD22 ASN A 43 12.054 9.435 0.729 1.00 15.17 H new ATOM 659 N LYS A 44 8.570 7.683 3.295 1.00 10.76 N ATOM 660 CA LYS A 44 8.475 6.524 4.161 1.00 10.17 C ATOM 661 C LYS A 44 7.716 5.492 3.314 1.00 8.67 C ATOM 662 O LYS A 44 6.660 5.838 2.750 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 7.660 5.874 6.546 1.00 15.25 C ATOM 665 CD LYS A 44 6.928 6.427 7.769 1.00 17.60 C ATOM 666 CE LYS A 44 6.520 5.316 8.763 1.00 19.28 C ATOM 667 NZ LYS A 44 5.454 4.472 8.236 1.00 20.21 N ATOM 0 H LYS A 44 7.725 7.871 2.755 1.00 10.76 H new ATOM 0 HA LYS A 44 9.424 6.104 4.493 1.00 10.17 H new ATOM 0 HB2 LYS A 44 8.205 7.841 5.847 1.00 13.81 H new ATOM 0 HB3 LYS A 44 6.707 7.236 5.169 1.00 13.81 H new ATOM 0 HG2 LYS A 44 7.146 4.988 6.173 1.00 15.25 H new ATOM 0 HG3 LYS A 44 8.668 5.565 6.823 1.00 15.25 H new ATOM 0 HD2 LYS A 44 7.568 7.148 8.277 1.00 17.60 H new ATOM 0 HD3 LYS A 44 6.037 6.965 7.444 1.00 17.60 H new ATOM 0 HE2 LYS A 44 7.389 4.700 8.994 1.00 19.28 H new ATOM 0 HE3 LYS A 44 6.193 5.770 9.699 1.00 19.28 H new ATOM 0 HZ1 LYS A 44 5.073 3.877 8.999 1.00 20.21 H new ATOM 0 HZ2 LYS A 44 4.695 5.070 7.852 1.00 20.21 H new ATOM 0 HZ3 LYS A 44 5.833 3.866 7.481 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 3.257 2.203 1.00 5.33 C ATOM 683 C PRO A 45 6.355 2.813 2.840 1.00 3.26 C ATOM 684 O PRO A 45 6.201 2.870 4.064 1.00 2.00 O ATOM 685 CB PRO A 45 8.626 2.098 2.129 1.00 4.54 C ATOM 686 CG PRO A 45 9.936 2.724 2.513 1.00 6.86 C ATOM 687 CD PRO A 45 9.573 3.798 3.533 1.00 6.96 C ATOM 0 HA PRO A 45 7.432 3.633 1.206 1.00 5.33 H new ATOM 0 HB2 PRO A 45 8.346 1.296 2.812 1.00 4.54 H new ATOM 0 HB3 PRO A 45 8.663 1.667 1.129 1.00 4.54 H new ATOM 0 HG2 PRO A 45 10.616 1.987 2.940 1.00 6.86 H new ATOM 0 HG3 PRO A 45 10.437 3.155 1.646 1.00 6.86 H new ATOM 0 HD2 PRO A 45 9.473 3.388 4.538 1.00 6.96 H new ATOM 0 HD3 PRO A 45 10.326 4.584 3.583 1.00 6.96 H new ATOM 695 N PHE A 46 5.429 2.342 2.001 1.00 3.06 N ATOM 696 CA PHE A 46 4.172 1.864 2.522 1.00 2.08 C ATOM 697 C PHE A 46 4.309 0.355 2.665 1.00 2.00 C ATOM 698 O PHE A 46 4.839 -0.278 1.757 1.00 2.00 O ATOM 699 CB PHE A 46 3.073 2.238 1.527 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 0.980 2.288 2.886 1.00 2.08 C ATOM 702 CD2 PHE A 46 1.191 0.657 1.158 1.00 2.08 C ATOM 703 CE1 PHE A 46 -0.267 1.795 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 -0.799 0.740 2.488 1.00 3.32 C ATOM 0 H PHE A 46 5.532 2.287 0.988 1.00 3.06 H new ATOM 0 HA PHE A 46 3.917 2.301 3.487 1.00 2.08 H new ATOM 0 HB2 PHE A 46 3.022 3.324 1.455 1.00 2.00 H new ATOM 0 HB3 PHE A 46 3.353 1.866 0.541 1.00 2.00 H new ATOM 0 HD1 PHE A 46 1.386 3.119 3.443 1.00 2.08 H new ATOM 0 HD2 PHE A 46 1.762 0.209 0.358 1.00 2.08 H new ATOM 0 HE1 PHE A 46 -0.838 2.245 3.984 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 -1.780 0.359 2.729 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 3.916 -1.717 3.850 1.00 3.08 C ATOM 717 C LYS A 47 2.525 -2.363 3.771 1.00 2.74 C ATOM 718 O LYS A 47 1.594 -1.824 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 -1.711 5.280 1.00 5.16 C ATOM 721 CD LYS A 47 6.607 -2.195 6.556 1.00 8.34 C ATOM 722 CE LYS A 47 8.068 -1.828 6.362 1.00 8.64 C ATOM 723 NZ LYS A 47 8.854 -2.083 7.562 1.00 10.62 N ATOM 0 H LYS A 47 3.396 0.204 4.527 1.00 2.00 H new ATOM 0 HA LYS A 47 4.541 -2.057 3.024 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 4.435 -3.202 5.315 1.00 2.52 H new ATOM 0 HG2 LYS A 47 6.494 -2.105 4.422 1.00 5.16 H new ATOM 0 HG3 LYS A 47 6.018 -0.624 5.229 1.00 5.16 H new ATOM 0 HD2 LYS A 47 6.184 -1.709 7.435 1.00 8.34 H new ATOM 0 HD3 LYS A 47 6.477 -3.269 6.692 1.00 8.34 H new ATOM 0 HE2 LYS A 47 8.479 -2.400 5.530 1.00 8.64 H new ATOM 0 HE3 LYS A 47 8.146 -0.774 6.094 1.00 8.64 H new ATOM 0 HZ1 LYS A 47 9.673 -1.442 7.583 1.00 10.62 H new ATOM 0 HZ2 LYS A 47 8.265 -1.920 8.404 1.00 10.62 H new ATOM 0 HZ3 LYS A 47 9.186 -3.069 7.557 1.00 10.62 H new ATOM 737 N PHE A 48 2.330 -3.463 3.044 1.00 2.00 N ATOM 738 CA PHE A 48 1.089 -4.209 3.152 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 -6.009 2.386 1.00 4.31 O ATOM 741 CB PHE A 48 0.095 -3.836 2.038 1.00 2.00 C ATOM 742 CG PHE A 48 0.412 -4.345 0.632 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 -0.216 -5.483 0.144 1.00 2.00 C ATOM 745 CE1 PHE A 48 1.559 -4.098 -1.434 1.00 2.00 C ATOM 746 CE2 PHE A 48 0.049 -5.926 -1.150 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 3.007 -3.848 2.385 1.00 2.00 H new ATOM 0 HA PHE A 48 0.610 -3.972 4.102 1.00 2.38 H new ATOM 0 HB2 PHE A 48 -0.889 -4.211 2.321 1.00 2.00 H new ATOM 0 HB3 PHE A 48 0.023 -2.749 1.997 1.00 2.00 H new ATOM 0 HD1 PHE A 48 1.795 -2.773 0.219 1.00 2.00 H new ATOM 0 HD2 PHE A 48 -0.911 -6.025 0.768 1.00 2.00 H new ATOM 0 HE1 PHE A 48 2.259 -3.556 -2.053 1.00 2.00 H new ATOM 0 HE2 PHE A 48 -0.438 -6.811 -1.533 1.00 2.00 H new ATOM 0 HZ PHE A 48 1.146 -5.557 -2.945 1.00 2.20 H new ATOM 757 N MET A 49 0.675 -6.602 3.670 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 -8.316 2.393 1.00 2.11 O ATOM 761 CB MET A 49 0.505 -8.809 4.790 1.00 2.17 C ATOM 762 CG MET A 49 0.272 -10.339 4.705 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 1.487 -10.460 7.169 1.00 2.40 C ATOM 0 H MET A 49 -0.078 -6.358 4.314 1.00 2.00 H new ATOM 0 HA MET A 49 1.888 -8.222 3.227 1.00 2.02 H new ATOM 0 HB2 MET A 49 1.315 -8.635 5.499 1.00 2.17 H new ATOM 0 HB3 MET A 49 -0.393 -8.359 5.214 1.00 2.17 H new ATOM 0 HG2 MET A 49 -0.652 -10.517 4.155 1.00 2.67 H new ATOM 0 HG3 MET A 49 1.080 -10.779 4.121 1.00 2.67 H new ATOM 0 HE1 MET A 49 1.774 -11.093 8.008 1.00 2.40 H new ATOM 0 HE2 MET A 49 2.340 -10.332 6.502 1.00 2.40 H new ATOM 0 HE3 MET A 49 1.168 -9.486 7.541 1.00 2.40 H new ATOM 774 N LEU A 50 0.582 -9.240 1.445 1.00 2.73 N ATOM 775 CA LEU A 50 -0.078 -9.868 0.345 1.00 2.85 C ATOM 776 C LEU A 50 -1.026 -10.944 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 -10.605 -0.597 1.00 2.20 C ATOM 779 CG LEU A 50 1.162 -10.238 -2.014 1.00 2.52 C ATOM 780 CD1 LEU A 50 1.517 -11.570 -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 1.594 -9.370 1.442 1.00 2.73 H new ATOM 0 HA LEU A 50 -0.580 -9.052 -0.175 1.00 2.85 H new ATOM 0 HB2 LEU A 50 1.848 -10.605 -0.094 1.00 2.20 H new ATOM 0 HB3 LEU A 50 0.535 -11.638 -0.622 1.00 2.20 H new ATOM 0 HG LEU A 50 1.944 -9.479 -2.047 1.00 2.52 H new ATOM 0 HD11 LEU A 50 1.741 -11.402 -3.732 1.00 2.96 H new ATOM 0 HD12 LEU A 50 2.388 -12.002 -2.187 1.00 2.96 H new ATOM 0 HD13 LEU A 50 0.674 -12.256 -2.592 1.00 2.96 H new ATOM 0 HD21 LEU A 50 0.305 -9.393 -3.761 1.00 2.66 H new ATOM 0 HD22 LEU A 50 -0.824 -10.329 -2.755 1.00 2.66 H new ATOM 0 HD23 LEU A 50 -0.297 -8.712 -2.231 1.00 2.66 H new ATOM 793 N GLY A 51 -2.272 -10.887 0.342 1.00 2.96 N ATOM 794 CA GLY A 51 -3.296 -11.872 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 -5.126 -12.225 2.101 1.00 4.95 O ATOM 0 H GLY A 51 -2.590 -10.138 -0.273 1.00 2.96 H new ATOM 0 HA2 GLY A 51 -3.963 -11.945 -0.234 1.00 2.36 H new ATOM 0 HA3 GLY A 51 -2.824 -12.847 0.746 1.00 2.36 H new ATOM 800 N LYS A 52 -3.792 -10.523 2.596 1.00 3.99 N ATOM 801 CA LYS A 52 -4.536 -10.209 3.783 1.00 4.41 C ATOM 802 C LYS A 52 -5.811 -9.390 3.539 1.00 6.54 C ATOM 803 O LYS A 52 -6.555 -9.100 4.466 1.00 6.39 O ATOM 804 CB LYS A 52 -3.629 -9.477 4.649 1.00 5.08 C ATOM 805 CG LYS A 52 -3.919 -9.559 6.134 1.00 4.53 C ATOM 806 CD LYS A 52 -2.997 -8.443 6.538 1.00 6.87 C ATOM 807 CE LYS A 52 -2.827 -8.378 7.978 1.00 7.65 C ATOM 808 NZ LYS A 52 -2.225 -7.101 8.302 1.00 10.26 N ATOM 0 H LYS A 52 -3.022 -9.886 2.390 1.00 3.99 H new ATOM 0 HA LYS A 52 -4.891 -11.140 4.226 1.00 4.41 H new ATOM 0 HB2 LYS A 52 -2.617 -9.844 4.476 1.00 5.08 H new ATOM 0 HB3 LYS A 52 -3.643 -8.428 4.353 1.00 5.08 H new ATOM 0 HG2 LYS A 52 -4.963 -9.370 6.383 1.00 4.53 H new ATOM 0 HG3 LYS A 52 -3.655 -10.520 6.575 1.00 4.53 H new ATOM 0 HD2 LYS A 52 -2.026 -8.584 6.064 1.00 6.87 H new ATOM 0 HD3 LYS A 52 -3.394 -7.495 6.176 1.00 6.87 H new ATOM 0 HE2 LYS A 52 -3.789 -8.484 8.480 1.00 7.65 H new ATOM 0 HE3 LYS A 52 -2.195 -9.196 8.324 1.00 7.65 H new ATOM 0 HZ1 LYS A 52 -2.353 -6.904 9.315 1.00 10.26 H new ATOM 0 HZ2 LYS A 52 -1.209 -7.130 8.080 1.00 10.26 H new ATOM 0 HZ3 LYS A 52 -2.680 -6.351 7.743 1.00 10.26 H new ATOM 822 N GLN A 53 -6.094 -8.988 2.306 1.00 5.52 N ATOM 823 CA GLN A 53 -7.282 -8.220 1.947 1.00 7.26 C ATOM 824 C GLN A 53 -7.330 -6.831 2.573 1.00 6.71 C ATOM 825 O GLN A 53 -8.380 -6.362 3.021 1.00 7.22 O ATOM 826 CB GLN A 53 -8.547 -8.959 2.354 1.00 6.90 C ATOM 827 CG GLN A 53 -8.846 -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 -10.631 3.014 1.00 7.07 O ATOM 830 NE2 GLN A 53 -9.517 -12.382 2.473 1.00 10.24 N ATOM 0 H GLN A 53 -5.491 -9.191 1.509 1.00 5.52 H new ATOM 0 HA GLN A 53 -7.224 -8.102 0.865 1.00 7.26 H new ATOM 0 HB2 GLN A 53 -8.482 -9.186 3.418 1.00 6.90 H new ATOM 0 HB3 GLN A 53 -9.393 -8.284 2.223 1.00 6.90 H new ATOM 0 HG2 GLN A 53 -9.279 -10.012 0.644 1.00 8.41 H new ATOM 0 HG3 GLN A 53 -7.923 -10.787 1.439 1.00 8.41 H new ATOM 0 HE21 GLN A 53 -8.696 -12.736 1.982 1.00 10.24 H new ATOM 0 HE22 GLN A 53 -10.114 -13.023 2.996 1.00 10.24 H new ATOM 839 N GLU A 54 -6.177 -6.161 2.631 1.00 3.31 N ATOM 840 CA GLU A 54 -6.169 -4.826 3.179 1.00 4.11 C ATOM 841 C GLU A 54 -5.819 -3.730 2.180 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 -5.221 -4.763 4.327 1.00 6.18 C ATOM 844 CG GLU A 54 -3.769 -5.101 3.990 1.00 7.49 C ATOM 845 CD GLU A 54 -2.855 -5.020 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 -1.658 -5.250 5.063 1.00 3.57 O ATOM 0 H GLU A 54 -5.274 -6.514 2.315 1.00 3.31 H new ATOM 0 HA GLU A 54 -7.194 -4.631 3.495 1.00 4.11 H new ATOM 0 HB2 GLU A 54 -5.255 -3.759 4.751 1.00 6.18 H new ATOM 0 HB3 GLU A 54 -5.567 -5.448 5.101 1.00 6.18 H new ATOM 0 HG2 GLU A 54 -3.722 -6.106 3.570 1.00 7.49 H new ATOM 0 HG3 GLU A 54 -3.409 -4.417 3.222 1.00 7.49 H new ATOM 854 N VAL A 55 -5.544 -4.079 0.935 1.00 2.00 N ATOM 855 CA VAL A 55 -5.365 -3.130 -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 -4.488 -1.172 1.00 2.43 O ATOM 858 CB VAL A 55 -3.925 -3.189 -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 -3.483 -4.618 -1.070 1.00 2.00 C ATOM 0 H VAL A 55 -5.437 -5.050 0.643 1.00 2.00 H new ATOM 0 HA VAL A 55 -5.522 -2.122 0.239 1.00 2.05 H new ATOM 0 HB VAL A 55 -3.860 -2.675 -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 0.434 1.00 2.03 H new ATOM 0 HG13 VAL A 55 -3.108 -3.037 1.248 1.00 2.03 H new ATOM 0 HG21 VAL A 55 -2.470 -4.599 -1.472 1.00 2.00 H new ATOM 0 HG22 VAL A 55 -3.505 -5.232 -0.170 1.00 2.00 H new ATOM 0 HG23 VAL A 55 -4.160 -5.039 -1.813 1.00 2.00 H new ATOM 870 N ILE A 56 -6.488 -2.618 -2.271 1.00 2.91 N ATOM 871 CA ILE A 56 -7.450 -2.845 -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 -4.218 1.00 4.27 C ATOM 875 CG1 ILE A 56 -6.355 -0.872 -4.662 1.00 5.57 C ATOM 876 CG2 ILE A 56 -8.488 -0.526 -3.391 1.00 3.68 C ATOM 877 CD1 ILE A 56 -6.470 0.202 -5.778 1.00 5.31 C ATOM 0 H ILE A 56 -5.921 -1.778 -2.385 1.00 2.91 H new ATOM 0 HA ILE A 56 -8.410 -3.086 -2.868 1.00 2.47 H new ATOM 0 HB ILE A 56 -8.190 -1.818 -5.130 1.00 4.27 H new ATOM 0 HG12 ILE A 56 -5.889 -0.413 -3.790 1.00 5.57 H new ATOM 0 HG13 ILE A 56 -5.681 -1.656 -5.008 1.00 5.57 H new ATOM 0 HG21 ILE A 56 -8.652 0.380 -3.974 1.00 3.68 H new ATOM 0 HG22 ILE A 56 -9.449 -0.969 -3.132 1.00 3.68 H new ATOM 0 HG23 ILE A 56 -7.945 -0.278 -2.479 1.00 3.68 H new ATOM 0 HD11 ILE A 56 -5.480 0.594 -6.009 1.00 5.31 H new ATOM 0 HD12 ILE A 56 -6.900 -0.248 -6.673 1.00 5.31 H new ATOM 0 HD13 ILE A 56 -7.111 1.015 -5.436 1.00 5.31 H new ATOM 889 N ARG A 57 -8.011 -4.699 -4.789 1.00 3.25 N ATOM 890 CA ARG A 57 -7.758 -5.906 -5.586 1.00 4.24 C ATOM 891 C ARG A 57 -6.768 -5.711 -6.733 1.00 2.00 C ATOM 892 O ARG A 57 -6.004 -6.617 -6.998 1.00 2.00 O ATOM 893 CB ARG A 57 -9.116 -6.439 -6.143 1.00 6.66 C ATOM 894 CG ARG A 57 -8.969 -7.725 -6.942 1.00 10.53 C ATOM 895 CD ARG A 57 -10.274 -8.322 -7.475 1.00 14.34 C ATOM 896 NE ARG A 57 -9.855 -9.522 -8.210 1.00 15.24 N ATOM 897 CZ ARG A 57 -10.645 -10.298 -8.970 1.00 17.74 C ATOM 898 NH1 ARG A 57 -11.960 -10.078 -9.148 1.00 18.93 N ATOM 899 NH2 ARG A 57 -10.063 -11.347 -9.575 1.00 19.11 N ATOM 0 H ARG A 57 -8.992 -4.426 -4.731 1.00 3.25 H new ATOM 0 HA ARG A 57 -7.291 -6.628 -4.916 1.00 4.24 H new ATOM 0 HB2 ARG A 57 -9.800 -6.611 -5.312 1.00 6.66 H new ATOM 0 HB3 ARG A 57 -9.568 -5.675 -6.776 1.00 6.66 H new ATOM 0 HG2 ARG A 57 -8.306 -7.534 -7.786 1.00 10.53 H new ATOM 0 HG3 ARG A 57 -8.479 -8.469 -6.313 1.00 10.53 H new ATOM 0 HD2 ARG A 57 -10.957 -8.572 -6.663 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 -8.137 1.00 15.24 H new ATOM 0 HH11 ARG A 57 -12.411 -9.284 -8.692 1.00 18.93 H new ATOM 0 HH12 ARG A 57 -12.507 -10.705 -9.739 1.00 18.93 H new ATOM 0 HH21 ARG A 57 -9.066 -11.522 -9.446 1.00 19.11 H new ATOM 0 HH22 ARG A 57 -10.618 -11.968 -10.164 1.00 19.11 H new ATOM 913 N GLY A 58 -6.691 -4.601 -7.441 1.00 2.00 N ATOM 914 CA GLY A 58 -5.708 -4.428 -8.490 1.00 2.00 C ATOM 915 C GLY A 58 -4.270 -4.378 -7.943 1.00 2.93 C ATOM 916 O