USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 ASN : amide:sc= 0.785 K(o=2,f=-8.1!) USER MOD Set 1.2: A 92 LYS NZ :NH3+ 169:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 28 TYR OH : rot 39:sc= 0.903 USER MOD Set 2.2: A 85 GLN : amide:sc= 0.783 K(o=1.7,f=-0.28) USER MOD Single : A 15 THR OG1 : rot 178:sc= 1.17 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.022 USER MOD Single : A 19 TYR OH : rot -179:sc= 0.376 USER MOD Single : A 20 MET CE :methyl -174:sc= -2.98 (180deg=-3.19) USER MOD Single : A 21 SER OG : rot -22:sc= 0.0985 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0443 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 88:sc= -0.242! USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 0.969 (180deg=0.933) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0275) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.301! C(o=-2.4!,f=-0.3!) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.439 F(o=-1.8!,f=-0.44) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= -0.0196 (180deg=-0.149) USER MOD Single : A 68 HIS : no HD1:sc= -0.113 X(o=-0.11,f=0.023) USER MOD Single : A 71 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.11) USER MOD Single : A 73 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -21:sc= 1.14 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0.562 (180deg=0.503) USER MOD Single : A 89 LYS NZ :NH3+ 168:sc= -1.07 (180deg=-1.53!) USER MOD Single : A 91 GLN :FLIP amide:sc= -2.35! C(o=-3.4!,f=-2.3!) USER MOD Single : A 97 GLN : amide:sc= -0.568 K(o=-0.57,f=-8.1!) USER MOD Single : A 99 LYS NZ :NH3+ 145:sc= 0.347 (180deg=0.025) USER MOD Single : A 102 THR OG1 : rot -140:sc= 1.21 USER MOD Single : A 107 LYS NZ :NH3+ -132:sc= 1.27 (180deg=0.757) USER MOD Single : A 117 LYS NZ :NH3+ -131:sc= 1.28 (180deg=0.161) USER MOD ----------------------------------------------------------------- ATOM 120 N GLU A 10 -10.711 -4.620 2.821 1.00 0.00 N ATOM 121 CA GLU A 10 -10.345 -4.051 4.103 1.00 0.00 C ATOM 122 C GLU A 10 -9.229 -4.860 4.730 1.00 0.00 C ATOM 123 O GLU A 10 -9.157 -6.085 4.550 1.00 0.00 O ATOM 124 CB GLU A 10 -11.543 -4.098 5.041 1.00 0.00 C ATOM 125 CG GLU A 10 -12.833 -3.584 4.439 1.00 0.00 C ATOM 126 CD GLU A 10 -13.994 -3.788 5.357 1.00 0.00 C ATOM 127 OE1 GLU A 10 -14.148 -4.906 5.897 1.00 0.00 O ATOM 128 OE2 GLU A 10 -14.793 -2.841 5.550 1.00 0.00 O ATOM 0 HA GLU A 10 -10.020 -3.022 3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.694 -5.127 5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.314 -3.513 5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.731 -2.523 4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.022 -4.095 3.495 1.00 0.00 H new ATOM 135 N ILE A 11 -8.376 -4.206 5.457 1.00 0.00 N ATOM 136 CA ILE A 11 -7.345 -4.898 6.159 1.00 0.00 C ATOM 137 C ILE A 11 -7.743 -4.998 7.610 1.00 0.00 C ATOM 138 O ILE A 11 -7.977 -3.982 8.276 1.00 0.00 O ATOM 139 CB ILE A 11 -5.978 -4.208 6.084 1.00 0.00 C ATOM 140 CG1 ILE A 11 -5.603 -3.926 4.687 1.00 0.00 C ATOM 141 CG2 ILE A 11 -4.929 -5.114 6.645 1.00 0.00 C ATOM 142 CD1 ILE A 11 -4.295 -3.192 4.542 1.00 0.00 C ATOM 0 H ILE A 11 -8.375 -3.193 5.578 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.238 -5.874 5.686 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.047 -3.278 6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.543 -4.867 4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.393 -3.337 4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.957 -4.623 6.591 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.163 -5.342 7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.900 -6.039 6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.089 -3.022 