USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 681 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 7 THR OG1 : rot -40:sc= 0.8 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -97:sc= -1.06! USER MOD Single : A 15 HIS : no HD1:sc= -5.19! K(o=-5.2!,f=-1.3) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 149:sc= -0.492 (180deg=-2.01!) USER MOD Single : A 37 THR OG1 : rot 88:sc= 0.118 USER MOD Single : A 39 CYS SG : rot -46:sc= -1.41 USER MOD Single : A 41 SER OG : rot 180:sc=-0.00162 USER MOD Single : A 45 THR OG1 : rot 41:sc= -4.81! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 1.14 K(o=1.1,f=-0.47) USER MOD Single : A 76 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-2.9!) USER MOD Single : A 79 GLN : amide:sc= -5.88! C(o=-5.9!,f=-7.6!) USER MOD Single : A 80 GLN : amide:sc= -1.24 K(o=-1.2,f=-1.8) USER MOD Single : A 82 TYR OH : rot 92:sc= -0.556 USER MOD Single : A 84 THR OG1 : rot 77:sc= 1.28 USER MOD Single : A 87 GLN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.36) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 38:sc= 0.206 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 7 -7.605 -0.378 -10.923 1.00 0.00 N ATOM 67 CA THR A 7 -6.276 -0.213 -10.360 1.00 0.00 C ATOM 68 C THR A 7 -6.331 -0.291 -8.833 1.00 0.00 C ATOM 69 O THR A 7 -7.382 -0.072 -8.233 1.00 0.00 O ATOM 70 CB THR A 7 -5.702 1.106 -10.880 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.815 1.997 -10.870 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.301 1.029 -12.355 1.00 0.00 C ATOM 0 HA THR A 7 -5.612 -1.019 -10.672 1.00 0.00 H new ATOM 0 HB THR A 7 -4.835 1.385 -10.282 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.617 1.522 -11.172 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.900 1.991 -12.674 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.542 0.258 -12.486 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.175 0.783 -12.957 1.00 0.00 H new ATOM 80 N PRO A 8 -5.154 -0.613 -8.231 1.00 0.00 N ATOM 81 CA PRO A 8 -5.058 -0.723 -6.786 1.00 0.00 C ATOM 82 C PRO A 8 -5.055 0.659 -6.130 1.00 0.00 C ATOM 83 O PRO A 8 -5.755 0.884 -5.144 1.00 0.00 O ATOM 84 CB PRO A 8 -3.777 -1.502 -6.535 1.00 0.00 C ATOM 85 CG PRO A 8 -2.967 -1.397 -7.817 1.00 0.00 C ATOM 86 CD PRO A 8 -3.889 -0.880 -8.909 1.00 0.00 C ATOM 0 HA PRO A 8 -5.913 -1.236 -6.346 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.227 -1.087 -5.690 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.994 -2.543 -6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.121 -0.723 -7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.558 -2.370 -8.091 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.489 0.023 -9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.013 -1.616 -9.704 1.00 0.00 H new ATOM 94 N LEU A 9 -4.258 1.549 -6.703 1.00 0.00 N ATOM 95 CA LEU A 9 -4.155 2.904 -6.186 1.00 0.00 C ATOM 96 C LEU A 9 -5.555 3.509 -6.069 1.00 0.00 C ATOM 97 O LEU A 9 -5.903 4.082 -5.039 1.00 0.00 O ATOM 98 CB LEU A 9 -3.196 3.732 -7.044 1.00 0.00 C ATOM 99 CG LEU A 9 -2.161 4.563 -6.282 1.00 0.00 C ATOM 100 CD1 LEU A 9 -1.348 5.437 -7.238 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.825 5.386 -5.176 1.00 0.00 C ATOM 0 H LEU A 9 -3.678 1.359 -7.520 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.726 2.898 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.667 3.057 -7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.786 4.405 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.463 3.879 -5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.620 6.017 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.827 4.804 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.017 6.114 -7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.067 5.967 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.559 6.061 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.322 4.717 -4.473 1.00 0.00 H new ATOM 113 N SER A 10 -6.320 3.360 -7.141 1.00 0.00 N ATOM 114 CA SER A 10 -7.675 3.884 -7.171 1.00 0.00 C ATOM 115 C SER A 10 -8.558 3.111 -6.189 1.00 0.00 C ATOM 116 O SER A 10 -9.392 3.700 -5.503 1.00 0.00 O ATOM 117 CB SER A 10 -8.262 3.812 -8.582 1.00 0.00 C ATOM 118 OG SER A 10 -9.478 4.547 -8.693 1.00 0.00 O ATOM 0 H SER A 10 -6.027 2.884 -7.994 1.00 0.00 H new ATOM 0 HA SER A 10 -7.643 4.932 -6.873 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.537 4.201 -9.297 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.443 2.770 -8.847 1.00 0.00 H new ATOM 0 HG SER A 10 -9.820 4.477 -9.609 1.00 0.00 H new ATOM 124 N LEU A 11 -8.344 1.804 -6.153 1.00 0.00 N ATOM 125 CA LEU A 11 -9.110 0.945 -5.267 1.00 0.00 C ATOM 126 C LEU A 11 -8.846 1.351 -3.816 1.00 0.00 C ATOM 127 O LEU A 11 -9.757 1.344 -2.989 1.00 0.00 O ATOM 128 CB LEU A 11 -8.811 -0.527 -5.557 1.00 0.00 C ATOM 129 CG LEU A 11 -9.433 -1.099 -6.833 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.571 -2.225 -7.406 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.874 -1.550 -6.585 1.00 0.00 C ATOM 0 H LEU A 11 -7.651 1.319 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.178 1.071 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.730 -0.653 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.156 -1.121 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.467 -0.307 -7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.036 -2.614 -8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.579 -1.839 -7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.483 -3.025 -6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.293 -1.952 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.887 -2.321 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.470 -0.699 -6.257 1.00 0.00 H new ATOM 143 N THR A 12 -7.595 1.697 -3.550 1.00 0.00 N ATOM 144 CA THR A 12 -7.199 2.106 -2.213 1.00 0.00 C ATOM 145 C THR A 12 -7.720 3.512 -1.909 1.00 0.00 C ATOM 146 O THR A 12 -8.388 3.725 -0.899 1.00 0.00 O ATOM 147 CB THR A 12 -5.677 1.987 -2.113 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.202 2.590 -3.314 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.195 0.538 -2.209 1.00 0.00 C ATOM 0 H THR A 12 -6.842 1.703 -4.238 1.00 0.00 H new ATOM 0 HA THR A 12 -7.640 1.459 -1.455 1.00 0.00 H new ATOM 0 HB THR A 12 -5.341 2.420 -1.171 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.017 1.894 -3.979 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.108 0.510 -2.132 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.631 -0.045 -1.398 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.502 0.115 -3.165 1.00 0.00 H new ATOM 157 N LEU A 13 -7.394 4.435 -2.802 1.00 0.00 N ATOM 158 CA LEU A 13 -7.820 5.815 -2.642 1.00 0.00 C ATOM 159 C LEU A 13 -9.344 5.862 -2.519 1.00 0.00 C ATOM 160 O LEU A 13 -9.887 6.700 -1.801 1.00 0.00 O ATOM 161 CB LEU A 13 -7.268 6.681 -3.776 1.00 0.00 C ATOM 162 CG LEU A 13 -5.969 7.431 -3.475 1.00 0.00 C ATOM 163 CD1 LEU A 13 -6.141 8.368 -2.278 1.00 0.00 C ATOM 164 CD2 LEU A 13 -4.806 6.456 -3.277 1.00 0.00 C ATOM 0 H LEU A 13 -6.840 4.254 -3.639 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.412 6.236 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.104 6.045 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.029 7.410 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.726 8.052 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.203 8.889 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.922 9.096 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.421 7.788 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.895 7.015 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.027 5.791 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.667 5.867 -4.183 1.00 0.00 H new ATOM 176 N ASP A 14 -9.992 4.951 -3.231 1.00 0.00 N ATOM 177 CA ASP A 14 -11.443 4.878 -3.210 1.00 0.00 C ATOM 178 C ASP A 14 -11.908 4.438 -1.820 1.00 0.00 C ATOM 179 O ASP A 14 -13.001 4.797 -1.385 1.00 0.00 O ATOM 180 CB ASP A 14 -11.958 3.856 -4.226 1.00 0.00 C ATOM 181 CG ASP A 14 -12.087 4.376 -5.658 1.00 0.00 C ATOM 182 OD1 ASP A 14 -11.446 5.410 -5.946 1.00 0.00 O ATOM 183 OD2 ASP A 14 -12.823 3.728 -6.434 1.00 0.00 O ATOM 0 H ASP A 14 -9.539 4.257 -3.826 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.833 5.864 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.287 2.997 -4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.933 3.498 -3.896 1.00 0.00 H new ATOM 188 N HIS A 15 -11.054 3.668 -1.162 1.00 0.00 N ATOM 189 CA HIS A 15 -11.363 3.176 0.170 1.00 0.00 C ATOM 190 C HIS A 15 -10.348 3.732 1.171 1.00 0.00 C ATOM 191 O HIS A 15 -9.815 2.992 1.996 1.00 0.00 O ATOM 192 CB HIS A 15 -11.431 1.648 0.182 1.00 0.00 C ATOM 193 CG HIS A 15 -12.767 1.089 -0.249 1.00 0.00 C ATOM 194 ND1 HIS A 15 -13.962 1.471 0.335 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.082 0.176 -1.211 1.00 0.00 C ATOM 196 CE1 HIS A 15 -14.946 0.810 -0.257 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.399 0.008 -1.214 1.00 0.00 N ATOM 0 H HIS A 15 -10.148 3.373 -1.526 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.349 3.528 0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.655 1.255 -0.475 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.207 1.292 1.188 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.380 -0.325 -1.860 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -15.997 0.892 -0.022 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -14.916 -0.618 -1.831 1.00 0.00 H new ATOM 205 N TRP A 16 -10.112 5.032 1.066 1.00 0.00 N ATOM 206 CA TRP A 16 -9.171 5.695 1.951 1.00 0.00 C ATOM 207 C TRP A 16 -9.598 5.412 3.393 1.00 0.00 C ATOM 208 O TRP A 16 -8.754 5.216 4.267 1.00 0.00 O ATOM 209 CB TRP A 16 -9.083 7.190 1.637 1.00 0.00 C ATOM 210 CG TRP A 16 -8.067 7.948 2.494 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.271 9.039 3.244 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.671 7.623 2.661 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.114 9.441 3.879 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.109 8.552 3.513 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.907 6.580 2.110 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.761 8.531 3.890 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.561 6.572 2.496 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.981 7.500 3.353 1.00 0.00 C ATOM 0 H TRP A 16 -10.557 5.643 0.381 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.163 5.306 1.803 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.822 7.315 0.586 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.067 7.638 1.776 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.222 9.541 3.340 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -7.014 10.242 4.502 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.325 5.842 1.