GLY A 58 -3.329 -4.660 -8.706 1.00 2.06 O ATOM 0 H GLY A 58 -7.305 -3.798 -7.306 1.00 2.00 H new ATOM 0 HA2 GLY A 58 -5.794 -5.247 -9.204 1.00 2.00 H new ATOM 0 HA3 GLY A 58 -5.919 -3.507 -9.034 1.00 2.00 H new ATOM 920 N TRP A 59 -4.081 -4.016 -6.653 1.00 2.66 N ATOM 921 CA TRP A 59 -2.763 -4.074 -5.988 1.00 2.01 C ATOM 922 C TRP A 59 -2.359 -5.522 -5.654 1.00 4.56 C ATOM 923 O TRP A 59 -1.292 -5.989 -6.107 1.00 3.85 O ATOM 924 CB TRP A 59 -2.777 -3.230 -4.694 1.00 2.42 C ATOM 925 CG TRP A 59 -2.218 -1.834 -4.933 1.00 3.74 C ATOM 926 CD1 TRP A 59 -2.751 -0.972 -5.876 1.00 2.71 C ATOM 927 CD2 TRP A 59 -1.123 -1.285 -4.286 1.00 5.38 C ATOM 928 NE1 TRP A 59 -1.992 0.105 -5.823 1.00 4.59 N ATOM 929 CE2 TRP A 59 -1.017 -0.042 -4.898 1.00 4.49 C ATOM 930 CE3 TRP A 59 -0.236 -1.688 -3.289 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 0.417 -3.530 1.00 7.96 C ATOM 0 H TRP A 59 -4.832 -3.679 -6.050 1.00 2.66 H new ATOM 0 HA TRP A 59 -2.029 -3.666 -6.683 1.00 2.01 H new ATOM 0 HB2 TRP A 59 -3.797 -3.155 -4.318 1.00 2.42 H new ATOM 0 HB3 TRP A 59 -2.190 -3.732 -3.925 1.00 2.42 H new ATOM 0 HD1 TRP A 59 -3.604 -1.144 -6.516 1.00 2.71 H new ATOM 0 HE1 TRP A 59 -2.123 0.935 -6.401 1.00 4.59 H new ATOM 0 HE3 TRP A 59 -0.330 -2.656 -2.820 1.00 4.69 H new ATOM 0 HZ2 TRP A 59 0.078 1.797 -4.985 1.00 6.46 H new ATOM 0 HZ3 TRP A 59 1.461 -1.107 -2.154 1.00 6.70 H new ATOM 0 HH2 TRP A 59 1.653 1.085 -3.223 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 -4.667 1.00 6.47 C ATOM 946 C GLU A 60 -2.539 -8.472 -5.946 1.00 6.41 C ATOM 947 O GLU A 60 -1.632 -9.328 -5.995 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 -8.400 -1.566 1.00 14.08 C ATOM 951 OE1 GLU A 60 -3.189 -8.317 -1.356 1.00 15.05 O ATOM 952 OE2 GLU A 60 -5.171 -8.816 -0.706 1.00 12.54 O ATOM 0 H GLU A 60 -4.050 -5.942 -4.505 1.00 5.21 H new ATOM 0 HA GLU A 60 -2.168 -7.741 -3.909 1.00 6.47 H new ATOM 0 HB2 GLU A 60 -4.937 -8.474 -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 -4.935 -6.863 -2.953 1.00 12.19 H new ATOM 0 HG3 GLU A 60 -5.988 -8.264 -2.987 1.00 12.19 H new ATOM 959 N GLU A 61 -3.265 -8.168 -7.024 1.00 5.65 N ATOM 960 CA GLU A 61 -3.001 -8.784 -8.317 1.00 6.52 C ATOM 961 C GLU A 61 -1.822 -8.194 -9.048 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 -4.231 -8.654 -9.207 1.00 9.22 C ATOM 964 CG GLU A 61 -5.481 -9.268 -8.557 1.00 14.36 C ATOM 965 CD GLU A 61 -5.976 -10.545 -9.226 1.00 19.08 C ATOM 966 OE1 GLU A 61 -5.368 -11.588 -8.991 1.00 20.27 O ATOM 967 OE2 GLU A 61 -6.936 -10.475 -9.999 1.00 17.50 O ATOM 0 H GLU A 61 -4.037 -7.501 -7.023 1.00 5.65 H new ATOM 0 HA GLU A 61 -2.762 -9.827 -8.107 1.00 6.52 H new ATOM 0 HB2 GLU A 61 -4.414 -7.601 -9.421 1.00 9.22 H new ATOM 0 HB3 GLU A 61 -4.041 -9.145 -10.162 1.00 9.22 H new ATOM 0 HG2 GLU A 61 -5.264 -9.481 -7.510 1.00 14.36 H new ATOM 0 HG3 GLU A 61 -6.283 -8.530 -8.572 1.00 14.36 H new ATOM 974 N GLY A 62 -1.585 -6.890 -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 -6.410 -9.095 1.00 2.26 C ATOM 977 O GLY A 62 1.840 -6.752 -9.758 1.00 4.04 O ATOM 0 H GLY A 62 -2.101 -6.249 -8.336 1.00 2.00 H new ATOM 0 HA2 GLY A 62 -0.513 -6.767 -10.695 1.00 2.02 H new ATOM 0 HA3 GLY A 62 -0.761 -5.244 -9.865 1.00 2.02 H new ATOM 981 N VAL A 63 0.929 -6.123 -7.813 1.00 2.35 N ATOM 982 CA VAL A 63 2.207 -6.200 -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 3.870 -7.958 -7.191 1.00 2.43 O ATOM 985 CB VAL A 63 2.074 -5.507 -5.774 1.00 3.21 C ATOM 986 CG1 VAL A 63 3.412 -5.649 -5.053 1.00 2.73 C ATOM 987 CG2 VAL A 63 1.856 -3.969 -5.901 1.00 5.35 C ATOM 0 H VAL A 63 0.151 -5.842 -7.216 1.00 2.35 H new ATOM 0 HA VAL A 63 2.988 -5.675 -7.719 1.00 3.82 H new ATOM 0 HB VAL A 63 1.231 -5.969 -5.260 1.00 3.21 H new ATOM 0 HG11 VAL A 63 3.350 -5.174 -4.074 1.00 2.73 H new ATOM 0 HG12 VAL A 63 3.648 -6.706 -4.929 1.00 2.73 H new ATOM 0 HG13 VAL A 63 4.195 -5.169 -5.640 1.00 2.73 H new ATOM 0 HG21 VAL A 63 1.769 -3.531 -4.907 1.00 5.35 H new ATOM 0 HG22 VAL A 63 2.704 -3.523 -6.421 1.00 5.35 H new ATOM 0 HG23 VAL A 63 0.943 -3.776 -6.464 1.00 5.35 H new ATOM 997 N ALA A 64 1.779 -8.681 -7.098 1.00 2.32 N ATOM 998 CA ALA A 64 2.202 -10.070 -7.125 1.00 2.00 C ATOM 999 C ALA A 64 2.927 -10.432 -8.419 1.00 2.06 C ATOM 1000 O ALA A 64 3.704 -11.383 -8.469 1.00 3.03 O ATOM 1001 CB ALA A 64 1.030 -11.004 -7.001 1.00 2.22 C ATOM 0 H ALA A 64 0.768 -8.547 -7.067 1.00 2.32 H new ATOM 0 HA ALA A 64 2.878 -10.182 -6.278 1.00 2.00 H new ATOM 0 HB1 ALA A 64 1.382 -12.035 -7.025 1.00 2.22 H new ATOM 0 HB2 ALA A 64 0.515 -10.818 -6.059 1.00 2.22 H new ATOM 0 HB3 ALA A 64 0.342 -10.837 -7.830 1.00 2.22 H new ATOM 1007 N GLN A 65 2.741 -9.614 -9.465 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 4.801 -9.151 -10.722 1.00 2.00 C ATOM 1010 O GLN A 65 5.473 -9.232 -11.734 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 1.439 -10.136 -12.154 1.00 2.09 C ATOM 1013 CD GLN A 65 0.507 -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 -8.992 -12.810 1.00 2.33 N ATOM 0 H GLN A 65 2.100 -8.821 -9.452 1.00 2.11 H new ATOM 0 HA GLN A 65 3.570 -10.859 -10.848 1.00 2.06 H new ATOM 0 HB2 GLN A 65 2.262 -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 1.813 -11.092 -12.520 1.00 2.09 H new ATOM 0 HG3 GLN A 65 0.886 -10.339 -11.237 1.00 2.09 H new ATOM 0 HE21 GLN A 65 -0.924 -9.049 -11.832 1.00 2.33 H new ATOM 0 HE22 GLN A 65 -1.240 -8.530 -13.491 1.00 2.33 H new ATOM 1024 N MET A 66 5.258 -8.518 -9.655 1.00 2.34 N ATOM 1025 CA MET A 66 6.485 -7.751 -9.689 1.00 2.31 C ATOM 1026 C MET A 66 7.563 -8.487 -8.927 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 -9.050 1.00 2.00 C ATOM 1029 CG MET A 66 5.240 -5.575 -9.783 1.00 2.45 C ATOM 1030 SD MET A 66 4.867 -3.980 -8.997 1.00 3.75 S ATOM 1031 CE MET A 66 6.489 -3.216 -9.147 1.00 2.08 C ATOM 0 H MET A 66 4.791 -8.523 -8.748 1.00 2.34 H new ATOM 0 HA MET A 66 6.767 -7.620 -10.734 1.00 2.31 H new ATOM 0 HB2 MET A 66 6.008 -6.526 -8.007 1.00 2.00 H new ATOM 0 HB3 MET A 66 7.248 -5.862 -9.053 1.00 2.00 H new ATOM 0 HG2 MET A 66 5.577 -5.395 -10.804 1.00 2.45 H new ATOM 0 HG3 MET A 66 4.322 -6.159 -9.849 1.00 2.45 H new ATOM 0 HE1 MET A 66 6.374 -2.169 -9.427 1.00 2.08 H new ATOM 0 HE2 MET A 66 7.011 -3.281 -8.193 1.00 2.08 H new ATOM 0 HE3 MET A 66 7.066 -3.735 -9.912 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 -8.965 -8.741 1.00 2.08 C ATOM 1043 C SER A 67 10.646 -7.873 -7.919 1.00 2.00 C ATOM 1044 O SER A 67 10.526 -6.698 -8.275 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 -10.901 1.00 2.05 O