USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 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= -0.21 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 16:sc= 0.111 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -1.53 USER MOD Single : A 25 SER OG : rot 180:sc= -0.794 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 30:sc= -0.503 USER MOD Single : A 44 LYS NZ :NH3+ -137:sc= 0.354 (180deg=-1.69!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.456 X(o=-0.46,f=-0.2) 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 140:sc= -0.566 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.66 K(o=-1.7,f=-5!) 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 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.5!) USER MOD Single : A 85 SER OG : rot 90:sc= 0.47 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0223 K(o=-0.022,f=-1.4!) USER MOD Single : A 96 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-2.8!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0263 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 14.200 6.104 5.773 1.00 0.00 N ATOM 67 CA PRO A 8 14.268 6.205 4.312 1.00 0.00 C ATOM 68 C PRO A 8 13.290 7.234 3.756 1.00 0.00 C ATOM 69 O PRO A 8 12.377 7.694 4.443 1.00 0.00 O ATOM 70 CB PRO A 8 13.891 4.799 3.841 1.00 0.00 C ATOM 71 CG PRO A 8 13.064 4.238 4.946 1.00 0.00 C ATOM 72 CD PRO A 8 13.615 4.827 6.215 1.00 0.00 C ATOM 0 HA PRO A 8 15.250 6.534 3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.332 4.831 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.777 4.191 3.662 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.013 4.499 4.819 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.122 3.150 4.963 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.834 4.979 6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.364 4.177 6.667 1.00 0.00 H new ATOM 80 N PRO A 9 13.481 7.604 2.481 1.00 0.00 N ATOM 81 CA PRO A 9 12.623 8.582 1.804 1.00 0.00 C ATOM 82 C PRO A 9 11.223 8.040 1.539 1.00 0.00 C ATOM 83 O PRO A 9 11.052 6.863 1.224 1.00 0.00 O ATOM 84 CB PRO A 9 13.355 8.841 0.485 1.00 0.00 C ATOM 85 CG PRO A 9 14.151 7.606 0.244 1.00 0.00 C ATOM 86 CD PRO A 9 14.548 7.097 1.602 1.00 0.00 C ATOM 0 HA PRO A 9 12.471 9.478 2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.653 9.024 -0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.998 9.719 0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.564 6.862 -0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.030 7.821 -0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.603 6.009 1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.527 7.471 1.901 1.00 0.00 H new ATOM 94 N ALA A 10 10.224 8.907 1.669 1.00 0.00 N ATOM 95 CA ALA A 10 8.838 8.515 1.441 1.00 0.00 C ATOM 96 C ALA A 10 8.664 7.892 0.060 1.00 0.00 C ATOM 97 O ALA A 10 8.915 8.535 -0.959 1.00 0.00 O ATOM 98 CB ALA A 10 7.917 9.715 1.601 1.00 0.00 C ATOM 0 H ALA A 10 10.348 9.885 1.931 1.00 0.00 H new ATOM 0 HA ALA A 10 8.571 7.765 2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.886 9.408 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.012 10.115 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.192 10.484 0.879 1.00 0.00 H new ATOM 104 N VAL A 11 8.233 6.635 0.033 1.00 0.00 N ATOM 105 CA VAL A 11 8.025 5.925 -1.223 1.00 0.00 C ATOM 106 C VAL A 11 7.513 6.866 -2.308 1.00 0.00 C ATOM 107 O VAL A 11 6.799 7.827 -2.024 1.00 0.00 O ATOM 108 CB VAL A 11 7.026 4.764 -1.053 1.00 0.00 C ATOM 109 CG1 VAL A 11 6.743 4.103 -2.393 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.554 3.750 -0.049 1.00 0.00 C ATOM 0 H VAL A 11 8.021 6.087 0.867 1.00 0.00 H new ATOM 0 HA VAL A 11 8.992 5.522 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 11 6.089 5.167 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.036 3.286 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.319 4.837 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.672 3.712 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.836 2.937 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.505 3.350 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.700 4.235 0.916 1.00 0.00 H new ATOM 120 N SER A 12 7.883 6.581 -3.552 1.00 0.00 N ATOM 121 CA SER A 12 7.465 7.404 -4.681 1.00 0.00 C ATOM 122 C SER A 12 7.244 6.549 -5.925 1.00 0.00 C ATOM 123 O SER A 12 7.452 5.336 -5.902 1.00 0.00 O ATOM 124 CB SER A 12 8.512 8.482 -4.969 1.00 0.00 C ATOM 125 OG SER A 12 9.800 7.913 -5.125 1.00 0.00 O ATOM 0 H SER A 12 8.471 5.787 -3.804 1.00 0.00 H new ATOM 0 HA SER A 12 6.522 7.884 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.239 9.026 -5.873 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.527 9.206 -4.154 1.00 0.00 H new ATOM 0 HG SER A 12 10.451 8.622 -5.310 1.00 0.00 H new ATOM 131 N ASP A 13 6.820 7.190 -7.008 1.00 0.00 N ATOM 132 CA ASP A 13 6.571 6.489 -8.263 1.00 0.00 C ATOM 133 C ASP A 13 5.785 5.204 -8.021 1.00 0.00 C ATOM 134 O ASP A 13 6.191 4.126 -8.456 1.00 0.00 O ATOM 135 CB ASP A 13 7.891 6.170 -8.964 1.00 0.00 C ATOM 136 CG ASP A 13 8.402 7.332 -9.794 1.00 0.00 C ATOM 137 OD1 ASP A 13 7.568 8.075 -10.352 1.00 0.00 O ATOM 138 OD2 ASP A 13 9.636 7.498 -9.884 1.00 0.00 O ATOM 0 H ASP A 13 6.641 8.194 -7.043 1.00 0.00 H new ATOM 0 HA ASP A 13 5.977 7.141 -8.903 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.640 5.903 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.757 5.300 -9.606 1.00 0.00 H new ATOM 143 N ILE A 14 4.660 5.327 -7.324 1.00 0.00 N ATOM 144 CA ILE A 14 3.819 4.175 -7.024 1.00 0.00 C ATOM 145 C ILE A 14 2.827 3.910 -8.152 1.00 0.00 C ATOM 146 O ILE A 14 1.878 4.669 -8.349 1.00 0.00 O ATOM 147 CB ILE A 14 3.042 4.372 -5.709 1.00 0.00 C ATOM 148 CG1 ILE A 14 4.011 4.483 -4.530 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.066 3.226 -5.493 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.394 5.104 -3.297 1.00 0.00 C ATOM 0 H ILE A 14 4.310 6.212 -6.957 1.00 0.00 H new ATOM 0 HA ILE A 14 4.484 3.318 -6.919 1.00 0.00 H new ATOM 0 HB ILE A 14 2.473 5.299 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.381 3.489 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.873 5.077 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.525 3.380 -4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.358 3.190 -6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.615 2.285 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.138 5.151 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.049 6.111 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.549 4.498 -2.968 1.00 0.00 H new ATOM 162 N ARG A 15 3.054 2.828 -8.890 1.00 0.00 N ATOM 163 CA ARG A 15 2.180 2.463 -9.998 1.00 0.00 C ATOM 164 C ARG A 15 1.348 1.231 -9.651 1.00 0.00 C ATOM 165 O ARG A 15 1.812 0.334 -8.947 1.00 0.00 O ATOM 166 CB ARG A 15 3.005 2.196 -11.259 1.00 0.00 C ATOM 167 CG ARG A 15 2.184 1.664 -12.422 1.00 0.00 C ATOM 168 CD ARG A 15 1.485 2.788 -13.170 1.00 0.00 C ATOM 169 NE ARG A 15 0.703 2.291 -14.300 1.00 0.00 N ATOM 170 CZ ARG A 15 0.361 3.039 -15.342 1.00 0.00 C ATOM 171 NH1 ARG A 15 0.730 4.311 -15.400 1.00 0.00 N ATOM 172 NH2 ARG A 15 -0.352 2.515 -16.331 1.00 0.00 N ATOM 0 H ARG A 15 3.835 2.189 -8.741 1.00 0.00 H new ATOM 0 HA ARG A 15 1.503 3.297 -10.184 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.496 3.120 -11.564 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.792 1.480 -11.023 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.833 1.118 -13.107 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.443 0.956 -12.052 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.830 3.327 -12.485 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.227 3.501 -13.529 1.00 0.00 H new ATOM 0 HE ARG A 15 0.404 1.316 -14.287 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.279 4.718 -14.642 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.465 4.883 -16.202 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.638 1.537 -16.291 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.614 3.091 -17.131 1.00 0.00 H new ATOM 186 N VAL A 16 0.117 1.196 -10.150 1.00 0.00 N ATOM 187 CA VAL A 16 -0.780 0.075 -9.894 1.00 0.00 C ATOM 188 C VAL A 16 -0.459 -1.105 -10.804 1.00 0.00 C ATOM 189 O VAL A 16 -0.949 -1.186 -11.931 1.00 0.00 O ATOM 190 CB VAL A 16 -2.253 0.478 -10.094 1.00 0.00 C ATOM 191 CG1 VAL A 16 -3.163 -0.732 -9.947 1.00 0.00 C ATOM 192 CG2 VAL A 16 -2.645 1.571 -9.111 1.00 0.00 C ATOM 0 H VAL A 16 -0.282 1.931 -10.734 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.630 -0.220 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.369 0.870 -11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.200 -0.427 -10.092 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.897 -1.480 -10.694 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.045 -1.157 -8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.689 1.843 -9.267 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.513 1.208 -8.092 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.014 2.446 -9.269 1.00 0.00 H new ATOM 202 N THR A 17 0.368 -2.020 -10.308 1.00 0.00 N ATOM 203 CA THR A 17 0.756 -3.196 -11.076 1.00 0.00 C ATOM 204 C THR A 17 -0.463 -4.027 -11.461 1.00 0.00 C ATOM 205 O THR A 17 -1.566 -3.796 -10.966 1.00 0.00 O ATOM 206 CB THR A 17 1.739 -4.082 -10.289 1.00 0.00 C ATOM 207 OG1 THR A 17 2.226 -5.137 -11.126 1.00 0.00 O ATOM 208 CG2 THR A 17 1.069 -4.673 -9.058 1.00 0.00 C ATOM 0 H THR A 17 0.782 -1.969 -9.377 1.00 0.00 H new ATOM 0 HA THR A 17 1.247 -2.836 -11.980 1.00 0.00 H new ATOM 0 HB THR A 17 2.574 -3.461 -9.965 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.852 -5.695 -10.618 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.783 -5.295 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.726 -3.868 -8.409 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.217 -5.280 -9.364 1.00 0.00 H new ATOM 216 N ARG A 18 -0.256 -4.996 -12.347 1.00 0.00 N ATOM 217 CA ARG A 18 -1.339 -5.862 -12.799 1.00 0.00 C ATOM 218 C ARG A 18 -2.349 -6.099 -11.680 1.00 0.00 C ATOM 219 O ARG A 18 -2.163 -6.978 -10.838 1.00 0.00 O ATOM 220 CB ARG A 18 -0.780 -7.200 -13.288 1.00 0.00 C ATOM 221 CG ARG A 18 -1.603 -7.834 -14.397 1.00 0.00 C ATOM 222 CD ARG A 18 -1.143 -9.254 -14.690 1.00 0.00 C ATOM 223 NE ARG A 18 -1.360 -10.145 -13.553 1.00 0.00 N ATOM 224 CZ ARG A 18 -1.214 -11.464 -13.614 1.00 0.00 C ATOM 225 NH1 ARG A 18 -0.851 -12.042 -14.751 1.00 0.00 N ATOM 226 NH2 ARG A 18 -1.429 -12.207 -12.536 1.00 0.00 N ATOM 0 H ARG A 18 0.651 -5.201 -12.766 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.848 -5.365 -13.625 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.239 -7.050 -13.644 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.726 -7.891 -12.447 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.655 -7.843 -14.111 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.523 -7.231 -15.301 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.679 -9.637 -15.558 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.084 -9.246 -14.948 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.639 -9.732 -12.663 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.683 -11.474 -15.581 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.740 -13.055 -14.795 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.707 -11.766 -11.659 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.317 -13.220 -12.584 1.00 0.00 H new ATOM 240 N SER A 19 -3.417 -5.308 -11.677 1.00 0.00 N ATOM 241 CA SER A 19 -4.455 -5.428 -10.659 1.00 0.00 C ATOM 242 C SER A 19 -5.113 -6.803 -10.715 1.00 0.00 C ATOM 243 O SER A 19 -4.740 -7.650 -11.526 1.00 0.00 O ATOM 244 CB SER A 19 -5.510 -4.336 -10.845 1.00 0.00 C ATOM 245 OG SER A 19 -5.151 -3.156 -10.148 1.00 0.00 O ATOM 0 H SER A 19 -3.587 -4.577 -12.368 1.00 0.00 H new ATOM 0 HA SER A 19 -3.988 -5.308 -9.682 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.625 -4.114 -11.906 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.475 -4.694 -10.487 1.00 0.00 H new ATOM 0 HG SER A 19 -5.840 -2.473 -10.284 1.00 0.00 H new ATOM 251 N SER A 20 -6.096 -7.017 -9.846 1.00 0.00 N ATOM 252 CA SER A 20 -6.806 -8.290 -9.793 1.00 0.00 C ATOM 253 C SER A 20 -8.271 -8.080 -9.422 1.00 0.00 C ATOM 254 O SER A 20 -8.648 -7.074 -8.821 1.00 0.00 O ATOM 255 CB SER A 20 -6.141 -9.226 -8.781 1.00 0.00 C ATOM 256 OG SER A 20 -5.002 -9.856 -9.342 1.00 0.00 O ATOM 0 H SER A 20 -6.419 -6.326 -9.169 1.00 0.00 H new ATOM 0 HA SER A 20 -6.762 -8.745 -10.783 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.849 -8.661 -7.896 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.856 -9.982 -8.456 1.00 0.00 H new ATOM 0 HG SER A 20 -4.733 -9.381 -10.156 1.00 0.00 H new ATOM 262 N PRO A 21 -9.118 -9.053 -9.789 1.00 0.00 N ATOM 263 CA PRO A 21 -10.555 -8.999 -9.506 1.00 0.00 C ATOM 264 C PRO A 21 -10.860 -9.160 -8.021 1.00 0.00 C ATOM 265 O PRO A 21 -11.591 -8.359 -7.437 1.00 0.00 O ATOM 266 CB PRO A 21 -11.117 -10.182 -10.298 1.00 0.00 C ATOM 267 CG PRO A 21 -9.975 -11.131 -10.423 1.00 0.00 C ATOM 268 CD PRO A 21 -8.738 -10.280 -10.508 1.00 0.00 C ATOM 0 HA PRO A 21 -10.989 -8.038 -9.783 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.959 -10.641 -9.780 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.479 -9.867 -11.277 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.929 -11.802 -9.565 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.081 -11.755 -11.310 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.881 -10.769 -10.044 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.464 -10.071 -11.542 1.00 0.00 H new ATOM 276 N SER A 22 -10.295 -10.199 -7.414 1.00 0.00 N ATOM 277 CA SER A 22 -10.509 -10.466 -5.997 1.00 0.00 C ATOM 278 C SER A 22 -9.274 -10.094 -5.181 1.00 0.00 C ATOM 279 O SER A 22 -9.028 -10.658 -4.116 1.00 0.00 O ATOM 280 CB SER A 22 -10.852 -11.941 -5.780 1.00 0.00 C ATOM 281 OG SER A 22 -12.210 -12.200 -6.089 1.00 0.00 O ATOM 0 H SER A 22 -9.685 -10.870 -7.882 1.00 0.00 H new ATOM 0 HA SER A 22 -11.344 -9.853 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.209 -12.562 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.653 -12.215 -4.744 1.00 0.00 H new ATOM 0 HG SER A 22 -12.403 -13.150 -5.944 1.00 0.00 H new ATOM 287 N SER A 23 -8.502 -9.139 -5.690 1.00 0.00 N ATOM 288 CA SER A 23 -7.291 -8.693 -5.013 1.00 0.00 C ATOM 289 C SER A 23 -6.710 -7.458 -5.694 1.00 0.00 C ATOM 290 O SER A 23 -7.116 -7.096 -6.800 1.00 0.00 O ATOM 291 CB SER A 23 -6.250 -9.815 -4.992 1.00 0.00 C ATOM 292 OG SER A 23 -6.107 -10.401 -6.274 1.00 0.00 O ATOM 0 H SER A 23 -8.694 -8.659 -6.569 1.00 0.00 H new ATOM 0 HA SER A 23 -7.554 -8.431 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.290 -9.419 -4.661 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.546 -10.577 -4.271 1.00 0.00 H new ATOM 0 HG SER A 23 -5.435 -11.114 -6.235 1.00 0.00 H new ATOM 298 N LEU A 24 -5.758 -6.815 -5.028 1.00 0.00 N ATOM 299 CA LEU A 24 -5.120 -5.619 -5.568 1.00 0.00 C ATOM 300 C LEU A 24 -3.601 -5.731 -5.490 1.00 0.00 C ATOM 301 O LEU A 24 -3.017 -5.660 -4.409 1.00 0.00 O ATOM 302 CB LEU A 24 -5.591 -4.378 -4.807 1.00 0.00 C ATOM 303 CG LEU A 24 -7.019 -3.915 -5.098 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.533 -3.032 -3.972 1.00 0.00 C ATOM 305 CD2 LEU A 24 -7.079 -3.176 -6.427 1.00 0.00 C ATOM 0 H LEU A 24 -5.410 -7.101 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.406 -5.525 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.505 -4.577 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.911 -3.557 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.660 -4.794 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.551 -2.712 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.527 -3.593 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.891 -2.157 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.103 -2.854 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.425 -2.305 -6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.752 -3.840 -7.227 1.00 0.00 H new ATOM 317 N SER A 25 -2.965 -5.904 -6.645 1.00 0.00 N ATOM 318 CA SER A 25 -1.514 -6.027 -6.708 1.00 0.00 C ATOM 319 C SER A 25 -0.857 -4.655 -6.831 1.00 0.00 C ATOM 320 O SER A 25 -1.178 -3.879 -7.732 1.00 0.00 O ATOM 321 CB SER A 25 -1.106 -6.908 -7.891 1.00 0.00 C ATOM 322 OG SER A 25 -1.014 -8.268 -7.506 1.00 0.00 O ATOM 0 H SER A 25 -3.433 -5.962 -7.550 1.00 0.00 H new ATOM 0 HA SER A 25 -1.173 -6.492 -5.783 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.834 -6.803 -8.695 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.146 -6.572 -8.284 1.00 0.00 H new ATOM 0 HG SER A 25 -0.753 -8.810 -8.280 1.00 0.00 H new ATOM 328 N LEU A 26 0.063 -4.364 -5.919 1.00 0.00 N ATOM 329 CA LEU A 26 0.766 -3.085 -5.923 1.00 0.00 C ATOM 330 C LEU A 26 2.273 -3.293 -6.035 1.00 0.00 C ATOM 331 O LEU A 26 2.795 -4.342 -5.657 1.00 0.00 O ATOM 332 CB LEU A 26 0.441 -2.298 -4.653 1.00 0.00 C ATOM 333 CG LEU A 26 -1.043 -2.133 -4.327 1.00 0.00 C ATOM 334 CD1 LEU A 26 -1.250 -2.011 -2.825 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.615 -0.919 -5.045 1.00 0.00 C ATOM 0 H LEU A 26 0.340 -4.995 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 26 0.431 -2.517 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.925 -2.791 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.886 -1.307 -4.740 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.572 -3.020 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.313 -1.894 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.878 -2.909 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.708 -1.142 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.673 -0.817 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.081 -0.023 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.501 -1.046 -6.122 1.00 0.00 H new ATOM 347 N ALA A 27 2.968 -2.286 -6.554 1.00 0.00 N ATOM 348 CA ALA A 27 4.415 -2.357 -6.711 1.00 0.00 C ATOM 349 C ALA A 27 5.001 -0.984 -7.026 1.00 0.00 C ATOM 350 O ALA A 27 4.601 -0.336 -7.992 1.00 0.00 O ATOM 351 CB ALA A 27 4.779 -3.351 -7.803 1.00 0.00 C ATOM 0 H ALA A 27 2.552 -1.411 -6.873 1.00 0.00 H new ATOM 0 HA ALA A 27 4.842 -2.698 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.863 -3.394 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.401 -4.338 -7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.334 -3.034 -8.746 1.00 0.00 H new ATOM 357 N TRP A 28 5.949 -0.549 -6.204 1.00 0.00 N ATOM 358 CA TRP A 28 6.589 0.748 -6.395 1.00 0.00 C ATOM 359 C TRP A 28 8.064 0.581 -6.743 1.00 0.00 C ATOM 360 O TRP A 28 8.616 -0.514 -6.636 1.00 0.00 O ATOM 361 CB TRP A 28 6.443 1.602 -5.135 1.00 0.00 C ATOM 362 CG TRP A 28 6.477 0.803 -3.868 1.00 0.00 C ATOM 363 CD1 TRP A 28 7.410 0.881 -2.874 1.00 0.00 C ATOM 364 CD2 TRP A 28 5.536 -0.197 -3.461 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.106 -0.011 -1.873 1.00 0.00 N ATOM 366 CE2 TRP A 28 5.961 -0.683 -2.209 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.376 -0.728 -4.031 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.266 -1.674 -1.520 1.00 0.00 C ATOM 369 CZ3 TRP A 28 3.687 -1.711 -3.346 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.133 -2.176 -2.102 1.00 0.00 C ATOM 0 H TRP A 28 6.291 -1.074 -5.400 1.00 0.00 H new ATOM 0 HA TRP A 28 6.094 1.251 -7.226 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.244 2.341 -5.111 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.503 2.152 -5.184 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.261 1.546 -2.874 1.00 0.00 H new ATOM 0 HE1 TRP A 28 7.646 -0.150 -1.019 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.024 -0.377 -4.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.609 -2.034 -0.