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.345 9.270 4.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.930 5.790 2.100 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.933 7.426 3.604 1.00 0.00 H new ATOM 229 N SER A 17 -10.907 5.399 3.597 1.00 0.00 N ATOM 230 CA SER A 17 -11.456 5.143 4.918 1.00 0.00 C ATOM 231 C SER A 17 -10.883 3.840 5.479 1.00 0.00 C ATOM 232 O SER A 17 -10.578 3.752 6.667 1.00 0.00 O ATOM 233 CB SER A 17 -12.984 5.076 4.876 1.00 0.00 C ATOM 234 OG SER A 17 -13.570 6.366 4.728 1.00 0.00 O ATOM 0 H SER A 17 -11.603 5.562 2.870 1.00 0.00 H new ATOM 0 HA SER A 17 -11.173 5.968 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.297 4.439 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.352 4.613 5.792 1.00 0.00 H new ATOM 0 HG SER A 17 -14.546 6.281 4.704 1.00 0.00 H new ATOM 240 N GLU A 18 -10.754 2.859 4.597 1.00 0.00 N ATOM 241 CA GLU A 18 -10.223 1.565 4.989 1.00 0.00 C ATOM 242 C GLU A 18 -8.721 1.668 5.261 1.00 0.00 C ATOM 243 O GLU A 18 -8.221 1.094 6.227 1.00 0.00 O ATOM 244 CB GLU A 18 -10.516 0.506 3.924 1.00 0.00 C ATOM 245 CG GLU A 18 -9.625 -0.723 4.113 1.00 0.00 C ATOM 246 CD GLU A 18 -9.940 -1.431 5.432 1.00 0.00 C ATOM 247 OE1 GLU A 18 -10.893 -2.240 5.429 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.220 -1.148 6.414 1.00 0.00 O ATOM 0 H GLU A 18 -11.008 2.935 3.612 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.719 1.254 5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.564 0.211 3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.354 0.928 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.770 -1.413 3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.577 -0.423 4.098 1.00 0.00 H new ATOM 255 N ILE A 19 -8.043 2.403 4.392 1.00 0.00 N ATOM 256 CA ILE A 19 -6.608 2.588 4.526 1.00 0.00 C ATOM 257 C ILE A 19 -6.317 3.375 5.806 1.00 0.00 C ATOM 258 O ILE A 19 -5.287 3.168 6.445 1.00 0.00 O ATOM 259 CB ILE A 19 -6.030 3.231 3.264 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.529 2.516 2.007 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.502 3.285 3.326 1.00 0.00 C ATOM 262 CD1 ILE A 19 -5.982 1.089 1.935 1.00 0.00 C ATOM 0 H ILE A 19 -8.461 2.878 3.592 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.107 1.625 4.622 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.386 4.260 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.619 2.492 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.222 3.072 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.117 3.747 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.193 3.873 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.106 2.274 3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.352 0.603 1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.893 1.118 1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.311 0.528 2.810 1.00 0.00 H new ATOM 274 N ARG A 20 -7.244 4.260 6.141 1.00 0.00 N ATOM 275 CA ARG A 20 -7.100 5.079 7.333 1.00 0.00 C ATOM 276 C ARG A 20 -7.298 4.228 8.589 1.00 0.00 C ATOM 277 O ARG A 20 -6.781 4.558 9.655 1.00 0.00 O ATOM 278 CB ARG A 20 -8.112 6.227 7.338 1.00 0.00 C ATOM 279 CG ARG A 20 -7.734 7.296 6.312 1.00 0.00 C ATOM 280 CD ARG A 20 -8.245 8.673 6.741 1.00 0.00 C ATOM 281 NE ARG A 20 -9.725 8.697 6.707 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.468 9.746 7.084 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.875 10.863 7.526 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.805 9.677 7.020 1.00 0.00 N ATOM 0 H ARG A 20 -8.097 4.428 5.608 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.093 5.497 7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.107 5.840 7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.158 6.672 8.332 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.651 7.326 6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.152 7.036 5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.892 8.904 7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.845 9.441 6.079 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.209 7.863 6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.858 10.915 7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.441 11.662 7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.256 8.826 6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.371 10.475 7.307 1.00 0.00 H new ATOM 298 N SER A 21 -8.048 3.148 8.421 1.00 0.00 N ATOM 299 CA SER A 21 -8.320 2.247 9.528 1.00 0.00 C ATOM 300 C SER A 21 -7.128 1.314 9.748 1.00 0.00 C ATOM 301 O SER A 21 -6.672 1.139 10.877 1.00 0.00 O ATOM 302 CB SER A 21 -9.592 1.434 9.276 1.00 0.00 C ATOM 303 OG SER A 21 -10.557 1.620 10.308 1.00 0.00 O ATOM 0 H SER A 21 -8.475 2.877 7.535 1.00 0.00 H new ATOM 0 HA SER A 21 -8.475 2.845 10.426 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.024 1.725 8.319 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.338 0.376 9.203 1.00 0.00 H new ATOM 0 HG SER A 21 -11.355 1.086 10.110 1.00 0.00 H new ATOM 309 N ARG A 22 -6.657 0.738 8.652 1.00 0.00 N ATOM 310 CA ARG A 22 -5.527 -0.173 8.711 1.00 0.00 C ATOM 311 C ARG A 22 -4.396 0.438 9.540 1.00 0.00 C ATOM 312 O ARG A 22 -3.719 -0.267 10.287 1.00 0.00 O ATOM 313 CB ARG A 22 -5.006 -0.496 7.309 1.00 0.00 C ATOM 314 CG ARG A 22 -6.063 -1.239 6.489 1.00 0.00 C ATOM 315 CD ARG A 22 -6.257 -2.665 7.008 1.00 0.00 C ATOM 316 NE ARG A 22 -7.112 -3.431 6.074 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.236 -4.765 6.091 1.00 0.00 C ATOM 318 NH1 ARG A 22 -6.560 -5.489 6.994 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.035 -5.376 5.206 1.00 0.00 N ATOM 0 H ARG A 22 -7.038 0.885 7.717 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.869 -1.096 9.180 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.727 0.426 6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.104 -1.104 7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.009 -0.700 6.535 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.762 -1.267 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.290 -3.157 7.115 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.714 -2.642 7.997 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.640 -2.911 5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.951 -5.024 7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.654 -6.505 7.007 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.550 -4.826 4.518 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.129 -6.392 5.220 1.00 0.00 H new ATOM 333 N ALA A 23 -4.225 1.742 9.380 1.00 0.00 N ATOM 334 CA ALA A 23 -3.188 2.455 10.105 1.00 0.00 C ATOM 335 C ALA A 23 -3.633 2.661 11.554 1.00 0.00 C ATOM 336 O ALA A 23 -2.875 2.389 12.484 1.00 0.00 O ATOM 337 CB ALA A 23 -2.885 3.776 9.395 1.00 0.00 C ATOM 0 H ALA A 23 -4.788 2.323 8.759 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.265 1.875 10.123 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.107 4.311 9.939 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.544 3.574 8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.788 4.386 9.360 1.00 0.00 H new ATOM 343 N HIS A 24 -4.859 3.140 11.701 1.00 0.00 N ATOM 344 CA HIS A 24 -5.414 3.385 13.021 1.00 0.00 C ATOM 345 C HIS A 24 -5.265 2.129 13.882 1.00 0.00 C ATOM 346 O HIS A 24 -4.838 2.208 15.033 1.00 0.00 O ATOM 347 CB HIS A 24 -6.863 3.866 12.920 1.00 0.00 C ATOM 348 CG HIS A 24 -7.183 5.044 13.810 1.00 0.00 C ATOM 349 ND1 HIS A 24 -7.745 4.903 15.067 1.00 0.00 N ATOM 350 CD2 HIS A 24 -7.012 6.382 13.612 1.00 0.00 C ATOM 351 CE1 HIS A 24 -7.902 6.110 15.592 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.447 7.025 14.688 1.00 0.00 N ATOM 0 H HIS A 24 -5.484 3.365 10.927 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.859 4.186 13.510 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.074 4.138 11.886 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.528 3.040 13.174 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.593 6.841 12.729 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.317 6.330 16.564 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.442 8.037 14.818 1.00 0.00 H new ATOM 360 N ASN A 25 -5.625 0.999 13.291 1.00 0.00 N ATOM 361 CA ASN A 25 -5.536 -0.272 13.989 1.00 0.00 C ATOM 362 C ASN A 25 -4.064 -0.630 14.203 1.00 0.00 C ATOM 363 O ASN A 25 -3.718 -1.293 15.180 1.00 0.00 O ATOM 364 CB ASN A 25 -6.181 -1.394 13.174 1.00 0.00 C ATOM 365 CG ASN A 25 -7.308 -2.066 13.962 1.00 0.00 C ATOM 366 OD1 ASN A 25 -7.425 -1.927 15.169 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.128 -2.799 13.215 1.00 0.00 N ATOM 0 H ASN A 25 -5.979 0.937 12.336 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.058 -0.171 14.941 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.575 -0.991 12.241 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.427 -2.135 12.908 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.912 -3.287 13.647 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.973 -2.873 12.210 1.00 0.00 H new ATOM 374 N LEU A 26 -3.236 -0.175 13.274 1.00 0.00 N ATOM 375 CA LEU A 26 -1.809 -0.439 13.348 1.00 0.00 C ATOM 376 C LEU A 26 -1.148 0.607 14.248 1.00 0.00 C ATOM 377 O LEU A 26 0.043 0.516 14.540 1.00 0.00 O ATOM 378 CB LEU A 26 -1.204 -0.513 11.945 1.00 0.00 C ATOM 379 CG LEU A 26 -1.505 -1.786 11.152 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.058 -1.644 9.696 1.00 0.00 C ATOM 381 CD2 LEU A 26 -0.883 -3.012 11.825 1.00 0.00 C ATOM 0 H LEU A 26 -3.526 0.375 12.466 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.625 -1.413 13.801 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.561 0.342 11.371 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.122 -0.409 12.031 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.585 -1.936 11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.284 -2.563 9.155 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.587 -0.811 9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.015 -1.457 9.661 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.112 -3.903 11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.198 -2.885 11.885 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.291 -3.122 12.830 1.00 0.00 H new ATOM 393 N SER A 27 -1.950 1.577 14.663 1.00 0.00 N ATOM 394 CA SER A 27 -1.458 2.639 15.524 1.00 0.00 C ATOM 395 C SER A 27 -0.490 3.535 14.748 1.00 0.00 C ATOM 396 O SER A 27 0.614 3.812 15.215 1.00 0.00 O ATOM 397 CB SER A 27 -0.772 2.067 16.767 1.00 0.00 C ATOM 398 OG SER A 27 -1.575 1.085 17.415 1.00 0.00 O ATOM 0 H SER A 27 -2.938 1.649 14.419 1.00 0.00 H new ATOM 0 HA SER A 27 -2.309 3.234 15.854 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.183 1.625 16.483 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.554 2.875 