ATOM 0 H SER A 67 9.023 -7.974 -10.307 1.00 2.30 H new ATOM 0 HA SER A 67 9.666 -9.766 -8.066 1.00 2.08 H new ATOM 0 HB2 SER A 67 11.863 -9.733 -9.288 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 -11.712 1.00 2.05 H new ATOM 1052 N VAL A 68 11.383 -8.201 -6.871 1.00 2.00 N ATOM 1053 CA VAL A 68 12.051 -7.203 -6.057 1.00 2.47 C ATOM 1054 C VAL A 68 12.980 -6.371 -6.923 1.00 2.15 C ATOM 1055 O VAL A 68 13.735 -6.889 -7.756 1.00 2.01 O ATOM 1056 CB VAL A 68 12.836 -7.900 -4.912 1.00 2.10 C ATOM 1057 CG1 VAL A 68 13.653 -6.894 -4.088 1.00 2.14 C ATOM 1058 CG2 VAL A 68 11.834 -8.649 -4.091 1.00 2.00 C ATOM 0 H VAL A 68 11.534 -9.162 -6.563 1.00 2.00 H new ATOM 0 HA VAL A 68 11.310 -6.539 -5.612 1.00 2.47 H new ATOM 0 HB VAL A 68 13.575 -8.594 -5.312 1.00 2.10 H new ATOM 0 HG11 VAL A 68 14.188 -7.420 -3.297 1.00 2.14 H new ATOM 0 HG12 VAL A 68 14.369 -6.389 -4.736 1.00 2.14 H new ATOM 0 HG13 VAL A 68 12.983 -6.157 -3.645 1.00 2.14 H new ATOM 0 HG21 VAL A 68 12.342 -9.157 -3.271 1.00 2.00 H new ATOM 0 HG22 VAL A 68 11.100 -7.951 -3.687 1.00 2.00 H new ATOM 0 HG23 VAL A 68 11.329 -9.385 -4.716 1.00 2.00 H new ATOM 1068 N GLY A 69 12.819 -5.062 -6.760 1.00 2.40 N ATOM 1069 CA GLY A 69 13.585 -4.056 -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 13.248 -2.348 -9.099 1.00 2.61 O ATOM 0 H GLY A 69 12.130 -4.669 -6.119 1.00 2.40 H new ATOM 0 HA2 GLY A 69 13.912 -3.299 -6.743 1.00 2.09 H new ATOM 0 HA3 GLY A 69 14.484 -4.513 -7.869 1.00 2.09 H new ATOM 1075 N GLN A 70 11.648 -3.948 -8.955 1.00 2.82 N ATOM 1076 CA GLN A 70 10.966 -3.473 -10.116 1.00 2.29 C ATOM 1077 C GLN A 70 10.095 -2.287 -9.828 1.00 2.00 C ATOM 1078 O GLN A 70 9.586 -2.111 -8.730 1.00 2.00 O ATOM 1079 CB GLN A 70 10.183 -4.611 -10.671 1.00 4.50 C ATOM 1080 CG GLN A 70 9.684 -4.384 -12.082 1.00 5.27 C ATOM 1081 CD GLN A 70 8.741 -5.488 -12.578 1.00 4.45 C ATOM 1082 OE1 GLN A 70 8.034 -5.347 -13.583 1.00 6.53 O ATOM 1083 NE2 GLN A 70 8.715 -6.649 -11.951 1.00 2.24 N ATOM 0 H GLN A 70 11.190 -4.718 -8.468 1.00 2.82 H new ATOM 0 HA GLN A 70 11.693 -3.119 -10.847 1.00 2.29 H new ATOM 0 HB2 GLN A 70 10.803 -5.507 -10.656 1.00 4.50 H new ATOM 0 HB3 GLN A 70 9.329 -4.803 -10.021 1.00 4.50 H new ATOM 0 HG2 GLN A 70 9.166 -3.426 -12.127 1.00 5.27 H new ATOM 0 HG3 GLN A 70 10.538 -4.316 -12.755 1.00 5.27 H new ATOM 0 HE21 GLN A 70 9.288 -6.793 -11.120 1.00 2.24 H new ATOM 0 HE22 GLN A 70 8.122 -7.403 -12.298 1.00 2.24 H new ATOM 1092 N ARG A 71 10.051 -1.408 -10.820 1.00 4.23 N ATOM 1093 CA ARG A 71 9.249 -0.185 -10.772 1.00 3.45 C ATOM 1094 C ARG A 71 8.383 -0.307 -12.008 1.00 2.00 C ATOM 1095 O ARG A 71 8.894 -0.624 -13.093 1.00 2.00 O ATOM 1096 CB ARG A 71 10.127 1.061 -10.842 1.00 2.11 C ATOM 1097 CG ARG A 71 9.240 2.333 -10.797 1.00 5.11 C ATOM 1098 CD ARG A 71 10.069 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 9.837 5.894 -10.020 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 6.974 -10.168 1.00 12.36 N ATOM 0 H ARG A 71 10.573 -1.521 -11.689 1.00 4.23 H new ATOM 0 HA ARG A 71 8.680 -0.082 -9.848 1.00 3.45 H new ATOM 0 HB2 ARG A 71 10.831 1.068 -10.010 1.00 2.11 H new ATOM 0 HB3 ARG A 71 10.717 1.050 -11.759 1.00 2.11 H new ATOM 0 HG2 ARG A 71 8.867 2.569 -11.794 1.00 5.11 H new ATOM 0 HG3 ARG A 71 8.370 2.165 -10.163 1.00 5.11 H new ATOM 0 HD2 ARG A 71 10.314 3.311 -9.210 1.00 8.54 H new ATOM 0 HD3 ARG A 71 11.013 3.552 -10.799 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 5.169 -9.359 1.00 12.09 H new ATOM 0 HH12 ARG A 71 11.438 6.916 -9.207 1.00 12.09 H new ATOM 0 HH21 ARG A 71 8.132 6.884 -10.557 1.00 12.36 H new ATOM 0 HH22 ARG A 71 9.423 7.891 -9.892 1.00 12.36 H new ATOM 1116 N ALA A 72 7.078 -0.235 -11.738 1.00 2.87 N ATOM 1117 CA ALA A 72 6.049 -0.394 -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 4.569 1.051 -11.471 1.00 5.84 O ATOM 1120 CB ALA A 72 5.551 -1.828 -12.777 1.00 2.19 C ATOM 0 H ALA A 72 6.710 -0.063 -10.802 1.00 2.87 H new ATOM 0 HA ALA A 72 6.531 -0.115 -13.687 1.00 2.85 H new ATOM 0 HB1 ALA A 72 4.780 -1.931 -13.541 1.00 2.19 H new ATOM 0 HB2 ALA A 72 6.380 -2.497 -13.006 1.00 2.19 H new ATOM 0 HB3 ALA A 72 5.134 -2.087 -11.804 1.00 2.19 H new ATOM 1126 N LYS A 73 4.127 0.766 -13.651 1.00 5.73 N ATOM 1127 CA LYS A 73 2.885 1.516 -13.650 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 1.590 -0.289 -14.643 1.00 4.43 O ATOM 1130 CB LYS A 73 2.941 2.433 -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 -16.440 1.00 11.07 C ATOM 1133 CE LYS A 73 0.968 4.802 -16.944 1.00 14.75 C ATOM 1134 NZ LYS A 73 1.063 4.916 -18.411 1.00 16.57 N ATOM 0 H LYS A 73 4.406 0.445 -14.578 1.00 5.73 H new ATOM 0 HA LYS A 73 2.744 2.106 -12.744 1.00 4.79 H new ATOM 0 HB2 LYS A 73 3.854 3.025 -14.765 1.00 7.22 H new ATOM 0 HB3 LYS A 73 3.026 1.822 -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 -16.516 1.00 11.07 H new ATOM 0 HD3 LYS A 73 2.000 2.951 -17.087 1.00 11.07 H new ATOM 0 HE2 LYS A 73 -0.031 4.470 -16.660 1.00 14.75 H new ATOM 0 HE3 LYS A 73 1.122 5.778 -16.484 1.00 14.75 H new ATOM 0 HZ1 LYS A 73 0.258 5.468 -18.769 1.00 16.57 H new ATOM 0 HZ2 LYS A 73 1.951 5.394 -18.665 1.00 16.57 H new ATOM 0 HZ3 LYS A 73 1.047 3.966 -18.835 1.00 16.57 H new ATOM 1148 N LEU A 74 0.820 0.567 -12.770 1.00 5.22 N ATOM 1149 CA LEU A 74 -0.290 -0.349 -12.689 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 -1.837 1.412 -12.400 1.00 4.92 O ATOM 1152 CB LEU A 74 -0.303 -0.843 -11.231 1.00 5.27 C ATOM 1153 CG LEU A 74 0.317 -2.216 -10.814 1.00 5.86 C ATOM 1154 CD1 LEU A 74 1.592 -2.534 -11.596 1.00 2.84 C ATOM 1155 CD2 LEU A 74 0.473 -2.171 -9.298 1.00 5.61 C ATOM 0 H LEU A 74 0.843 1.248 -12.011 1.00 5.22 H new ATOM 0 HA LEU A 74 -0.232 -1.216 -13.347 1.00 4.39 H new ATOM 0 HB2 LEU A 74 0.198 -0.079 -10.636 1.00 5.27 H new ATOM 0 HB3 LEU A 74 -1.346 -0.861 -10.915 1.00 5.27 H new ATOM 0 HG LEU A 74 -0.329 -3.055 -11.073 1.00 5.86 H new ATOM 0 HD11 LEU A 74 1.987 -3.497 -11.272 1.00 2.84 H new ATOM 0 HD12 LEU A 74 1.365 -2.574 -12.661 1.00 2.84 H new ATOM 0 HD13 LEU A 74 2.335 -1.757 -11.413 1.00 2.84 H new ATOM 0 HD21 LEU A 74 0.904 -3.109 -8.949 1.00 5.61 H new ATOM 0 HD22 LEU A 74 1.130 -1.346 -9.024 1.00 5.61 H new ATOM 0 HD23 LEU A 74 -0.503 -2.026 -8.836 1.00 5.61 H new ATOM 1167 N THR A 75 -2.210 0.128 -14.195 1.00 2.21 N ATOM 1168 CA THR A 75 -3.464 0.826 -14.543 1.00 3.18 C ATOM 1169 C THR A 75 -4.605 -0.105 -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 -2.308 1.822 -16.330 1.00 5.76 O ATOM 1173 CG2 THR A 75 -4.714 1.765 -16.573 1.00 3.49 C ATOM 0 H THR