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.789 -2.128 -3.777 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.572 -2.945 -1.592 1.00 0.00 H new ATOM 381 N ALA A 29 8.697 1.672 -7.160 1.00 0.00 N ATOM 382 CA ALA A 29 10.108 1.646 -7.522 1.00 0.00 C ATOM 383 C ALA A 29 10.994 1.781 -6.288 1.00 0.00 C ATOM 384 O ALA A 29 10.995 2.817 -5.623 1.00 0.00 O ATOM 385 CB ALA A 29 10.418 2.752 -8.520 1.00 0.00 C ATOM 0 H ALA A 29 8.254 2.586 -7.256 1.00 0.00 H new ATOM 0 HA ALA A 29 10.320 0.683 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.476 2.720 -8.781 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.818 2.610 -9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.183 3.719 -8.076 1.00 0.00 H new ATOM 391 N VAL A 30 11.746 0.727 -5.986 1.00 0.00 N ATOM 392 CA VAL A 30 12.636 0.729 -4.831 1.00 0.00 C ATOM 393 C VAL A 30 13.334 2.075 -4.677 1.00 0.00 C ATOM 394 O VAL A 30 14.029 2.548 -5.576 1.00 0.00 O ATOM 395 CB VAL A 30 13.700 -0.379 -4.942 1.00 0.00 C ATOM 396 CG1 VAL A 30 14.669 -0.077 -6.075 1.00 0.00 C ATOM 397 CG2 VAL A 30 14.441 -0.539 -3.623 1.00 0.00 C ATOM 0 H VAL A 30 11.757 -0.139 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 30 12.017 0.542 -3.954 1.00 0.00 H new ATOM 0 HB VAL A 30 13.198 -1.320 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 30 15.414 -0.871 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.122 -0.017 -7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.167 0.873 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.189 -1.326 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 30 14.932 0.399 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.733 -0.805 -2.838 1.00 0.00 H new ATOM 407 N PRO A 31 13.146 2.709 -3.510 1.00 0.00 N ATOM 408 CA PRO A 31 13.750 4.010 -3.210 1.00 0.00 C ATOM 409 C PRO A 31 15.262 3.920 -3.029 1.00 0.00 C ATOM 410 O PRO A 31 15.855 2.856 -3.207 1.00 0.00 O ATOM 411 CB PRO A 31 13.079 4.418 -1.896 1.00 0.00 C ATOM 412 CG PRO A 31 12.673 3.133 -1.262 1.00 0.00 C ATOM 413 CD PRO A 31 12.329 2.204 -2.394 1.00 0.00 C ATOM 0 HA PRO A 31 13.602 4.724 -4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.765 4.975 -1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.217 5.061 -2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.481 2.725 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.818 3.277 -0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.573 1.169 -2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.265 2.234 -2.629 1.00 0.00 H new ATOM 421 N ARG A 32 15.879 5.042 -2.674 1.00 0.00 N ATOM 422 CA ARG A 32 17.322 5.088 -2.470 1.00 0.00 C ATOM 423 C ARG A 32 17.676 5.994 -1.295 1.00 0.00 C ATOM 424 O ARG A 32 17.433 7.200 -1.332 1.00 0.00 O ATOM 425 CB ARG A 32 18.022 5.583 -3.738 1.00 0.00 C ATOM 426 CG ARG A 32 17.354 6.793 -4.369 1.00 0.00 C ATOM 427 CD ARG A 32 16.299 6.382 -5.384 1.00 0.00 C ATOM 428 NE ARG A 32 16.886 5.726 -6.549 1.00 0.00 N ATOM 429 CZ ARG A 32 16.225 5.508 -7.681 1.00 0.00 C ATOM 430 NH1 ARG A 32 14.961 5.891 -7.798 1.00 0.00 N ATOM 431 NH2 ARG A 32 16.828 4.906 -8.697 1.00 0.00 N ATOM 0 H ARG A 32 15.403 5.931 -2.522 1.00 0.00 H new ATOM 0 HA ARG A 32 17.664 4.078 -2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 32 19.056 5.833 -3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.051 4.773 -4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.894 7.403 -3.591 1.00 0.00 H new ATOM 0 HG3 ARG A 32 18.107 7.413 -4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.584 5.709 -4.911 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.743 7.263 -5.706 1.00 0.00 H new ATOM 0 HE ARG A 32 17.857 5.418 -6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.494 6.354 -7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.456 5.723 -8.668 1.00 0.00 H new ATOM 0 HH21 ARG A 32 17.800 4.610 -8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.320 4.739 -9.565 1.00 0.00 H new ATOM 445 N ALA A 33 18.251 5.405 -0.252 1.00 0.00 N ATOM 446 CA ALA A 33 18.640 6.158 0.934 1.00 0.00 C ATOM 447 C ALA A 33 20.148 6.378 0.974 1.00 0.00 C ATOM 448 O ALA A 33 20.936 5.520 0.577 1.00 0.00 O ATOM 449 CB ALA A 33 18.175 5.439 2.192 1.00 0.00 C ATOM 0 H ALA A 33 18.458 4.407 -0.204 1.00 0.00 H new ATOM 0 HA ALA A 33 18.158 7.135 0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.472 6.013 3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 33 17.090 5.339 2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 33 18.629 4.449 2.234 1.00 0.00 H new ATOM 455 N PRO A 34 20.562 7.557 1.464 1.00 0.00 N ATOM 456 CA PRO A 34 21.979 7.917 1.567 1.00 0.00 C ATOM 457 C PRO A 34 22.707 7.106 2.634 1.00 0.00 C ATOM 458 O PRO A 34 23.937 7.078 2.674 1.00 0.00 O ATOM 459 CB PRO A 34 21.941 9.398 1.954 1.00 0.00 C ATOM 460 CG PRO A 34 20.626 9.579 2.630 1.00 0.00 C ATOM 461 CD PRO A 34 19.678 8.627 1.955 1.00 0.00 C ATOM 0 HA PRO A 34 22.519 7.718 0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 34 22.766 9.655 2.618 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.027 10.039 1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 34 20.702 9.363 3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.278 10.608 2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 34 18.931 8.244 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.138 9.108 1.140 1.00 0.00 H new ATOM 469 N SER A 35 21.939 6.448 3.497 1.00 0.00 N ATOM 470 CA SER A 35 22.512 5.640 4.567 1.00 0.00 C ATOM 471 C SER A 35 21.751 4.326 4.722 1.00 0.00 C ATOM 472 O SER A 35 20.544 4.319 4.957 1.00 0.00 O ATOM 473 CB SER A 35 22.490 6.413 5.887 1.00 0.00 C ATOM 474 OG SER A 35 23.029 5.636 6.942 1.00 0.00 O ATOM 0 H SER A 35 20.919 6.459 3.476 1.00 0.00 H new ATOM 0 HA SER A 35 23.545 5.414 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 35 23.062 7.335 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.466 6.698 6.128 1.00 0.00 H new ATOM 0 HG SER A 35 23.005 6.153 7.774 1.00 0.00 H new ATOM 480 N GLY A 36 22.468 3.214 4.587 1.00 0.00 N ATOM 481 CA GLY A 36 21.846 1.910 4.714 1.00 0.00 C ATOM 482 C GLY A 36 20.947 1.579 3.539 1.00 0.00 C ATOM 483 O GLY A 36 21.285 1.866 2.391 1.00 0.00 O ATOM 0 H GLY A 36 23.469 3.194 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.621 1.148 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.263 1.877 5.634 1.00 0.00 H new ATOM 487 N ALA A 37 19.801 0.971 3.825 1.00 0.00 N ATOM 488 CA ALA A 37 18.851 0.601 2.783 1.00 0.00 C ATOM 489 C ALA A 37 17.499 0.226 3.380 1.00 0.00 C ATOM 490 O ALA A 37 17.423 -0.275 4.502 1.00 0.00 O ATOM 491 CB ALA A 37 19.401 -0.548 1.952 1.00 0.00 C ATOM 0 H ALA A 37 19.508 0.724 4.770 1.00 0.00 H new ATOM 0 HA ALA A 37 18.705 1.466 2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.681 -0.814 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.339 -0.244 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.577 -1.410 2.595 1.00 0.00 H new ATOM 497 N VAL A 38 16.434 0.471 2.623 1.00 0.00 N ATOM 498 CA VAL A 38 15.085 0.158 3.078 1.00 0.00 C ATOM 499 C VAL A 38 14.944 -1.325 3.402 1.00 0.00 C ATOM 500 O VAL A 38 15.153 -2.182 2.543 1.00 0.00 O ATOM 501 CB VAL A 38 14.033 0.543 2.021 1.00 0.00 C ATOM 502 CG1 VAL A 38 12.645 0.106 2.464 1.00 0.00 C ATOM 503 CG2 VAL A 38 14.070 2.040 1.754 1.00 0.00 C ATOM 0 H VAL A 38 16.480 0.885 1.692 1.00 0.00 H new ATOM 0 HA VAL A 38 14.913 0.742 3.982 1.00 0.00 H new ATOM 0 HB VAL A 38 14.271 0.025 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.915 0.387 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.630 -0.975 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.394 0.593 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.320 2.295 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.858 2.580 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.058 2.320 1.389 1.00 0.00 H new ATOM 513 N LEU A 39 14.589 -1.621 4.647 1.00 0.00 N ATOM 514 CA LEU A 39 14.419 -3.002 5.086 1.00 0.00 C ATOM 515 C LEU A 39 13.057 -3.544 4.666 1.00 0.00 C ATOM 516 O LEU A 39 12.968 -4.556 3.970 1.00 0.00 O ATOM 517 CB LEU A 39 14.572 -3.097 6.606 1.00 0.00 C ATOM 518 CG LEU A 39 15.902 -2.606 7.179 1.00 0.00 C ATOM 519 CD1 LEU A 39 15.841 -2.553 8.697 1.00 0.00 C ATOM 520 CD2 LEU A 39 17.043 -3.501 6.720 1.00 0.00 C ATOM 0 H LEU A 39 14.413 -0.924 5.370 1.00 0.00 H new ATOM 0 HA LEU A 39 15.192 -3.606 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.767 -2.526 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.434 -4.137 6.901 1.00 0.00 H new ATOM 0 HG LEU A 39 16.086 -1.598 6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 39 16.796 -2.201 9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.049 -1.870 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.634 -3.549 9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 39 17.982 -3.137 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 39 16.866 -4.521 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 39 17.100 -3.488 5.632 1.00 0.00 H new ATOM 532 N ASP A 40 11.998 -2.863 5.090 1.00 0.00 N ATOM 533 CA ASP A 40 10.640 -3.274 4.755 1.00 0.00 C ATOM 534 C ASP A 40 9.729 -2.061 4.594 1.00 0.00 C ATOM 535 O ASP A 40 10.077 -0.953 5.004 1.00 0.00 O ATOM 536 CB ASP A 40 10.085 -4.205 5.834 1.00 0.00 C ATOM 537 CG ASP A 40 11.151 -5.105 6.427 1.00 0.00 C ATOM 538 OD1 ASP A 40 11.791 -4.695 7.417 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.345 -6.221 5.900 1.00 0.00 O ATOM 0 H ASP A 40 12.054 -2.024 5.667 1.00 0.00 H new ATOM 0 HA ASP A 40 10.673 -3.810 3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.635 -3.609 6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.292 -4.819 5.407 1.00 0.00 H new ATOM 544 N TYR A 41 8.564 -2.278 3.995 1.00 0.00 N ATOM 545 CA TYR A 41 7.605 -1.201 3.777 1.00 0.00 C ATOM 546 C TYR A 41 6.318 -1.452 4.557 1.00 0.00 C ATOM 547 O TYR A 41 6.073 -2.561 5.031 1.00 0.00 O ATOM 548 CB TYR A 41 7.292 -1.063 2.286 1.00 0.00 C ATOM 549 CG TYR A 41 8.524 -0.976 1.414 1.00 0.00 C ATOM 550 CD1 TYR A 41 9.303 -2.099 1.166 1.00 0.00 C ATOM 551 CD2 TYR A 41 8.909 0.229 0.840 1.00 0.00 C ATOM 552 CE1 TYR A 41 10.430 -2.025 0.370 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.034 0.313 