17.465 1.00 0.00 H new ATOM 0 HG SER A 27 -1.102 0.743 18.202 1.00 0.00 H new ATOM 404 N VAL A 28 -0.939 3.962 13.577 1.00 0.00 N ATOM 405 CA VAL A 28 -0.127 4.821 12.733 1.00 0.00 C ATOM 406 C VAL A 28 -1.035 5.795 11.980 1.00 0.00 C ATOM 407 O VAL A 28 -2.209 5.507 11.755 1.00 0.00 O ATOM 408 CB VAL A 28 0.740 3.971 11.802 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.974 3.439 12.535 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.071 2.826 11.191 1.00 0.00 C ATOM 0 H VAL A 28 -1.855 3.729 13.193 1.00 0.00 H new ATOM 0 HA VAL A 28 0.556 5.416 13.339 1.00 0.00 H new ATOM 0 HB VAL A 28 1.083 4.610 10.988 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.573 2.838 11.851 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.570 4.276 12.899 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.659 2.823 13.378 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.569 2.237 10.533 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.458 2.189 11.987 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.903 3.235 10.617 1.00 0.00 H new ATOM 420 N GLU A 29 -0.457 6.929 11.611 1.00 0.00 N ATOM 421 CA GLU A 29 -1.199 7.947 10.888 1.00 0.00 C ATOM 422 C GLU A 29 -0.623 8.126 9.482 1.00 0.00 C ATOM 423 O GLU A 29 0.590 8.063 9.292 1.00 0.00 O ATOM 424 CB GLU A 29 -1.200 9.272 11.653 1.00 0.00 C ATOM 425 CG GLU A 29 -2.621 9.822 11.795 1.00 0.00 C ATOM 426 CD GLU A 29 -2.600 11.317 12.123 1.00 0.00 C ATOM 427 OE1 GLU A 29 -1.821 12.033 11.458 1.00 0.00 O ATOM 428 OE2 GLU A 29 -3.364 11.709 13.032 1.00 0.00 O ATOM 0 H GLU A 29 0.517 7.165 11.800 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.234 7.618 10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.762 9.126 12.641 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.576 9.998 11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.173 9.657 10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.147 9.281 12.581 1.00 0.00 H new ATOM 435 N ILE A 30 -1.521 8.347 8.533 1.00 0.00 N ATOM 436 CA ILE A 30 -1.117 8.536 7.150 1.00 0.00 C ATOM 437 C ILE A 30 -2.015 9.590 6.501 1.00 0.00 C ATOM 438 O ILE A 30 -3.088 9.901 7.016 1.00 0.00 O ATOM 439 CB ILE A 30 -1.105 7.198 6.408 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.503 6.577 6.374 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.070 6.246 7.011 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.470 5.187 5.735 1.00 0.00 C ATOM 0 H ILE A 30 -2.527 8.399 8.695 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.095 8.912 7.100 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.810 7.383 5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.898 6.506 7.387 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.178 7.223 5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.082 5.303 6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.921 6.694 6.940 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.311 6.063 8.058 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.476 4.768 5.723 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.097 5.265 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.813 4.537 6.312 1.00 0.00 H new ATOM 454 N LYS A 31 -1.543 10.113 5.378 1.00 0.00 N ATOM 455 CA LYS A 31 -2.290 11.127 4.653 1.00 0.00 C ATOM 456 C LYS A 31 -2.728 10.561 3.301 1.00 0.00 C ATOM 457 O LYS A 31 -2.234 9.521 2.869 1.00 0.00 O ATOM 458 CB LYS A 31 -1.476 12.417 4.545 1.00 0.00 C ATOM 459 CG LYS A 31 -1.784 13.359 5.711 1.00 0.00 C ATOM 460 CD LYS A 31 -2.091 14.771 5.208 1.00 0.00 C ATOM 461 CE LYS A 31 -3.512 14.856 4.646 1.00 0.00 C ATOM 462 NZ LYS A 31 -3.801 16.228 4.172 1.00 0.00 N ATOM 0 H LYS A 31 -0.653 9.853 4.953 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.196 11.394 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.412 12.180 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.700 12.915 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.634 12.978 6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.935 13.389 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.975 15.485 6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.374 15.050 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.627 14.149 3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.231 14.571 5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.769 16.268 3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.711 16.895 4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.126 16.486 3.424 1.00 0.00 H new ATOM 476 N LYS A 32 -3.652 11.271 2.669 1.00 0.00 N ATOM 477 CA LYS A 32 -4.162 10.853 1.375 1.00 0.00 C ATOM 478 C LYS A 32 -3.356 11.537 0.269 1.00 0.00 C ATOM 479 O LYS A 32 -3.449 11.156 -0.897 1.00 0.00 O ATOM 480 CB LYS A 32 -5.669 11.107 1.285 1.00 0.00 C ATOM 481 CG LYS A 32 -6.231 10.608 -0.047 1.00 0.00 C ATOM 482 CD LYS A 32 -7.712 10.249 0.083 1.00 0.00 C ATOM 483 CE LYS A 32 -8.600 11.421 -0.339 1.00 0.00 C ATOM 484 NZ LYS A 32 -8.144 11.977 -1.633 1.00 0.00 N ATOM 0 H LYS A 32 -4.060 12.133 3.030 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.035 9.778 1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.176 10.604 2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.869 12.173 1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.105 11.376 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.669 9.735 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.934 9.379 -0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.934 9.973 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.635 11.089 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.576 12.197 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.960 12.357 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.457 12.739 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.694 11.226 -2.194 1.00 0.00 H new ATOM 498 N GLY A 33 -2.584 12.534 0.673 1.00 0.00 N ATOM 499 CA GLY A 33 -1.762 13.274 -0.269 1.00 0.00 C ATOM 500 C GLY A 33 -0.470 12.517 -0.582 1.00 0.00 C ATOM 501 O GLY A 33 -0.120 12.333 -1.747 1.00 0.00 O ATOM 0 H GLY A 33 -2.510 12.847 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.321 13.443 -1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.523 14.254 0.144 1.00 0.00 H new ATOM 505 N PRO A 34 0.223 12.088 0.507 1.00 0.00 N ATOM 506 CA PRO A 34 1.469 11.355 0.360 1.00 0.00 C ATOM 507 C PRO A 34 1.209 9.915 -0.085 1.00 0.00 C ATOM 508 O PRO A 34 1.961 9.364 -0.888 1.00 0.00 O ATOM 509 CB PRO A 34 2.140 11.444 1.721 1.00 0.00 C ATOM 510 CG PRO A 34 1.043 11.820 2.703 1.00 0.00 C ATOM 511 CD PRO A 34 -0.160 12.288 1.901 1.00 0.00 C ATOM 0 HA PRO A 34 2.113 11.771 -0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.599 10.493 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.934 12.191 1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.778 10.965 3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.385 12.608 3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.052 11.714 2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.388 13.335 2.103 1.00 0.00 H new ATOM 519 N TRP A 35 0.142 9.346 0.456 1.00 0.00 N ATOM 520 CA TRP A 35 -0.226 7.980 0.124 1.00 0.00 C ATOM 521 C TRP A 35 -0.219 7.845 -1.399 1.00 0.00 C ATOM 522 O TRP A 35 0.228 6.831 -1.934 1.00 0.00 O ATOM 523 CB TRP A 35 -1.572 7.607 0.751 1.00 0.00 C ATOM 524 CG TRP A 35 -2.148 6.283 0.247 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.888 6.069 -0.850 1.00 0.00 C ATOM 526 CD2 TRP A 35 -2.000 4.989 0.868 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.226 4.737 -0.980 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.669 4.060 0.098 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.323 4.616 2.043 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.727 2.698 0.418 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.390 3.251 2.348 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.060 2.303 1.584 1.00 0.00 C ATOM 0 H TRP A 35 -0.479 9.806 1.122 1.00 0.00 H new ATOM 0 HA TRP A 35 0.494 7.275 0.539 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.454 7.551 1.833 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.288 8.403 0.549 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.183 6.842 -1.545 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.782 4.325 -1.729 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.793 5.326 2.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.258 1.990 -0.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.885 2.911 3.240 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.066 1.267 1.888 1.00 0.00 H new ATOM 543 N ARG A 36 -0.719 8.881 -2.056 1.00 0.00 N ATOM 544 CA ARG A 36 -0.775 8.891 -3.508 1.00 0.00 C ATOM 545 C ARG A 36 0.611 9.178 -4.091 1.00 0.00 C ATOM 546 O ARG A 36 1.077 8.460 -4.974 1.00 0.00 O ATOM 547 CB ARG A 36 -1.762 9.945 -4.014 1.00 0.00 C ATOM 548 CG ARG A 36 -2.316 9.562 -5.388 1.00 0.00 C ATOM 549 CD ARG A 36 -3.777 9.118 -5.285 1.00 0.00 C ATOM 550 NE ARG A 36 -4.613 9.910 -6.216 1.00 0.00 N ATOM 551 CZ ARG A 36 -5.083 11.135 -5.946 1.00 0.00 C ATOM 552 NH1 ARG A 36 -4.802 11.717 -4.772 1.00 0.00 N ATOM 553 NH2 ARG A 36 -5.834 11.779 -6.850 1.00 0.00 N ATOM 0 H ARG A 36 -1.089 9.720 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.113 7.907 -3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.582 10.051 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.266 10.914 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.237 10.412 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.717 8.758 -5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.861 8.057 -5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.134 9.247 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.845 9.497 -7.119 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.230 11.227 -4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.160 12.650 -4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.048 11.336 -7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.192 12.712 -6.644 1.00 0.00 H new ATOM 567 N THR A 37 1.229 10.229 -3.573 1.00 0.00 N ATOM 568 CA THR A 37 2.551 10.620 -4.032 1.00 0.00 C ATOM 569 C THR A 37 3.522 9.441 -3.928 1.00 0.00 C ATOM 570 O THR A 37 4.200 9.103 -4.897 1.00 0.00 O ATOM 571 CB THR A 37 2.991 11.841 -3.222 1.00 0.00 C ATOM 572 OG1 THR A 37 2.209 12.908 -3.752 1.00 0.00 O ATOM 573 CG2 THR A 37 4.434 12.253 -3.520 1.00 0.00 C ATOM 0 H THR A 37 0.839 10.822 -2.840 1.00 0.00 H new ATOM 0 HA THR A 37 2.537 10.898 -5.086 1.00 0.00 H new ATOM 0 HB THR A 37 2.887 11.628 -2.158 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.357 12.959 -3.271 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.695 13.124 -2.919 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.105 11.429 -3.276 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.531 