A 75 -1.924 -0.586 -14.865 1.00 2.21 H new ATOM 0 HA THR A 75 -3.573 1.799 -14.064 1.00 3.18 H new ATOM 0 HB THR A 75 -3.485 0.108 -16.593 1.00 4.54 H new ATOM 0 HG1 THR A 75 -1.561 1.218 -16.525 1.00 5.76 H new ATOM 0 HG21 THR A 75 -4.644 1.893 -17.653 1.00 3.49 H new ATOM 0 HG22 THR A 75 -5.594 1.167 -16.335 1.00 3.49 H new ATOM 0 HG23 THR A 75 -4.799 2.742 -16.096 1.00 3.49 H new ATOM 1181 N ILE A 76 -5.467 0.372 -13.181 1.00 2.00 N ATOM 1182 CA ILE A 76 -6.421 -0.456 -12.477 1.00 2.17 C ATOM 1183 C ILE A 76 -7.836 0.037 -12.803 1.00 2.90 C ATOM 1184 O ILE A 76 -8.145 1.228 -12.600 1.00 3.36 O ATOM 1185 CB ILE A 76 -6.164 -0.335 -10.951 1.00 2.04 C ATOM 1186 CG1 ILE A 76 -4.702 -0.652 -10.651 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 -4.297 -0.515 -9.187 1.00 2.00 C ATOM 0 H ILE A 76 -5.514 1.358 -12.923 1.00 2.00 H new ATOM 0 HA ILE A 76 -6.317 -1.498 -12.781 1.00 2.17 H new ATOM 0 HB ILE A 76 -6.332 0.688 -10.613 1.00 2.04 H new ATOM 0 HG12 ILE A 76 -4.494 -1.671 -10.976 1.00 2.00 H new ATOM 0 HG13 ILE A 76 -4.073 0.008 -11.249 1.00 2.00 H new ATOM 0 HG21 ILE A 76 -6.965 -1.097 -9.114 1.00 2.00 H new ATOM 0 HG22 ILE A 76 -8.170 -0.856 -10.401 1.00 2.00 H new ATOM 0 HG23 ILE A 76 -7.046 -2.232 -10.482 1.00 2.00 H new ATOM 0 HD11 ILE A 76 -3.241 -0.761 -9.077 1.00 2.00 H new ATOM 0 HD12 ILE A 76 -4.467 0.510 -8.857 1.00 2.00 H new ATOM 0 HD13 ILE A 76 -4.893 -1.195 -8.579 1.00 2.00 H new ATOM 1200 N SER A 77 -8.671 -0.861 -13.340 1.00 2.00 N ATOM 1201 CA SER A 77 -10.056 -0.538 -13.645 1.00 2.58 C ATOM 1202 C SER A 77 -10.841 -0.274 -12.364 1.00 3.63 C ATOM 1203 O SER A 77 -10.538 -0.926 -11.350 1.00 2.11 O ATOM 1204 CB SER A 77 -10.728 -1.699 -14.392 1.00 2.42 C ATOM 1205 OG SER A 77 -10.818 -2.946 -13.674 1.00 4.94 O ATOM 0 H SER A 77 -8.403 -1.818 -13.570 1.00 2.00 H new ATOM 0 HA SER A 77 -10.056 0.355 -14.270 1.00 2.58 H new ATOM 0 HB2 SER A 77 -11.735 -1.390 -14.671 1.00 2.42 H new ATOM 0 HB3 SER A 77 -10.180 -1.875 -15.318 1.00 2.42 H new ATOM 0 HG SER A 77 -11.703 -3.342 -13.817 1.00 4.94 H new ATOM 1211 N PRO A 78 -11.932 0.512 -12.352 1.00 2.00 N ATOM 1212 CA PRO A 78 -12.678 0.815 -11.151 1.00 2.12 C ATOM 1213 C PRO A 78 -13.164 -0.390 -10.386 1.00 2.38 C ATOM 1214 O PRO A 78 -13.132 -0.364 -9.153 1.00 6.21 O ATOM 1215 CB PRO A 78 -13.835 1.744 -11.590 1.00 2.04 C ATOM 1216 CG PRO A 78 -13.789 1.754 -13.109 1.00 2.00 C ATOM 1217 CD PRO A 78 -12.374 1.344 -13.472 1.00 2.04 C ATOM 0 HA PRO A 78 -12.020 1.300 -10.430 1.00 2.12 H new ATOM 0 HB2 PRO A 78 -14.795 1.375 -11.228 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 -14.025 2.743 -13.503 1.00 2.00 H new ATOM 0 HD2 PRO A 78 -12.350 0.790 -14.411 1.00 2.04 H new ATOM 0 HD3 PRO A 78 -11.729 2.214 -13.598 1.00 2.04 H new ATOM 1225 N ASP A 79 -13.537 -1.466 -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 -12.955 -3.392 -9.612 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 -3.597 -11.416 1.00 8.82 C ATOM 1230 CG ASP A 79 -13.870 -4.222 -12.511 1.00 12.39 C ATOM 1231 OD1 ASP A 79 -13.444 -3.516 -13.421 1.00 14.22 O ATOM 1232 OD2 ASP A 79 -13.643 -5.439 -12.469 1.00 15.85 O ATOM 0 H ASP A 79 -13.507 -1.541 -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 -15.176 -4.408 -10.853 1.00 8.82 H new ATOM 0 HB3 ASP A 79 -15.518 -3.042 -11.897 1.00 8.82 H new ATOM 1237 N TYR A 80 -11.683 -3.051 -9.890 1.00 5.54 N ATOM 1238 CA TYR A 80 -10.497 -3.555 -9.224 1.00 5.25 C ATOM 1239 C TYR A 80 -9.923 -2.544 -8.258 1.00 3.95 C ATOM 1240 O TYR A 80 -8.806 -2.671 -7.752 1.00 2.27 O ATOM 1241 CB TYR A 80 -9.458 -3.857 -10.233 1.00 5.38 C ATOM 1242 CG TYR A 80 -9.612 -5.254 -10.729 1.00 9.01 C ATOM 1243 CD1 TYR A 80 -10.723 -5.617 -11.448 1.00 9.02 C ATOM 1244 CD2 TYR A 80 -8.602 -6.140 -10.449 1.00 9.72 C ATOM 1245 CE1 TYR A 80 -10.833 -6.899 -11.913 1.00 11.03 C ATOM 1246 CE2 TYR A 80 -8.700 -7.432 -10.904 1.00 10.74 C ATOM 1247 CZ TYR A 80 -9.817 -7.800 -11.642 1.00 11.52 C ATOM 1248 OH TYR A 80 -9.866 -9.083 -12.160 1.00 10.51 O ATOM 0 H TYR A 80 -11.458 -2.381 -10.625 1.00 5.54 H new ATOM 0 HA TYR A 80 -10.788 -4.449 -8.672 1.00 5.25 H new ATOM 0 HB2 TYR A 80 -9.535 -3.157 -11.065 1.00 5.38 H new ATOM 0 HB3 TYR A 80 -8.468 -3.725 -9.797 1.00 5.38 H new ATOM 0 HD1 TYR A 80 -11.504 -4.897 -11.645 1.00 9.02 H new ATOM 0 HD2 TYR A 80 -7.741 -5.825 -9.878 1.00 9.72 H new ATOM 0 HE1 TYR A 80 -11.699 -7.203 -12.482 1.00 11.03 H new ATOM 0 HE2 TYR A 80 -7.921 -8.150 -10.691 1.00 10.74 H new ATOM 0 HH TYR A 80 -9.073 -9.582 -11.873 1.00 10.51 H new ATOM 1258 N ALA A 81 -10.669 -1.495 -7.999 1.00 3.70 N ATOM 1259 CA ALA A 81 -10.221 -0.412 -7.142 1.00 2.09 C ATOM 1260 C ALA A 81 -11.415 -0.056 -6.267 1.00 2.54 C ATOM 1261 O ALA A 81 -11.864 -0.950 -5.550 1.00 2.00 O ATOM 1262 CB ALA A 81 -9.764 0.736 -8.048 1.00 2.00 C ATOM 0 H ALA A 81 -11.608 -1.365 -8.376 1.00 3.70 H new ATOM 0 HA ALA A 81 -9.378 -0.664 -6.498 1.00 2.09 H new ATOM 0 HB1 ALA A 81 -9.420 1.569 -7.435 1.00 2.00 H new ATOM 0 HB2 ALA A 81 -8.949 0.394 -8.686 1.00 2.00 H new ATOM 0 HB3 ALA A 81 -10.598 1.063 -8.669 1.00 2.00 H new ATOM 1268 N TYR A 82 -12.010 1.157 -6.324 1.00 3.23 N ATOM 1269 CA TYR A 82 -13.075 1.620 -5.427 1.00 2.24 C ATOM 1270 C TYR A 82 -14.507 1.595 -6.022 1.00 3.91 C ATOM 1271 O TYR A 82 -15.498 2.030 -5.394 1.00 3.42 O ATOM 1272 CB TYR A 82 -12.668 3.031 -4.979 1.00 3.55 C ATOM 1273 CG TYR A 82 -11.402 3.033 -4.154 1.00 2.13 C ATOM 1274 CD1 TYR A 82 -11.394 2.502 -2.855 1.00 3.05 C ATOM 1275 CD2 TYR A 82 -10.231 3.522 -4.716 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 3.466 -3.990 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 -2.028 1.00 6.84 O ATOM 0 H TYR A 82 -11.749 1.856 -7.019 1.00 3.23 H new ATOM 0 HA TYR A 82 -13.155 0.923 -4.593 1.00 2.24 H new ATOM 0 HB2 TYR A 82 -12.527 3.661 -5.857 1.00 3.55 H new ATOM 0 HB3 TYR A 82 -13.478 3.472 -4.397 1.00 3.55 H new ATOM 0 HD1 TYR A 82 -12.312 2.134 -2.421 1.00 3.05 H new ATOM 0 HD2 TYR A 82 -10.237 3.942 -5.711 1.00 3.38 H new ATOM 0 HE1 TYR A 82 -10.203 2.034 -1.126 1.00 3.83 H new ATOM 0 HE2 TYR A 82 -8.140 3.837 -4.419 1.00 3.32 H new ATOM 0 HH TYR A 82 -7.152 3.267 -2.584 1.00 6.84 H new ATOM 1289 N GLY A 83 -14.626 1.075 -7.265 1.00 2.04 N ATOM 1290 CA GLY A 83 -15.889 0.820 -7.906 1.00 3.96 C ATOM 1291 C GLY A 83 -16.708 2.086 -8.018 1.00 5.99 C ATOM 1292 O GLY A 83 -16.251 3.164 -8.404 1.00 2.62 O ATOM 0 H GLY A 83 -13.822 0.825 -7.840 1.00 2.04 H new ATOM 0 HA2 GLY A 83 -15.719 0.404 -8.899 1.00 3.96 H new ATOM 0 HA3 GLY A 83 -16.444 0.073 -7.339 1.00 3.96 H new ATOM 1296 N ALA A 84 -17.977 1.876 -7.713 1.00 7.64 N ATOM 1297 CA ALA A 84 -18.941 2.959 -7.785 1.00 8.23 C ATOM 1298 C ALA A 84 -18.897 3.813 -6.531 1.00 9.75 C ATOM 1299 O ALA A 84 -19.363 4.942 -6.610 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 0.978 -7.417 1.00 7.64 H new ATOM 0 HA ALA A 84 -18.691 3.593 -8.636 1.00 8.23 H new ATOM 0 HB1 ALA A 84 -21.051 3.191 -8.015 1.00 9.35 H new ATOM 0 HB2 ALA A 84 -20.360 1.798 -8.880 1.00 9.35 H new ATOM 0 HB3 ALA A 84 -20.559 1.739 -7.112 1.00 9.35 H new ATOM 1306 N THR A 85 -18.346 3.351 -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 -17.171 5.307 -4.434 1.00 11.44 C ATOM 1309 O THR A 85 -17.347 6.491 -4.092 1.00 13.50 O ATOM 1310 CB THR A 85 -17.896 3.400 -3.012 1.00 12.18 C ATOM 1311 OG1 THR A 85 -18.702 2.247 -3.041 1.00 13.76 O ATOM 1312 CG2 THR A 85 -18.202 4.120 -1.728 1.00 12.85 C ATOM 0 H THR A 85 -17.985 2.407 -5.263 1.00 10.35 H new ATOM 0 HA THR A 85 -19.194 4.743 -4.132 1.00 11.80 H new ATOM 0 HB THR A 85 -16.829 3.181 -3.039 1.00 12.18 H new ATOM 0 HG1 THR A 85 -18.504 1.690 -2.259 1.00 13.76 H new ATOM 0 HG21 THR A 85 -17.941 3.483 -0.883 1.00 12.85 H new ATOM 0 HG22 THR A 85 -17.622 5.042 -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 5.838 -4.956 1.00 8.62 C ATOM 1322 C GLY A 86 -14.371 5.956 -3.520 1.00 5.63 C ATOM 1323 O GLY A 86 -14.710 5.156 -2.643 1.00 6.65 O ATOM 0 H GLY A 86 -15.823 3.987 -5.355 1.00 9.98 H new ATOM 0 HA2 GLY A 86 -14.093 5.481 -5.616 1.00 8.62 H new ATOM 0 HA3 GLY A 86 -15.197 6.812 -5.331 1.00 8.62 H new ATOM 1327 N HIS A 87 -13.497 6.894 -3.201 1.00 6.67 N ATOM 1328 CA HIS A 87 -13.028 7.008 -1.826 1.00 8.71 C ATOM 1329 C HIS A 87 -13.472 8.391 -1.423 1.00 5.88 C ATOM 1330 O HIS A 87 -12.932 9.340 -2.024 1.00 6.76 O ATOM 1331 CB HIS A 87 -11.514 6.917 -1.745 1.00 10.42 C ATOM 1332 CG HIS A 87 -10.996 6.847 -0.309 1.00 14.33 C ATOM 1333 ND1 HIS A 87 -10.786 7.841 0.575 1.00 15.88 N ATOM 1334 CD2 HIS A 87 -10.666 5.666 0.324 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 1.531 1.00 15.30 N ATOM 0 H HIS A 87 -13.104 7.573 -3.853 1.00 6.67 H new ATOM 0 HA HIS A 87 -13.416 6.212 -1.190 1.00 8.71 H new ATOM 0 HB2 HIS A 87 -11.179 6.034 -2.290 1.00 10.42 H new ATOM 0 HB3 HIS A 87 -11.076 7.783 -2.241 1.00 10.42 H new ATOM 0 HD2 HIS A 87 -10.708 4.670 -0.091 1.00 14.59 H new ATOM 0 HE1 HIS A 87 -10.105 7.850 2.599 1.00 15.05 H new ATOM 0 HE2 HIS A 87 -9.990 5.343 2.248 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 -0.184 1.00 10.44 C ATOM 1347 C PRO A 88 -14.084 11.019 -0.120 1.00 9.91 C ATOM 1348 O PRO A 88 -13.013 10.883 0.492 1.00 11.41 O ATOM 1349 CB PRO A 88 -15.855 9.612 1.124 1.00 10.62 C ATOM 1350 CG PRO A 88 -15.099 8.495 1.790 1.00 10.41 C ATOM 1351 CD PRO A 88 -14.719 7.612 0.598 1.00 9.40 C ATOM 0 HA PRO A 88 -15.773 10.168 -0.974 1.00 10.44 H new ATOM 0 HB2 PRO A 88 -15.878 10.505 1.749 1.00 10.62 H new ATOM 0 HB3 PRO A 88 -16.890 9.331 0.930 1.00 10.62 H new ATOM 0 HG2 PRO A 88 -14.221 8.858 2.325 1.00 10.41 H new ATOM 0 HG3 PRO A 88 -15.714 7.961 2.514 1.00 10.41 H new ATOM 0 HD2 PRO A 88 -13.866 6.972 0.825 1.00 9.40 H new ATOM 0 HD3 PRO A 88 -15.539 6.957 0.303 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 -13.536 13.154 -1.194 1.00 10.18 C ATOM 1361 C GLY A 89 -12.266 13.004 -2.064 1.00 12.92 C ATOM 1362 O GLY A 89 -11.855 13.989 -2.692 1.00 14.20 O ATOM 0 H GLY A 89 -15.179 11.946 -1.632 1.00 10.00 H new ATOM 0 HA2 GLY A 89 -14.153 13.939 -1.631 1.00 10.18 H new ATOM 0 HA3 GLY A 89 -13.229 13.502 -0.208 1.00 10.18 H new ATOM 1366 N ILE A 90 -11.643 11.815 -2.189 1.00 11.06 N ATOM 1367 CA ILE A 90 -10.395 11.677 -2.929 1.00 8.16 C ATOM 1368 C ILE A 90 -10.532 11.075 -4.306 1.00 6.45 C ATOM 1369 O ILE A 90 -9.982 11.588 -5.282 1.00 7.46 O ATOM 1370 CB ILE A 90 -9.402 10.846 -2.048 1.00 7.49 C ATOM 1371 CG1 ILE A 90 -9.162 11.606 -0.772 1.00 6.98 C ATOM 1372 CG2 ILE A 90 -8.021 10.686 -2.686 1.00 7.67 C ATOM 1373 CD1 ILE A 90 -8.615 10.748 0.361 1.00 8.17 C ATOM 0 H ILE A 90 -11.991 10.945 -1.785 1.00 11.06 H new ATOM 0 HA ILE A 90 -10.018 12.682 -3.119 1.00 8.16 H new ATOM 0 HB ILE A 90 -9.854 9.864 -1.909 1.00 7.49 H new ATOM 0 HG12 ILE A 90 -8.463 12.418 -0.970 1.00 6.98 H new ATOM 0 HG13 ILE A 90 -10.098 12.062 -0.450 1.00 6.98 H new ATOM 0 HG21 ILE A 90 -7.381 10.101 -2.026 1.00 7.67 H new ATOM 0 HG22 ILE A 90 -8.120 10.174 -3.643 1.00 7.67 H new ATOM 0 HG23 ILE A 90 -7.577 11.669 -2.844 1.00 7.67 H new ATOM 0 HD11 ILE A 90 -8.468 11.366 1.247 1.00 8.17 H new ATOM 0 HD12 ILE A 90 -9.323 9.951 0.588 1.00 8.17 H new ATOM 0 HD13 ILE A 90 -7.662 10.312 0.060 1.00 8.17 H new ATOM 1385 N ILE A 91 -11.220 9.940 -4.424 1.00 4.73 N ATOM 1386 CA ILE A 91 -11.322 9.247 -5.710 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 -10.965 7.731 -5.588 1.00 6.01 C ATOM 1390 CG1 ILE A 91 -9.597 7.523 -4.952 1.00 6.44 C ATOM 1391 CG2 ILE A 91 -10.996 7.096 -6.959 1.00 4.02 C ATOM 1392 CD1 ILE A 91 -8.430 8.135 -5.736 1.00 8.01 C ATOM 0 H ILE A 91 -11.710 9.484 -3.655 1.00 4.73 H new ATOM 0 HA ILE A 91 -10.637 9.661 -6.450 1.00 6.29 H new ATOM 0 HB ILE A 91 -11.705 7.260 -4.941 1.00 6.01 H new ATOM 0 HG12 ILE A 91 -9.608 7.950 -3.949 1.00 6.44 H new ATOM 0 HG13 ILE A 91 -9.421 6.453 -4.840 1.00 6.44 H new ATOM 0 HG21 ILE A 91 -10.747 6.038 -6.876 1.00 4.02 H new ATOM 0 HG22 ILE A 91 -11.993 7.202 -7.386 1.00 4.02 H new ATOM 0 HG23 ILE A 91 -10.270 7.590 -7.605 1.00 4.02 H new ATOM 0 HD11 ILE A 91 -7.496 7.939 -5.210 1.00 8.01 H new ATOM 0 HD12 ILE A 91 -8.387 7.691 -6.730 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 -13.202 9.793 -7.278 1.00 4.17 N ATOM 1405 CA PRO A 92 -14.597 9.788 -7.748 1.00 5.55 C ATOM 1406 C PRO A 92 -15.164 8.386 -7.909 1.00 4.42 C ATOM 1407 O PRO A 92 -14.391 7.427 -8.056 1.00 5.15 O ATOM 1408 CB PRO A 92 -14.554 10.520 -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 10.191 -8.370 1.00 3.94 C ATOM 0 HA PRO A 92 -15.260 10.262 -7.024 1.00 5.55 H new ATOM 0 HB2 PRO A 92 -14.686 9.836 -9.897 1.00 6.08 H new ATOM 0 HB3 PRO A 92 -15.351 11.261 -9.123 1.00 6.08 H new ATOM 0 HG2 PRO A 92 -12.855 11.335 -10.122 1.00 6.52 H new ATOM 0 HG3 PRO A 92 -13.202 12.149 -8.609 1.00 6.52 H new ATOM 0 HD2 PRO A 92 -12.046 9.347 -8.999 1.00 3.94 H new ATOM 0 HD3 PRO A 92 -11.404 10.645 -8.012 1.00 3.94 H new ATOM 1418 N PRO A 93 -16.491 8.198 -7.995 1.00 4.82 N ATOM 1419 CA PRO A 93 -17.079 6.963 -8.509 1.00 2.73 C ATOM 1420 C PRO A 93 -16.536 6.658 -9.912 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 