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.356 -2.234 5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.493 -3.788 4.977 1.00 0.00 H new ATOM 154 N GLY A 12 -7.855 -6.187 8.066 1.00 0.00 N ATOM 155 CA GLY A 12 -8.167 -6.443 9.417 1.00 0.00 C ATOM 156 C GLY A 12 -7.225 -7.480 9.939 1.00 0.00 C ATOM 157 O GLY A 12 -6.447 -8.054 9.141 1.00 0.00 O ATOM 0 H GLY A 12 -7.730 -7.026 7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.084 -5.528 10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.197 -6.788 9.508 1.00 0.00 H new ATOM 161 N PRO A 13 -7.275 -7.797 11.241 1.00 0.00 N ATOM 162 CA PRO A 13 -6.365 -8.766 11.866 1.00 0.00 C ATOM 163 C PRO A 13 -6.493 -10.167 11.271 1.00 0.00 C ATOM 164 O PRO A 13 -5.599 -11.001 11.424 1.00 0.00 O ATOM 165 CB PRO A 13 -6.788 -8.768 13.343 1.00 0.00 C ATOM 166 CG PRO A 13 -8.176 -8.229 13.341 1.00 0.00 C ATOM 167 CD PRO A 13 -8.231 -7.238 12.220 1.00 0.00 C ATOM 0 HA PRO A 13 -5.322 -8.490 11.710 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.755 -9.773 13.763 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.124 -8.149 13.946 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.904 -9.026 13.193 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.412 -7.754 14.294 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.235 -7.155 11.803 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.938 -6.240 12.547 1.00 0.00 H new ATOM 175 N GLU A 14 -7.579 -10.415 10.571 1.00 0.00 N ATOM 176 CA GLU A 14 -7.800 -11.697 9.996 1.00 0.00 C ATOM 177 C GLU A 14 -7.535 -11.696 8.495 1.00 0.00 C ATOM 178 O GLU A 14 -7.429 -12.756 7.907 1.00 0.00 O ATOM 179 CB GLU A 14 -9.231 -12.221 10.275 1.00 0.00 C ATOM 180 CG GLU A 14 -10.370 -11.487 9.550 1.00 0.00 C ATOM 181 CD GLU A 14 -10.611 -10.075 10.029 1.00 0.00 C ATOM 182 OE1 GLU A 14 -9.889 -9.156 9.606 1.00 0.00 O ATOM 183 OE2 GLU A 14 -11.538 -9.869 10.834 1.00 0.00 O ATOM 0 H GLU A 14 -8.317 -9.734 10.394 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.089 -12.371 10.475 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.271 -13.275 9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.414 -12.165 11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.148 -11.462 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.289 -12.060 9.671 1.00 0.00 H new ATOM 190 N THR A 15 -7.414 -10.529 7.869 1.00 0.00 N ATOM 191 CA THR A 15 -7.295 -10.503 6.422 1.00 0.00 C ATOM 192 C THR A 15 -5.873 -10.284 5.959 1.00 0.00 C ATOM 193 O THR A 15 -5.474 -10.808 4.918 1.00 0.00 O ATOM 194 CB THR A 15 -8.226 -9.453 5.767 1.00 0.00 C ATOM 195 OG1 THR A 15 -7.853 -8.128 6.163 1.00 0.00 O ATOM 196 CG2 THR A 15 -9.647 -9.689 6.188 1.00 0.00 C ATOM 0 H THR A 15 -7.396 -9.618 8.327 1.00 0.00 H new ATOM 0 HA THR A 15 -7.612 -11.493 6.093 1.00 0.00 H new ATOM 0 HB THR A 15 -8.132 -9.552 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.427 -7.477 5.708 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.293 -8.945 5.722 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.958 -10.686 5.876 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.724 -9.607 7.272 1.00 0.00 H new ATOM 204 N TYR A 16 -5.085 -9.526 6.723 1.00 0.00 N ATOM 205 CA TYR A 16 -3.726 -9.236 6.291 1.00 0.00 C ATOM 206 C TYR A 16 -2.865 -10.472 6.121 1.00 0.00 C ATOM 207 O TYR A 16 -2.029 -10.530 5.218 1.00 0.00 O ATOM 208 CB TYR A 16 -3.020 -8.130 7.085 1.00 0.00 C ATOM 209 CG TYR A 16 -2.845 -8.297 8.593 1.00 0.00 C ATOM 210 CD1 TYR A 16 -2.026 -9.285 9.134 1.00 0.00 C ATOM 211 CD2 TYR A 16 -3.472 -7.427 9.472 1.00 0.00 C ATOM 212 CE1 TYR A 16 -1.852 -9.400 10.500 1.00 0.00 C ATOM 213 CE2 TYR A 16 -3.298 -7.530 10.834 1.00 0.00 C ATOM 214 CZ TYR A 16 -2.491 -8.516 11.343 1.00 0.00 