12.499 -4.577 1.00 0.00 H new ATOM 581 N PHE A 38 3.556 8.847 -2.744 1.00 0.00 N ATOM 582 CA PHE A 38 4.432 7.714 -2.501 1.00 0.00 C ATOM 583 C PHE A 38 4.173 6.594 -3.511 1.00 0.00 C ATOM 584 O PHE A 38 5.090 5.860 -3.878 1.00 0.00 O ATOM 585 CB PHE A 38 4.117 7.198 -1.095 1.00 0.00 C ATOM 586 CG PHE A 38 4.700 8.058 0.028 1.00 0.00 C ATOM 587 CD1 PHE A 38 5.960 8.559 -0.083 1.00 0.00 C ATOM 588 CD2 PHE A 38 3.959 8.322 1.138 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.501 9.357 0.960 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.500 9.120 2.180 1.00 0.00 C ATOM 591 CZ PHE A 38 5.760 9.621 2.069 1.00 0.00 C ATOM 0 H PHE A 38 2.991 9.129 -1.943 1.00 0.00 H new ATOM 0 HA PHE A 38 5.473 8.022 -2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.035 7.144 -0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.500 6.182 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.549 8.350 -0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.959 7.924 1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.501 9.754 0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.911 9.329 3.061 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.172 10.228 2.862 1.00 0.00 H new ATOM 601 N CYS A 39 2.921 6.499 -3.933 1.00 0.00 N ATOM 602 CA CYS A 39 2.530 5.482 -4.893 1.00 0.00 C ATOM 603 C CYS A 39 2.427 6.137 -6.272 1.00 0.00 C ATOM 604 O CYS A 39 1.889 5.545 -7.206 1.00 0.00 O ATOM 605 CB CYS A 39 1.225 4.794 -4.489 1.00 0.00 C ATOM 606 SG CYS A 39 1.061 3.196 -5.367 1.00 0.00 S ATOM 0 H CYS A 39 2.164 7.110 -3.627 1.00 0.00 H new ATOM 0 HA CYS A 39 3.284 4.696 -4.921 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.210 4.629 -3.412 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.377 5.437 -4.725 1.00 0.00 H new ATOM 0 HG CYS A 39 1.350 3.360 -6.624 1.00 0.00 H new ATOM 612 N ALA A 40 2.951 7.351 -6.355 1.00 0.00 N ATOM 613 CA ALA A 40 2.924 8.093 -7.604 1.00 0.00 C ATOM 614 C ALA A 40 4.242 7.875 -8.350 1.00 0.00 C ATOM 615 O ALA A 40 4.244 7.439 -9.500 1.00 0.00 O ATOM 616 CB ALA A 40 2.657 9.572 -7.314 1.00 0.00 C ATOM 0 H ALA A 40 3.397 7.839 -5.578 1.00 0.00 H new ATOM 0 HA ALA A 40 2.118 7.735 -8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.637 10.129 -8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.697 9.676 -6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.447 9.966 -6.675 1.00 0.00 H new ATOM 622 N SER A 41 5.332 8.189 -7.665 1.00 0.00 N ATOM 623 CA SER A 41 6.654 8.033 -8.249 1.00 0.00 C ATOM 624 C SER A 41 7.708 7.953 -7.143 1.00 0.00 C ATOM 625 O SER A 41 8.795 8.513 -7.275 1.00 0.00 O ATOM 626 CB SER A 41 6.973 9.184 -9.205 1.00 0.00 C ATOM 627 OG SER A 41 7.660 8.735 -10.370 1.00 0.00 O ATOM 0 H SER A 41 5.327 8.551 -6.711 1.00 0.00 H new ATOM 0 HA SER A 41 6.668 7.106 -8.823 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.047 9.679 -9.498 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.582 9.926 -8.689 1.00 0.00 H new ATOM 0 HG SER A 41 7.844 9.499 -10.956 1.00 0.00 H new ATOM 633 N GLU A 42 7.350 7.251 -6.078 1.00 0.00 N ATOM 634 CA GLU A 42 8.251 7.090 -4.950 1.00 0.00 C ATOM 635 C GLU A 42 8.619 5.616 -4.770 1.00 0.00 C ATOM 636 O GLU A 42 9.796 5.274 -4.666 1.00 0.00 O ATOM 637 CB GLU A 42 7.637 7.662 -3.671 1.00 0.00 C ATOM 638 CG GLU A 42 8.718 7.967 -2.632 1.00 0.00 C ATOM 639 CD GLU A 42 9.151 9.432 -2.705 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.259 10.277 -2.934 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.365 9.674 -2.531 1.00 0.00 O ATOM 0 H GLU A 42 6.448 6.787 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 42 9.163 7.649 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.085 8.572 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.921 6.952 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.341 7.745 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.580 7.321 -2.798 1.00 0.00 H new ATOM 648 N TRP A 43 7.589 4.782 -4.739 1.00 0.00 N ATOM 649 CA TRP A 43 7.789 3.352 -4.573 1.00 0.00 C ATOM 650 C TRP A 43 8.291 2.788 -5.904 1.00 0.00 C ATOM 651 O TRP A 43 9.223 1.985 -5.930 1.00 0.00 O ATOM 652 CB TRP A 43 6.510 2.673 -4.080 1.00 0.00 C ATOM 653 CG TRP A 43 6.205 2.919 -2.601 1.00 0.00 C ATOM 654 CD1 TRP A 43 7.056 3.286 -1.633 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.919 2.800 -1.957 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.416 3.412 -0.417 1.00 0.00 N ATOM 657 CE2 TRP A 43 5.075 3.106 -0.620 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.666 2.444 -2.486 1.00 0.00 C ATOM 659 CZ2 TRP A 43 4.019 3.089 0.298 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.621 2.431 -1.555 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.761 2.738 -0.206 1.00 0.00 C ATOM 0 H TRP A 43 6.614 5.069 -4.826 1.00 0.00 H new ATOM 0 HA TRP A 43 8.537 3.153 -3.806 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.670 3.027 -4.677 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.592 1.599 -4.250 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.111 3.461 -1.786 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.847 3.680 0.468 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.521 2.200 -3.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.167 3.334 1.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.636 2.164 -1.909 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.903 2.706 0.450 1.00 0.00 H new ATOM 672 N PRO A 44 7.634 3.241 -7.005 1.00 0.00 N ATOM 673 CA PRO A 44 8.004 2.790 -8.336 1.00 0.00 C ATOM 674 C PRO A 44 9.304 3.451 -8.797 1.00 0.00 C ATOM 675 O PRO A 44 9.762 3.215 -9.914 1.00 0.00 O ATOM 676 CB PRO A 44 6.814 3.142 -9.215 1.00 0.00 C ATOM 677 CG PRO A 44 6.023 4.188 -8.446 1.00 0.00 C ATOM 678 CD PRO A 44 6.526 4.192 -7.012 1.00 0.00 C ATOM 0 HA PRO A 44 8.210 1.720 -8.376 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.142 3.531 -10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.204 2.262 -9.417 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.151 5.172 -8.898 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.958 3.959 -8.476 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.856 5.186 -6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.742 3.892 -6.317 1.00 0.00 H new ATOM 686 N THR A 45 9.862 4.266 -7.914 1.00 0.00 N ATOM 687 CA THR A 45 11.100 4.963 -8.217 1.00 0.00 C ATOM 688 C THR A 45 12.233 4.448 -7.327 1.00 0.00 C ATOM 689 O THR A 45 13.275 5.091 -7.207 1.00 0.00 O ATOM 690 CB THR A 45 10.847 6.465 -8.069 1.00 0.00 C ATOM 691 OG1 THR A 45 10.074 6.570 -6.876 1.00 0.00 O ATOM 692 CG2 THR A 45 9.925 7.013 -9.159 1.00 0.00 C ATOM 0 H THR A 45 9.479 4.459 -6.988 1.00 0.00 H new ATOM 0 HA THR A 45 11.420 4.772 -9.241 1.00 0.00 H new ATOM 0 HB THR A 45 11.797 6.998 -8.096 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.427 5.952 -6.202 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.778 8.082 -9.008 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.376 6.843 -10.137 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.962 6.504 -9.111 1.00 0.00 H new ATOM 700 N PHE A 46 11.991 3.292 -6.725 1.00 0.00 N ATOM 701 CA PHE A 46 12.978 2.683 -5.850 1.00 0.00 C ATOM 702 C PHE A 46 13.802 1.634 -6.598 1.00 0.00 C ATOM 703 O PHE A 46 14.895 1.272 -6.165 1.00 0.00 O ATOM 704 CB PHE A 46 12.210 1.999 -4.717 1.00 0.00 C ATOM 705 CG PHE A 46 11.786 2.945 -3.592 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.934 4.289 -3.742 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.262 2.443 -2.442 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.540 5.167 -2.698 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.869 3.321 -1.398 1.00 0.00 C ATOM 710 CZ PHE A 46 11.016 4.665 -1.548 1.00 0.00 C ATOM 0 H PHE A 46 11.126 2.762 -6.826 1.00 0.00 H new ATOM 0 HA PHE A 46 13.663 3.444 -5.476 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.322 1.522 -5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.831 1.207 -4.297 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.351 4.688 -4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.145 1.376 -2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.657 6.234 -2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.453 2.922 -0.485 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.717 5.333 -0.754 1.00 0.00 H new ATOM 720 N ASP A 47 13.245 1.173 -7.709 1.00 0.00 N ATOM 721 CA ASP A 47 13.914 0.172 -8.522 1.00 0.00 C ATOM 722 C ASP A 47 13.817 -1.189 -7.831 1.00 0.00 C ATOM 723 O ASP A 47 14.693 -1.557 -7.050 1.00 0.00 O ATOM 724 CB ASP A 47 15.397 0.507 -8.699 1.00 0.00 C ATOM 725 CG ASP A 47 16.053 -0.100 -9.941 1.00 0.00 C ATOM 726 OD1 ASP A 47 15.291 -0.510 -10.842 1.00 0.00 O ATOM 727 OD2 ASP A 47 17.302 -0.139 -9.960 1.00 0.00 O ATOM 0 H ASP A 47 12.338 1.475 -8.065 1.00 0.00 H new ATOM 0 HA ASP A 47 13.429 0.152 -9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.507 1.591 -8.741 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.939 0.166 -7.817 1.00 0.00 H new ATOM 732 N VAL A 48 12.743 -1.900 -8.142 1.00 0.00 N ATOM 733 CA VAL A 48 12.519 -3.212 -7.561 1.00 0.00 C ATOM 734 C VAL A 48 11.502 -3.976 -8.411 1.00 0.00 C ATOM 735 O VAL A 48 11.692 -5.156 -8.702 1.00 0.00 O ATOM 736 CB VAL A 48 12.090 -3.070 -6.099 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.284 -2.722 -5.208 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.976 -2.031 -5.953 1.00 0.00 C ATOM 0 H VAL A 48 12.018 -1.591 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 48 13.442 -3.792 -7.561 1.00 0.00 H new ATOM 0 HB VAL A 48 11.696 -4.032 -5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.951 -2.627 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.032 -3.512 -5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.721 -1.779 -5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.690 -1.950 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.332 -1.064 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.112 -2.339 -6.542 1.00 0.00 H new ATOM 748 N GLY A 49 10.444 -3.271 -8.786 1.00 0.00 N ATOM 749 CA GLY A 49 9.397 -3.868 -9.597 1.00 0.00 C ATOM 750 C GLY A 49 8.013 -3.434 -9.111 1.00 0.00 C ATOM 751 O GLY A 49 7.085 -4.240 -9.067 1.00 0.00 O ATOM 0 H GLY A 49 10.290 -2.292 -8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.528 -3.577 -10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.476 -4.954 -9.557 1.00 0.00 H new ATOM 755 N TRP A 50 7.917 -2.160 -8.759 1.00 0.00 N ATOM 756 CA TRP A 50 6.661 -1.609 -8.278 1.00 0.00 C ATOM 757 C TRP A 50 6.066 -0.746 -9.392 1.00 0.00 C ATOM 758 O TRP A 50 6.704 0.193 -9.864 1.00 0.00 O ATOM 759 CB TRP A 50 6.865 -0.840 -6.971 1.00 0.00 C ATOM 760 CG TRP A 50 5.612 -0.118 -6.472 1.00 0.00 C ATOM 761 CD1 TRP A 50 5.135 1.072 -6.861 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.689 -0.593 -5.469 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.977 1.399 -6.184 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.697 0.354 -5.311 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.691 -1.782 -4.719 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.635 0.209 -4.410 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.623 -1.912 -3.823 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.617 -0.968 -3.653 1.00 0.00 C ATOM 0 H TRP A 50 8.688 -1.494 -8.797 1.00 0.00 H new ATOM 0 HA TRP A 50 5.956 -2.406 -8.040 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.202 -1.535 -6.202 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.661 -0.109 -7.112 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.598 1.697 -7.610 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.428 2.250 -6.303 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.457 -2.536 -4.