7.184 -8.537 1.00 4.57 C ATOM 1423 CG PRO A 93 -18.840 8.456 -7.757 1.00 2.86 C ATOM 1424 CD PRO A 93 -17.523 9.224 -7.751 1.00 3.66 C ATOM 0 HA PRO A 93 -16.827 6.108 -7.882 1.00 2.73 H new ATOM 0 HB2 PRO A 93 -18.945 7.277 -9.561 1.00 4.57 H new ATOM 0 HB3 PRO A 93 -19.109 6.341 -8.089 1.00 4.57 H new ATOM 0 HG2 PRO A 93 -19.632 9.044 -8.221 1.00 2.86 H new ATOM 0 HG3 PRO A 93 -19.164 8.231 -6.741 1.00 2.86 H new ATOM 0 HD2 PRO A 93 -17.509 9.992 -8.524 1.00 3.66 H new ATOM 0 HD3 PRO A 93 -17.363 9.728 -6.798 1.00 3.66 H new ATOM 1432 N HIS A 94 -16.378 5.352 -10.135 1.00 2.02 N ATOM 1433 CA HIS A 94 -16.032 4.764 -11.424 1.00 2.29 C ATOM 1434 C HIS A 94 -14.680 5.208 -11.954 1.00 3.54 C ATOM 1435 O HIS A 94 -14.518 5.200 -13.160 1.00 5.36 O ATOM 1436 CB HIS A 94 -17.170 5.097 -12.462 1.00 2.13 C ATOM 1437 CG HIS A 94 -18.498 4.535 -11.979 1.00 3.62 C ATOM 1438 ND1 HIS A 94 -18.836 3.259 -11.889 1.00 5.90 N ATOM 1439 CD2 HIS A 94 -19.554 5.282 -11.500 1.00 6.00 C ATOM 1440 CE1 HIS A 94 -20.044 3.214 -11.370 1.00 7.29 C ATOM 1441 NE2 HIS A 94 -20.478 4.429 -11.140 1.00 7.42 N ATOM 0 H HIS A 94 -16.492 4.655 -9.399 1.00 2.02 H new ATOM 0 HA HIS A 94 -15.950 3.687 -11.277 1.00 2.29 H new ATOM 0 HB2 HIS A 94 -17.249 6.176 -12.593 1.00 2.13 H new ATOM 0 HB3 HIS A 94 -16.920 4.675 -13.435 1.00 2.13 H new ATOM 0 HD2 HIS A 94 -19.607 6.359 -11.435 1.00 6.00 H new ATOM 0 HE1 HIS A 94 -20.597 2.309 -11.164 1.00 7.29 H new ATOM 0 HE2 HIS A 94 -21.387 4.670 -10.745 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 6.045 -11.554 1.00 2.07 C ATOM 1452 C ALA A 95 -11.362 4.972 -11.928 1.00 2.04 C ATOM 1453 O ALA A 95 -11.186 4.031 -11.156 1.00 2.22 O ATOM 1454 CB ALA A 95 -11.829 6.900 -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 -12.602 6.570 -12.489 1.00 2.07 H new ATOM 0 HB1 ALA A 95 -10.848 7.266 -10.759 1.00 2.15 H new ATOM 0 HB2 ALA A 95 -12.490 7.746 -10.267 1.00 2.15 H new ATOM 0 HB3 ALA A 95 -11.730 6.307 -9.547 1.00 2.15 H new ATOM 1460 N THR A 96 -10.652 5.044 -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 -8.303 4.832 -12.613 1.00 2.64 C ATOM 1463 O THR A 96 -8.054 6.034 -12.714 1.00 2.00 O ATOM 1464 CB THR A 96 -9.194 4.165 -14.884 1.00 3.72 C ATOM 1465 OG1 THR A 96 -10.249 3.434 -15.528 1.00 4.61 O ATOM 1466 CG2 THR A 96 -7.838 3.566 -15.183 1.00 2.33 C ATOM 0 H THR A 96 -10.872 5.698 -13.820 1.00 2.15 H new ATOM 0 HA THR A 96 -9.687 3.175 -13.030 1.00 2.05 H new ATOM 0 HB THR A 96 -9.156 5.184 -15.270 1.00 3.72 H new ATOM 0 HG1 THR A 96 -10.082 3.400 -16.493 1.00 4.61 H new ATOM 0 HG21 THR A 96 -7.671 3.563 -16.260 1.00 2.33 H new ATOM 0 HG22 THR A 96 -7.063 4.159 -14.697 1.00 2.33 H new ATOM 0 HG23 THR A 96 -7.801 2.543 -14.808 1.00 2.33 H new ATOM 1474 N LEU A 97 -7.521 4.041 -11.883 1.00 2.19 N ATOM 1475 CA LEU A 97 -6.417 4.565 -11.108 1.00 2.07 C ATOM 1476 C LEU A 97 -5.080 4.162 -11.745 1.00 2.05 C ATOM 1477 O LEU A 97 -4.965 3.115 -12.382 1.00 5.34 O ATOM 1478 CB LEU A 97 -6.565 4.023 -9.680 1.00 2.00 C ATOM 1479 CG LEU A 97 -7.838 4.396 -8.940 1.00 2.82 C ATOM 1480 CD1 LEU A 97 -7.755 3.831 -7.549 1.00 2.15 C ATOM 1481 CD2 LEU A 97 -8.027 5.928 -8.913 1.00 2.08 C ATOM 0 H LEU A 97 -7.639 3.030 -11.817 1.00 2.19 H new ATOM 0 HA LEU A 97 -6.430 5.655 -11.086 1.00 2.07 H new ATOM 0 HB2 LEU A 97 -6.500 2.936 -9.720 1.00 2.00 H new ATOM 0 HB3 LEU A 97 -5.715 4.372 -9.093 1.00 2.00 H new ATOM 0 HG LEU A 97 -8.705 3.979 -9.452 1.00 2.82 H new ATOM 0 HD11 LEU A 97 -8.660 4.087 -6.998 1.00 2.15 H new ATOM 0 HD12 LEU A 97 -7.657 2.747 -7.602 1.00 2.15 H new ATOM 0 HD13 LEU A 97 -6.888 4.249 -7.037 1.00 2.15 H new ATOM 0 HD21 LEU A 97 -8.945 6.172 -8.378 1.00 2.08 H new ATOM 0 HD22 LEU A 97 -7.179 6.390 -8.408 1.00 2.08 H new ATOM 0 HD23 LEU A 97 -8.091 6.305 -9.934 1.00 2.08 H new ATOM 1493 N VAL A 98 -4.080 5.014 -11.639 1.00 2.00 N ATOM 1494 CA VAL A 98 -2.814 4.738 -12.232 1.00 3.65 C ATOM 1495 C VAL A 98 -1.850 4.811 -11.070 1.00 2.12 C ATOM 1496 O VAL A 98 -1.804 5.824 -10.386 1.00 3.97 O ATOM 1497 CB VAL A 98 -2.491 5.792 -13.316 1.00 3.31 C ATOM 1498 CG1 VAL A 98 -1.095 5.500 -13.818 1.00 2.09 C ATOM 1499 CG2 VAL A 98 -3.462 5.726 -14.511 1.00 2.11 C ATOM 0 H VAL A 98 -4.133 5.904 -11.143 1.00 2.00 H new ATOM 0 HA VAL A 98 -2.770 3.773 -12.737 1.00 3.65 H new ATOM 0 HB VAL A 98 -2.582 6.785 -12.876 1.00 3.31 H new ATOM 0 HG11 VAL A 98 -0.826 6.224 -14.588 1.00 2.09 H new ATOM 0 HG12 VAL A 98 -0.389 5.571 -12.991 1.00 2.09 H new ATOM 0 HG13 VAL A 98 -1.062 4.495 -14.238 1.00 2.09 H new ATOM 0 HG21 VAL A 98 -3.191 6.487 -15.243 1.00 2.11 H new ATOM 0 HG22 VAL A 98 -3.404 4.741 -14.973 1.00 2.11 H new ATOM 0 HG23 VAL A 98 -4.480 5.904 -14.163 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 1.248 3.569 -10.211 1.00 2.00 C ATOM 1512 O PHE A 99 1.461 2.709 -11.063 1.00 2.00 O ATOM 1513 CB PHE A 99 -0.457 2.720 -8.639 1.00 2.00 C ATOM 1514 CG PHE A 99 -1.570 3.012 -7.684 1.00 2.40 C ATOM 1515 CD1 PHE A 99 -2.882 2.652 -8.009 1.00 2.00 C ATOM 1516 CD2 PHE A 99 -1.284 3.640 -6.486 1.00 2.08 C ATOM 1517 CE1 PHE A 99 -3.884 2.933 -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 3.562 -5.915 1.00 2.48 C ATOM 0 H PHE A 99 -1.184 2.843 -11.230 1.00 4.42 H new ATOM 0 HA PHE A 99 -0.240 4.775 -9.189 1.00 2.41 H new ATOM 0 HB2 PHE A 99 -0.691 1.796 -9.168 1.00 2.00 H new ATOM 0 HB3 PHE A 99 0.451 2.536 -8.064 1.00 2.00 H new ATOM 0 HD1 PHE A 99 -3.102 2.162 -8.946 1.00 2.00 H new ATOM 0 HD2 PHE A 99 -0.268 3.915 -6.246 1.00 2.08 H new ATOM 0 HE1 PHE A 99 -4.903 2.661 -7.347 1.00 2.02 H new ATOM 0 HE2 PHE A 99 -2.087 4.401 -4.662 1.00 2.30 H new ATOM 0 HZ PHE A 99 -4.397 3.780 -5.220 1.00 2.48 H new ATOM 1529 N ASP A 100 2.205 4.344 -9.750 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 3.565 -8.755 1.00 2.00 C ATOM 1532 O ASP A 100 4.049 4.188 -7.703 1.00 2.00 O ATOM 1533 CB ASP A 100 4.283 5.536 -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 6.435 4.494 -10.198 1.00 2.00 O ATOM 1536 OD2 ASP A 100 6.311 6.504 -10.944 1.00 2.00 O ATOM 0 H ASP A 100 2.019 5.129 -9.126 1.00 2.07 H new ATOM 0 HA ASP A 100 3.846 3.620 -10.965 1.00 2.05 H new ATOM 0 HB2 ASP A 100 3.828 6.009 -11.148 1.00 2.00 H new ATOM 0 HB3 ASP A 100 4.063 6.170 -9.419 1.00 2.00 H new ATOM 1541 N VAL A 101 4.483 2.309 -8.868 1.00 2.00 N ATOM 1542 CA VAL A 101 4.810 1.457 -7.728 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 -8.959 1.00 2.23 O ATOM 1545 CB VAL A 101 3.699 0.351 -7.605 1.00 2.13 C ATOM 1546 CG1 VAL A 101 4.009 -0.616 -6.476 1.00 2.10 C ATOM 