0.042 1.00 0.00 C ATOM 554 CZ TYR A 41 10.791 -0.817 -0.189 1.00 0.00 C ATOM 555 OH TYR A 41 11.913 -0.737 -0.982 1.00 0.00 O ATOM 0 H TYR A 41 8.260 -3.189 3.652 1.00 0.00 H new ATOM 0 HA TYR A 41 8.051 -0.273 4.135 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.692 -1.916 1.969 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.684 -0.171 2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.023 -3.046 1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.319 1.115 1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.025 -2.908 0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.319 1.257 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 41 12.057 -1.595 -1.433 1.00 0.00 H new ATOM 565 N GLU A 42 5.499 -0.413 4.685 1.00 0.00 N ATOM 566 CA GLU A 42 4.237 -0.520 5.408 1.00 0.00 C ATOM 567 C GLU A 42 3.071 -0.056 4.539 1.00 0.00 C ATOM 568 O GLU A 42 2.980 1.118 4.180 1.00 0.00 O ATOM 569 CB GLU A 42 4.289 0.306 6.695 1.00 0.00 C ATOM 570 CG GLU A 42 3.315 -0.167 7.761 1.00 0.00 C ATOM 571 CD GLU A 42 1.868 0.067 7.375 1.00 0.00 C ATOM 572 OE1 GLU A 42 1.336 1.151 7.690 1.00 0.00 O ATOM 573 OE2 GLU A 42 1.267 -0.836 6.755 1.00 0.00 O ATOM 0 H GLU A 42 5.686 0.512 4.298 1.00 0.00 H new ATOM 0 HA GLU A 42 4.082 -1.568 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.301 0.271 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.076 1.348 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.471 -1.230 7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.526 0.352 8.696 1.00 0.00 H new ATOM 580 N VAL A 43 2.183 -0.986 4.205 1.00 0.00 N ATOM 581 CA VAL A 43 1.022 -0.674 3.380 1.00 0.00 C ATOM 582 C VAL A 43 -0.224 -0.474 4.235 1.00 0.00 C ATOM 583 O VAL A 43 -0.747 -1.422 4.821 1.00 0.00 O ATOM 584 CB VAL A 43 0.751 -1.785 2.349 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.430 -1.417 1.464 1.00 0.00 C ATOM 586 CG2 VAL A 43 1.993 -2.049 1.511 1.00 0.00 C ATOM 0 H VAL A 43 2.245 -1.962 4.493 1.00 0.00 H new ATOM 0 HA VAL A 43 1.249 0.253 2.853 1.00 0.00 H new ATOM 0 HB VAL A 43 0.501 -2.700 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.606 -2.214 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.319 -1.283 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.213 -0.489 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.783 -2.837 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.276 -1.138 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.811 -2.361 2.161 1.00 0.00 H new ATOM 596 N LYS A 44 -0.695 0.766 4.303 1.00 0.00 N ATOM 597 CA LYS A 44 -1.882 1.092 5.086 1.00 0.00 C ATOM 598 C LYS A 44 -3.059 1.426 4.176 1.00 0.00 C ATOM 599 O LYS A 44 -3.006 2.382 3.401 1.00 0.00 O ATOM 600 CB LYS A 44 -1.594 2.270 6.019 1.00 0.00 C ATOM 601 CG LYS A 44 -2.646 2.462 7.098 1.00 0.00 C ATOM 602 CD LYS A 44 -2.344 3.675 7.962 1.00 0.00 C ATOM 603 CE LYS A 44 -2.695 4.970 7.245 1.00 0.00 C ATOM 604 NZ LYS A 44 -1.554 5.485 6.439 1.00 0.00 N ATOM 0 H LYS A 44 -0.273 1.563 3.825 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.144 0.219 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.624 2.119 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.522 3.182 5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.626 2.579 6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.693 1.571 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.907 3.609 8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.287 3.680 8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.553 4.803 6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.991 5.722 7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.472 6.513 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.674 5.025 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.717 5.276 5.433 1.00 0.00 H new ATOM 618 N TYR A 45 -4.121 0.634 4.275 1.00 0.00 N ATOM 619 CA TYR A 45 -5.311 0.846 3.459 1.00 0.00 C ATOM 620 C TYR A 45 -6.570 0.831 4.320 1.00 0.00 C ATOM 621 O TYR A 45 -6.659 0.091 5.300 1.00 0.00 O ATOM 622 CB TYR A 45 -5.409 -0.228 2.374 1.00 0.00 C ATOM 623 CG TYR A 45 -5.480 -1.636 2.921 1.00 0.00 C ATOM 624 CD1 TYR A 45 -4.425 -2.175 3.646 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.603 -2.427 2.712 1.00 0.00 C ATOM 626 CE1 TYR A 45 -4.485 -3.462 4.146 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.673 -3.714 3.210 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.611 -4.227 3.926 1.00 0.00 C ATOM 629 OH TYR A 45 -5.676 -5.508 4.424 1.00 0.00 O ATOM 0 H TYR A 45 -4.182 -0.160 4.912 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.227 1.824 2.986 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.293 -0.038 1.766 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.545 -0.146 1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.542 -1.578 3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.435 -2.029 2.151 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.655 -3.866 4.706 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.554 -4.315 3.040 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.536 -5.910 4.182 1.00 0.00 H new ATOM 639 N HIS A 46 -7.544 1.655 3.946 1.00 0.00 N ATOM 640 CA HIS A 46 -8.801 1.738 4.682 1.00 0.00 C ATOM 641 C HIS A 46 -9.945 2.148 3.759 1.00 0.00 C ATOM 642 O HIS A 46 -9.836 3.123 3.016 1.00 0.00 O ATOM 643 CB HIS A 46 -8.677 2.735 5.834 1.00 0.00 C ATOM 644 CG HIS A 46 -8.620 4.164 5.386 1.00 0.00 C ATOM 645 ND1 HIS A 46 -7.443 4.806 5.065 1.00 0.00 N ATOM 646 CD2 HIS A 46 -9.605 5.074 5.204 1.00 0.00 C ATOM 647 CE1 HIS A 46 -7.706 6.050 4.707 1.00 0.00 C ATOM 648 NE2 HIS A 46 -9.011 6.238 4.783 1.00 0.00 N ATOM 0 H HIS A 46 -7.487 2.275 3.138 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.022 0.751 5.088 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.525 2.607 6.507 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.778 2.506 6.407 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -10.662 4.914 5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.978 6.788 4.404 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.498 7.107 4.564 1.00 0.00 H new ATOM 657 N GLU A 47 -11.040 1.396 3.812 1.00 0.00 N ATOM 658 CA GLU A 47 -12.202 1.681 2.979 1.00 0.00 C ATOM 659 C GLU A 47 -12.714 3.098 3.226 1.00 0.00 C ATOM 660 O GLU A 47 -13.276 3.393 4.281 1.00 0.00 O ATOM 661 CB GLU A 47 -13.317 0.669 3.257 1.00 0.00 C ATOM 662 CG GLU A 47 -14.208 0.401 2.056 1.00 0.00 C ATOM 663 CD GLU A 47 -15.246 -0.670 2.328 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.654 -0.816 3.499 1.00 0.00 O ATOM 665 OE2 GLU A 47 -15.650 -1.362 1.370 1.00 0.00 O ATOM 0 H GLU A 47 -11.146 0.586 4.422 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.898 1.599 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.871 -0.270 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.931 1.034 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.711 1.324 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.591 0.097 1.211 1.00 0.00 H new ATOM 672 N LYS A 48 -12.514 3.971 2.244 1.00 0.00 N ATOM 673 CA LYS A 48 -12.954 5.357 2.352 1.00 0.00 C ATOM 674 C LYS A 48 -14.259 5.454 3.136 1.00 0.00 C ATOM 675 O LYS A 48 -14.436 6.354 3.956 1.00 0.00 O ATOM 676 CB LYS A 48 -13.138 5.965 0.959 1.00 0.00 C ATOM 677 CG LYS A 48 -12.975 7.474 0.929 1.00 0.00 C ATOM 678 CD LYS A 48 -12.869 7.995 -0.495 1.00 0.00 C ATOM 679 CE LYS A 48 -12.274 9.394 -0.534 1.00 0.00 C ATOM 680 NZ LYS A 48 -13.250 10.424 -0.082 1.00 0.00 N ATOM 0 H LYS A 48 -12.050 3.743 1.365 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.186 5.915 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.416 5.516 0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.130 5.707 0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.824 7.943 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.083 7.756 1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.251 7.319 -1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.858 8.006 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.388 9.430 0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.949 9.622 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.807 11.364 -0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.085 10.407 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.541 10.221 0.896 1.00 0.00 H new ATOM 769 N VAL A 56 -8.900 1.058 9.433 1.00 0.00 N ATOM 770 CA VAL A 56 -7.689 0.980 8.625 1.00 0.00 C ATOM 771 C VAL A 56 -6.867 -0.253 8.984 1.00 0.00 C ATOM 772 O VAL A 56 -6.789 -0.641 10.150 1.00 0.00 O ATOM 773 CB VAL A 56 -6.815 2.236 8.800 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.601 2.536 10.276 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.484 2.062 8.084 1.00 0.00 C ATOM 0 HA VAL A 56 -8.007 0.910 7.585 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.334 3.084 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.981 3.427 10.380 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.565 2.706 10.756 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.104 1.690 10.751 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.879 2.959 8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.957 1.203 8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.661 1.899 7.021 1.00 0.00 H new ATOM 785 N ARG A 57 -6.254 -0.863 7.975 1.00 0.00 N ATOM 786 CA ARG A 57 -5.438 -2.053 8.185 1.00 0.00 C ATOM 787 C ARG A 57 -3.958 -1.739 7.983 1.00 0.00 C ATOM 788 O ARG A 57 -3.599 -0.644 7.549 1.00 0.00 O ATOM 789 CB ARG A 57 -5.868 -3.168 7.230 1.00 0.00 C ATOM 790 CG ARG A 57 -7.086 -3.942 7.708 1.00 0.00 C ATOM 791 CD ARG A 57 -6.700 -5.039 8.687 1.00 0.00 C ATOM 792 NE ARG A 57 -7.827 -5.451 9.520 1.00 0.00 N ATOM 793 CZ ARG A 57 -7.723 -6.315 10.523 1.00 0.00 C ATOM 794 NH1 ARG A 57 -6.548 -6.856 10.816 1.00 0.00 N ATOM 795 NH2 ARG A 57 -8.794 -6.640 11.235 1.00 0.00 N ATOM 0 H ARG A 57 -6.307 -0.553 7.005 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.585 -2.387 9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.083 -2.735 6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.037 -3.861 7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.789 -3.258 8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.599 -4.381 6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.323 -5.900 8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.888 -4.687 9.324 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.745 -5.053 9.320 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.722 -6.609 10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.470 -7.519 11.587 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.699 -6.226 11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.712 -7.304 12.005 1.00 0.00 H new ATOM 809 N PHE A 58 -3.105 -2.707 8.301 1.00 0.00 N ATOM 810 CA PHE A 58 -1.664 -2.533 8.155 1.00 0.00 C ATOM 811 C PHE A 58 -1.016 -3.801 7.605 1.00 0.00 C ATOM 812 O PHE A 58 -1.217 -4.894 8.135 1.00 0.00 O ATOM 813 CB PHE A 58 -1.035 -2.169 9.502 1.00 0.00 C ATOM 814 CG PHE A 58 -1.004 -0.691 9.768 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.180 0.019 9.949 1.00 0.00 C ATOM 816 CD2 PHE A 58 0.202 -0.011 9.838 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.154 1.379 10.194 1.00 0.00 C ATOM 818 CE2 PHE A 58 0.234 1.349 10.083 1.00 0.00 C ATOM 819 CZ PHE A 58 -0.946 2.044 10.262 1.00 0.00 C ATOM 0 H PHE A 58 -3.386 -3.619 8.661 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.490 -1.721 7.448 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.591 -2.662 10.299 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.017 -2.558 9.536 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.128 -0.496 9.898 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.127 -0.550 9.699 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.078 1.921 10.332 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.180 1.867 10.134 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.924 3.106 10.455 1.00 0.00 H new ATOM 829 N LEU A 59 -0.240 -3.646 6.539 1.00 0.00 N ATOM 830 CA LEU A 59 0.438 -4.777 5.915 1.00 0.00 C ATOM 831 C LEU A 59 1.923 -4.484 5.724 1.00 0.00 C ATOM 832 O LEU A 59 2.303 -3.667 4.885 1.00 0.00 O ATOM 833 CB LEU A 59 -0.207 -5.103 4.567 1.00 0.00 C ATOM 834 CG LEU A 59 0.597 -6.016 3.641 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.266 -7.476 3.912 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.329 -5.668 2.184 1.00 0.00 C ATOM 0 H LEU A 59 -0.064 -2.748 6.088 1.00 0.00 H new ATOM 0 HA LEU A 59 0.339 -5.638 6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.175 -5.569 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.400 -4.167 4.043 1.00 0.00 H new ATOM 0 HG LEU A 59 1.657 -5.862 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.848 -8.111 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.510 -7.718 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.797 -7.646 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.910 -6.328 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.732 -5.793 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.617 -4.633 1.998 1.00 0.00 H new ATOM 848 N LYS A 60 2.759 -5.159 6.505 1.00 0.00 N ATOM 849 CA LYS A 60 4.203 -4.975 6.421 1.00 0.00 C ATOM 850 C LYS A 60 4.836 -6.039 5.530 1.00 0.00 C ATOM 851 O LYS A 60 4.703 -7.237 5.785 1.00 0.00 O ATOM 852 CB LYS A 60 4.827 -5.026 7.817 1.00 0.00 C ATOM 853 CG LYS A 60 4.676 -3.733 8.598 1.00 0.00 C ATOM 854 CD LYS A 60 4.739 -3.976 10.097 1.00 0.00 C ATOM 855 CE LYS A 60 3.443 -4.578 10.618 1.00 0.00 C ATOM 856 NZ LYS A 60 3.638 -5.272 11.921 1.00 0.00 N ATOM 0 H LYS A 60 2.461 -5.839 7.204 1.00 0.00 H new ATOM 0 HA LYS A 60 4.394 -3.997 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.368 -5.837 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.887 -5.263 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.464 -3.038 8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.726 -3.263 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.569 -4.645 10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.937 -3.036 10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.698 -3.791 10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.050 -5.284 9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.732 -5.668 12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.330 -6.040 11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.988 -4.593 12.627 1.00 0.00 H new ATOM 870 N THR A 61 5.526 -5.595 4.484 1.00 0.00 N ATOM 871 CA THR A 61 6.179 -6.509 3.556 1.00 0.00 C ATOM 872 C THR A 61 7.658 -6.172 3.402 1.00 0.00 C ATOM 873 O THR A 61 8.062 -5.021 3.565 1.00 0.00 O ATOM 874 CB THR A 61 5.510 -6.476 2.169 1.00 0.00 C ATOM 875 OG1 THR A 61 6.306 -7.197 1.223 1.00 0.00 O ATOM 876 CG2 THR A 61 5.321 -5.044 1.693 1.00 0.00 C ATOM 0 H THR A 61 5.647 -4.608 4.259 1.00 0.00 H new ATOM 0 HA THR A 61 6.078 -7.510 3.976 1.00 0.00 H new ATOM 0 HB THR A 61 4.530 -6.947 2.252 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.721 -7.715 0.631 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.847 -5.046 0.712 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.689 -4.506 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.291 -4.552 1.626 1.00 0.00 H new ATOM 884 N SER A 62 8.461 -7.183 3.085 1.00 0.00 N ATOM 885 CA SER A 62 9.896 -6.994 2.912 1.00 0.00 C ATOM 886 C SER A 62 10.205 -6.408 1.537 1.00 0.00 C ATOM 887 O SER A 62 11.088 -5.564 1.396 1.00 0.00 O ATOM 888 CB SER A 62 10.632 -8.324 3.089 1.00 0.00 C ATOM 889 OG SER A 62 12.032 -8.154 2.947 1.00 0.00 O ATOM 0 H SER A 62 8.142 -8.141 2.943 1.00 0.00 H new ATOM 0 HA SER A 62 10.239 -6.293 3.672 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.411 -8.738 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.273 -9.043 2.353 1.00 0.00 H new ATOM 0 HG SER A 62 12.480 -9.017 3.066 1.00 0.00 H new ATOM 895 N GLU A 63 9.469 -6.864 0.528 1.00 0.00 N ATOM 896 CA GLU A 63 9.665 -6.385 -0.836 1.00 0.00 C ATOM 897 C GLU A 63 8.868 -5.108 -1.084 1.00 0.00 C ATOM 898 O GLU A 63 7.968 -4.767 -0.318 1.00 0.00 O ATOM 899 CB GLU A 63 9.252 -7.462 -1.842 1.00 0.00 C ATOM 900 CG GLU A 63 7.771 -7.799 -1.797 1.00 0.00 C ATOM 901 CD GLU A 63 7.488 -9.236 -2.191 1.00 0.00 C ATOM 902 OE1 GLU A 63 8.091 -9.712 -3.176 1.00 0.00 O ATOM 903 OE2 GLU A 63 6.664 -9.885 -1.513 1.00 0.00 O ATOM 0 H GLU A 63 8.733 -7.563 0.629 1.00 0.00 H new ATOM 0 HA GLU A 63 10.724 -6.162 -0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.510 -7.127 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.828 -8.367 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.392 -7.621 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.229 -7.129 -2.465 1.00 0.00 H new ATOM 910 N ASN A 64 9.206 -4.406 -2.161 1.00 0.00 N ATOM 911 CA ASN A 64 8.523 -3.166 -2.510 1.00 0.00 C ATOM 912 C ASN A 64 7.256 -3.450 -3.311 1.00 0.00 C ATOM 913 O ASN A 64 6.817 -2.624 -4.111 1.00 0.00 O ATOM 914 CB ASN A 64 9.454 -2.256 -3.313 1.00 0.00 C ATOM 915 CG ASN A 64 9.790 -2.830 -4.676 1.00 0.00 C ATOM 916 OD1 ASN A 64 9.246 -3.857 -5.081 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.691 -2.167 -5.392 1.00 0.00 N ATOM 0 H ASN A 64 9.948 -4.675 -2.807 1.00 0.00 H new ATOM 0 HA ASN A 64 8.242 -2.662 -1.585 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.984 -1.280 -3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.375 -2.097 -2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.957 -2.505 -6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.117 -1.319 -5.017 1.00 0.00 H new ATOM 924 N ARG A 65 6.672 -4.623 -3.089 1.00 0.00 N ATOM 925 CA ARG A 65 5.456 -5.017 -3.790 1.00 0.00 C ATOM 926 C ARG A 65 4.577 -5.894 -2.903 1.00 0.00 C ATOM 927 O ARG A 65 5.063 -6.818 -2.251 1.00 0.00 O ATOM 928 CB ARG A 65 5.804 -5.763 -5.079 1.00 0.00 C ATOM 929 CG ARG A 65 6.633 -7.016 -4.853 1.00 0.00 C ATOM 930 CD ARG A 65 6.899 -7.751 -6.158 1.00 0.00 C ATOM 931 NE ARG A 65 7.890 -7.064 -6.981 1.00 0.00 N ATOM 932 CZ ARG A 65 8.416 -7.582 -8.085 1.00 0.00 C ATOM 933 NH1 ARG A 65 8.047 -8.788 -8.496 1.00 0.00 N ATOM 934 NH2 ARG A 65 9.312 -6.895 -8.781 1.00 0.00 N ATOM 0 H ARG A 65 7.022 -5.317 -2.429 1.00 0.00 H new ATOM 0 HA ARG A 65 4.902 -4.113 -4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.881 -6.036 -5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.350 -5.091 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.580 -6.747 -4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.113 -7.678 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.246 -8.761 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.968 -7.847 -6.716 1.00 0.00 H new ATOM 0 HE ARG A 65 8.195 -6.135 -6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.358 -9.319 -7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.452 -9.184 -9.344 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.598 -5.967 -8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.715 -7.295 -9.629 1.00 0.00 H new ATOM 948 N ALA A 66 3.282 -5.598 -2.884 1.00 0.00 N ATOM 949 CA ALA A 66 2.335 -6.360 -2.080 1.00 0.00 C ATOM 950 C ALA A 66 1.016 -6.553 -2.820 1.00 0.00 C ATOM 951 O ALA A 66 0.551 -5.656 -3.521 1.00 0.00 O ATOM 952 CB ALA A 66 2.098 -5.667 -0.746 1.00 0.00 C ATOM 0 H ALA A 66 2.864 -4.835 -3.417 1.00 0.00 H new ATOM 0 HA ALA A 66 2.764 -7.345 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.389 -6.247 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.041 -5.587 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.695 -4.670 -0.921 1.00 0.00 H new ATOM 958 N GLU A 67 0.419 -7.730 -2.658 1.00 0.00 N ATOM 959 CA GLU A 67 -0.846 -8.040 -3.313 1.00 0.00 C ATOM 960 C GLU A 67 -1.946 -8.284 -2.284 1.00 0.00 C ATOM 961 O GLU A 67 -1.998 -9.341 -1.653 1.00 0.00 O ATOM 962 CB GLU A 67 -0.693 -9.268 -4.213 1.00 0.00 C ATOM 963 CG GLU A 67 -1.939 -9.591 -5.020 1.00 0.00 C ATOM 964 CD GLU A 67 -1.741 -10.770 -5.953 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.639 -10.895 -6.527 1.00 0.00 O ATOM 966 OE2 GLU A 67 -2.689 -11.568 -6.109 1.00 0.00 O ATOM 0 H GLU A 67 0.791 -8.483 -2.080 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.128 -7.183 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.140 -9.105 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.436 -10.130 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.763 -9.806 -4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.227 -8.716 -5.603 1.00 0.00 H new ATOM 973 N LEU A 68 -2.824 -7.300 -2.120 1.00 0.00 N ATOM 974 CA LEU A 68 -3.923 -7.407 -1.167 1.00 0.00 C ATOM 975 C LEU A 68 -4.945 -8.441 -1.628 1.00 0.00 C ATOM 976 O LEU A 68 -5.668 -8.223 -2.600 1.00 0.00 O ATOM 977 CB LEU A 68 -4.602 -6.048 -0.987 1.00 0.00 C ATOM 978 CG LEU A 68 -3.670 -4.858 -0.751 1.00 0.00 C ATOM 979 CD1 LEU A 68 -4.404 -3.549 -0.993 1.00 0.00 C ATOM 980 CD2 LEU A 68 -3.099 -4.900 0.659 1.00 0.00 C ATOM 0 H LEU A 68 -2.796 -6.420 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.512 -7.731 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.202 -5.844 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.291 -6.117 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.843 -4.922 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.725 -2.714 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.763 -3.518 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.251 -3.475 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.438 -4.046 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.913 -4.861 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.536 -5.823 0.796 1.00 0.00 H new ATOM 992 N ARG A 69 -5.000 -9.566 -0.923 1.00 0.00 N ATOM 993 CA ARG A 69 -5.934 -10.634 -1.259 1.00 0.00 C ATOM 994 C ARG A 69 -7.269 -10.432 -0.548 1.00 0.00 C ATOM 995 O ARG A 69 -7.329 -9.830 0.523 1.00 0.00 O ATOM 996 CB ARG A 69 -5.344 -11.994 -0.883 1.00 0.00 C ATOM 997 CG ARG A 69 -4.051 -12.320 -1.613 1.00 0.00 C ATOM 998 CD ARG A 69 -3.439 -13.618 -1.110 1.00 0.00 C ATOM 999 NE ARG A 69 -2.871 -13.472 0.228 1.00 0.00 N ATOM 1000 CZ ARG A 69 -2.616 -14.497 1.033 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -2.876 -15.736 0.638 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -2.098 -14.285 2.236 1.00 0.00 N ATOM 0 H ARG A 69 -4.409 -9.762 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.107 -10.606 -2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.160 -12.016 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.078 -12.771 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.246 -12.399 -2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.340 -11.505 -1.478 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.201 -14.397 -1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.661 -13.944 -1.801 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.659 -12.532 0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.273 -15.904 -0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.679 -16.521 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.895 -13.334 2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.903 -15.073 2.853 1.00 0.00 H new ATOM 1016 N GLY A 70 -8.339 -10.941 -1.152 1.00 0.00 N ATOM 1017 CA GLY A 70 -9.658 -10.806 -0.563 1.00 0.00 C ATOM 1018 C GLY A 70 -10.105 -9.361 -0.466 1.00 0.00 C ATOM 1019 O GLY A 70 -9.829 -8.682 0.524 1.00 0.00 O ATOM 0 H GLY A 70 -8.315 -11.444 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.378 -11.366 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.655 -11.250 0.433 1.00 0.00 H new ATOM 1023 N LEU A 71 -10.796 -8.887 -1.498 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.281 -7.512 -1.526 1.00 0.00 C ATOM 1025 C LEU A 71 -12.638 -7.428 -2.218 1.00 0.00 C ATOM 1026 O LEU A 71 -13.130 -8.414 -2.767 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.274 -6.610 -2.243 1.00 0.00 C ATOM 1028 CG LEU A 71 -8.901 -6.480 -1.582 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.925 -5.781 -2.515 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -9.013 -5.729 -0.263 1.00 0.00 C ATOM 0 H LEU A 71 -11.032 -9.435 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.396 -7.172 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.133 -6.989 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.708 -5.614 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.521 -7.481 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.953 -5.697 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.822 -6.359 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.299 -4.785 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.027 -5.646 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.414 -4.732 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.679 -6.271 0.409 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.239 -6.243 -2.188 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.538 -6.027 -2.814 1.00 0.00 C ATOM 1044 C LYS A 72 -14.406 -5.143 -4.051 1.00 0.00 C ATOM 1045 O LYS A 72 -14.710 -3.951 -4.008 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.507 -5.387 -1.818 1.00 0.00 C ATOM 1047 CG LYS A 72 -15.976 -6.337 -0.730 1.00 0.00 C ATOM 1048 CD LYS A 72 -17.192 -5.792 0.000 1.00 0.00 C ATOM 1049 CE LYS A 72 -18.447 -5.896 -0.853 1.00 0.00 C ATOM 1050 NZ LYS A 72 -19.642 -5.352 -0.150 1.00 0.00 N ATOM 0 H LYS A 72 -12.847 -5.417 -1.736 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.931 -6.996 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.023 -4.527 -1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.375 -5.011 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.218 -7.304 -1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.168 -6.504 -0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.336 -6.342 0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.019 -4.750 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.297 -5.354 -1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.623 -6.939 -1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.477 -5.441 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.800 -5.885 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.485 -4.349 0.077 1.00 0.00 H new ATOM 1064 N ARG A 73 -13.951 -5.735 -5.150 1.00 0.00 N ATOM 1065 CA ARG A 73 -13.779 -5.001 -6.398 1.00 0.00 C ATOM 1066 C ARG A 73 -14.861 -3.937 -6.556 1.00 0.00 C ATOM 1067 O ARG A 73 -16.043 -4.203 -6.344 1.00 0.00 O ATOM 1068 CB ARG A 73 -13.815 -5.961 -7.588 1.00 0.00 C ATOM 1069 CG ARG A 73 -15.161 -6.640 -7.782 1.00 0.00 C ATOM 1070 CD ARG A 73 -15.161 -7.536 -9.011 1.00 0.00 C ATOM 1071 NE ARG A 73 -16.431 -8.239 -9.176 1.00 0.00 N ATOM 1072 CZ ARG A 73 -16.724 -8.988 -10.233 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -15.843 -9.131 -11.213 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -17.900 -9.597 -10.310 1.00 0.00 N ATOM 0 H ARG A 73 -13.695 -6.721 -5.202 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.808 -4.506 -6.369 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.560 -5.412 -8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.049 -6.724 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.402 -7.232 -6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.940 -5.884 -7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.962 -6.935 -9.898 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.352 -8.262 -8.930 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.131 -8.150 -8.439 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.937 -8.665 -11.157 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.071 -9.707 -12.024 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.580 -9.490 -9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.124 -10.172 -11.122 1.00 0.00 H new ATOM 1088 N GLY A 74 -14.447 -2.730 -6.929 1.00 0.00 N ATOM 1089 CA GLY A 74 -15.393 -1.644 -7.109 1.00 0.00 C ATOM 1090 C GLY A 74 -15.276 -0.589 -6.026 1.00 0.00 C ATOM 1091 O GLY A 74 -15.119 0.596 -6.319 1.00 0.00 O ATOM 0 H GLY A 74 -13.474 -2.485 -7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.230 -1.181 -8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.406 -2.046 -7.113 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.356 -1.020 -4.771 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.258 -0.104 -3.642 1.00 0.00 C ATOM 1097 C ALA A 75 -13.889 0.567 -3.595 1.00 0.00 C ATOM 1098 O ALA A 75 -12.859 -0.094 -3.725 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.531 -0.842 -2.339 1.00 0.00 C ATOM 0 H ALA A 75 -15.488 -1.997 -4.511 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.010 0.674 -3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.455 -0.146 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.534 -1.268 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.800 -1.641 -2.213 1.00 0.00 H new ATOM 1105 N SER A 76 -13.887 1.883 -3.411 1.00 0.00 N ATOM 1106 CA SER A 76 -12.644 2.644 -3.352 1.00 0.00 C ATOM 1107 C SER A 76 -11.777 2.178 -2.186 1.00 0.00 C ATOM 1108 O SER A 76 -12.286 1.794 -1.133 1.00 0.00 O ATOM 1109 CB SER A 76 -12.943 4.138 -3.215 1.00 0.00 C ATOM 1110 OG SER A 76 -13.516 4.654 -4.404 1.00 0.00 O ATOM 0 H SER A 76 -14.731 2.444 -3.300 1.00 0.00 H new ATOM 0 HA SER A 76 -12.097 2.474 -4.279 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.623 4.301 -2.379 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.023 4.677 -2.987 1.00 0.00 H new ATOM 0 HG SER A 76 -13.699 5.610 -4.291 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.463 2.216 -2.383 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.524 1.796 -1.350 1.00 0.00 C ATOM 1118 C TYR A 77 -8.273 2.670 -1.364 1.00 0.00 C ATOM 1119 O TYR A 77 -7.459 2.596 -2.285 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.136 0.330 -1.549 1.00 0.00 C ATOM 1121 CG TYR A 77 -10.087 -0.643 -0.888 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -10.205 -0.696 0.495 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -10.865 -1.508 -1.646 