C ATOM 215 OH TYR A 16 -2.315 -8.615 12.703 1.00 0.00 O ATOM 0 H TYR A 16 -5.357 -9.115 7.616 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.860 -8.819 5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.029 -7.995 6.652 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.569 -7.203 6.918 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.518 -9.973 8.475 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.112 -6.651 9.079 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.220 -10.177 10.904 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.794 -6.838 11.498 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.835 -7.916 13.152 1.00 0.00 H new ATOM 225 N SER A 17 -3.121 -11.459 6.938 1.00 0.00 N ATOM 226 CA SER A 17 -2.454 -12.731 6.887 1.00 0.00 C ATOM 227 C SER A 17 -2.681 -13.404 5.519 1.00 0.00 C ATOM 228 O SER A 17 -1.799 -14.062 4.990 1.00 0.00 O ATOM 229 CB SER A 17 -3.021 -13.590 8.005 1.00 0.00 C ATOM 230 OG SER A 17 -3.047 -12.837 9.215 1.00 0.00 O ATOM 0 H SER A 17 -3.820 -11.397 7.678 1.00 0.00 H new ATOM 0 HA SER A 17 -1.379 -12.603 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.027 -13.922 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.413 -14.486 8.134 1.00 0.00 H new ATOM 0 HG SER A 17 -3.414 -13.390 9.936 1.00 0.00 H new ATOM 236 N ASP A 18 -3.835 -13.144 4.912 1.00 0.00 N ATOM 237 CA ASP A 18 -4.182 -13.768 3.627 1.00 0.00 C ATOM 238 C ASP A 18 -3.484 -13.058 2.520 1.00 0.00 C ATOM 239 O ASP A 18 -2.991 -13.685 1.564 1.00 0.00 O ATOM 240 CB ASP A 18 -5.695 -13.765 3.351 1.00 0.00 C ATOM 241 CG ASP A 18 -6.476 -14.628 4.297 1.00 0.00 C ATOM 242 OD1 ASP A 18 -6.563 -15.856 4.086 1.00 0.00 O ATOM 243 OD2 ASP A 18 -7.009 -14.116 5.272 1.00 0.00 O ATOM 0 H ASP A 18 -4.545 -12.511 5.281 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.861 -14.808 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.066 -12.742 3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.871 -14.106 2.331 1.00 0.00 H new ATOM 248 N TYR A 19 -3.346 -11.753 2.675 1.00 0.00 N ATOM 249 CA TYR A 19 -2.742 -10.947 1.648 1.00 0.00 C ATOM 250 C TYR A 19 -1.258 -11.222 1.656 1.00 0.00 C ATOM 251 O TYR A 19 -0.580 -11.178 0.637 1.00 0.00 O ATOM 252 CB TYR A 19 -3.022 -9.462 1.896 1.00 0.00 C ATOM 253 CG TYR A 19 -4.501 -9.100 2.026 1.00 0.00 C ATOM 254 CD1 TYR A 19 -5.459 -9.667 1.191 1.00 0.00 C ATOM 255 CD2 TYR A 19 -4.934 -8.190 2.983 1.00 0.00 C ATOM 256 CE1 TYR A 19 -6.793 -9.346 1.311 1.00 0.00 C ATOM 257 CE2 TYR A 19 -6.271 -7.861 3.107 1.00 0.00 C ATOM 258 CZ TYR A 19 -7.196 -8.444 2.268 1.00 0.00 C ATOM 259 OH TYR A 19 -8.534 -8.137 2.398 1.00 0.00 O ATOM 0 H TYR A 19 -3.645 -11.237 3.502 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.162 -11.198 0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.507 -9.157 2.807 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.592 -8.884 1.078 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.150 -10.373 0.434 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.212 -7.731 3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.521 -9.801 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.589 -7.151 3.857 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.650 -7.473 3.109 1.00 0.00 H new ATOM 269 N MET A 20 -0.785 -11.575 2.822 1.00 0.00 N ATOM 270 CA MET A 20 0.586 -11.889 3.036 1.00 0.00 C ATOM 271 C MET A 20 0.871 -13.295 2.525 1.00 0.00 C ATOM 272 O MET A 20 1.912 -13.564 1.944 1.00 0.00 O ATOM 273 CB MET A 20 0.887 -11.819 4.526 1.00 0.00 C ATOM 274 CG MET A 20 2.252 -11.252 4.847 1.00 0.00 C ATOM 275 SD MET A 20 2.215 -9.449 5.141 1.00 0.00 S ATOM 276 CE MET A 20 1.251 -8.828 3.751 1.00 0.00 C ATOM 0 H MET A 20 -1.361 -11.651 3.660 