1547 CG2 VAL A 101 2.415 0.955 -7.129 1.00 3.53 C ATOM 0 H VAL A 101 4.591 1.841 -9.768 1.00 2.00 H new ATOM 0 HA VAL A 101 4.833 2.047 -6.812 1.00 3.03 H new ATOM 0 HB VAL A 101 3.646 -0.119 -8.587 1.00 2.13 H new ATOM 0 HG11 VAL A 101 3.223 -1.369 -6.416 1.00 2.10 H new ATOM 0 HG12 VAL A 101 4.965 -1.104 -6.667 1.00 2.10 H new ATOM 0 HG13 VAL A 101 4.062 -0.070 -5.534 1.00 2.10 H new ATOM 0 HG21 VAL A 101 1.655 0.178 -7.049 1.00 3.53 H new ATOM 0 HG22 VAL A 101 2.569 1.414 -6.153 1.00 3.53 H new ATOM 0 HG23 VAL A 101 2.085 1.713 -7.839 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 0.347 -6.872 1.00 3.37 C ATOM 1559 C GLU A 102 8.370 -0.668 -5.765 1.00 2.00 C ATOM 1560 O GLU A 102 8.080 -0.297 -4.625 1.00 2.00 O ATOM 1561 CB GLU A 102 9.355 1.438 -6.638 1.00 5.33 C ATOM 1562 CG GLU A 102 10.767 0.848 -6.448 1.00 8.11 C ATOM 1563 CD GLU A 102 11.944 1.799 -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 -7.153 1.00 14.21 O ATOM 0 H GLU A 102 6.777 1.361 -5.962 1.00 2.47 H new ATOM 0 HA GLU A 102 8.586 -0.116 -7.829 1.00 3.37 H new ATOM 0 HB2 GLU A 102 9.355 2.127 -7.483 1.00 5.33 H new ATOM 0 HB3 GLU A 102 9.076 2.015 -5.756 1.00 5.33 H new ATOM 0 HG2 GLU A 102 10.835 0.448 -5.436 1.00 8.11 H new ATOM 0 HG3 GLU A 102 10.879 0.006 -7.131 1.00 8.11 H new ATOM 1572 N LEU A 103 8.656 -1.928 -6.074 1.00 2.00 N ATOM 1573 CA LEU A 103 8.705 -2.948 -5.034 1.00 2.00 C ATOM 1574 C LEU A 103 10.143 -2.980 -4.487 1.00 2.00 C ATOM 1575 O LEU A 103 11.108 -3.413 -5.124 1.00 2.08 O ATOM 1576 CB LEU A 103 8.277 -4.306 -5.626 1.00 2.00 C ATOM 1577 CG LEU A 103 8.492 -5.532 -4.713 1.00 2.00 C ATOM 1578 CD1 LEU A 103 7.783 -5.336 -3.357 1.00 2.42 C ATOM 1579 CD2 LEU A 103 7.964 -6.782 -5.417 1.00 2.00 C ATOM 0 H LEU A 103 8.854 -2.263 -7.017 1.00 2.00 H new ATOM 0 HA LEU A 103 8.019 -2.726 -4.217 1.00 2.00 H new ATOM 0 HB2 LEU A 103 7.220 -4.251 -5.887 1.00 2.00 H new ATOM 0 HB3 LEU A 103 8.826 -4.466 -6.554 1.00 2.00 H new ATOM 0 HG LEU A 103 9.558 -5.649 -4.518 1.00 2.00 H new ATOM 0 HD11 LEU A 103 7.948 -6.212 -2.730 1.00 2.42 H new ATOM 0 HD12 LEU A 103 8.186 -4.453 -2.860 1.00 2.42 H new ATOM 0 HD13 LEU A 103 6.714 -5.204 -3.521 1.00 2.42 H new ATOM 0 HD21 LEU A 103 8.114 -7.651 -4.776 1.00 2.00 H new ATOM 0 HD22 LEU A 103 6.900 -6.662 -5.623 1.00 2.00 H new ATOM 0 HD23 LEU A 103 8.501 -6.926 -6.355 1.00 2.00 H new ATOM 1591 N LEU A 104 10.267 -2.501 -3.270 1.00 2.09 N ATOM 1592 CA LEU A 104 11.574 -2.281 -2.639 1.00 2.00 C ATOM 1593 C LEU A 104 12.171 -3.503 -1.938 1.00 2.09 C ATOM 1594 O LEU A 104 13.381 -3.818 -2.027 1.00 2.00 O ATOM 1595 CB LEU A 104 11.486 -1.121 -1.592 1.00 2.00 C ATOM 1596 CG LEU A 104 11.011 0.283 -2.041 1.00 2.23 C ATOM 1597 CD1 LEU A 104 10.885 1.273 -0.876 1.00 2.62 C ATOM 1598 CD2 LEU A 104 12.030 0.808 -3.023 1.00 2.00 C ATOM 0 H LEU A 104 9.474 -2.249 -2.680 1.00 2.09 H new ATOM 0 HA LEU A 104 12.236 -2.034 -3.469 1.00 2.00 H new ATOM 0 HB2 LEU A 104 10.819 -1.451 -0.795 1.00 2.00 H new ATOM 0 HB3 LEU A 104 12.476 -1.004 -1.151 1.00 2.00 H new ATOM 0 HG LEU A 104 10.018 0.187 -2.481 1.00 2.23 H new ATOM 0 HD11 LEU A 104 10.549 2.239 -1.254 1.00 2.62 H new ATOM 0 HD12 LEU A 104 10.162 0.894 -0.153 1.00 2.62 H new ATOM 0 HD13 LEU A 104 11.855 1.391 -0.392 1.00 2.62 H new ATOM 0 HD21 LEU A 104 11.730 1.799 -3.364 1.00 2.00 H new ATOM 0 HD22 LEU A 104 13.004 0.871 -2.538 1.00 2.00 H new ATOM 0 HD23 LEU A 104 12.093 0.134 -3.877 1.00 2.00 H new ATOM 1610 N LYS A 105 11.286 -4.187 -1.214 1.00 2.35 N ATOM 1611 CA LYS A 105 11.748 -5.196 -0.276 1.00 3.56 C ATOM 1612 C LYS A 105 10.587 -6.120 0.077 1.00 4.04 C ATOM 1613 O LYS A 105 9.447 -5.639 0.011 1.00 2.11 O ATOM 1614 CB LYS A 105 12.203 -4.458 0.934 1.00 4.70 C ATOM 1615 CG LYS A 105 12.983 -5.255 1.903 1.00 8.71 C ATOM 1616 CD LYS A 105 13.444 -4.284 2.949 1.00 8.68 C ATOM 1617 CE LYS A 105 13.993 -5.154 4.053 1.00 10.78 C ATOM 1618 NZ LYS A 105 14.225 -4.305 5.204 1.00 11.71 N ATOM 0 H LYS A 105 10.275 -4.063 -1.259 1.00 2.35 H new ATOM 0 HA LYS A 105 12.552 -5.804 -0.691 1.00 3.56 H new ATOM 0 HB2 LYS A 105 12.808 -3.609 0.616 1.00 4.70 H new ATOM 0 HB3 LYS A 105 11.328 -4.053 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 -5.740 1.419 1.00 8.71 H new ATOM 0 HD2 LYS A 105 14.206 -3.611 2.558 1.00 8.68 H new ATOM 0 HD3 LYS A 105 12.622 -3.663 3.304 1.00 8.68 H new ATOM 0 HE2 LYS A 105 13.290 -5.950 4.299 1.00 10.78 H new ATOM 0 HE3 LYS A 105 14.920 -5.634 3.738 1.00 10.78 H new ATOM 0 HZ1 LYS A 105 14.984 -4.711 5.788 1.00 11.71 H new ATOM 0 HZ2 LYS A 105 14.505 -3.356 4.884 1.00 11.71 H new ATOM 0 HZ3 LYS A 105 13.353 -4.238 5.767 1.00 11.71 H new ATOM 1632 N LEU A 106 10.874 -7.381 0.462 1.00 2.84 N ATOM 1633 CA LEU A 106 9.865 -8.282 1.009 1.00 2.86 C ATOM 1634 C LEU A 106 10.356 -8.632 2.387 1.00 3.93 C ATOM 1635 O LEU A 106 11.551 -8.902 2.620 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 9.194 -9.457 -1.243 1.00 2.13 C ATOM 1638 CD1 LEU A 106 9.149 -10.819 -1.861 1.00 2.04 C ATOM 1639 CD2 LEU A 106 7.795 -8.851 -1.304 1.00 4.67 C ATOM 0 H LEU A 106 11.806 -7.791 0.399 1.00 2.84 H new ATOM 0 HA LEU A 106 8.895 -7.785 0.981 1.00 2.86 H new ATOM 0 HB2 LEU A 106 10.658 -10.110 0.195 1.00 2.24 H new ATOM 0 HB3 LEU A 106 9.002 -10.238 0.755 1.00 2.24 H new ATOM 0 HG LEU A 106 9.876 -8.796 -1.778 1.00 2.13 H new ATOM 0 HD11 LEU A 106 8.796 -10.740 -2.889 1.00 2.04 H new ATOM 0 HD12 LEU A 106 10.148 -11.256 -1.852 1.00 2.04 H new ATOM 0 HD13 LEU A 106 8.470 -11.454 -1.292 1.00 2.04 H new ATOM 0 HD21 LEU A 106 7.478 -8.770 -2.344 1.00 4.67 H new ATOM 0 HD22 LEU A 106 7.098 -9.489 -0.761 1.00 4.67 H new ATOM 0 HD23 LEU A 106 7.808 -7.860 -0.851 1.00 4.67 H new ATOM 1651 N GLU A 107 9.428 -8.543 3.312 1.00 6.38 N ATOM 1652 CA GLU A 107 9.700 -8.834 4.712 1.00 9.00 C ATOM 1653 C GLU A 107 8.726 -9.901 5.216 1.00 10.52 C ATOM 1654 O GLU A 107 7.863 -10.343 4.438 1.00 10.53 O ATOM 1655 CB GLU A 107 9.522 -7.581 5.543 1.00 7.90 C ATOM 1656 CG GLU A 107 10.452 -6.459 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 9.212 -4.966 6.586 1.00 13.02 O ATOM 1659 OE2 GLU A 107 11.315 -4.570 6.277 1.00 12.10 O ATOM 1660 OXT GLU A 107 8.802 -10.230 6.404 1.00 11.27 O ATOM 0 H GLU A 107 8.464 -8.268 3.122 1.00 6.38 H new ATOM 0 HA GLU A 107 10.725 -9.194 4.803 1.00 9.00 H new ATOM 0 HB2 GLU A 107 8.494 -7.234 5.440 1.00 7.90 H new ATOM 0 HB3 GLU A 107 9.670 -7.831 6.593 1.00 7.90 H new ATOM 0 HG2 GLU A 107 11.480 -6.818 5.216 1.00 9.88 H new ATOM 0 HG3 GLU A 107 10.260 -6.157 4.147 1.00 9.88 H new