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -11.072 -1.583 1.104 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.735 -2.398 -1.046 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.835 -2.432 0.329 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.700 -3.317 0.931 1.00 0.00 O ATOM 0 H TYR A 77 -10.025 2.533 -3.248 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.014 1.907 -0.383 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.094 0.116 -2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.133 0.171 -1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.609 -0.033 1.105 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.789 -1.485 -2.723 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.152 -1.612 2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.333 -3.063 -1.651 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.162 -3.841 0.244 1.00 0.00 H new ATOM 1137 N LEU A 78 -8.127 3.498 -0.335 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.976 4.387 -0.225 1.00 0.00 C ATOM 1139 C LEU A 78 -5.769 3.648 0.341 1.00 0.00 C ATOM 1140 O LEU A 78 -5.677 3.418 1.547 1.00 0.00 O ATOM 1141 CB LEU A 78 -7.316 5.587 0.661 1.00 0.00 C ATOM 1142 CG LEU A 78 -8.078 6.727 -0.016 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -7.209 7.401 -1.066 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -9.367 6.210 -0.639 1.00 0.00 C ATOM 0 H LEU A 78 -8.792 3.572 0.435 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.725 4.741 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.907 5.233 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.387 5.988 1.067 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.335 7.467 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.768 8.209 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.315 7.806 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.920 6.671 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.897 7.034 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.132 5.450 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.997 5.775 0.137 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.842 3.278 -0.537 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.638 2.567 -0.124 1.00 0.00 C ATOM 1158 C VAL A 79 -2.436 3.504 -0.075 1.00 0.00 C ATOM 1159 O VAL A 79 -2.157 4.222 -1.035 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.323 1.396 -1.075 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -2.184 0.553 -0.524 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.565 0.547 -1.303 1.00 0.00 C ATOM 0 H VAL A 79 -4.902 3.459 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.830 2.173 0.874 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.009 1.804 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.976 -0.269 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.293 1.171 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.466 0.152 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.325 -0.275 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.912 0.146 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.349 1.161 -1.745 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.728 3.491 1.050 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.556 4.340 1.224 1.00 0.00 C ATOM 1174 C GLN A 80 0.671 3.508 1.583 1.00 0.00 C ATOM 1175 O GLN A 80 0.681 2.801 2.591 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.814 5.385 2.311 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.841 6.434 1.915 1.00 0.00 C ATOM 1178 CD GLN A 80 -1.839 7.632 2.844 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -0.934 7.796 3.663 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -2.855 8.478 2.721 1.00 0.00 N ATOM 0 H GLN A 80 -1.946 2.902 1.854 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.364 4.848 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.153 4.880 3.216 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.125 5.882 2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.640 6.768 0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.833 5.983 1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.583 8.303 2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.907 9.303 3.319 1.00 0.00 H new ATOM 1189 N VAL A 81 1.704 3.597 0.752 1.00 0.00 N ATOM 1190 CA VAL A 81 2.937 2.853 0.982 1.00 0.00 C ATOM 1191 C VAL A 81 4.038 3.764 1.513 1.00 0.00 C ATOM 1192 O VAL A 81 4.234 4.872 1.015 1.00 0.00 O ATOM 1193 CB VAL A 81 3.429 2.169 -0.308 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.583 1.226 -0.005 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.287 1.427 -0.986 1.00 0.00 C ATOM 0 H VAL A 81 1.712 4.177 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 81 2.711 2.089 1.726 1.00 0.00 H new ATOM 0 HB VAL A 81 3.789 2.938 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.917 0.752 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.407 1.789 0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.253 0.460 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.652 0.950 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.895 0.667 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.495 2.132 -1.239 1.00 0.00 H new ATOM 1205 N ARG A 82 4.754 3.288 2.526 1.00 0.00 N ATOM 1206 CA ARG A 82 5.835 4.060 3.126 1.00 0.00 C ATOM 1207 C ARG A 82 7.094 3.210 3.272 1.00 0.00 C ATOM 1208 O ARG A 82 7.035 1.982 3.222 1.00 0.00 O ATOM 1209 CB ARG A 82 5.409 4.598 4.493 1.00 0.00 C ATOM 1210 CG ARG A 82 5.244 3.517 5.549 1.00 0.00 C ATOM 1211 CD ARG A 82 5.246 4.103 6.952 1.00 0.00 C ATOM 1212 NE ARG A 82 5.083 3.074 7.975 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.709 3.331 9.223 1.00 0.00 C ATOM 1214 NH1 ARG A 82 4.459 4.578 9.600 1.00 0.00 N ATOM 1215 NH2 ARG A 82 4.583 2.341 10.097 1.00 0.00 N ATOM 0 H ARG A 82 4.605 2.372 2.948 1.00 0.00 H new ATOM 0 HA ARG A 82 6.058 4.899 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.150 5.320 4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.467 5.135 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.311 2.981 5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.051 2.790 5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.181 4.637 7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.442 4.833 7.041 1.00 0.00 H new ATOM 0 HE ARG A 82 5.266 2.104 7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.554 5.342 8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.172 4.773 10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.774 1.381 9.811 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.296 2.540 11.055 1.00 0.00 H new ATOM 1229 N ALA A 83 8.232 3.873 3.451 1.00 0.00 N ATOM 1230 CA ALA A 83 9.504 3.179 3.605 1.00 0.00 C ATOM 1231 C ALA A 83 10.033 3.312 5.029 1.00 0.00 C ATOM 1232 O ALA A 83 9.830 4.335 5.684 1.00 0.00 O ATOM 1233 CB ALA A 83 10.522 3.716 2.610 1.00 0.00 C ATOM 0 H ALA A 83 8.299 4.890 3.493 1.00 0.00 H new ATOM 0 HA ALA A 83 9.339 2.121 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.467 3.189 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.154 3.564 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.675 4.781 2.785 1.00 0.00 H new ATOM 1239 N ARG A 84 10.711 2.272 5.503 1.00 0.00 N ATOM 1240 CA ARG A 84 11.267 2.272 6.851 1.00 0.00 C ATOM 1241 C ARG A 84 12.598 1.527 6.890 1.00 0.00 C ATOM 1242 O ARG A 84 12.750 0.473 6.272 1.00 0.00 O ATOM 1243 CB ARG A 84 10.283 1.631 7.832 1.00 0.00 C ATOM 1244 CG ARG A 84 10.866 1.403 9.217 1.00 0.00 C ATOM 1245 CD ARG A 84 11.507 0.029 9.331 1.00 0.00 C ATOM 1246 NE ARG A 84 12.392 -0.067 10.489 1.00 0.00 N ATOM 1247 CZ ARG A 84 12.812 -1.219 11.000 1.00 0.00 C ATOM 1248 NH1 ARG A 84 12.430 -2.367 10.457 1.00 0.00 N ATOM 1249 NH2 ARG A 84 13.616 -1.225 12.055 1.00 0.00 N ATOM 0 H ARG A 84 10.889 1.418 4.974 1.00 0.00 H new ATOM 0 HA ARG A 84 11.440 3.307 7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.402 2.267 7.918 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.948 0.676 7.426 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.609 2.171 9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.080 1.502 9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.728 -0.730 9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.072 -0.184 8.424 1.00 0.00 H new ATOM 0 HE ARG A 84 12.705 0.798 10.930 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.812 -2.367 9.645 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.754 -3.250 10.851 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.913 -0.344 12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.938 -2.110 12.446 1.00 0.00 H new ATOM 1263 N SER A 85 13.560 2.082 7.620 1.00 0.00 N ATOM 1264 CA SER A 85 14.880 1.473 7.736 1.00 0.00 C ATOM 1265 C SER A 85 15.314 1.392 9.197 1.00 0.00 C ATOM 1266 O SER A 85 14.667 1.954 10.079 1.00 0.00 O ATOM 1267 CB SER A 85 15.906 2.272 6.931 1.00 0.00 C ATOM 1268 OG SER A 85 17.124 1.558 6.807 1.00 0.00 O ATOM 0 H SER A 85 13.450 2.953 8.140 1.00 0.00 H new ATOM 0 HA SER A 85 14.823 0.461 7.335 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.506 2.490 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.090 3.229 7.419 1.00 0.00 H new ATOM 0 HG SER A 85 17.097 1.003 6.000 1.00 0.00 H new ATOM 1274 N GLU A 86 16.414 0.687 9.442 1.00 0.00 N ATOM 1275 CA GLU A 86 16.935 0.532 10.796 1.00 0.00 C ATOM 1276 C GLU A 86 16.805 1.833 11.582 1.00 0.00 C ATOM 1277 O GLU A 86 16.569 1.821 12.789 1.00 0.00 O ATOM 1278 CB GLU A 86 18.399 0.091 10.755 1.00 0.00 C ATOM 1279 CG GLU A 86 19.302 1.048 9.994 1.00 0.00 C ATOM 1280 CD GLU A 86 19.824 2.174 10.865 1.00 0.00 C ATOM 1281 OE1 GLU A 86 20.352 1.882 11.958 1.00 0.00 O ATOM 1282 OE2 GLU A 86 19.705 3.347 10.454 1.00 0.00 O ATOM 0 H GLU A 86 16.961 0.215 8.722 1.00 0.00 H new ATOM 0 HA GLU A 86 16.346 -0.235 11.299 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.768 -0.009 11.776 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.460 -0.896 