USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 19:sc= 1.12 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -110:sc= 0.106 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-0.96) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 63:sc= 0.543 USER MOD Single : A 64 ASN : amide:sc= -1.2! C(o=-1.2!,f=-3.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.87) USER MOD Single : A 85 SER OG : rot 85:sc= 1.3 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0408 K(o=-0.041,f=-1.4!) USER MOD Single : A 96 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.78) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 13.947 6.834 5.978 1.00 0.00 N ATOM 67 CA PRO A 8 14.092 6.943 4.523 1.00 0.00 C ATOM 68 C PRO A 8 13.005 7.809 3.896 1.00 0.00 C ATOM 69 O PRO A 8 12.026 8.184 4.542 1.00 0.00 O ATOM 70 CB PRO A 8 13.963 5.494 4.045 1.00 0.00 C ATOM 71 CG PRO A 8 13.163 4.816 5.103 1.00 0.00 C ATOM 72 CD PRO A 8 13.537 5.484 6.397 1.00 0.00 C ATOM 0 HA PRO A 8 15.032 7.418 4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.466 5.439 3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.941 5.027 3.928 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.095 4.914 4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.384 3.749 5.136 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.696 5.516 7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.346 4.957 6.902 1.00 0.00 H new ATOM 80 N PRO A 9 13.178 8.136 2.606 1.00 0.00 N ATOM 81 CA PRO A 9 12.221 8.961 1.863 1.00 0.00 C ATOM 82 C PRO A 9 10.906 8.233 1.604 1.00 0.00 C ATOM 83 O PRO A 9 10.895 7.035 1.322 1.00 0.00 O ATOM 84 CB PRO A 9 12.945 9.244 0.545 1.00 0.00 C ATOM 85 CG PRO A 9 13.896 8.108 0.384 1.00 0.00 C ATOM 86 CD PRO A 9 14.321 7.724 1.774 1.00 0.00 C ATOM 0 HA PRO A 9 11.944 9.860 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.244 9.295 -0.289 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.470 10.198 0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.420 7.269 -0.124 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.755 8.401 -0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.512 6.654 1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.238 8.234 2.069 1.00 0.00 H new ATOM 94 N ALA A 10 9.801 8.964 1.700 1.00 0.00 N ATOM 95 CA ALA A 10 8.482 8.388 1.473 1.00 0.00 C ATOM 96 C ALA A 10 8.406 7.708 0.111 1.00 0.00 C ATOM 97 O ALA A 10 8.784 8.289 -0.906 1.00 0.00 O ATOM 98 CB ALA A 10 7.410 9.461 1.589 1.00 0.00 C ATOM 0 H ALA A 10 9.793 9.957 1.934 1.00 0.00 H new ATOM 0 HA ALA A 10 8.308 7.631 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.430 9.016 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.440 9.899 2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.591 10.238 0.846 1.00 0.00 H new ATOM 104 N VAL A 11 7.917 6.471 0.098 1.00 0.00 N ATOM 105 CA VAL A 11 7.793 5.712 -1.141 1.00 0.00 C ATOM 106 C VAL A 11 7.092 6.530 -2.219 1.00 0.00 C ATOM 107 O VAL A 11 6.014 7.080 -1.994 1.00 0.00 O ATOM 108 CB VAL A 11 7.014 4.402 -0.919 1.00 0.00 C ATOM 109 CG1 VAL A 11 6.843 3.653 -2.232 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.718 3.532 0.112 1.00 0.00 C ATOM 0 H VAL A 11 7.601 5.974 0.931 1.00 0.00 H new ATOM 0 HA VAL A 11 8.805 5.475 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 11 6.023 4.649 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.290 2.730 -2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.293 4.276 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.823 3.415 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.154 2.611 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.722 3.292 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.783 4.070 1.058 1.00 0.00 H new ATOM 120 N SER A 12 7.712 6.607 -3.392 1.00 0.00 N ATOM 121 CA SER A 12 7.150 7.362 -4.506 1.00 0.00 C ATOM 122 C SER A 12 7.018 6.483 -5.746 1.00 0.00 C ATOM 123 O SER A 12 7.399 5.312 -5.734 1.00 0.00 O ATOM 124 CB SER A 12 8.025 8.577 -4.820 1.00 0.00 C ATOM 125 OG SER A 12 9.118 8.218 -5.647 1.00 0.00 O ATOM 0 H SER A 12 8.604 6.156 -3.596 1.00 0.00 H new ATOM 0 HA SER A 12 6.156 7.704 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.427 9.342 -5.315 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.395 9.012 -3.892 1.00 0.00 H new ATOM 0 HG SER A 12 9.661 9.012 -5.835 1.00 0.00 H new ATOM 131 N ASP A 13 6.474 7.056 -6.815 1.00 0.00 N ATOM 132 CA ASP A 13 6.292 6.326 -8.064 1.00 0.00 C ATOM 133 C ASP A 13 5.693 4.947 -7.805 1.00 0.00 C ATOM 134 O ASP A 13 6.247 3.930 -8.223 1.00 0.00 O ATOM 135 CB ASP A 13 7.626 6.186 -8.797 1.00 0.00 C ATOM 136 CG ASP A 13 7.970 7.417 -9.614 1.00 0.00 C ATOM 137 OD1 ASP A 13 7.067 7.950 -10.293 1.00 0.00 O ATOM 138 OD2 ASP A 13 9.141 7.847 -9.573 1.00 0.00 O ATOM 0 H ASP A 13 6.152 8.023 -6.841 1.00 0.00 H new ATOM 0 HA ASP A 13 5.601 6.891 -8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.418 6.002 -8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.587 5.317 -9.454 1.00 0.00 H new ATOM 143 N ILE A 14 4.559 4.921 -7.113 1.00 0.00 N ATOM 144 CA ILE A 14 3.885 3.667 -6.799 1.00 0.00 C ATOM 145 C ILE A 14 2.849 3.318 -7.862 1.00 0.00 C ATOM 146 O ILE A 14 1.813 3.975 -7.973 1.00 0.00 O ATOM 147 CB ILE A 14 3.193 3.729 -5.424 1.00 0.00 C ATOM 148 CG1 ILE A 14 4.203 4.100 -4.337 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.529 2.398 -5.106 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.585 4.820 -3.159 1.00 0.00 C ATOM 0 H ILE A 14 4.088 5.754 -6.759 1.00 0.00 H new ATOM 0 HA ILE A 14 4.653 2.893 -6.776 1.00 0.00 H new ATOM 0 HB ILE A 14 2.422 4.499 -5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.692 3.193 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.978 4.731 -4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.044 2.457 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.784 2.172 -5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.282 1.610 -5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.359 5.052 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.120 5.745 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.830 4.183 -2.698 1.00 0.00 H new ATOM 162 N ARG A 15 3.134 2.279 -8.640 1.00 0.00 N ATOM 163 CA ARG A 15 2.227 1.842 -9.695 1.00 0.00 C ATOM 164 C ARG A 15 1.424 0.623 -9.250 1.00 0.00 C ATOM 165 O ARG A 15 1.832 -0.106 -8.346 1.00 0.00 O ATOM 166 CB ARG A 15 3.010 1.514 -10.967 1.00 0.00 C ATOM 167 CG ARG A 15 2.129 1.312 -12.189 1.00 0.00 C ATOM 168 CD ARG A 15 2.957 1.187 -13.458 1.00 0.00 C ATOM 169 NE ARG A 15 3.235 2.489 -14.061 1.00 0.00 N ATOM 170 CZ ARG A 15 2.300 3.266 -14.595 1.00 0.00 C ATOM 171 NH1 ARG A 15 1.033 2.875 -14.602 1.00 0.00 N ATOM 172 NH2 ARG A 15 2.632 4.437 -15.124 1.00 0.00 N ATOM 0 H ARG A 15 3.986 1.724 -8.560 1.00 0.00 H new ATOM 0 HA ARG A 15 1.533 2.656 -9.904 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.715 2.320 -11.167 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.597 0.611 -10.800 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.524 0.415 -12.058 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.439 2.151 -12.284 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.897 0.685 -13.229 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.428 0.561 -14.176 1.00 0.00 H new ATOM 0 HE ARG A 15 4.200 2.819 -14.072 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.775 1.975 -14.197 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.317 3.474 -15.013 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.606 4.740 -15.121 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.913 5.033 -15.534 1.00 0.00 H new ATOM 186 N VAL A 16 0.280 0.409 -9.891 1.00 0.00 N ATOM 187 CA VAL A 16 -0.581 -0.721 -9.563 1.00 0.00 C ATOM 188 C VAL A 16 -0.682 -1.693 -10.733 1.00 0.00 C ATOM 189 O VAL A 16 -1.223 -1.359 -11.788 1.00 0.00 O ATOM 190 CB VAL A 16 -1.996 -0.255 -9.173 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.873 -1.447 -8.820 1.00 0.00 C ATOM 192 CG2 VAL A 16 -1.932 0.731 -8.016 1.00 0.00 C ATOM 0 H VAL A 16 -0.072 1.004 -10.641 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.127 -1.228 -8.712 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.441 0.252 -10.029 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.869 -1.098 -8.547 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.945 -2.113 -9.680 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.434 -1.985 -7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.941 1.050 -7.754 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.467 0.251 -7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.342 1.599 -8.310 1.00 0.00 H new ATOM 202 N THR A 17 -0.157 -2.900 -10.541 1.00 0.00 N ATOM 203 CA THR A 17 -0.188 -3.921 -11.580 1.00 0.00 C ATOM 204 C THR A 17 -1.229 -4.990 -11.270 1.00 0.00 C ATOM 205 O THR A 17 -1.728 -5.077 -10.148 1.00 0.00 O ATOM 206 CB THR A 17 1.188 -4.593 -11.747 1.00 0.00 C ATOM 207 OG1 THR A 17 1.301 -5.158 -13.058 1.00 0.00 O ATOM 208 CG2 THR A 17 1.390 -5.680 -10.702 1.00 0.00 C ATOM 0 H THR A 17 0.295 -3.194 -9.675 1.00 0.00 H new ATOM 0 HA THR A 17 -0.454 -3.418 -12.510 1.00 0.00 H new ATOM 0 HB THR A 17 1.958 -3.833 -11.611 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.179 -5.582 -13.157 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.368 -6.140 -10.840 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.332 -5.242 -9.706 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.614 -6.438 -10.811 1.00 0.00 H new ATOM 216 N ARG A 18 -1.552 -5.803 -12.271 1.00 0.00 N ATOM 217 CA ARG A 18 -2.535 -6.867 -12.104 1.00 0.00 C ATOM 218 C ARG A 18 -3.747 -6.369 -11.322 1.00 0.00 C ATOM 219 O ARG A 18 -4.250 -7.057 -10.434 1.00 0.00 O ATOM 220 CB ARG A 18 -1.906 -8.062 -11.386 1.00 0.00 C ATOM 221 CG ARG A 18 -0.891 -8.815 -12.230 1.00 0.00 C ATOM 222 CD ARG A 18 -0.296 -9.990 -11.470 1.00 0.00 C ATOM 223 NE ARG A 18 0.529 -9.553 -10.346 1.00 0.00 N ATOM 224 CZ ARG A 18 0.986 -10.374 -9.407 1.00 0.00 C ATOM 225 NH1 ARG A 18 0.702 -11.668 -9.458 1.00 0.00 N ATOM 226 NH2 ARG A 18 1.731 -9.901 -8.416 1.00 0.00 N ATOM 0 H ARG A 18 -1.147 -5.745 -13.206 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.867 -7.180 -13.094 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.420 -7.713 -10.475 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.696 -8.750 -11.083 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.369 -9.174 -13.141 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.094 -8.136 -12.534 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.099 -10.629 -11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.306 -10.593 -12.149 1.00 0.00 H new ATOM 0 HE ARG A 18 0.767 -8.563 -10.279 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.131 -12.035 -10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.054 -12.296 -8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.953 -8.906 -8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.081 -10.532 -7.695 1.00 0.00 H new ATOM 240 N SER A 19 -4.211 -5.170 -11.659 1.00 0.00 N ATOM 241 CA SER A 19 -5.361 -4.579 -10.986 1.00 0.00 C ATOM 242 C SER A 19 -6.593 -5.465 -11.136 1.00 0.00 C ATOM 243 O SER A 19 -7.284 -5.420 -12.154 1.00 0.00 O ATOM 244 CB SER A 19 -5.648 -3.186 -11.550 1.00 0.00 C ATOM 245 OG SER A 19 -6.172 -3.267 -12.865 1.00 0.00 O ATOM 0 H SER A 19 -3.808 -4.589 -12.394 1.00 0.00 H new ATOM 0 HA SER A 19 -5.125 -4.492 -9.925 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.356 -2.667 -10.904 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.731 -2.596 -11.556 1.00 0.00 H new ATOM 0 HG SER A 19 -6.522 -4.169 -13.023 1.00 0.00 H new ATOM 251 N SER A 20 -6.863 -6.271 -10.114 1.00 0.00 N ATOM 252 CA SER A 20 -8.010 -7.172 -10.133 1.00 0.00 C ATOM 253 C SER A 20 -9.080 -6.710 -9.149 1.00 0.00 C ATOM 254 O SER A 20 -8.807 -5.988 -8.190 1.00 0.00 O ATOM 255 CB SER A 20 -7.571 -8.598 -9.794 1.00 0.00 C ATOM 256 OG SER A 20 -6.969 -9.226 -10.912 1.00 0.00 O ATOM 0 H SER A 20 -6.303 -6.319 -9.263 1.00 0.00 H new ATOM 0 HA SER A 20 -8.434 -7.159 -11.137 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.867 -8.577 -8.962 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.433 -9.179 -9.467 1.00 0.00 H new ATOM 0 HG SER A 20 -6.696 -10.135 -10.669 1.00 0.00 H new ATOM 262 N PRO A 21 -10.329 -7.134 -9.392 1.00 0.00 N ATOM 263 CA PRO A 21 -11.466 -6.777 -8.539 1.00 0.00 C ATOM 264 C PRO A 21 -11.399 -7.448 -7.171 1.00 0.00 C ATOM 265 O PRO A 21 -11.673 -6.822 -6.148 1.00 0.00 O ATOM 266 CB PRO A 21 -12.675 -7.289 -9.327 1.00 0.00 C ATOM 267 CG PRO A 21 -12.136 -8.390 -10.173 1.00 0.00 C ATOM 268 CD PRO A 21 -10.727 -7.997 -10.517 1.00 0.00 C ATOM 0 HA PRO A 21 -11.498 -5.708 -8.329 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.459 -7.649 -8.660 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.114 -6.499 -9.937 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.157 -9.339 -9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.736 -8.519 -11.074 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.077 -8.868 -10.605 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.679 -7.466 -11.468 1.00 0.00 H new ATOM 276 N SER A 22 -11.031 -8.726 -7.162 1.00 0.00 N ATOM 277 CA SER A 22 -10.931 -9.483 -5.919 1.00 0.00 C ATOM 278 C SER A 22 -9.608 -9.198 -5.215 1.00 0.00 C ATOM 279 O SER A 22 -9.561 -9.050 -3.994 1.00 0.00 O ATOM 280 CB SER A 22 -11.061 -10.981 -6.199 1.00 0.00 C ATOM 281 OG SER A 22 -12.251 -11.266 -6.914 1.00 0.00 O ATOM 0 H SER A 22 -10.798 -9.258 -8.000 1.00 0.00 H new ATOM 0 HA SER A 22 -11.745 -9.171 -5.265 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.199 -11.323 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.058 -11.531 -5.258 1.00 0.00 H new ATOM 0 HG SER A 22 -12.309 -12.230 -7.082 1.00 0.00 H new ATOM 287 N SER A 23 -8.534 -9.123 -5.995 1.00 0.00 N ATOM 288 CA SER A 23 -7.209 -8.860 -5.447 1.00 0.00 C ATOM 289 C SER A 23 -6.579 -7.639 -6.110 1.00 0.00 C ATOM 290 O SER A 23 -7.005 -7.212 -7.184 1.00 0.00 O ATOM 291 CB SER A 23 -6.304 -10.079 -5.635 1.00 0.00 C ATOM 292 OG SER A 23 -5.921 -10.225 -6.991 1.00 0.00 O ATOM 0 H SER A 23 -8.556 -9.241 -7.008 1.00 0.00 H new ATOM 0 HA SER A 23 -7.318 -8.658 -4.381 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.416 -9.976 -5.012 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.824 -10.977 -5.302 1.00 0.00 H new ATOM 0 HG SER A 23 -5.342 -11.010 -7.085 1.00 0.00 H new ATOM 298 N LEU A 24 -5.563 -7.080 -5.462 1.00 0.00 N ATOM 299 CA LEU A 24 -4.873 -5.907 -5.988 1.00 0.00 C ATOM 300 C LEU A 24 -3.382 -5.964 -5.670 1.00 0.00 C ATOM 301 O LEU A 24 -2.977 -5.822 -4.517 1.00 0.00 O ATOM 302 CB LEU A 24 -5.481 -4.629 -5.406 1.00 0.00 C ATOM 303 CG LEU A 24 -6.748 -4.117 -6.091 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.516 -3.186 -5.165 1.00 0.00 C ATOM 305 CD2 LEU A 24 -6.401 -3.410 -7.393 1.00 0.00 C ATOM 0 H LEU A 24 -5.199 -7.420 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.995 -5.900 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.706 -4.804 -4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.728 -3.842 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.384 -4.971 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.415 -2.831 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.796 -3.724 -4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.888 -2.335 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.315 -3.052 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.745 -2.565 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.894 -4.106 -8.061 1.00 0.00 H new ATOM 317 N SER A 25 -2.570 -6.171 -6.702 1.00 0.00 N ATOM 318 CA SER A 25 -1.124 -6.249 -6.533 1.00 0.00 C ATOM 319 C SER A 25 -0.508 -4.855 -6.473 1.00 0.00 C ATOM 320 O SER A 25 -0.992 -3.921 -7.115 1.00 0.00 O ATOM 321 CB SER A 25 -0.497 -7.046 -7.679 1.00 0.00 C ATOM 322 OG SER A 25 0.795 -7.511 -7.331 1.00 0.00 O ATOM 0 H SER A 25 -2.889 -6.288 -7.664 1.00 0.00 H new ATOM 0 HA SER A 25 -0.921 -6.759 -5.591 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.136 -7.893 -7.929 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.434 -6.420 -8.569 1.00 0.00 H new ATOM 0 HG SER A 25 1.469 -7.027 -7.853 1.00 0.00 H new ATOM 328 N LEU A 26 0.562 -4.720 -5.697 1.00 0.00 N ATOM 329 CA LEU A 26 1.245 -3.440 -5.551 1.00 0.00 C ATOM 330 C LEU A 26 2.752 -3.606 -5.716 1.00 0.00 C ATOM 331 O LEU A 26 3.295 -4.690 -5.505 1.00 0.00 O ATOM 332 CB LEU A 26 0.935 -2.827 -4.184 1.00 0.00 C ATOM 333 CG LEU A 26 -0.547 -2.682 -3.835 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.732 -2.570 -2.329 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.145 -1.472 -4.538 1.00 0.00 C ATOM 0 H LEU A 26 0.975 -5.482 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 26 0.883 -2.772 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.410 -3.439 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.397 -1.841 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.071 -3.574 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.793 -2.467 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.341 -3.466 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.195 -1.696 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.200 -1.385 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.618 -0.571 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.046 -1.592 -5.617 1.00 0.00 H new ATOM 347 N ALA A 27 3.424 -2.522 -6.092 1.00 0.00 N ATOM 348 CA ALA A 27 4.869 -2.546 -6.281 1.00 0.00 C ATOM 349 C ALA A 27 5.424 -1.136 -6.455 1.00 0.00 C ATOM 350 O ALA A 27 4.961 -0.378 -7.307 1.00 0.00 O ATOM 351 CB ALA A 27 5.230 -3.409 -7.482 1.00 0.00 C ATOM 0 H ALA A 27 2.990 -1.616 -6.272 1.00 0.00 H new ATOM 0 HA ALA A 27 5.320 -2.978 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.312 -3.418 -7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.876 -4.427 -7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.761 -3.001 -8.377 1.00 0.00 H new ATOM 357 N TRP A 28 6.416 -0.792 -5.642 1.00 0.00 N ATOM 358 CA TRP A 28 7.033 0.528 -5.706 1.00 0.00 C ATOM 359 C TRP A 28 8.472 0.433 -6.199 1.00 0.00 C ATOM 360 O TRP A 28 9.035 -0.658 -6.294 1.00 0.00 O ATOM 361 CB TRP A 28 6.995 1.198 -4.331 1.00 0.00 C ATOM 362 CG TRP A 28 7.037 0.223 -3.194 1.00 0.00 C ATOM 363 CD1 TRP A 28 8.012 0.114 -2.243 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.063 -0.781 -2.890 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.702 -0.898 -1.366 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.511 -1.462 -1.740 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.855 -1.170 -3.474 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.793 -2.509 -1.168 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.144 -2.210 -2.906 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.614 -2.869 -1.762 1.00 0.00 C ATOM 0 H TRP A 28 6.810 -1.408 -4.931 1.00 0.00 H new ATOM 0 HA TRP A 28 6.466 1.133 -6.413 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.839 1.882 -4.245 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.089 1.798 -4.252 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.896 0.732 -2.188 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.267 -1.183 -0.566 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.483 -0.667 -4.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.154 -3.019 -0.