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.871 0.965 -4.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.578 -2.808 -3.222 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.825 -1.142 -2.940 1.00 0.00 H new ATOM 779 N PRO A 51 4.816 -1.106 -9.792 1.00 0.00 N ATOM 780 CA PRO A 51 4.127 -0.375 -10.842 1.00 0.00 C ATOM 781 C PRO A 51 3.613 0.971 -10.327 1.00 0.00 C ATOM 782 O PRO A 51 3.560 1.198 -9.119 1.00 0.00 O ATOM 783 CB PRO A 51 3.012 -1.301 -11.299 1.00 0.00 C ATOM 784 CG PRO A 51 2.828 -2.315 -10.181 1.00 0.00 C ATOM 785 CD PRO A 51 4.029 -2.213 -9.256 1.00 0.00 C ATOM 0 HA PRO A 51 4.781 -0.119 -11.675 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.091 -0.745 -11.478 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.273 -1.795 -12.235 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.907 -2.116 -9.633 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.745 -3.322 -10.589 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.722 -2.020 -8.228 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.603 -3.140 -9.248 1.00 0.00 H new ATOM 793 N PRO A 52 3.238 1.851 -11.294 1.00 0.00 N ATOM 794 CA PRO A 52 2.730 3.168 -10.951 1.00 0.00 C ATOM 795 C PRO A 52 1.296 3.082 -10.423 1.00 0.00 C ATOM 796 O PRO A 52 0.914 3.833 -9.527 1.00 0.00 O ATOM 797 CB PRO A 52 2.844 3.980 -12.231 1.00 0.00 C ATOM 798 CG PRO A 52 2.974 2.967 -13.356 1.00 0.00 C ATOM 799 CD PRO A 52 3.287 1.616 -12.734 1.00 0.00 C ATOM 0 HA PRO A 52 3.293 3.639 -10.145 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.967 4.611 -12.373 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.710 4.641 -12.198 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.050 2.917 -13.933 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.765 3.262 -14.046 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.560 0.862 -13.037 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.268 1.255 -13.043 1.00 0.00 H new ATOM 807 N GLU A 53 0.541 2.160 -11.002 1.00 0.00 N ATOM 808 CA GLU A 53 -0.843 1.967 -10.602 1.00 0.00 C ATOM 809 C GLU A 53 -0.909 1.255 -9.249 1.00 0.00 C ATOM 810 O GLU A 53 -1.945 1.268 -8.587 1.00 0.00 O ATOM 811 CB GLU A 53 -1.619 1.191 -11.668 1.00 0.00 C ATOM 812 CG GLU A 53 -2.025 2.106 -12.825 1.00 0.00 C ATOM 813 CD GLU A 53 -2.887 3.268 -12.327 1.00 0.00 C ATOM 814 OE1 GLU A 53 -3.520 3.091 -11.264 1.00 0.00 O ATOM 815 OE2 GLU A 53 -2.894 4.308 -13.021 1.00 0.00 O ATOM 0 H GLU A 53 0.861 1.538 -11.745 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.311 2.946 -10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.006 0.372 -12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.508 0.745 -11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.133 2.494 -13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.576 1.533 -13.571 1.00 0.00 H new ATOM 822 N GLY A 54 0.210 0.650 -8.879 1.00 0.00 N ATOM 823 CA GLY A 54 0.292 -0.066 -7.617 1.00 0.00 C ATOM 824 C GLY A 54 0.089 -1.568 -7.824 1.00 0.00 C ATOM 825 O GLY A 54 -0.142 -2.018 -8.946 1.00 0.00 O ATOM 0 H GLY A 54 1.068 0.641 -9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.263 0.113 -7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.463 0.315 -6.929 1.00 0.00 H new ATOM 829 N THR A 55 0.182 -2.302 -6.726 1.00 0.00 N ATOM 830 CA THR A 55 0.012 -3.745 -6.773 1.00 0.00 C ATOM 831 C THR A 55 -0.297 -4.291 -5.378 1.00 0.00 C ATOM 832 O THR A 55 0.201 -3.772 -4.380 1.00 0.00 O ATOM 833 CB THR A 55 1.270 -4.349 -7.398 1.00 0.00 C ATOM 834 OG1 THR A 55 0.918 -5.708 -7.643 1.00 0.00 O ATOM 835 CG2 THR A 55 2.431 -4.439 -6.405 1.00 0.00 C ATOM 0 H THR A 55 0.373 -1.925 -5.798 1.00 0.00 H new ATOM 0 HA THR A 55 -0.841 -4.023 -7.392 1.00 0.00 H new ATOM 0 HB THR A 55 1.572 -3.750 -8.257 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.678 -6.174 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.299 -4.875 -6.899 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.681 -3.441 -6.046 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.141 -5.066 -5.562 1.00 0.00 H new ATOM 843 N PHE A 56 -1.117 -5.332 -5.353 1.00 0.00 N ATOM 844 CA PHE A 56 -1.498 -5.954 -4.096 1.00 0.00 C ATOM 845 C PHE A 56 -0.711 -7.245 -3.863 1.00 0.00 C ATOM 846 O PHE A 56 -1.272 -8.248 -3.424 1.00 0.00 O ATOM 847 CB PHE A 56 -2.987 -6.290 -4.197 1.00 0.00 C ATOM 848 CG PHE A 56 -3.913 -5.109 -3.899 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.893 -4.522 -2.672 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.757 -4.646 -4.860 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.752 -3.426 -2.395 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.616 -3.550 -4.583 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.596 -2.963 -3.357 1.00 0.00 C ATOM 0 H PHE A 56 -1.528 -5.760 -6.183 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.289 -5.278 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.198 -6.660 -5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.214 -7.100 -3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.224 -4.890 -1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.774 -5.112 -5.834 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.736 -2.960 -1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.286 -3.183 -5.347 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.250 -2.129 -3.146 1.00 0.00 H new ATOM 863 N ASP A 57 0.577 -7.178 -4.168 1.00 0.00 N ATOM 864 CA ASP A 57 1.447 -8.330 -3.997 1.00 0.00 C ATOM 865 C ASP A 57 2.242 -8.174 -2.700 1.00 0.00 C ATOM 866 O ASP A 57 2.847 -7.130 -2.459 1.00 0.00 O ATOM 867 CB ASP A 57 2.444 -8.443 -5.153 1.00 0.00 C ATOM 868 CG ASP A 57 3.190 -9.776 -5.235 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.213 -10.478 -4.201 1.00 0.00 O ATOM 870 OD2 ASP A 57 3.720 -10.063 -6.330 1.00 0.00 O ATOM 0 H ASP A 57 1.039 -6.345 -4.532 1.00 0.00 H new ATOM 0 HA ASP A 57 0.823 -9.224 -3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.910 -8.284 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.175 -7.640 -5.062 1.00 0.00 H new ATOM 875 N LEU A 58 2.217 -9.228 -1.898 1.00 0.00 N ATOM 876 CA LEU A 58 2.928 -9.222 -0.630 1.00 0.00 C ATOM 877 C LEU A 58 4.432 -9.323 -0.894 1.00 0.00 C ATOM 878 O LEU A 58 5.239 -8.878 -0.080 1.00 0.00 O ATOM 879 CB LEU A 58 2.390 -10.318 0.291 1.00 0.00 C ATOM 880 CG LEU A 58 2.073 -9.892 1.726 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.344 -9.841 2.576 1.00 0.00 C ATOM 882 CD2 LEU A 58 1.314 -8.564 1.749 1.00 0.00 C ATOM 0 H LEU A 58 1.715 -10.093 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 58 2.759 -8.283 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.483 -10.727 -0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.120 -11.127 0.326 1.00 0.00 H new ATOM 0 HG LEU A 58 1.419 -10.644 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.091 -9.536 3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.806 -10.828 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.042 -9.123 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.101 -8.284 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.922 -7.789 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.378 -8.671 1.202 1.00 0.00 H new ATOM 894 N THR A 59 4.762 -9.910 -2.035 1.00 0.00 N ATOM 895 CA THR A 59 6.154 -10.076 -2.416 1.00 0.00 C ATOM 896 C THR A 59 6.757 -8.731 -2.829 1.00 0.00 C ATOM 897 O THR A 59 7.813 -8.342 -2.333 1.00 0.00 O ATOM 898 CB THR A 59 6.220 -11.135 -3.518 1.00 0.00 C ATOM 899 OG1 THR A 59 5.875 -12.348 -2.854 1.00 0.00 O ATOM 900 CG2 THR A 59 7.647 -11.375 -4.014 1.00 0.00 C ATOM 0 H THR A 59 4.089 -10.277 -2.708 1.00 0.00 H new ATOM 0 HA THR A 59 6.756 -10.423 -1.576 1.00 0.00 H new ATOM 0 HB THR A 59 5.592 -10.829 -4.354 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.891 -13.088 -3.496 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.638 -12.135 -4.795 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.053 -10.447 -4.416 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.268 -11.714 -3.185 1.00 0.00 H new ATOM 908 N VAL A 60 6.060 -8.059 -3.732 1.00 0.00 N ATOM 909 CA VAL A 60 6.513 -6.766 -4.217 1.00 0.00 C ATOM 910 C VAL A 60 6.397 -5.735 -3.093 1.00 0.00 C ATOM 911 O VAL A 60 7.269 -4.881 -2.937 1.00 0.00 O ATOM 912 CB VAL A 60 5.730 -6.374 -5.472 1.00 0.00 C ATOM 913 CG1 VAL A 60 6.215 -5.032 -6.024 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.815 -7.469 -6.537 1.00 0.00 C ATOM 0 H VAL A 60 5.184 -8.385 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 60 7.563 -6.813 -4.507 1.00 0.00 H new ATOM 0 HB VAL A 60 4.683 -6.262 -5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.642 -4.777 -6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.077 -4.257 -5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.272 -5.105 -6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.250 -7.164 -7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.858 -7.629 -6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.398 -8.395 -6.141 1.00 0.00 H new ATOM 924 N ILE A 61 5.313 -5.848 -2.339 1.00 0.00 N ATOM 925 CA ILE A 61 5.072 -4.936 -1.234 1.00 0.00 C ATOM 926 C ILE A 61 6.243 -5.011 -0.252 1.00 0.00 C ATOM 927 O ILE A 61 6.766 -3.983 0.175 1.00 0.00 O ATOM 928 CB ILE A 61 3.712 -5.220 -0.593 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.576 -4.646 -1.441 1.00 0.00 C ATOM 930 CG2 ILE A 61 3.668 -4.707 0.848 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.245 -5.323 -1.106 1.00 0.00 C ATOM 0 H ILE A 61 4.592 -6.557 -2.472 1.00 0.00 H new ATOM 0 HA ILE A 61 5.022 -3.908 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 61 3.571 -6.300 -0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.496 -3.573 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.802 -4.783 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.691 -4.921 