10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.144 0.494 9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.752 1.469 9.153 1.00 0.00 H new ATOM 1289 N ALA A 87 16.962 2.955 10.887 1.00 0.00 N ATOM 1290 CA ALA A 87 16.861 4.265 11.518 1.00 0.00 C ATOM 1291 C ALA A 87 15.485 4.469 12.142 1.00 0.00 C ATOM 1292 O ALA A 87 15.363 4.653 13.353 1.00 0.00 O ATOM 1293 CB ALA A 87 17.151 5.363 10.505 1.00 0.00 C ATOM 0 H ALA A 87 17.160 2.983 9.887 1.00 0.00 H new ATOM 0 HA ALA A 87 17.604 4.315 12.314 1.00 0.00 H new ATOM 0 HB1 ALA A 87 17.072 6.336 10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.159 5.236 10.109 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.431 5.305 9.689 1.00 0.00 H new ATOM 1299 N GLY A 88 14.450 4.437 11.308 1.00 0.00 N ATOM 1300 CA GLY A 88 13.097 4.621 11.797 1.00 0.00 C ATOM 1301 C GLY A 88 12.082 4.714 10.674 1.00 0.00 C ATOM 1302 O GLY A 88 12.445 4.919 9.516 1.00 0.00 O ATOM 0 H GLY A 88 14.525 4.287 10.302 1.00 0.00 H new ATOM 0 HA2 GLY A 88 12.835 3.790 12.452 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.052 5.528 12.399 1.00 0.00 H new ATOM 1306 N TYR A 89 10.808 4.563 11.017 1.00 0.00 N ATOM 1307 CA TYR A 89 9.738 4.628 10.028 1.00 0.00 C ATOM 1308 C TYR A 89 9.742 5.972 9.308 1.00 0.00 C ATOM 1309 O TYR A 89 9.707 7.028 9.939 1.00 0.00 O ATOM 1310 CB TYR A 89 8.382 4.399 10.698 1.00 0.00 C ATOM 1311 CG TYR A 89 7.971 2.945 10.754 1.00 0.00 C ATOM 1312 CD1 TYR A 89 7.369 2.330 9.664 1.00 0.00 C ATOM 1313 CD2 TYR A 89 8.187 2.186 11.898 1.00 0.00 C ATOM 1314 CE1 TYR A 89 6.992 1.002 9.712 1.00 0.00 C ATOM 1315 CE2 TYR A 89 7.814 0.857 11.954 1.00 0.00 C ATOM 1316 CZ TYR A 89 7.217 0.270 10.859 1.00 0.00 C ATOM 1317 OH TYR A 89 6.844 -1.054 10.910 1.00 0.00 O ATOM 0 H TYR A 89 10.491 4.395 11.972 1.00 0.00 H new ATOM 0 HA TYR A 89 9.910 3.842 9.292 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.416 4.797 11.712 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.620 4.962 10.159 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.193 2.900 8.764 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.654 2.643 12.758 1.00 0.00 H new ATOM 0 HE1 TYR A 89 6.524 0.539 8.856 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.989 0.281 12.851 1.00 0.00 H new ATOM 0 HH TYR A 89 7.074 -1.425 11.788 1.00 0.00 H new ATOM 1327 N GLY A 90 9.786 5.925 7.980 1.00 0.00 N ATOM 1328 CA GLY A 90 9.793 7.145 7.194 1.00 0.00 C ATOM 1329 C GLY A 90 8.400 7.696 6.965 1.00 0.00 C ATOM 1330 O GLY A 90 7.400 7.102 7.370 1.00 0.00 O ATOM 0 H GLY A 90 9.817 5.064 7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.399 7.896 7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.266 6.951 6.231 1.00 0.00 H new ATOM 1334 N PRO A 91 8.321 8.861 6.304 1.00 0.00 N ATOM 1335 CA PRO A 91 7.045 9.518 6.009 1.00 0.00 C ATOM 1336 C PRO A 91 6.228 8.760 4.968 1.00 0.00 C ATOM 1337 O PRO A 91 6.783 8.149 4.054 1.00 0.00 O ATOM 1338 CB PRO A 91 7.468 10.885 5.464 1.00 0.00 C ATOM 1339 CG PRO A 91 8.836 10.667 4.916 1.00 0.00 C ATOM 1340 CD PRO A 91 9.472 9.624 5.793 1.00 0.00 C ATOM 0 HA PRO A 91 6.403 9.573 6.888 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.783 11.232 4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.472 11.641 6.250 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.792 10.332 3.880 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.413 11.592 4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.157 8.990 5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.046 10.075 6.602 1.00 0.00 H new ATOM 1348 N PHE A 92 4.908 8.802 5.113 1.00 0.00 N ATOM 1349 CA PHE A 92 4.015 8.118 4.185 1.00 0.00 C ATOM 1350 C PHE A 92 4.084 8.750 2.798 1.00 0.00 C ATOM 1351 O PHE A 92 3.744 9.919 2.619 1.00 0.00 O ATOM 1352 CB PHE A 92 2.577 8.158 4.705 1.00 0.00 C ATOM 1353 CG PHE A 92 2.224 6.989 5.580 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.064 5.724 5.038 1.00 0.00 C ATOM 1355 CD2 PHE A 92 2.051 7.156 6.945 1.00 0.00 C ATOM 1356 CE1 PHE A 92 1.739 4.646 5.841 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.727 6.082 7.753 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.569 4.826 7.200 1.00 0.00 C ATOM 0 H PHE A 92 4.433 9.302 5.864 1.00 0.00 H new ATOM 0 HA PHE A 92 4.338 7.080 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.427 9.080 5.266 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.893 8.187 3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.195 5.578 3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.171 8.136 7.382 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.618 3.665 5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.598 6.225 8.816 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.313 3.986 7.829 1.00 0.00 H new ATOM 1368 N GLY A 93 4.526 7.967 1.818 1.00 0.00 N ATOM 1369 CA GLY A 93 4.633 8.467 0.460 1.00 0.00 C ATOM 1370 C GLY A 93 3.314 8.996 -0.068 1.00 0.00 C ATOM 1371 O GLY A 93 2.270 8.811 0.556 1.00 0.00 O ATOM 0 H GLY A 93 4.812 6.996 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.379 9.261 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.988 7.668 -0.191 1.00 0.00 H new ATOM 1375 N GLN A 94 3.362 9.658 -1.220 1.00 0.00 N ATOM 1376 CA GLN A 94 2.161 10.218 -1.829 1.00 0.00 C ATOM 1377 C GLN A 94 1.079 9.154 -1.975 1.00 0.00 C ATOM 1378 O GLN A 94 1.267 8.155 -2.669 1.00 0.00 O ATOM 1379 CB GLN A 94 2.491 10.818 -3.197 1.00 0.00 C ATOM 1380 CG GLN A 94 1.359 11.643 -3.788 1.00 0.00 C ATOM 1381 CD GLN A 94 1.590 11.991 -5.245 1.00 0.00 C ATOM 1382 OE1 GLN A 94 2.410 11.370 -5.922 1.00 0.00 O ATOM 1383 NE2 GLN A 94 0.866 12.989 -5.738 1.00 0.00 N ATOM 0 H GLN A 94 4.219 9.819 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 94 1.785 11.005 -1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.377 11.446 -3.105 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.741 10.012 -3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.424 11.090 -3.694 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.245 12.562 -3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.197 13.477 -5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.978 13.268 -6.713 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.055 9.376 -1.317 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.167 8.435 -1.374 1.00 0.00 C ATOM 1394 C GLU A 95 -1.481 8.049 -2.817 1.00 0.00 C ATOM 1395 O GLU A 95 -1.081 8.737 -3.756 1.00 0.00 O ATOM 1396 CB GLU A 95 -2.409 9.038 -0.715 1.00 0.00 C ATOM 1397 CG GLU A 95 -2.764 10.421 -1.235 1.00 0.00 C ATOM 1398 CD GLU A 95 -4.003 10.993 -0.575 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -5.117 10.722 -1.069 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -3.859 11.712 0.436 1.00 0.00 O ATOM 0 H GLU A 95 -0.227 10.199 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.876 7.536 -0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.255 8.370 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.248 9.094 0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.924 11.095 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.922 10.370 -2.312 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.199 6.943 -2.985 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.566 6.465 -4.313 1.00 0.00 C ATOM 1409 C HIS A 96 -4.031 6.040 -4.351 1.00 0.00 C ATOM 1410 O HIS A 96 -4.674 5.897 -3.311 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.673 5.293 -4.722 1.00 0.00 C ATOM 1412 CG HIS A 96 -1.488 5.169 -6.203 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -1.274 6.253 -7.028 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -1.485 4.080 -7.006 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -1.149 5.836 -8.275 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -1.272 4.521 -8.289 1.00 0.00 N ATOM 0 H HIS A 96 -2.538 6.361 -2.219 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.424 7.284 -5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.697 5.409 -4.251 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.104 4.368 -4.339 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -1.221 7.225 -6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.624 3.055 -6.696 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.976 6.464 -9.137 1.00 0.00 H new ATOM 1425 N HIS A 97 -4.553 5.840 -5.557 1.00 0.00 N ATOM 1426 CA HIS A 97 -5.943 5.431 -5.731 1.00 0.00 C ATOM 1427 C HIS A 97 -6.034 4.152 -6.557 1.00 0.00 C ATOM 1428 O HIS A 97 -5.935 4.186 -7.784 1.00 0.00 O ATOM 1429 CB HIS A 97 -6.744 6.546 -6.404 1.00 0.00 C ATOM 1430 CG HIS A 97 -6.963 7.740 -5.527 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -5.977 8.663 -5.251 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -8.066 8.160 -4.864 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -6.462 9.598 -4.455 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -7.728 9.317 -4.205 1.00 0.00 N ATOM 0 H HIS A 97 -4.035 5.954 -6.428 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.365 5.236 -4.745 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.224 6.861 -7.309 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.711 6.151 -6.714 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.031 7.676 -4.855 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.916 10.448 -4.073 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -8.353 9.869 -3.618 1.00 0.00 H new ATOM 1443 N SER A 98 -6.223 3.026 -5.877 1.00 0.00 N ATOM 1444 CA SER A 98 -6.323 1.735 -6.548 1.00 0.00 C ATOM 1445 C SER A 98 -7.615 1.641 -7.354 1.00 0.00 C ATOM 1446 O SER A 98 -8.630 1.151 -6.862 1.00 0.00 O ATOM 1447 CB SER A 98 -6.262 0.599 -5.526 1.00 0.00 C ATOM 1448 OG SER A 98 -4.921 0.224 -5.259 1.00 0.00 O ATOM 0 H SER A 98 -6.310 2.981 -4.862 1.00 0.00 H new ATOM 0 HA SER A 98 -5.480 1.643 -7.233 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.747 0.912 -4.601 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.816 -0.262 -5.901 1.00 0.00 H new ATOM 0 HG SER A 98 -4.909 -0.503 -4.601 1.00 0.00 H new