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.210 -2.520 -3.351 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.034 -3.677 -1.341 1.00 0.00 H new ATOM 381 N ALA A 29 9.063 1.581 -6.512 1.00 0.00 N ATOM 382 CA ALA A 29 10.438 1.627 -6.994 1.00 0.00 C ATOM 383 C ALA A 29 11.410 1.911 -5.854 1.00 0.00 C ATOM 384 O ALA A 29 11.377 2.983 -5.249 1.00 0.00 O ATOM 385 CB ALA A 29 10.580 2.677 -8.086 1.00 0.00 C ATOM 0 H ALA A 29 8.611 2.492 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 29 10.684 0.650 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.612 2.700 -8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.920 2.429 -8.917 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.310 3.655 -7.688 1.00 0.00 H new ATOM 391 N VAL A 30 12.275 0.944 -5.565 1.00 0.00 N ATOM 392 CA VAL A 30 13.257 1.090 -4.497 1.00 0.00 C ATOM 393 C VAL A 30 13.867 2.488 -4.499 1.00 0.00 C ATOM 394 O VAL A 30 14.641 2.853 -5.385 1.00 0.00 O ATOM 395 CB VAL A 30 14.385 0.050 -4.625 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.437 0.266 -3.548 1.00 0.00 C ATOM 397 CG2 VAL A 30 13.819 -1.360 -4.554 1.00 0.00 C ATOM 0 H VAL A 30 12.316 0.051 -6.056 1.00 0.00 H new ATOM 0 HA VAL A 30 12.729 0.928 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 30 14.864 0.177 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.226 -0.479 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.864 1.264 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 30 14.977 0.168 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.630 -2.083 -4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.314 -1.502 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.107 -1.508 -5.366 1.00 0.00 H new ATOM 407 N PRO A 31 13.512 3.290 -3.485 1.00 0.00 N ATOM 408 CA PRO A 31 14.014 4.660 -3.346 1.00 0.00 C ATOM 409 C PRO A 31 15.496 4.702 -2.990 1.00 0.00 C ATOM 410 O PRO A 31 16.147 3.663 -2.883 1.00 0.00 O ATOM 411 CB PRO A 31 13.172 5.232 -2.202 1.00 0.00 C ATOM 412 CG PRO A 31 12.756 4.043 -1.407 1.00 0.00 C ATOM 413 CD PRO A 31 12.594 2.920 -2.394 1.00 0.00 C ATOM 0 HA PRO A 31 13.930 5.221 -4.277 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.749 5.931 -1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.308 5.777 -2.581 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.504 3.796 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.823 4.235 -0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.858 1.958 -1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.565 2.838 -2.745 1.00 0.00 H new ATOM 421 N ARG A 32 16.022 5.908 -2.806 1.00 0.00 N ATOM 422 CA ARG A 32 17.428 6.084 -2.462 1.00 0.00 C ATOM 423 C ARG A 32 17.574 6.843 -1.146 1.00 0.00 C ATOM 424 O ARG A 32 17.604 8.073 -1.127 1.00 0.00 O ATOM 425 CB ARG A 32 18.158 6.833 -3.578 1.00 0.00 C ATOM 426 CG ARG A 32 17.334 7.945 -4.206 1.00 0.00 C ATOM 427 CD ARG A 32 18.153 8.751 -5.201 1.00 0.00 C ATOM 428 NE ARG A 32 18.367 8.025 -6.450 1.00 0.00 N ATOM 429 CZ ARG A 32 17.397 7.750 -7.316 1.00 0.00 C ATOM 430 NH1 ARG A 32 16.154 8.141 -7.070 1.00 0.00 N ATOM 431 NH2 ARG A 32 17.670 7.085 -8.431 1.00 0.00 N ATOM 0 H ARG A 32 15.496 6.778 -2.889 1.00 0.00 H new ATOM 0 HA ARG A 32 17.874 5.096 -2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 32 19.079 7.257 -3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.445 6.123 -4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.467 7.517 -4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.956 8.605 -3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.644 9.692 -5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 32 19.117 9.002 -4.758 1.00 0.00 H new ATOM 0 HE ARG A 32 19.313 7.712 -6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.941 8.654 -6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.411 7.929 -7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.625 6.784 -8.624 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.925 6.875 -9.095 1.00 0.00 H new ATOM 445 N ALA A 33 17.665 6.100 -0.048 1.00 0.00 N ATOM 446 CA ALA A 33 17.810 6.702 1.272 1.00 0.00 C ATOM 447 C ALA A 33 19.263 7.074 1.549 1.00 0.00 C ATOM 448 O ALA A 33 20.195 6.380 1.143 1.00 0.00 O ATOM 449 CB ALA A 33 17.293 5.754 2.344 1.00 0.00 C ATOM 0 H ALA A 33 17.641 5.080 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 33 17.217 7.616 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.407 6.216 3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.239 5.541 2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.861 4.825 2.313 1.00 0.00 H new ATOM 455 N PRO A 34 19.462 8.197 2.255 1.00 0.00 N ATOM 456 CA PRO A 34 20.800 8.687 2.602 1.00 0.00 C ATOM 457 C PRO A 34 21.494 7.800 3.630 1.00 0.00 C ATOM 458 O PRO A 34 22.712 7.627 3.592 1.00 0.00 O ATOM 459 CB PRO A 34 20.528 10.074 3.189 1.00 0.00 C ATOM 460 CG PRO A 34 19.130 10.002 3.699 1.00 0.00 C ATOM 461 CD PRO A 34 18.398 9.074 2.771 1.00 0.00 C ATOM 0 HA PRO A 34 21.467 8.697 1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.230 10.310 3.989 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.634 10.852 2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.107 9.628 4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.667 10.989 3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.629 8.507 3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 34 17.901 9.618 1.968 1.00 0.00 H new ATOM 469 N SER A 35 20.711 7.240 4.546 1.00 0.00 N ATOM 470 CA SER A 35 21.252 6.373 5.587 1.00 0.00 C ATOM 471 C SER A 35 22.026 5.209 4.976 1.00 0.00 C ATOM 472 O SER A 35 23.180 4.965 5.327 1.00 0.00 O ATOM 473 CB SER A 35 20.124 5.841 6.474 1.00 0.00 C ATOM 474 OG SER A 35 19.548 6.881 7.245 1.00 0.00 O ATOM 0 H SER A 35 19.700 7.371 4.589 1.00 0.00 H new ATOM 0 HA SER A 35 21.937 6.962 6.197 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.357 5.377 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 35 20.512 5.066 7.135 1.00 0.00 H new ATOM 0 HG SER A 35 18.829 6.516 7.802 1.00 0.00 H new ATOM 480 N GLY A 36 21.382 4.494 4.059 1.00 0.00 N ATOM 481 CA GLY A 36 22.024 3.364 3.414 1.00 0.00 C ATOM 482 C GLY A 36 21.086 2.614 2.489 1.00 0.00 C ATOM 483 O GLY A 36 21.247 2.650 1.269 1.00 0.00 O ATOM 0 H GLY A 36 20.427 4.677 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.885 3.715 2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 36 22.401 2.681 4.175 1.00 0.00 H new ATOM 487 N ALA A 37 20.105 1.932 3.070 1.00 0.00 N ATOM 488 CA ALA A 37 19.138 1.171 2.289 1.00 0.00 C ATOM 489 C ALA A 37 17.899 0.844 3.117 1.00 0.00 C ATOM 490 O ALA A 37 17.930 0.898 4.347 1.00 0.00 O ATOM 491 CB ALA A 37 19.774 -0.106 1.761 1.00 0.00 C ATOM 0 H ALA A 37 19.959 1.891 4.079 1.00 0.00 H new ATOM 0 HA ALA A 37 18.827 1.785 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.040 -0.664 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.624 0.146 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.114 -0.716 2.598 1.00 0.00 H new ATOM 497 N VAL A 38 16.810 0.506 2.435 1.00 0.00 N ATOM 498 CA VAL A 38 15.560 0.170 3.108 1.00 0.00 C ATOM 499 C VAL A 38 15.509 -1.311 3.464 1.00 0.00 C ATOM 500 O VAL A 38 15.914 -2.165 2.674 1.00 0.00 O ATOM 501 CB VAL A 38 14.341 0.519 2.234 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.048 0.244 2.987 1.00 0.00 C ATOM 503 CG2 VAL A 38 14.407 1.971 1.784 1.00 0.00 C ATOM 0 H VAL A 38 16.767 0.457 1.417 1.00 0.00 H new ATOM 0 HA VAL A 38 15.523 0.762 4.022 1.00 0.00 H new ATOM 0 HB VAL A 38 14.358 -0.114 1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.197 0.497 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.000 -0.812 3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.019 0.850 3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.538 2.201 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.414 2.623 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.316 2.131 1.204 1.00 0.00 H new ATOM 513 N LEU A 39 15.008 -1.610 4.658 1.00 0.00 N ATOM 514 CA LEU A 39 14.903 -2.989 5.120 1.00 0.00 C ATOM 515 C LEU A 39 13.544 -3.582 4.761 1.00 0.00 C ATOM 516 O LEU A 39 13.455 -4.532 3.984 1.00 0.00 O ATOM 517 CB LEU A 39 15.119 -3.059 6.633 1.00 0.00 C ATOM 518 CG LEU A 39 16.472 -2.558 7.141 1.00 0.00 C ATOM 519 CD1 LEU A 39 16.381 -2.177 8.611 1.00 0.00 C ATOM 520 CD2 LEU A 39 17.546 -3.614 6.927 1.00 0.00 C ATOM 0 H LEU A 39 14.668 -0.916 5.323 1.00 0.00 H new ATOM 0 HA LEU A 39 15.677 -3.573 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.334 -2.480 7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.995 -4.094 6.950 1.00 0.00 H new ATOM 0 HG LEU A 39 16.747 -1.670 6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 39 17.352 -1.823 8.956 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.641 -1.387 8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 39 16.084 -3.048 9.195 1.00 0.00 H new ATOM 0 HD21 LEU A 39 18.502 -3.240 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 39 17.278 -4.521 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 39 17.629 -3.839 5.864 1.00 0.00 H new ATOM 532 N ASP A 40 12.487 -3.012 5.331 1.00 0.00 N ATOM 533 CA ASP A 40 11.132 -3.481 5.069 1.00 0.00 C ATOM 534 C ASP A 40 10.202 -2.311 4.761 1.00 0.00 C ATOM 535 O ASP A 40 10.624 -1.154 4.757 1.00 0.00 O ATOM 536 CB ASP A 40 10.601 -4.268 6.267 1.00 0.00 C ATOM 537 CG ASP A 40 11.687 -5.063 6.965 1.00 0.00 C ATOM 538 OD1 ASP A 40 12.531 -4.444 7.647 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.693 -6.304 6.829 1.00 0.00 O ATOM 0 H ASP A 40 12.543 -2.225 5.977 1.00 0.00 H new ATOM 0 HA ASP A 40 11.163 -4.136 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.146 -3.579 6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.816 -4.946 5.933 1.00 0.00 H new ATOM 544 N TYR A 41 8.937 -2.620 4.502 1.00 0.00 N ATOM 545 CA TYR A 41 7.948 -1.595 4.189 1.00 0.00 C ATOM 546 C TYR A 41 6.642 -1.852 4.935 1.00 0.00 C ATOM 547 O TYR A 41 6.471 -2.894 5.567 1.00 0.00 O ATOM 548 CB TYR A 41 7.687 -1.551 2.682 1.00 0.00 C ATOM 549 CG TYR A 41 8.947 -1.603 1.848 1.00 0.00 C ATOM 550 CD1 TYR A 41 9.641 -2.795 1.676 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.445 -0.461 1.233 1.00 0.00 C ATOM 552 CE1 TYR A 41 10.793 -2.847 0.915 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.595 -0.504 0.469 1.00 0.00 C ATOM 554 CZ TYR A 41 11.266 -1.700 0.314 1.00 0.00 C ATOM 555 OH TYR A 41 12.413 -1.747 -0.445 1.00 0.00 O ATOM 0 H TYR A 41 8.572 -3.572 4.502 1.00 0.00 H new ATOM 0 