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.441 -5.203 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.840 -3.631 0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.454 -4.896 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.321 -6.392 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.010 -5.163 -0.054 1.00 0.00 H new ATOM 943 N PHE A 62 6.619 -6.238 0.078 1.00 0.00 N ATOM 944 CA PHE A 62 7.718 -6.461 1.002 1.00 0.00 C ATOM 945 C PHE A 62 9.002 -5.798 0.497 1.00 0.00 C ATOM 946 O PHE A 62 9.808 -5.314 1.289 1.00 0.00 O ATOM 947 CB PHE A 62 7.936 -7.973 1.082 1.00 0.00 C ATOM 948 CG PHE A 62 7.439 -8.605 2.383 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.148 -8.429 2.775 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.286 -9.344 3.149 1.00 0.00 C ATOM 951 CE1 PHE A 62 5.686 -9.016 3.982 1.00 0.00 C ATOM 952 CE2 PHE A 62 7.824 -9.930 4.356 1.00 0.00 C ATOM 953 CZ PHE A 62 6.534 -9.754 4.748 1.00 0.00 C ATOM 0 H PHE A 62 6.182 -7.088 -0.278 1.00 0.00 H new ATOM 0 HA PHE A 62 7.478 -6.033 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.428 -8.448 0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.000 -8.183 0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.475 -7.842 2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.311 -9.485 2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.661 -8.877 4.292 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.497 -10.516 4.964 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.183 -10.200 5.667 1.00 0.00 H new ATOM 963 N GLU A 63 9.152 -5.799 -0.819 1.00 0.00 N ATOM 964 CA GLU A 63 10.323 -5.205 -1.440 1.00 0.00 C ATOM 965 C GLU A 63 10.390 -3.709 -1.124 1.00 0.00 C ATOM 966 O GLU A 63 11.413 -3.216 -0.651 1.00 0.00 O ATOM 967 CB GLU A 63 10.326 -5.447 -2.950 1.00 0.00 C ATOM 968 CG GLU A 63 10.425 -6.940 -3.266 1.00 0.00 C ATOM 969 CD GLU A 63 9.944 -7.232 -4.690 1.00 0.00 C ATOM 970 OE1 GLU A 63 10.261 -6.409 -5.575 1.00 0.00 O ATOM 971 OE2 GLU A 63 9.272 -8.272 -4.859 1.00 0.00 O ATOM 0 H GLU A 63 8.481 -6.202 -1.473 1.00 0.00 H new ATOM 0 HA GLU A 63 11.211 -5.684 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.416 -5.038 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.164 -4.919 -3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.457 -7.272 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.827 -7.507 -2.553 1.00 0.00 H new ATOM 978 N VAL A 64 9.286 -3.029 -1.398 1.00 0.00 N ATOM 979 CA VAL A 64 9.206 -1.600 -1.148 1.00 0.00 C ATOM 980 C VAL A 64 9.295 -1.344 0.357 1.00 0.00 C ATOM 981 O VAL A 64 9.930 -0.383 0.791 1.00 0.00 O ATOM 982 CB VAL A 64 7.934 -1.029 -1.778 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.566 0.315 -1.148 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.083 -0.901 -3.295 1.00 0.00 C ATOM 0 H VAL A 64 8.440 -3.441 -1.791 1.00 0.00 H new ATOM 0 HA VAL A 64 10.044 -1.083 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 64 7.120 -1.726 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.658 0.699 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.397 0.182 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.380 1.024 -1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.165 -0.493 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.915 -0.235 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.275 -1.884 -3.726 1.00 0.00 H new ATOM 994 N LYS A 65 8.649 -2.219 1.114 1.00 0.00 N ATOM 995 CA LYS A 65 8.647 -2.099 2.562 1.00 0.00 C ATOM 996 C LYS A 65 10.072 -2.287 3.086 1.00 0.00 C ATOM 997 O LYS A 65 10.565 -1.468 3.862 1.00 0.00 O ATOM 998 CB LYS A 65 7.633 -3.065 3.178 1.00 0.00 C ATOM 999 CG LYS A 65 7.790 -3.128 4.698 1.00 0.00 C ATOM 1000 CD LYS A 65 7.165 -4.406 5.261 1.00 0.00 C ATOM 1001 CE LYS A 65 7.854 -4.827 6.561 1.00 0.00 C ATOM 1002 NZ LYS A 65 8.340 -6.222 6.461 1.00 0.00 N ATOM 0 H LYS A 65 8.123 -3.014 0.751 1.00 0.00 H new ATOM 0 HA LYS A 65 8.325 -1.102 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.622 -2.746 2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.768 -4.060 2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.847 -3.090 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.318 -2.257 5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.103 -4.245 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.244 -5.208 4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.689 -4.159 6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.157 -4.737 7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.805 -6.492 7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.536 -6.858 6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.021 -6.297 5.678 1.00 0.00 H new ATOM 1016 N ALA A 66 10.694 -3.369 2.643 1.00 0.00 N ATOM 1017 CA ALA A 66 12.053 -3.675 3.058 1.00 0.00 C ATOM 1018 C ALA A 66 12.956 -2.479 2.751 1.00 0.00 C ATOM 1019 O ALA A 66 13.989 -2.294 3.394 1.00 0.00 O ATOM 1020 CB ALA A 66 12.524 -4.955 2.365 1.00 0.00 C ATOM 0 H ALA A 66 10.282 -4.046 2.000 1.00 0.00 H new ATOM 0 HA ALA A 66 12.095 -3.853 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.543 -5.184 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.867 -5.780 2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.498 -4.814 1.284 1.00 0.00 H new ATOM 1026 N ILE A 67 12.536 -1.697 1.767 1.00 0.00 N ATOM 1027 CA ILE A 67 13.294 -0.524 1.367 1.00 0.00 C ATOM 1028 C ILE A 67 13.053 0.602 2.374 1.00 0.00 C ATOM 1029 O ILE A 67 14.001 1.185 2.897 1.00 0.00 O ATOM 1030 CB ILE A 67 12.964 -0.140 -0.077 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.504 -1.181 -1.059 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.469 1.268 -0.398 1.00 0.00 C ATOM 1033 CD1 ILE A 67 12.825 -1.052 -2.424 1.00 0.00 C ATOM 0 H ILE A 67 11.680 -1.853 1.235 1.00 0.00 H new ATOM 0 HA ILE A 67 14.363 -0.738 1.379 1.00 0.00 H new ATOM 0 HB ILE A 67 11.880 -0.126 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.581 -1.056 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.339 -2.182 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.222 1.517 -1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.995 1.986 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.550 1.306 -0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.227 -1.804 -3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.751 -1.202 -2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.012 -0.058 -2.831 1.00 0.00 H new ATOM 1045 N VAL A 68 11.779 0.874 2.615 1.00 0.00 N ATOM 1046 CA VAL A 68 11.401 1.920 3.550 1.00 0.00 C ATOM 1047 C VAL A 68 11.830 1.516 4.962 1.00 0.00 C ATOM 1048 O VAL A 68 12.179 2.369 5.776 1.00 0.00 O ATOM 1049 CB VAL A 68 9.901 2.204 3.439 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.433 2.118 1.985 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.096 1.258 4.332 1.00 0.00 C ATOM 0 H VAL A 68 10.995 0.388 2.179 1.00 0.00 H new ATOM 0 HA VAL A 68 11.914 2.851 3.309 1.00 0.00 H new ATOM 0 HB VAL A 68 9.726 3.222 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.364 2.324 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.973 2.851 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.629 1.118 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.034 1.481 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.280 0.227 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.400 1.391 5.370 1.00 0.00 H new ATOM 1061 N PHE A 69 11.789 0.215 5.208 1.00 0.00 N ATOM 1062 CA PHE A 69 12.169 -0.313 6.508 1.00 0.00 C ATOM 1063 C PHE A 69 13.635 -0.752 6.514 1.00 0.00 C ATOM 1064 O PHE A 69 13.987 -1.745 7.149 1.00 0.00 O ATOM 1065 CB PHE A 69 11.283 -1.532 6.772 1.00 0.00 C ATOM 1066 CG PHE A 69 9.888 -1.186 7.295 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.680 -1.037 8.631 1.00 0.00 C ATOM 1068 CD2 PHE A 69 8.855 -1.027 6.424 1.00 0.00 C ATOM 1069 CE1 PHE A 69 8.385 -0.715 9.116 1.00 0.00 C ATOM 1070 CE2 PHE A 69 7.560 -0.705 6.910 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.352 -0.556 8.246 1.00 0.00 C ATOM 0 H PHE A 69 11.499 -0.489 4.530 1.00 0.00 H new ATOM 0 HA PHE A 69 12.044 0.454 7.272 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.182 -2.102 5.848 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.780 -2.180 7.494 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.500 -1.164 9.323 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.020 -1.146 5.363 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.220 -0.596 10.177 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.740 -0.578 6.219 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.367 -0.312 8.616 1.00 0.00 H new ATOM 1081 N GLN A 70 14.450 0.009 5.799 1.00 0.00 N ATOM 1082 CA GLN A 70 15.870 -0.289 5.714 1.00 0.00 C ATOM 1083 C GLN A 70 16.623 0.385 6.862 1.00 0.00 C ATOM 1084 O GLN A 70 16.008 0.950 7.766 1.00 0.00 O ATOM 1085 CB GLN A 70 16.439 0.139 4.359 1.00 0.00 C ATOM 1086 CG GLN A 70 16.642 1.654 4.303 1.00 0.00 C ATOM 1087 CD GLN A 70 17.161 2.087 2.931 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.341 2.322 2.730 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.216 2.180 2.000 1.00 0.00 N ATOM 0 H GLN A 70 14.155 0.831 5.273 1.00 0.00 H new ATOM 0 HA GLN A 70 16.002 -1.367 5.803 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.389 -0.365 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.762 -0.170 3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.700 2.159 4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.348 1.959 5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.246 1.969 2.235 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.461 2.462 1.051 1.00 0.00 H new ATOM 1149 N HIS A 76 12.292 5.079 5.240 1.00 0.00 N ATOM 1150 CA HIS A 76 11.187 6.021 5.219 1.00 0.00 C ATOM 1151 C HIS A 76 10.201 5.681 6.338 1.00 0.00 C ATOM 1152 O HIS A 76 9.371 4.786 6.189 1.00 0.00 O ATOM 1153 CB HIS A 76 10.528 6.055 3.839 1.00 0.00 C ATOM 1154 CG HIS A 76 11.490 5.845 2.694 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.443 6.782 2.335 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.635 4.798 1.832 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.126 6.309 1.302 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.623 5.080 0.992 1.00 0.00 N ATOM 0 HA HIS A 76 11.560 7.028 5.404 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.756 5.287 3.797 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.029 7.015 3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.046 3.893 1.833 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.938 6.809 0.795 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.952 4.477 0.238 1.00 0.00 H new ATOM 1166 N PRO A 77 10.328 6.433 7.464 1.00 0.00 N ATOM 1167 CA PRO A 77 9.458 6.221 8.609 1.00 0.00 C ATOM 1168 C PRO A 77 8.060 6.786 8.347 1.00 0.00 C ATOM 1169 O PRO A 77 7.135 6.547 9.122 1.00 0.00 O ATOM 1170 CB PRO A 77 10.165 6.899 9.771 1.00 0.00 C ATOM 1171 CG PRO A 77 11.165 7.859 9.148 1.00 0.00 C ATOM 1172 CD PRO A 77 11.299 7.502 7.677 1.00 0.00 C ATOM 0 HA PRO A 77 9.293 5.165 8.823 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.455 7.431 10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.668 6.167 10.403 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.827 8.889 9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.130 7.783 9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.088 8.361 7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.310 7.171 7.441 1.00 0.00 H new ATOM 1180 N ASP A 78 7.951 7.525 7.253 1.00 0.00 N ATOM 1181 CA ASP A 78 6.681 8.126 6.880 1.00 0.00 C ATOM 1182 C ASP A 78 5.879 7.131 6.039 1.00 0.00 C ATOM 1183 O ASP A 78 4.658 7.045 6.170 1.00 0.00 O ATOM 1184 CB ASP A 78 6.895 9.388 6.042 1.00 0.00 C ATOM 1185 CG ASP A 78 7.041 10.681 6.847 1.00 0.00 C ATOM 1186 OD1 ASP A 78 8.129 10.863 7.436 1.00 0.00 O ATOM 1187 OD2 ASP A 78 6.063 11.458 6.856 1.00 0.00 O ATOM 0 H ASP A 78 8.721 7.721 6.613 1.00 0.00 H new ATOM 0 HA ASP A 78 6.149 8.386 7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.789 9.254 5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.055 9.497 5.356 1.00 0.00 H new ATOM 1192 N GLN A 79 6.596 6.404 5.196 1.00 0.00 N ATOM 1193 CA GLN A 79 5.966 5.418 4.334 1.00 0.00 C ATOM 1194 C GLN A 79 5.869 4.070 5.051 1.00 0.00 C ATOM 1195 O GLN A 79 5.111 3.195 4.636 1.00 0.00 O ATOM 1196 CB GLN A 79 6.722 5.283 3.011 1.00 0.00 C ATOM 1197 CG GLN A 79 6.628 6.571 2.191 1.00 0.00 C ATOM 1198 CD GLN A 79 8.009 7.203 2.002 1.00 0.00 C ATOM 1199 OE1 GLN A 79 8.406 8.113 2.711 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.715 6.671 1.008 1.00 0.00 N ATOM 0 H GLN A 79 7.608 6.478 5.091 1.00 0.00 H new ATOM 0 HA GLN A 79 4.956 5.758 4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.768 5.049 3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.312 4.452 2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.187 6.355 1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.966 7.278 2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.322 5.911 0.453 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.649 7.024 0.800 1.00 0.00 H new ATOM 1209 N GLN A 80 6.649 3.945 6.115 1.00 0.00 N ATOM 1210 CA GLN A 80 6.661 2.718 6.893 1.00 0.00 C ATOM 1211 C GLN A 80 5.232 2.285 7.223 1.00 0.00 C ATOM 1212 O GLN A 80 4.869 1.126 7.024 1.00 0.00 O ATOM 1213 CB GLN A 80 7.491 2.886 8.168 1.00 0.00 C ATOM 1214 CG GLN A 80 8.898 2.312 7.986 1.00 0.00 C ATOM 1215 CD GLN A 80 9.801 2.691 9.161 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.349 3.098 10.219 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.099 2.534 8.918 1.00 0.00 N ATOM 0 H GLN A 80 7.277 4.673 6.456 1.00 0.00 H new ATOM 0 HA GLN A 80 7.128 1.936 6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.556 3.943 8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.994 2.384 8.998 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.844 1.227 7.900 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.329 2.684 7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.410 2.189 8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.784 2.759 9.640 1.00 0.00 H new ATOM 1226 N PRO A 81 4.438 3.263 7.735 1.00 0.00 N ATOM 1227 CA PRO A 81 3.056 2.995 8.094 1.00 0.00 C ATOM 1228 C PRO A 81 2.176 2.886 6.847 1.00 0.00 C ATOM 1229 O PRO A 81 1.107 2.279 6.888 1.00 0.00 O ATOM 1230 CB PRO A 81 2.656 4.144 9.005 1.00 0.00 C ATOM 1231 CG PRO A 81 3.667 5.249 8.750 1.00 0.00 C ATOM 1232 CD PRO A 81 4.834 4.646 7.984 1.00 0.00 C ATOM 0 HA PRO A 81 2.932 2.039 8.603 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.644 4.483 8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.669 3.836 10.051 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.212 6.058 8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.009 5.678 9.692 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.014 5.181 7.051 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.756 4.696 8.563 1.00 0.00 H new ATOM 1240 N TYR A 82 2.659 3.483 5.768 1.00 0.00 N ATOM 1241 CA TYR A 82 1.931 3.460 4.511 1.00 0.00 C ATOM 1242 C TYR A 82 2.092 2.111 3.807 1.00 0.00 C ATOM 1243 O TYR A 82 1.107 1.498 3.399 1.00 0.00 O ATOM 1244 CB TYR A 82 2.555 4.553 3.641 1.00 0.00 C ATOM 1245 CG TYR A 82 2.163 5.974 4.051 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.362 6.398 5.349 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.609 6.832 3.122 1.00 0.00 C ATOM 1248 CE1 TYR A 82 1.993 7.736 5.734 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.240 8.169 3.507 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.450 8.555 4.794 1.00 0.00 C ATOM 1251 OH TYR A 82 1.101 9.818 5.158 1.00 0.00 O ATOM 0 H TYR A 82 3.546 3.986 5.738 1.00 0.00 H new ATOM 0 HA TYR A 82 0.866 3.619 4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.640 4.460 3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.260 4.391 2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.794 5.727 6.076 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.452 6.500 2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.144 8.081 6.746 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.806 8.850 2.790 1.00 0.00 H new ATOM 0 HH TYR A 82 1.851 10.426 4.989 1.00 0.00 H new ATOM 1261 N ILE A 83 3.342 1.689 3.687 1.00 0.00 N ATOM 1262 CA ILE A 83 3.645 0.423 3.040 1.00 0.00 C ATOM 1263 C ILE A 83 3.066 -0.722 3.873 1.00 0.00 C ATOM 1264 O ILE A 83 2.598 -1.719 3.324 1.00 0.00 O ATOM 1265 CB ILE A 83 5.148 0.299 2.783 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.446 -0.845 1.812 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.918 0.151 4.097 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.931 -0.521 0.409 1.00 0.00 C ATOM 0 H ILE A 83 4.157 2.201 4.026 1.00 0.00 H new ATOM 0 HA ILE A 83 3.173 0.374 2.059 1.00 0.00 H new ATOM 0 HB ILE A 83 5.491 1.219 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.520 -1.026 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.980 -1.763 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.984 0.065 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.741 1.026 4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.578 -0.743 4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.156 -1.350 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.853 -0.365 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.417 0.383 0.043 1.00 0.00 H new ATOM 1280 N THR A 84 3.117 -0.542 5.184 1.00 0.00 N ATOM 1281 CA THR A 84 2.605 -1.548 6.099 1.00 0.00 C ATOM 1282 C THR A 84 1.139 -1.856 5.785 1.00 0.00 C ATOM 1283 O THR A 84 0.763 -3.019 5.640 1.00 0.00 O ATOM 1284 CB THR A 84 2.827 -1.046 7.527 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.219 -1.249 7.753 1.00 0.00 O ATOM 1286 CG2 THR A 84 2.147 -1.934 8.572 1.00 0.00 C ATOM 0 H THR A 84 3.505 0.286 5.635 1.00 0.00 H new ATOM 0 HA THR A 84 3.136 -2.493 5.985 1.00 0.00 H new ATOM 0 HB THR A 84 2.451 -0.027 7.616 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.730 -0.545 7.301 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.336 -1.533 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.073 -1.956 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.547 -2.946 8.506 1.00 0.00 H new ATOM 1294 N VAL A 85 0.352 -0.795 5.688 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.064 -0.938 5.394 1.00 0.00 C ATOM 1296 C VAL A 85 -1.234 -1.752 4.109 1.00 0.00 C ATOM 1297 O VAL A 85 -2.086 -2.636 4.039 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.725 0.440 5.320 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.078 0.362 4.610 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.871 1.053 6.714 1.00 0.00 C ATOM 0 H VAL A 85 0.668 0.167 5.808 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.567 -1.483 6.193 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.077 1.092 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.526 1.355 4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.936 -0.012 3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.737 -0.313 5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.343 2.032 6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.487 0.403 7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.886 1.162 7.169 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.409 -1.425 3.126 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.457 -2.114 1.848 1.00 0.00 C ATOM 1312 C TRP A 86 -0.308 -3.614 2.114 1.00 0.00 C ATOM 1313 O TRP A 86 -1.032 -4.424 1.538 1.00 0.00 O ATOM 1314 CB TRP A 86 0.605 -1.569 0.890 1.00 0.00 C ATOM 1315 CG TRP A 86 0.140 -0.366 0.066 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.261 0.934 0.365 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.527 -0.407 -1.213 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.278 1.732 -0.624 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.773 0.891 -1.614 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.911 -1.503 -2.005 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.411 1.213 -2.817 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.548 -1.164 -3.204 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.802 0.137 -3.622 1.00 0.00 C ATOM 0 H TRP A 86 0.297 -0.692 3.189 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.412 -1.941 1.352 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.486 -1.284 1.465 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.911 -2.365 0.211 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.722 1.310 1.266 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.308 2.752 -0.628 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.729 -2.526 -1.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.592 2.237 -3.