HA TYR A 41 8.346 -0.632 4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.045 -2.388 2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.140 -0.639 2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.274 -3.696 2.145 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.924 0.477 1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.320 -3.781 0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.967 0.393 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 41 12.608 -0.854 -0.798 1.00 0.00 H new ATOM 565 N GLU A 42 5.724 -0.894 4.855 1.00 0.00 N ATOM 566 CA GLU A 42 4.433 -1.016 5.522 1.00 0.00 C ATOM 567 C GLU A 42 3.300 -0.572 4.601 1.00 0.00 C ATOM 568 O GLU A 42 3.263 0.573 4.152 1.00 0.00 O ATOM 569 CB GLU A 42 4.417 -0.183 6.806 1.00 0.00 C ATOM 570 CG GLU A 42 3.496 -0.737 7.879 1.00 0.00 C ATOM 571 CD GLU A 42 4.182 -1.755 8.769 1.00 0.00 C ATOM 572 OE1 GLU A 42 5.129 -2.417 8.294 1.00 0.00 O ATOM 573 OE2 GLU A 42 3.772 -1.890 9.941 1.00 0.00 O ATOM 0 H GLU A 42 5.850 -0.025 4.335 1.00 0.00 H new ATOM 0 HA GLU A 42 4.282 -2.065 5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.430 -0.124 7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.110 0.835 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.124 0.084 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.630 -1.199 7.406 1.00 0.00 H new ATOM 580 N VAL A 43 2.378 -1.488 4.324 1.00 0.00 N ATOM 581 CA VAL A 43 1.243 -1.192 3.457 1.00 0.00 C ATOM 582 C VAL A 43 -0.014 -0.916 4.273 1.00 0.00 C ATOM 583 O VAL A 43 -0.407 -1.718 5.121 1.00 0.00 O ATOM 584 CB VAL A 43 0.965 -2.352 2.482 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.366 -2.147 1.775 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.097 -2.485 1.476 1.00 0.00 C ATOM 0 H VAL A 43 2.394 -2.441 4.687 1.00 0.00 H new ATOM 0 HA VAL A 43 1.504 -0.301 2.886 1.00 0.00 H new ATOM 0 HB VAL A 43 0.907 -3.278 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.546 -2.976 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.167 -2.105 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.340 -1.213 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.884 -3.309 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.189 -1.560 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.031 -2.682 2.003 1.00 0.00 H new ATOM 596 N LYS A 44 -0.643 0.225 4.012 1.00 0.00 N ATOM 597 CA LYS A 44 -1.859 0.609 4.720 1.00 0.00 C ATOM 598 C LYS A 44 -2.994 0.890 3.741 1.00 0.00 C ATOM 599 O LYS A 44 -2.952 1.865 2.991 1.00 0.00 O ATOM 600 CB LYS A 44 -1.600 1.844 5.586 1.00 0.00 C ATOM 601 CG LYS A 44 -2.703 2.122 6.593 1.00 0.00 C ATOM 602 CD LYS A 44 -2.209 2.996 7.734 1.00 0.00 C ATOM 603 CE LYS A 44 -2.380 4.474 7.419 1.00 0.00 C ATOM 604 NZ LYS A 44 -2.470 5.298 8.656 1.00 0.00 N ATOM 0 H LYS A 44 -0.331 0.901 3.315 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.154 -0.222 5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.658 1.713 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.483 2.713 4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.538 2.612 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.079 1.180 6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.756 2.751 8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.158 2.784 7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.540 4.816 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.281 4.616 6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.586 6.299 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.287 4.989 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.600 5.183 9.214 1.00 0.00 H new ATOM 618 N TYR A 45 -4.006 0.030 3.754 1.00 0.00 N ATOM 619 CA TYR A 45 -5.152 0.186 2.866 1.00 0.00 C ATOM 620 C TYR A 45 -6.449 0.293 3.663 1.00 0.00 C ATOM 621 O TYR A 45 -6.794 -0.604 4.433 1.00 0.00 O ATOM 622 CB TYR A 45 -5.234 -0.992 1.893 1.00 0.00 C ATOM 623 CG TYR A 45 -5.420 -2.328 2.575 1.00 0.00 C ATOM 624 CD1 TYR A 45 -4.380 -2.923 3.277 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.638 -2.996 2.518 1.00 0.00 C ATOM 626 CE1 TYR A 45 -4.545 -4.145 3.901 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.813 -4.217 3.140 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.764 -4.787 3.830 1.00 0.00 C ATOM 629 OH TYR A 45 -5.933 -6.003 4.451 1.00 0.00 O ATOM 0 H TYR A 45 -4.056 -0.782 4.369 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.018 1.108 2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.062 -0.827 1.204 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.323 -1.022 1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.425 -2.422 3.336 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.462 -2.553 1.978 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.725 -4.595 4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.766 -4.722 3.086 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.849 -6.320 4.306 1.00 0.00 H new ATOM 639 N HIS A 46 -7.164 1.397 3.472 1.00 0.00 N ATOM 640 CA HIS A 46 -8.424 1.623 4.171 1.00 0.00 C ATOM 641 C HIS A 46 -9.514 2.061 3.199 1.00 0.00 C ATOM 642 O HIS A 46 -9.230 2.658 2.161 1.00 0.00 O ATOM 643 CB HIS A 46 -8.244 2.678 5.263 1.00 0.00 C ATOM 644 CG HIS A 46 -8.417 4.083 4.772 1.00 0.00 C ATOM 645 ND1 HIS A 46 -7.717 4.598 3.702 1.00 0.00 N ATOM 646 CD2 HIS A 46 -9.219 5.081 5.211 1.00 0.00 C ATOM 647 CE1 HIS A 46 -8.079 5.853 3.505 1.00 0.00 C ATOM 648 NE2 HIS A 46 -8.990 6.171 4.407 1.00 0.00 N ATOM 0 H HIS A 46 -6.892 2.149 2.839 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.729 0.683 4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.962 2.490 6.061 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.250 2.573 5.698 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.910 5.030 6.039 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.695 6.508 2.737 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.449 7.078 4.493 1.00 0.00 H new ATOM 657 N GLU A 47 -10.763 1.759 3.542 1.00 0.00 N ATOM 658 CA GLU A 47 -11.895 2.121 2.697 1.00 0.00 C ATOM 659 C GLU A 47 -12.146 3.626 2.738 1.00 0.00 C ATOM 660 O GLU A 47 -11.808 4.297 3.714 1.00 0.00 O ATOM 661 CB GLU A 47 -13.152 1.371 3.143 1.00 0.00 C ATOM 662 CG GLU A 47 -14.138 1.111 2.015 1.00 0.00 C ATOM 663 CD GLU A 47 -15.524 0.763 2.521 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.622 0.060 3.548 1.00 0.00 O ATOM 665 OE2 GLU A 47 -16.511 1.195 1.889 1.00 0.00 O ATOM 0 H GLU A 47 -11.016 1.265 4.398 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.656 1.838 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.859 0.419 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.650 1.945 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.198 1.994 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.767 0.296 1.394 1.00 0.00 H new ATOM 672 N LYS A 48 -12.740 4.150 1.672 1.00 0.00 N ATOM 673 CA LYS A 48 -13.038 5.574 1.584 1.00 0.00 C ATOM 674 C LYS A 48 -14.334 5.906 2.318 1.00 0.00 C ATOM 675 O LYS A 48 -15.136 6.711 1.849 1.00 0.00 O ATOM 676 CB LYS A 48 -13.145 6.005 0.119 1.00 0.00 C ATOM 677 CG LYS A 48 -13.021 7.505 -0.084 1.00 0.00 C ATOM 678 CD LYS A 48 -11.584 7.972 0.074 1.00 0.00 C ATOM 679 CE LYS A 48 -11.401 9.396 -0.428 1.00 0.00 C ATOM 680 NZ LYS A 48 -11.965 10.395 0.520 1.00 0.00 N ATOM 0 H LYS A 48 -13.025 3.609 0.856 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.222 6.119 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.367 5.503 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.102 5.671 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.383 7.770 -1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.654 8.024 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.296 7.915 1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.921 7.304 -0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.340 9.595 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.884 9.504 -1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.820 11.353 0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.983 10.221 0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.486 10.310 1.439 1.00 0.00 H new ATOM 769 N VAL A 56 -8.764 0.558 9.333 1.00 0.00 N ATOM 770 CA VAL A 56 -7.757 0.276 8.318 1.00 0.00 C ATOM 771 C VAL A 56 -6.915 -0.936 8.700 1.00 0.00 C ATOM 772 O VAL A 56 -6.752 -1.244 9.881 1.00 0.00 O ATOM 773 CB VAL A 56 -6.827 1.485 8.100 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.124 1.859 9.396 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.817 1.187 7.002 1.00 0.00 C ATOM 0 HA VAL A 56 -8.292 0.065 7.392 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.432 2.335 7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.472 2.715 9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.866 2.116 10.152 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.529 1.014 9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.168 2.051 6.861 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.215 0.324 7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.343 0.973 6.072 1.00 0.00 H new ATOM 785 N ARG A 57 -6.382 -1.620 7.693 1.00 0.00 N ATOM 786 CA ARG A 57 -5.557 -2.800 7.924 1.00 0.00 C ATOM 787 C ARG A 57 -4.083 -2.489 7.681 1.00 0.00 C ATOM 788 O ARG A 57 -3.746 -1.496 7.037 1.00 0.00 O ATOM 789 CB ARG A 57 -6.004 -3.947 7.015 1.00 0.00 C ATOM 790 CG ARG A 57 -7.172 -4.745 7.570 1.00 0.00 C ATOM 791 CD ARG A 57 -8.384 -3.860 7.817 1.00 0.00 C ATOM 792 NE ARG A 57 -9.614 -4.638 7.941 1.00 0.00 N ATOM 793 CZ ARG A 57 -10.342 -5.032 6.902 1.00 0.00 C ATOM 794 NH1 ARG A 57 -9.965 -4.722 5.669 1.00 0.00 N ATOM 795 NH2 ARG A 57 -11.449 -5.738 7.095 1.00 0.00 N ATOM 0 H ARG A 57 -6.506 -1.378 6.710 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.680 -3.101 8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.282 -3.541 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.161 -4.619 6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.436 -5.539 6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.875 -5.226 8.502 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.229 -3.279 8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.486 -3.148 6.998 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.931 -4.893 8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.114 -4.180 5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.526 -5.026 4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.742 -5.979 8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.007 -6.040 6.296 1.00 0.00 H new ATOM 809 N PHE A 58 -3.210 -3.345 8.202 1.00 0.00 N ATOM 810 CA PHE A 58 -1.772 -3.160 8.044 1.00 0.00 C ATOM 811 C PHE A 58 -1.112 -4.441 7.542 1.00 0.00 C ATOM 812 O PHE A 58 -1.378 -5.531 8.050 1.00 0.00 O ATOM 813 CB PHE A 58 -1.142 -2.735 9.372 1.00 0.00 C ATOM 814 CG PHE A 58 -1.194 -1.253 9.612 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.364 -0.649 10.044 1.00 0.00 C ATOM 816 CD2 PHE A 58 -0.074 -0.464 9.407 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.415 0.714 10.266 1.00 0.00 C ATOM 818 CE2 PHE A 58 -0.119 0.899 9.627 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.291 1.489 10.059 1.00 0.00 C ATOM 0 H PHE A 58 -3.473 -4.173 8.737 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.610 -2.375 7.306 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.654 -3.245 10.188 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.103 -3.062 9.393 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.246 -1.250 10.209 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.846 -0.920 9.071 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.333 1.173 10.601 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.761 1.503 9.461 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.328 2.554 10.234 1.00 0.00 H new ATOM 829 N LEU A 59 -0.250 -4.302 6.541 1.00 0.00 N ATOM 830 CA LEU A 59 0.449 -5.447 5.968 1.00 0.00 C ATOM 831 C LEU A 59 1.959 -5.233 5.997 1.00 0.00 C ATOM 832 O LEU A 59 2.483 -4.335 5.338 1.00 0.00 O ATOM 833 CB LEU A 59 -0.016 -5.687 4.531 1.00 0.00 C ATOM 834 CG LEU A 59 0.856 -6.620 3.690 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.471 -8.071 3.929 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.740 -6.272 2.213 1.00 0.00 C ATOM 0 H LEU A 59 -0.018 -3.407 6.109 1.00 0.00 H new ATOM 0 HA LEU A 59 0.213 -6.324 6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.026 -6.095 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.076 -4.724 4.024 1.00 0.00 H new ATOM 0 HG LEU A 59 1.894 -6.486 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.102 -8.720 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.607 -8.315 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.573 -8.220 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.367 -6.946 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.297 -6.376 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.067 -5.244 2.055 1.00 0.00 H new ATOM 848 N LYS A 60 2.655 -6.066 6.764 1.00 0.00 N ATOM 849 CA LYS A 60 4.105 -5.972 6.877 1.00 0.00 C ATOM 850 C LYS A 60 4.790 -6.853 5.837 1.00 0.00 C ATOM 851 O LYS A 60 4.584 -8.067 5.803 1.00 0.00 O ATOM 852 CB LYS A 60 4.555 -6.379 8.282 1.00 0.00 C ATOM 853 CG LYS A 60 4.291 -5.317 9.336 1.00 0.00 C ATOM 854 CD LYS A 60 4.135 -5.930 10.718 1.00 0.00 C ATOM 855 CE LYS A 60 3.836 -4.871 11.767 1.00 0.00 C ATOM 856 NZ LYS A 60 3.386 -5.474 13.052 1.00 0.00 N ATOM 0 H LYS A 60 2.237 -6.814 7.317 1.00 0.00 H new ATOM 0 HA LYS A 60 4.392 -4.936 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.042 -7.298 8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.622 -6.603 8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.112 -4.600 9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.388 -4.764 9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.331 -6.665 10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.048 -6.462 10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.729 -4.270 11.941 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.066 -4.197 11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.192 -4.719 13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.520 -6.027 12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.131 -6.098 13.423 1.00 0.00 H new ATOM 870 N THR A 61 5.608 -6.236 4.991 1.00 0.00 N ATOM 871 CA THR A 61 6.324 -6.964 3.951 1.00 0.00 C ATOM 872 C THR A 61 7.796 -6.566 3.915 1.00 0.00 C ATOM 873 O THR A 61 8.151 -5.433 4.240 1.00 0.00 O ATOM 874 CB THR A 61 5.703 -6.716 2.563 1.00 0.00 C ATOM 875 OG1 THR A 61 6.366 -7.519 1.580 1.00 0.00 O ATOM 876 CG2 THR A 61 5.805 -5.248 2.179 1.00 0.00 C ATOM 0 H THR A 61 5.791 -5.233 5.006 1.00 0.00 H new ATOM 0 HA THR A 61 6.243 -8.024 4.194 1.00 0.00 H new ATOM 0 HB THR A 61 4.649 -6.991 2.606 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.965 -7.357 0.701 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.360 -5.097 1.195 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.275 -4.642 2.914 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.853 -4.951 2.152 1.00 0.00 H new ATOM 884 N SER A 62 8.648 -7.505 3.517 1.00 0.00 N ATOM 885 CA SER A 62 10.082 -7.253 3.441 1.00 0.00 C ATOM 886 C SER A 62 10.535 -7.123 1.990 1.00 0.00 C ATOM 887 O SER A 62 11.658 -7.489 1.645 1.00 0.00 O ATOM 888 CB SER A 62 10.856 -8.379 4.130 1.00 0.00 C ATOM 889 OG SER A 62 11.033 -9.483 3.259 1.00 0.00 O ATOM 0 H SER A 62 8.370 -8.447 3.242 1.00 0.00 H new ATOM 0 HA SER A 62 10.288 -6.313 3.953 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.828 -8.010 4.456 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.320 -8.699 5.024 1.00 0.00 H new ATOM 0 HG SER A 62 11.577 -9.210 2.491 1.00 0.00 H new ATOM 895 N GLU A 63 9.652 -6.599 1.146 1.00 0.00 N ATOM 896 CA GLU A 63 9.960 -6.421 -0.268 1.00 0.00 C ATOM 897 C GLU A 63 9.275 -5.175 -0.822 1.00 0.00 C ATOM 898 O GLU A 63 8.528 -4.500 -0.116 1.00 0.00 O ATOM 899 CB GLU A 63 9.526 -7.652 -1.067 1.00 0.00 C ATOM 900 CG GLU A 63 10.162 -8.946 -0.584 1.00 0.00 C ATOM 901 CD GLU A 63 11.675 -8.919 -0.668 1.00 0.00 C ATOM 902 OE1 GLU A 63 12.212 -8.118 -1.461 1.00 0.00 O ATOM 903 OE2 GLU A 63 12.323 -9.699 0.062 1.00 0.00 O ATOM 0 H GLU A 63 8.718 -6.290 1.417 1.00 0.00 H new ATOM 0 HA GLU A 63 11.038 -6.295 -0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.442 -7.747 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.780 -7.502 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.862 -9.131 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.784 -9.777 -1.179 1.00 0.00 H new ATOM 910 N ASN A 64 9.538 -4.877 -2.090 1.00 0.00 N ATOM 911 CA ASN A 64 8.948 -3.712 -2.739 1.00 0.00 C ATOM 912 C ASN A 64 7.699 -4.101 -3.525 1.00 0.00 C ATOM 913 O ASN A 64 7.307 -3.413 -4.467 1.00 0.00 O ATOM 914 CB ASN A 64 9.965 -3.052 -3.672 1.00 0.00 C ATOM 915 CG ASN A 64 10.082 -3.772 -5.002 1.00 0.00 C ATOM 916 OD1 ASN A 64 9.661 -4.920 -5.138 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.658 -3.098 -5.991 1.00 0.00 N ATOM 0 H ASN A 64 10.155 -5.426 -2.688 1.00 0.00 H new ATOM 0 HA ASN A 64 8.662 -3.002 -1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.675 -2.016 -3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.940 -3.032 -3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.766 -3.531 -6.908 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.993 -2.147 -5.833 1.00 0.00 H new ATOM 924 N ARG A 65 7.078 -5.207 -3.129 1.00 0.00 N ATOM 925 CA ARG A 65 5.874 -5.688 -3.795 1.00 0.00 C ATOM 926 C ARG A 65 4.999 -6.483 -2.830 1.00 0.00 C ATOM 927 O ARG A 65 5.486 -7.349 -2.106 1.00 0.00 O ATOM 928 CB ARG A 65 6.244 -6.556 -4.999 1.00 0.00 C ATOM 929 CG ARG A 65 7.150 -7.726 -4.650 1.00 0.00 C ATOM 930 CD ARG A 65 8.048 -8.102 -5.819 1.00 0.00 C ATOM 931 NE ARG A 65 7.333 -8.872 -6.833 1.00 0.00 N ATOM 932 CZ ARG A 65 7.872 -9.244 -7.988 1.00 0.00 C ATOM 933 NH1 ARG A 65 9.125 -8.920 -8.274 1.00 0.00 N ATOM 934 NH2 ARG A 65 7.157 -9.943 -8.861 1.00 0.00 N ATOM 0 H ARG A 65 7.389 -5.787 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 65 5.309 -4.822 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.331 -6.938 -5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.738 -5.935 -5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.763 -7.468 -3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.543 -8.585 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.453 -7.197 -6.271 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.895 -8.683 -5.453 1.00 0.00 H new ATOM 0 HE ARG A 65 6.367 -9.139 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.678 -8.383 -7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.536 -9.207 -9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.193 -10.195 -8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.572 -10.228 -9.748 1.00 0.00 H new ATOM 948 N ALA A 66 3.705 -6.180 -2.827 1.00 0.00 N ATOM 949 CA ALA A 66 2.762 -6.867 -1.953 1.00 0.00 C ATOM 950 C ALA A 66 1.536 -7.337 -2.729 1.00 0.00 C ATOM 951 O ALA A 66 1.320 -6.931 -3.870 1.00 0.00 O ATOM 952 CB ALA A 66 2.346 -5.957 -0.807 1.00 0.00 C ATOM 0 H ALA A 66 3.286 -5.464 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 66 3.259 -7.746 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.642 -6.483 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.226 -5.674 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.872 -5.061 -1.208 1.00 0.00 H new ATOM 958 N GLU A 67 0.738 -8.196 -2.103 1.00 0.00 N ATOM 959 CA GLU A 67 -0.465 -8.722 -2.737 1.00 0.00 C ATOM 960 C GLU A 67 -1.642 -8.708 -1.766 1.00 0.00 C ATOM 961 O GLU A 67 -1.562 -9.260 -0.667 1.00 0.00 O ATOM 962 CB GLU A 67 -0.222 -10.146 -3.240 1.00 0.00 C ATOM 963 CG GLU A 67 -1.371 -10.705 -4.062 1.00 0.00 C ATOM 964 CD GLU A 67 -0.946 -11.856 -4.953 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.544 -12.908 -4.411 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.013 -11.706 -6.191 1.00 0.00 O ATOM 0 H GLU A 67 0.903 -8.542 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.708 -8.081 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.686 -10.159 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.046 -10.799 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.162 -11.042 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.792 -9.910 -4.678 1.00 0.00 H new ATOM 973 N LEU A 68 -2.734 -8.073 -2.178 1.00 0.00 N ATOM 974 CA LEU A 68 -3.929 -7.986 -1.345 1.00 0.00 C ATOM 975 C LEU A 68 -5.062 -8.824 -1.929 1.00 0.00 C ATOM 976 O LEU A 68 -5.719 -8.415 -2.886 1.00 0.00 O ATOM 977 CB LEU A 68 -4.374 -6.529 -1.209 1.00 0.00 C ATOM 978 CG LEU A 68 -3.283 -5.525 -0.836 1.00 0.00 C ATOM 979 CD1 LEU A 68 -3.843 -4.111 -0.815 1.00 0.00 C ATOM 980 CD2 LEU A 68 -2.672 -5.878 0.512 1.00 0.00 C ATOM 0 H LEU A 68 -2.817 -7.611 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.684 -8.378 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.819 -6.217 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.159 -6.479 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.499 -5.572 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.052 -3.410 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.233 -3.859 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.646 -4.049 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.897 -5.153 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.447 -5.860 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.234 -6.875 0.463 1.00 0.00 H new ATOM 992 N ARG A 69 -5.285 -9.996 -1.345 1.00 0.00 N ATOM 993 CA ARG A 69 -6.339 -10.891 -1.806 1.00 0.00 C ATOM 994 C ARG A 69 -7.589 -10.750 -0.943 1.00 0.00 C ATOM 995 O ARG A 69 -7.500 -10.565 0.270 1.00 0.00 O ATOM 996 CB ARG A 69 -5.852 -12.342 -1.784 1.00 0.00 C ATOM 997 CG ARG A 69 -4.950 -12.699 -2.954 1.00 0.00 C ATOM 998 CD ARG A 69 -4.391 -14.106 -2.816 1.00 0.00 C ATOM 999 NE ARG A 69 -5.447 -15.101 -2.649 1.00 0.00 N ATOM 1000 CZ ARG A 69 -5.238 -16.322 -2.168 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -4.018 -16.696 -1.808 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -6.250 -17.170 -2.045 1.00 0.00 N ATOM 0 H ARG A 69 -4.750 -10.348 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.592 -10.615 -2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.314 -12.522 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.716 -13.007 -1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.511 -12.619 -3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.129 -11.984 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.800 -14.349 -3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.717 -14.146 -1.960 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.397 -14.845 -2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.237 -16.046 -1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.860 -17.634 -1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.190 -16.885 -2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.088 -18.107 -1.676 1.00 0.00 H new ATOM 1016 N GLY A 70 -8.754 -10.838 -1.578 1.00 0.00 N ATOM 1017 CA GLY A 70 -10.005 -10.717 -0.852 1.00 0.00 C ATOM 1018 C GLY A 70 -10.409 -9.273 -0.629 1.00 0.00 C ATOM 1019 O GLY A 70 -10.274 -8.747 0.476 1.00 0.00 O ATOM 0 H GLY A 70 -8.854 -10.991 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.793 -11.230 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.912 -11.218 0.112 1.00 0.00 H new ATOM 1023 N LEU A 71 -10.903 -8.630 -1.681 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.326 -7.236 -1.595 1.00 0.00 C ATOM 1025 C LEU A 71 -12.666 -7.030 -2.295 1.00 0.00 C ATOM 1026 O LEU A 71 -13.242 -7.968 -2.846 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.268 -6.322 -2.215 1.00 0.00 C ATOM 1028 CG LEU A 71 -8.836 -6.518 -1.715 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.837 -6.162 -2.805 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -8.588 -5.682 -0.468 1.00 0.00 C ATOM 0 H LEU A 71 -11.021 -9.051 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.444 -6.982 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.278 -6.469 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.557 -5.287 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.702 -7.568 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.823 -6.307 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.000 -6.803 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.971 -5.120 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.564 -5.834 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.741 -4.628 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.281 -5.985 0.317 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.156 -5.795 -2.271 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.426 -5.463 -2.906 1.00 0.00 C ATOM 1044 C LYS A 72 -14.232 -4.415 -3.996 1.00 0.00 C ATOM 1045 O LYS A 72 -14.086 -3.227 -3.709 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.422 -4.951 -1.863 1.00 0.00 C ATOM 1047 CG LYS A 72 -15.765 -5.975 -0.794 1.00 0.00 C ATOM 1048 CD LYS A 72 -17.014 -5.581 -0.024 1.00 0.00 C ATOM 1049 CE LYS A 72 -18.278 -5.965 -0.778 1.00 0.00 C ATOM 1050 NZ LYS A 72 -18.618 -7.403 -0.594 1.00 0.00 N ATOM 0 H LYS A 72 -12.693 -5.007 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.822 -6.369 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.009 -4.063 -1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.338 -4.644 -2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.915 -6.950 -1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.928 -6.076 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.009 -6.067 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.008 -4.506 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.108 -5.349 -0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.145 -5.756 -1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.485 -7.625 -1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.837 -7.992 -0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.770 -7.597 0.416 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.232 -4.862 -5.248 1.00 0.00 N ATOM 1065 CA ARG A 73 -14.056 -3.962 -6.381 1.00 0.00 C ATOM 1066 C ARG A 73 -15.034 -2.793 -6.304 1.00 0.00 C ATOM 1067 O ARG A 73 -16.057 -2.870 -5.626 1.00 0.00 O ATOM 1068 CB ARG A 73 -14.252 -4.719 -7.696 1.00 0.00 C ATOM 1069 CG ARG A 73 -15.656 -5.274 -7.876 1.00 0.00 C ATOM 1070 CD ARG A 73 -15.859 -5.832 -9.276 1.00 0.00 C ATOM 1071 NE ARG A 73 -17.221 -6.318 -9.479 1.00 0.00 N ATOM 1072 CZ ARG A 73 -17.610 -6.985 -10.560 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -16.745 -7.243 -11.530 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -18.867 -7.395 -10.671 1.00 0.00 N ATOM 0 H ARG A 73 -14.352 -5.842 -5.503 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.041 -3.567 -6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.025 -4.051 -8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.537 -5.540 -7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.835 -6.059 -7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.386 -4.487 -7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.637 -5.058 -10.011 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.154 -6.646 -9.448 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.912 -6.135 -8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.778 -6.929 -11.448 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.046 -7.755 -12.359 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.535 -7.198 -9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.165 -7.907 -11.501 1.00 0.00 H new ATOM 1088 N GLY A 74 -14.710 -1.710 -7.004 1.00 0.00 N ATOM 1089 CA GLY A 74 -15.569 -0.540 -7.000 1.00 0.00 C ATOM 1090 C GLY A 74 -15.325 0.355 -5.802 1.00 0.00 C ATOM 1091 O GLY A 74 -15.152 1.565 -5.947 1.00 0.00 O ATOM 0 H GLY A 74 -13.868 -1.622 -7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.405 0.030 -7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.611 -0.859 -7.005 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.312 -0.240 -4.613 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.087 0.511 -3.385 1.00 0.00 C ATOM 1097 C ALA A 75 -13.738 1.223 -3.416 1.00 0.00 C ATOM 1098 O ALA A 75 -12.689 0.583 -3.485 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.171 -0.412 -2.178 1.00 0.00 C ATOM 0 H ALA A 75 -15.455 -1.240 -4.475 1.00 0.00 H new ATOM 0 HA ALA A 75 -15.867 1.268 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.001 0.163 -1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.159 -0.870 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.413 -1.191 -2.262 1.00 0.00 H new ATOM 1105 N SER A 76 -13.774 2.551 -3.365 1.00 0.00 N ATOM 1106 CA SER A 76 -12.554 3.350 -3.392 1.00 0.00 C ATOM 1107 C SER A 76 -11.619 2.952 -2.254 1.00 0.00 C ATOM 1108 O SER A 76 -11.960 3.089 -1.078 1.00 0.00 O ATOM 1109 CB SER A 76 -12.892 4.838 -3.293 1.00 0.00 C ATOM 1110 OG SER A 76 -13.374 5.335 -4.530 1.00 0.00 O ATOM 0 H SER A 76 -14.634 3.096 -3.305 1.00 0.00 H new ATOM 0 HA SER A 76 -12.047 3.162 -4.338 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.643 4.993 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.005 5.397 -2.994 1.00 0.00 H new ATOM 0 HG SER A 76 -13.585 6.288 -4.440 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.439 2.459 -2.611 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.455 2.039 -1.621 1.00 0.00 C ATOM 1118 C TYR A 77 -8.181 2.872 -1.731 1.00 0.00 C ATOM 1119 O TYR A 77 -7.511 2.869 -2.764 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.124 0.556 -1.797 1.00 0.00 C ATOM 1121 CG TYR A 77 -10.137 -0.370 -1.162 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -10.194 -0.527 0.218 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -11.035 -1.088 -1.940 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -11.117 -1.372 0.803 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.963 -1.935 -1.364 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.999 -2.073 0.008 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.920 -2.916 0.586 1.00 0.00 O ATOM 0 H TYR A 77 -10.140 2.340 -3.579 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.885 2.194 -0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.056 0.331 -2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.143 0.358 -1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.505 0.021 0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -11.008 -0.983 -3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.148 -1.483 1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.655 -2.485 -1.984 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.724 -2.955 0.027 1.00 0.00 H new ATOM 1137 N LEU A 78 -7.853 3.584 -0.659 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.660 4.422 -0.632 1.00 0.00 C ATOM 1139 C LEU A 78 -5.485 3.677 -0.006 1.00 0.00 C ATOM 1140 O LEU A 78 -5.364 3.602 1.217 1.00 0.00 O ATOM 1141 CB LEU A 78 -6.934 5.710 0.146 1.00 0.00 C ATOM 1142 CG LEU A 78 -7.774 6.764 -0.577 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -6.910 7.570 -1.535 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -8.929 6.109 -1.319 1.00 0.00 C ATOM 0 H LEU A 78 -8.397 3.598 0.204 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.401 4.674 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.437 5.449 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.978 6.158 0.416 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.187 7.445 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.525 8.315 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.118 8.071 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.467 6.903 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.516 6.874 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.537 5.405 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.563 5.578 -0.609 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.619 3.129 -0.853 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.451 2.393 -0.384 1.00 0.00 C ATOM 1158 C VAL A 79 -2.248 3.315 -0.223 1.00 0.00 C ATOM 1159 O VAL A 79 -1.977 4.153 -1.083 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.083 1.250 -1.348 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -1.839 0.521 -0.863 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.250 0.286 -1.502 1.00 0.00 C ATOM 0 H VAL A 79 -4.705 3.181 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.713 1.970 0.586 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.865 1.679 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.595 -0.283 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.005 1.221 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.025 0.103 0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.972 -0.515 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.502 -0.138 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.113 0.820 -1.900 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.530 3.155 0.884 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.356 3.974 1.157 1.00 0.00 C ATOM 1174 C GLN A 80 0.833 3.106 1.557 1.00 0.00 C ATOM 1175 O GLN A 80 0.786 2.395 2.561 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.659 4.985 2.265 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.421 6.208 1.780 1.00 0.00 C ATOM 1178 CD GLN A 80 -1.190 7.424 2.655 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -0.765 7.304 3.805 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -1.469 8.604 2.115 1.00 0.00 N ATOM 0 H GLN A 80 -1.741 2.466 1.606 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.100 4.511 0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.238 4.493 3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.279 5.307 2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.119 6.438 0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.487 5.981 1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.819 8.657 1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.333 9.458 2.657 1.00 0.00 H new ATOM 1189 N VAL A 81 1.898 3.167 0.764 1.00 0.00 N ATOM 1190 CA VAL A 81 3.099 2.387 1.035 1.00 0.00 C ATOM 1191 C VAL A 81 4.229 3.276 1.541 1.00 0.00 C ATOM 1192 O VAL A 81 4.462 4.363 1.012 1.00 0.00 O ATOM 1193 CB VAL A 81 3.576 1.636 -0.222 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.735 0.711 0.116 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.427 0.858 -0.846 1.00 0.00 C ATOM 0 H VAL A 81 1.953 3.749 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 81 2.838 1.662 1.806 1.00 0.00 H new ATOM 0 HB VAL A 81 3.927 2.368 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.058 0.189 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.564 1.297 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.414 -0.016 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.782 0.333 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.044 0.135 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.631 1.547 -1.127 1.00 0.00 H new ATOM 1205 N ARG A 82 4.929 2.807 2.569 1.00 0.00 N ATOM 1206 CA ARG A 82 6.035 3.560 3.148 1.00 0.00 C ATOM 1207 C ARG A 82 7.261 2.670 3.331 1.00 0.00 C ATOM 1208 O ARG A 82 7.153 1.445 3.351 1.00 0.00 O ATOM 1209 CB ARG A 82 5.622 4.161 4.493 1.00 0.00 C ATOM 1210 CG ARG A 82 5.295 3.119 5.551 1.00 0.00 C ATOM 1211 CD ARG A 82 5.098 3.756 6.918 1.00 0.00 C ATOM 1212 NE ARG A 82 5.058 2.760 7.985 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.680 3.031 9.229 1.00 0.00 C ATOM 1214 NH1 ARG A 82 4.311 4.261 9.561 1.00 0.00 N ATOM 1215 NH2 ARG A 82 4.670 2.071 10.145 1.00 0.00 N ATOM 0 H ARG A 82 4.750 1.909 3.018 1.00 0.00 H new ATOM 0 HA ARG A 82 6.292 4.367 2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.427 4.798 4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.752 4.801 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.391 2.580 5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.100 2.386 5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.907 4.460 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.170 4.328 6.921 1.00 0.00 H new ATOM 0 HE ARG A 82 5.336 1.804 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.317 5.002 8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.021 4.466 10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.953 1.124 9.894 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.380 2.280 11.100 1.00 0.00 H new ATOM 1229 N ALA A 83 8.425 3.297 3.465 1.00 0.00 N ATOM 1230 CA ALA A 83 9.671 2.563 3.647 1.00 0.00 C ATOM 1231 C ALA A 83 10.221 2.756 5.057 1.00 0.00 C ATOM 1232 O ALA A 83 10.044 3.814 5.662 1.00 0.00 O ATOM 1233 CB ALA A 83 10.698 3.000 2.614 1.00 0.00 C ATOM 0 H ALA A 83 8.531 4.311 3.451 1.00 0.00 H new ATOM 0 HA ALA A 83 9.462 1.502 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.623 2.443 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.313 2.804 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.895 4.066 2.725 1.00 0.00 H new ATOM 1239 N ARG A 84 10.886 1.729 5.574 1.00 0.00 N ATOM 1240 CA ARG A 84 11.460 1.786 6.913 1.00 0.00 C ATOM 1241 C ARG A 84 12.890 1.253 6.915 1.00 0.00 C ATOM 1242 O ARG A 84 13.145 0.129 6.483 1.00 0.00 O ATOM 1243 CB ARG A 84 10.603 0.981 7.892 1.00 0.00 C ATOM 1244 CG ARG A 84 11.256 0.781 9.250 1.00 0.00 C ATOM 1245 CD ARG A 84 12.095 -0.487 9.283 1.00 0.00 C ATOM 1246 NE ARG A 84 12.421 -0.893 10.647 1.00 0.00 N ATOM 1247 CZ ARG A 84 12.977 -2.060 10.954 1.00 0.00 C ATOM 1248 NH1 ARG A 84 13.269 -2.930 9.997 1.00 0.00 N ATOM 1249 NH2 ARG A 84 13.243 -2.357 12.219 1.00 0.00 N ATOM 0 H ARG A 84 11.041 0.847 5.086 1.00 0.00 H new ATOM 0 HA ARG A 84 11.479 2.829 7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.648 1.489 8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.386 0.006 7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.884 1.641 9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.487 0.730 10.021 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.555 -1.292 8.785 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.016 -0.327 8.723 1.00 0.00 H new ATOM 0 HE ARG A 84 12.210 -0.245 11.406 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.067 -2.704 9.023 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.696 -3.825 10.235 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.021 -1.689 12.957 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.670 -3.253 12.454 1.00 0.00 H new ATOM 1263 N SER A 85 13.818 2.068 7.405 1.00 0.00 N ATOM 1264 CA SER A 85 15.223 1.681 7.459 1.00 0.00 C ATOM 1265 C SER A 85 15.671 1.464 8.902 1.00 0.00 C ATOM 1266 O SER A 85 14.877 1.585 9.834 1.00 0.00 O ATOM 1267 CB SER A 85 16.095 2.750 6.798 1.00 0.00 C ATOM 1268 OG SER A 85 17.396 2.255 6.533 1.00 0.00 O ATOM 0 H SER A 85 13.623 3.000 7.770 1.00 0.00 H new ATOM 0 HA SER A 85 15.337 0.743 6.916 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.631 3.078 5.868 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.160 3.623 7.447 1.00 0.00 H new ATOM 0 HG SER A 85 17.396 1.778 5.677 1.00 0.00 H new ATOM 1274 N GLU A 86 16.949 1.142 9.076 1.00 0.00 N ATOM 1275 CA GLU A 86 17.503 0.906 10.404 1.00 0.00 C ATOM 1276 C GLU A 86 16.982 1.937 11.401 1.00 0.00 C ATOM 1277 O GLU A 86 16.453 1.585 12.455 1.00 0.00 O ATOM 1278 CB GLU A 86 19.032 0.952 10.359 1.00 0.00 C ATOM 1279 CG GLU A 86 19.659 -0.284 9.735 1.00 0.00 C ATOM 1280 CD GLU A 86 19.874 -1.399 10.740 1.00 0.00 C ATOM 1281 OE1 GLU A 86 20.785 -1.270 11.584 1.00 0.00 O ATOM 1282 OE2 GLU A 86 19.131 -2.401 10.681 1.00 0.00 O ATOM 0 H GLU A 86 17.620 1.039 8.314 1.00 0.00 H new ATOM 0 HA GLU A 86 17.186 -0.084 10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.344 1.831 9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.414 1.070 11.373 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.019 -0.644 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.615 -0.015 9.286 1.00 0.00 H new ATOM 1289 N ALA A 87 17.136 3.212 11.060 1.00 0.00 N ATOM 1290 CA ALA A 87 16.680 4.295 11.923 1.00 0.00 C ATOM 1291 C ALA A 87 15.236 4.075 12.363 1.00 0.00 C ATOM 1292 O ALA A 87 14.952 3.951 13.553 1.00 0.00 O ATOM 1293 CB ALA A 87 16.820 5.632 11.211 1.00 0.00 C ATOM 0 H ALA A 87 17.573 3.521 10.192 1.00 0.00 H new ATOM 0 HA ALA A 87 17.306 4.304 12.815 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.476 6.431 11.867 1.00 0.00 H new ATOM 0 HB2 ALA A 87 17.866 5.799 10.953 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.219 5.625 10.302 1.00 0.00 H new ATOM 1299 N GLY A 88 14.327 4.030 11.394 1.00 0.00 N ATOM 1300 CA GLY A 88 12.924 3.827 11.702 1.00 0.00 C ATOM 1301 C GLY A 88 12.034 3.985 10.484 1.00 0.00 C ATOM 1302 O GLY A 88 12.524 4.148 9.366 1.00 0.00 O ATOM 0 H GLY A 88 14.537 4.131 10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 88 12.788 2.830 12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.617 4.539 12.468 1.00 0.00 H new ATOM 1306 N TYR A 89 10.725 3.935 10.700 1.00 0.00 N ATOM 1307 CA TYR A 89 9.765 4.070 9.611 1.00 0.00 C ATOM 1308 C TYR A 89 9.714 5.508 9.104 1.00 0.00 C ATOM 1309 O TYR A 89 9.903 6.454 9.867 1.00 0.00 O ATOM 1310 CB TYR A 89 8.374 3.631 10.072 1.00 0.00 C ATOM 1311 CG TYR A 89 8.257 2.142 10.309 1.00 0.00 C ATOM 1312 CD1 TYR A 89 8.779 1.558 11.457 1.00 0.00 C ATOM 1313 CD2 TYR A 89 7.624 1.319 9.386 1.00 0.00 C ATOM 1314 CE1 TYR A 89 8.675 0.199 11.678 1.00 0.00 C ATOM 1315 CE2 TYR A 89 7.514 -0.041 9.599 1.00 0.00 C ATOM 1316 CZ TYR A 89 8.041 -0.597 10.746 1.00 0.00 C ATOM 1317 OH TYR A 89 7.935 -1.952 10.961 1.00 0.00 O ATOM 0 H TYR A 89 10.304 3.802 11.619 1.00 0.00 H new ATOM 0 HA TYR A 89 10.090 3.427 8.793 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.122 4.158 10.992 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.641 3.930 9.323 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.275 2.178 12.189 1.00 0.00 H new ATOM 0 HD2 TYR A 89 7.211 1.750 8.486 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.087 -0.238 12.575 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.018 -0.666 8.871 1.00 0.00 H new ATOM 0 HH TYR A 89 7.460 -2.366 10.210 1.00 0.00 H new ATOM 1327 N GLY A 90 9.457 5.663 7.809 1.00 0.00 N ATOM 1328 CA GLY A 90 9.386 6.988 7.221 1.00 0.00 C ATOM 1329 C GLY A 90 7.964 7.404 6.901 1.00 0.00 C ATOM 1330 O GLY A 90 7.020 6.627 7.043 1.00 0.00 O ATOM 0 H GLY A 90 9.297 4.895 7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.827 7.711 7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.982 7.010 6.309 1.00 0.00 H new ATOM 1334 N PRO A 91 7.796 8.660 6.459 1.00 0.00 N ATOM 1335 CA PRO A 91 6.481 9.207 6.110 1.00 0.00 C ATOM 1336 C PRO A 91 5.910 8.580 4.843 1.00 0.00 C ATOM 1337 O PRO A 91 6.654 8.146 3.963 1.00 0.00 O ATOM 1338 CB PRO A 91 6.763 10.695 5.891 1.00 0.00 C ATOM 1339 CG PRO A 91 8.203 10.756 5.514 1.00 0.00 C ATOM 1340 CD PRO A 91 8.876 9.641 6.266 1.00 0.00 C ATOM 0 HA PRO A 91 5.739 9.009 6.883 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.130 11.106 5.105 1.00 0.00 H new ATOM 0 HB3 PRO A 91 6.565 11.273 6.794 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.330 10.634 4.438 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.635 11.721 5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.706 9.219 5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.281 9.985 7.218 1.00 0.00 H new ATOM 1348 N PHE A 92 4.585 8.536 4.755 1.00 0.00 N ATOM 1349 CA PHE A 92 3.914 7.962 3.595 1.00 0.00 C ATOM 1350 C PHE A 92 4.076 8.861 2.373 1.00 0.00 C ATOM 1351 O PHE A 92 4.253 10.072 2.499 1.00 0.00 O ATOM 1352 CB PHE A 92 2.428 7.748 3.892 1.00 0.00 C ATOM 1353 CG PHE A 92 2.152 6.526 4.720 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.441 5.262 4.231 1.00 0.00 C ATOM 1355 CD2 PHE A 92 1.604 6.641 5.987 1.00 0.00 C ATOM 1356 CE1 PHE A 92 2.188 4.135 4.991 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.350 5.518 6.752 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.641 4.263 6.252 1.00 0.00 C ATOM 0 H PHE A 92 3.954 8.891 5.474 1.00 0.00 H new ATOM 0 HA PHE A 92 4.376 6.999 3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.040 8.624 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.885 7.669 2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.869 5.156 3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.373 7.619 6.382 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.418 3.156 4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.925 5.621 7.739 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.441 3.384 6.847 1.00 0.00 H new ATOM 1368 N GLY A 93 4.014 8.258 1.189 1.00 0.00 N ATOM 1369 CA GLY A 93 4.156 9.018 -0.039 1.00 0.00 C ATOM 1370 C GLY A 93 2.820 9.438 -0.619 1.00 0.00 C ATOM 1371 O GLY A 93 1.771 8.976 -0.172 1.00 0.00 O ATOM 0 H GLY A 93 3.868 7.257 1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.760 9.905 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.695 8.419 -0.773 1.00 0.00 H new ATOM 1375 N GLN A 94 2.859 10.316 -1.615 1.00 0.00 N ATOM 1376 CA GLN A 94 1.641 10.799 -2.255 1.00 0.00 C ATOM 1377 C GLN A 94 0.622 9.675 -2.405 1.00 0.00 C ATOM 1378 O GLN A 94 0.863 8.697 -3.112 1.00 0.00 O ATOM 1379 CB GLN A 94 1.963 11.398 -3.626 1.00 0.00 C ATOM 1380 CG GLN A 94 2.325 12.873 -3.575 1.00 0.00 C ATOM 1381 CD GLN A 94 3.117 13.321 -4.788 1.00 0.00 C ATOM 1382 OE1 GLN A 94 3.384 12.533 -5.695 1.00 0.00 O ATOM 1383 NE2 GLN A 94 3.498 14.593 -4.810 1.00 0.00 N ATOM 0 H GLN A 94 3.720 10.708 -1.997 1.00 0.00 H new ATOM 0 HA GLN A 94 1.210 11.573 -1.620 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.790 10.844 -4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.103 11.266 -4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.413 13.465 -3.502 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.905 13.070 -2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.255 15.212 -4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.034 14.951 -5.601 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.517 9.821 -1.734 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.571 8.816 -1.792 1.00 0.00 C ATOM 1394 C GLU A 95 -1.786 8.335 -3.225 1.00 0.00 C ATOM 1395 O GLU A 95 -1.552 9.074 -4.181 1.00 0.00 O ATOM 1396 CB GLU A 95 -2.878 9.382 -1.232 1.00 0.00 C ATOM 1397 CG GLU A 95 -3.530 10.415 -2.135 1.00 0.00 C ATOM 1398 CD GLU A 95 -4.750 11.056 -1.502 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -5.718 10.324 -1.208 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -4.737 12.288 -1.301 1.00 0.00 O ATOM 0 H GLU A 95 -0.732 10.625 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.261 7.966 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.578 8.563 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.681 9.834 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.803 11.189 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.819 9.941 -3.073 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.233 7.090 -3.364 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.479 6.510 -4.679 1.00 0.00 C ATOM 1409 C HIS A 96 -3.920 6.021 -4.796 1.00 0.00 C ATOM 1410 O HIS A 96 -4.622 5.882 -3.794 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.514 5.353 -4.938 1.00 0.00 C ATOM 1412 CG HIS A 96 -1.217 5.134 -6.390 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -0.511 6.037 -7.158 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -1.532 4.107 -7.213 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -0.408 5.575 -8.391 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -1.018 4.405 -8.451 1.00 0.00 N ATOM 0 H HIS A 96 -2.432 6.465 -2.583 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.314 7.285 -5.427 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.580 5.544 -4.409 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.935 4.439 -4.520 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.085 3.218 -6.946 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.091 6.070 -9.211 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.095 3.818 -9.282 1.00 0.00 H new ATOM 1425 N HIS A 97 -4.355 5.763 -6.025 1.00 0.00 N ATOM 1426 CA HIS A 97 -5.712 5.291 -6.273 1.00 0.00 C ATOM 1427 C HIS A 97 -5.697 3.970 -7.037 1.00 0.00 C ATOM 1428 O HIS A 97 -5.302 3.920 -8.202 1.00 0.00 O ATOM 1429 CB HIS A 97 -6.504 6.337 -7.056 1.00 0.00 C ATOM 1430 CG HIS A 97 -6.475 7.700 -6.435 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -5.940 8.803 -7.065 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -6.922 8.134 -5.233 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -6.056 9.857 -6.276 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -6.649 9.478 -5.159 1.00 0.00 N ATOM 0 H HIS A 97 -3.787 5.873 -6.865 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.195 5.128 -5.309 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.105 6.400 -8.068 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.540 6.008 -7.141 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.403 7.535 -4.474 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.722 10.858 -6.506 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.869 10.085 -4.369 1.00 0.00 H new ATOM 1443 N SER A 98 -6.128 2.902 -6.373 1.00 0.00 N ATOM 1444 CA SER A 98 -6.159 1.581 -6.988 1.00 0.00 C ATOM 1445 C SER A 98 -7.443 1.384 -7.788 1.00 0.00 C ATOM 1446 O SER A 98 -8.535 1.324 -7.224 1.00 0.00 O ATOM 1447 CB SER A 98 -6.041 0.494 -5.917 1.00 0.00 C ATOM 1448 OG SER A 98 -4.699 0.346 -5.487 1.00 0.00 O ATOM 0 H SER A 98 -6.460 2.926 -5.409 1.00 0.00 H new ATOM 0 HA SER A 98 -5.311 1.505 -7.669 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.673 0.747 -5.066 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.406 -0.453 -6.314 1.00 0.00 H new ATOM 0 HG SER A 98 -4.650 -0.353 -4.802 1.00 0.00 H new