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.864 -1.970 -3.850 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -2.299 0.317 -4.564 1.00 0.00 H new ATOM 1334 N GLN A 87 0.635 -3.937 2.986 1.00 0.00 N ATOM 1335 CA GLN A 87 0.887 -5.324 3.336 1.00 0.00 C ATOM 1336 C GLN A 87 -0.318 -5.915 4.069 1.00 0.00 C ATOM 1337 O GLN A 87 -0.712 -7.051 3.809 1.00 0.00 O ATOM 1338 CB GLN A 87 2.159 -5.455 4.177 1.00 0.00 C ATOM 1339 CG GLN A 87 2.485 -6.925 4.452 1.00 0.00 C ATOM 1340 CD GLN A 87 3.080 -7.101 5.851 1.00 0.00 C ATOM 1341 OE1 GLN A 87 4.070 -6.489 6.214 1.00 0.00 O ATOM 1342 NE2 GLN A 87 2.422 -7.971 6.612 1.00 0.00 N ATOM 0 H GLN A 87 1.234 -3.262 3.461 1.00 0.00 H new ATOM 0 HA GLN A 87 1.039 -5.888 2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.993 -4.985 3.657 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.032 -4.924 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.580 -7.526 4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.189 -7.291 3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.599 -8.449 6.245 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.740 -8.160 7.563 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.871 -5.118 4.971 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.024 -5.548 5.744 1.00 0.00 C ATOM 1353 C ASP A 88 -3.203 -5.790 4.800 1.00 0.00 C ATOM 1354 O ASP A 88 -3.929 -6.772 4.947 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.439 -4.477 6.755 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.077 -5.013 8.039 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -3.075 -6.253 8.199 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -3.551 -4.171 8.831 1.00 0.00 O ATOM 0 H ASP A 88 -0.542 -4.176 5.184 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.753 -6.460 6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.560 -3.890 7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.142 -3.797 6.274 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.359 -4.876 3.853 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.438 -4.978 2.886 1.00 0.00 C ATOM 1365 C LEU A 89 -4.371 -6.342 2.195 1.00 0.00 C ATOM 1366 O LEU A 89 -5.352 -7.084 2.183 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.402 -3.795 1.916 1.00 0.00 C ATOM 1368 CG LEU A 89 -5.072 -2.509 2.402 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.333 -1.275 1.880 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.556 -2.489 2.028 1.00 0.00 C ATOM 0 H LEU A 89 -2.756 -4.062 3.735 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.405 -4.921 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.361 -3.573 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.879 -4.100 0.984 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.014 -2.483 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.830 -0.374 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.303 -1.289 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.339 -1.282 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.009 -1.564 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.659 -2.549 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.059 -3.340 2.488 1.00 0.00 H new ATOM 1382 N VAL A 90 -3.205 -6.630 1.637 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.997 -7.892 0.946 1.00 0.00 C ATOM 1384 C VAL A 90 -3.264 -9.047 1.913 1.00 0.00 C ATOM 1385 O VAL A 90 -4.117 -9.894 1.653 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.593 -7.931 0.339 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -1.319 -9.285 -0.319 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -1.394 -6.787 -0.656 1.00 0.00 C ATOM 0 H VAL A 90 -2.394 -6.012 1.649 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.697 -7.994 0.117 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.874 -7.799 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.315 -9.287 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.399 -10.075 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.047 -9.459 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.388 -6.838 -1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.125 -6.873 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.527 -5.833 -0.145 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.517 -9.045 3.007 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.662 -10.083 4.014 1.00 0.00 C ATOM 1400 C GLN A 91 -4.135 -10.462 4.178 1.00 0.00 C ATOM 1401 O GLN A 91 -4.477 -11.643 4.204 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.057 -9.641 5.348 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.529 -9.630 5.281 1.00 0.00 C ATOM 1404 CD GLN A 91 0.073 -10.575 6.323 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -0.374 -10.657 7.455 1.00 0.00 O ATOM 1406 NE2 GLN A 91 1.108 -11.282 5.878 1.00 0.00 N ATOM 0 H GLN A 91 -1.810 -8.341 3.218 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.116 -10.965 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.420 -8.646 5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.385 -10.314 6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.203 -9.927 4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.161 -8.617 5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.431 -11.164 4.918 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.579 -11.942 6.497 1.00 0.00 H new ATOM 1415 N ASN A 92 -4.968 -9.437 4.285 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.397 -9.647 4.446 1.00 0.00 C ATOM 1417 C ASN A 92 -7.139 -8.992 3.279 1.00 0.00 C ATOM 1418 O ASN A 92 -8.069 -8.215 3.488 1.00 0.00 O ATOM 1419 CB ASN A 92 -6.904 -9.015 5.743 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.694 -9.956 6.931 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -7.532 -10.779 7.260 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.530 -9.790 7.554 1.00 0.00 N ATOM 0 H ASN A 92 -4.681 -8.459 4.263 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.579 -10.721 4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.381 -8.075 5.922 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.963 -8.777 5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.295 -10.371 8.359 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.873 -9.082 7.227 1.00 0.00 H new ATOM 1429 N SER A 93 -6.700 -9.331 2.076 1.00 0.00 N ATOM 1430 CA SER A 93 -7.311 -8.786 0.875 1.00 0.00 C ATOM 1431 C SER A 93 -8.821 -8.640 1.077 1.00 0.00 C ATOM 1432 O SER A 93 -9.521 -9.629 1.289 1.00 0.00 O ATOM 1433 CB SER A 93 -7.021 -9.668 -0.340 1.00 0.00 C ATOM 1434 OG SER A 93 -7.386 -11.027 -0.113 1.00 0.00 O ATOM 0 H SER A 93 -5.928 -9.976 1.907 1.00 0.00 H new ATOM 0 HA SER A 93 -6.879 -7.803 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.565 -9.286 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.960 -9.613 -0.583 1.00 0.00 H new ATOM 0 HG SER A 93 -8.215 -11.060 0.409 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.290 -7.366 1.002 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.704 -7.078 1.173 1.00 0.00 C ATOM 1442 C PRO A 94 -11.501 -7.482 -0.069 1.00 0.00 C ATOM 1443 O PRO A 94 -10.922 -7.857 -1.087 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.770 -5.587 1.462 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.447 -5.011 0.984 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.491 -6.170 0.752 1.00 0.00 C ATOM 0 HA PRO A 94 -11.153 -7.648 1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.608 -5.125 0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.915 -5.401 2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.588 -4.443 0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.040 -4.323 1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.098 -6.162 -0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.635 -6.118 1.425 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.852 -7.389 0.059 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.734 -7.740 -1.041 1.00 0.00 C ATOM 1456 C PRO A 95 -13.727 -6.654 -2.118 1.00 0.00 C ATOM 1457 O PRO A 95 -14.035 -6.922 -3.278 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.099 -7.936 -0.403 1.00 0.00 C ATOM 1459 CG PRO A 95 -15.033 -7.237 0.946 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.572 -6.949 1.250 1.00 0.00 C ATOM 0 HA PRO A 95 -13.419 -8.645 -1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.886 -7.510 -1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.326 -8.995 -0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.608 -6.311 0.925 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.468 -7.865 1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.409 -5.888 1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.238 -7.488 2.136 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.371 -5.449 -1.696 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.320 -4.321 -2.609 1.00 0.00 C ATOM 1470 C TRP A 96 -12.007 -4.403 -3.390 1.00 0.00 C ATOM 1471 O TRP A 96 -11.743 -3.572 -4.257 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.487 -2.999 -1.858 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.431 -2.760 -0.776 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.513 -3.040 0.532 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.124 -2.178 -0.964 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.358 -2.682 1.198 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.487 -2.142 0.260 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.501 -1.698 -2.129 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.194 -1.634 0.436 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.209 -1.194 -1.936 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.554 -1.150 -0.711 1.00 0.00 C ATOM 0 H TRP A 96 -13.115 -5.230 -0.733 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.149 -4.360 -3.316 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.450 -2.179 -2.575 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.475 -2.976 -1.398 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.374 -3.489 1.005 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.177 -2.793 2.196 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.981 -1.716 -3.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.716 -1.617 1.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.685 -0.813 -2.800 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.555 -0.744 -0.644 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.218 -5.414 -3.053 1.00 0.00 N ATOM 1493 CA ILE A 97 -9.939 -5.616 -3.711 1.00 0.00 C ATOM 1494 C ILE A 97 -9.976 -6.928 -4.497 1.00 0.00 C ATOM 1495 O ILE A 97 -9.837 -6.928 -5.719 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.796 -5.538 -2.697 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.539 -4.091 -2.269 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.533 -6.207 -3.241 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.327 -4.001 -1.341 1.00 0.00 C ATOM 0 H ILE A 97 -11.441 -6.101 -2.333 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.751 -4.819 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.094 -6.089 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.374 -3.471 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.420 -3.696 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.736 -6.137 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.740 -7.256 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.221 -5.705 -4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.166 -2.962 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.506 -4.602 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.444 -4.374 -1.859 1.00 0.00 H new