1.00 0.00 H new ATOM 0 HA MET A 20 1.214 -11.177 2.501 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.127 -11.208 5.012 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.811 -12.820 4.950 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.650 -11.752 5.730 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.933 -11.468 4.024 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.253 -7.738 3.765 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.691 -9.179 2.817 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.226 -9.190 3.828 1.00 0.00 H new ATOM 286 N SER A 21 -0.085 -14.171 2.711 1.00 0.00 N ATOM 287 CA SER A 21 0.047 -15.550 2.318 1.00 0.00 C ATOM 288 C SER A 21 -0.169 -15.713 0.808 1.00 0.00 C ATOM 289 O SER A 21 0.083 -16.782 0.258 1.00 0.00 O ATOM 290 CB SER A 21 -0.951 -16.409 3.118 1.00 0.00 C ATOM 291 OG SER A 21 -0.752 -17.807 2.919 1.00 0.00 O ATOM 0 H SER A 21 -0.981 -13.945 3.142 1.00 0.00 H new ATOM 0 HA SER A 21 1.059 -15.888 2.539 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.854 -16.179 4.179 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.968 -16.145 2.826 1.00 0.00 H new ATOM 0 HG SER A 21 -0.275 -17.953 2.076 1.00 0.00 H new ATOM 297 N ALA A 22 -0.644 -14.654 0.150 1.00 0.00 N ATOM 298 CA ALA A 22 -0.856 -14.685 -1.276 1.00 0.00 C ATOM 299 C ALA A 22 0.479 -14.613 -2.016 1.00 0.00 C ATOM 300 O ALA A 22 0.664 -15.239 -3.062 1.00 0.00 O ATOM 301 CB ALA A 22 -1.764 -13.538 -1.687 1.00 0.00 C ATOM 0 H ALA A 22 -0.886 -13.768 0.594 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.339 -15.625 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.921 -13.566 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.723 -13.633 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.300 -12.591 -1.413 1.00 0.00 H new ATOM 307 N GLY A 23 1.410 -13.845 -1.468 1.00 0.00 N ATOM 308 CA GLY A 23 2.724 -13.715 -2.078 1.00 0.00 C ATOM 309 C GLY A 23 2.814 -12.497 -2.961 1.00 0.00 C ATOM 310 O GLY A 23 3.908 -12.049 -3.330 1.00 0.00 O ATOM 0 H GLY A 23 1.282 -13.308 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.483 -13.655 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.942 -14.607 -2.666 1.00 0.00 H new ATOM 314 N ILE A 24 1.673 -11.967 -3.291 1.00 0.00 N ATOM 315 CA ILE A 24 1.563 -10.783 -4.107 1.00 0.00 C ATOM 316 C ILE A 24 1.467 -9.539 -3.224 1.00 0.00 C ATOM 317 O ILE A 24 1.069 -9.636 -2.068 1.00 0.00 O ATOM 318 CB ILE A 24 0.366 -10.863 -5.101 1.00 0.00 C ATOM 319 CG1 ILE A 24 -0.882 -11.439 -4.415 1.00 0.00 C ATOM 320 CG2 ILE A 24 0.746 -11.673 -6.337 1.00 0.00 C ATOM 321 CD1 ILE A 24 -2.137 -11.432 -5.259 1.00 0.00 C ATOM 0 H ILE A 24 0.774 -12.349 -2.998 1.00 0.00 H new ATOM 0 HA ILE A 24 2.467 -10.713 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 24 0.123 -9.851 -5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.671 -12.465 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.072 -10.871 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.104 -11.717 -7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.589 -11.198 -6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.024 -12.684 -6.038 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.962 -11.858 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.381 -10.407 -5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.974 -12.026 -6.158 1.00 0.00 H new ATOM 333 N PRO A 25 1.886 -8.369 -3.745 1.00 0.00 N ATOM 334 CA PRO A 25 1.893 -7.086 -3.006 1.00 0.00 C ATOM 335 C PRO A 25 0.539 -6.692 -2.391 1.00 0.00 C ATOM 336 O PRO A 25 -0.527 -6.966 -2.942 1.00 0.00 O ATOM 337 CB PRO A 25 2.309 -6.060 -4.072 1.00 0.00 C ATOM 338 CG PRO A 25 2.101 -6.760 -5.374 1.00 0.00 C ATOM 339 CD PRO A 25 2.402 -8.189 -5.111 1.00 0.00 C ATOM 0 HA PRO A 25 2.559 -7.148 -2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.704 -5.155 -4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.349 -5.758 -3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.078 -6.634 -5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.757 -6.357 -6.145 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.906 -8.848 -5.824 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.470 -8.398 -5.174 1.00 0.00 H new ATOM 347 N LEU A 26 0.603 -6.064 -1.251 1.00 0.00 N ATOM 348 CA LEU A 26 -0.551 -5.609 -0.533 1.00 0.00 C ATOM 349 C LEU A 26 -0.581 -4.098 -0.637 1.00 0.00 C ATOM 350 O LEU A 26 0.399 -3.432 -0.332 1.00 0.00 O ATOM 351 CB LEU A 26 -0.414 -6.004 0.944 1.00 0.00 C ATOM 352 CG LEU A 26 -1.707 -6.110 1.815 1.00 0.00 C ATOM 353 CD1 LEU A 26 -1.376 -6.577 3.213 1.00 0.00 C ATOM 354 CD2 LEU A 26 -2.471 -4.807 1.898 1.00 0.00 C ATOM 0 H LEU A 26 1.484 -5.849 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.461 -6.049 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.091 -6.969 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.247 -5.280 1.420 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.345 -6.840 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.292 -6.643 3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.903 -7.558 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.694 -5.867 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.358 -4.944 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.835 -4.040 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.771 -4.496 0.897 1.00 0.00 H new ATOM 366 N ALA A 27 -1.671 -3.585 -1.063 1.00 0.00 N ATOM 367 CA ALA A 27 -1.873 -2.174 -1.141 1.00 0.00 C ATOM 368 C ALA A 27 -2.643 -1.714 0.083 1.00 0.00 C ATOM 369 O ALA A 27 -3.836 -2.002 0.232 1.00 0.00 O ATOM 370 CB ALA A 27 -2.608 -1.814 -2.403 1.00 0.00 C ATOM 0 H ALA A 27 -2.470 -4.137 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.907 -1.670 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.753 -0.734 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.027 -2.136 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.578 -2.311 -2.413 1.00 0.00 H new ATOM 376 N TYR A 28 -1.952 -1.046 0.948 1.00 0.00 N ATOM 377 CA TYR A 28 -2.480 -0.553 2.188 1.00 0.00 C ATOM 378 C TYR A 28 -3.057 0.790 1.973 1.00 0.00 C ATOM 379 O TYR A 28 -2.351 1.712 1.557 1.00 0.00 O ATOM 380 CB TYR A 28 -1.375 -0.385 3.216 1.00 0.00 C ATOM 381 CG TYR A 28 -0.833 -1.634 3.860 1.00 0.00 C ATOM 382 CD1 TYR A 28 0.039 -2.471 3.193 1.00 0.00 C ATOM 383 CD2 TYR A 28 -1.167 -1.946 5.166 1.00 0.00 C ATOM 384 CE1 TYR A 28 0.564 -3.582 3.812 1.00 0.00 C ATOM 385 CE2 TYR A 28 -0.653 -3.061 5.788 1.00 0.00 C ATOM 386 CZ TYR A 28 0.217 -3.875 5.106 1.00 0.00 C ATOM 387 OH TYR A 28 0.773 -4.982 5.729 1.00 0.00 O ATOM 0 H TYR A 28 -0.968 -0.818 0.810 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.225 -1.267 2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.545 0.134 2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.746 0.268 4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.313 -2.251 2.172 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.844 -1.302 5.708 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.250 -4.224 3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.932 -3.294 6.805 1.00 0.00 H new ATOM 0 HH TYR A 28 1.713 -5.067 5.467 1.00 0.00 H new ATOM 397 N ILE A 29 -4.291 0.933 2.242 1.00 0.00 N ATOM 398 CA ILE A 29 -4.879 2.210 2.125 1.00 0.00 C ATOM 399 C ILE A 29 -5.216 2.715 3.482 1.00 0.00 C ATOM 400 O ILE A 29 -6.287 2.436 4.013 1.00 0.00 O ATOM 401 CB ILE A 29 -6.120 2.246 1.219 1.00 0.00 C ATOM 402 CG1 ILE A 29 -5.812 1.581 -0.118 1.00 0.00 C ATOM 403 CG2 ILE A 29 -6.566 3.686 1.008 1.00 0.00 C ATOM 404 CD1 ILE A 29 -6.350 0.178 -0.249 1.00 0.00 C ATOM 0 H ILE A 29 -4.917 0.187 2.545 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.145 2.855 1.642 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.929 1.697 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.226 2.193 -0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.731 1.559 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.446 3.704 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.811 4.136 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.761 4.251 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.088 -0.222 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.917 -0.452 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.435 0.193 -0.142 1.00 0.00 H new ATOM 416 N PHE A 30 -4.277 3.382 4.073 1.00 0.00 N ATOM 417 CA PHE A 30 -4.470 3.968 5.360 1.00 0.00 C ATOM 418 C PHE A 30 -5.227 5.196 5.191 1.00 0.00 C ATOM 419 O PHE A 30 -4.729 6.151 4.670 1.00 0.00 O ATOM 420 CB PHE A 30 -3.167 4.323 5.984 1.00 0.00 C ATOM 421 CG PHE A 30 -2.402 3.174 6.534 1.00 0.00 C ATOM 422 CD1 PHE A 30 -1.673 2.326 5.728 1.00 0.00 C ATOM 423 CD2 PHE A 30 -2.441 2.938 7.879 1.00 0.00 C ATOM 424 CE1 PHE A 30 -1.007 1.254 6.272 1.00 0.00 C ATOM 425 CE2 PHE A 30 -1.785 1.890 8.434 1.00 0.00 C ATOM 426 CZ PHE A 30 -1.065 1.031 7.626 1.00 0.00 C ATOM 0 H PHE A 30 -3.351 3.536 3.675 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.991 3.252 5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.551 4.828 5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.348 5.038 6.787 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.625 2.505 4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.008 3.602 8.515 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.440 0.589 5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.825 1.727 9.501 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.549 0.186 8.058 1.00 0.00 H new ATOM 436 N ALA A 31 -6.391 5.181 5.612 1.00 0.00 N ATOM 437 CA ALA A 31 -7.209 6.334 5.504 1.00 0.00 C ATOM 438 C ALA A 31 -7.653 6.758 6.842 1.00 0.00 C ATOM 439 O ALA A 31 -8.262 5.984 7.590 1.00 0.00 O ATOM 440 CB ALA A 31 -8.366 6.169 4.517 1.00 0.00 C ATOM 0 H ALA A 31 -6.837 4.376 6.051 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.603 7.132 5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.950 7.089 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.970 5.955 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.003 5.345 4.838 1.00 0.00 H new ATOM 446 N GLU A 32 -7.273 7.962 7.195 1.00 0.00 N ATOM 447 CA GLU A 32 -7.650 8.527 8.471 1.00 0.00 C ATOM 448 C GLU A 32 -9.115 8.810 8.419 1.00 0.00 C ATOM 449 O GLU A 32 -9.829 8.762 9.416 1.00 0.00 O ATOM 450 CB GLU A 32 -6.951 9.842 8.703 1.00 0.00 C ATOM 451 CG GLU A 32 -6.927 10.238 10.162 1.00 0.00 C ATOM 452 CD GLU A 32 -6.551 11.667 10.370 1.00 0.00 C ATOM 453 OE1 GLU A 32 -7.414 12.542 10.175 1.00 0.00 O ATOM 454 OE2 GLU A 32 -5.399 11.948 10.754 1.00 0.00 O ATOM 0 H GLU A 32 -6.700 8.574 6.614 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.383 7.829 9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.928 9.776 8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.450 10.621 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.910 10.059 10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.221 9.601 10.695 1.00 0.00 H new ATOM 461 N THR A 33 -9.543 9.066 7.230 1.00 0.00 N ATOM 462 CA THR A 33 -10.845 9.424 6.949 1.00 0.00 C ATOM 463 C THR A 33 -11.711 8.188 7.040 1.00 0.00 C ATOM 464 O THR A 33 -11.455 7.188 6.380 1.00 0.00 O ATOM 465 CB THR A 33 -10.840 10.067 5.566 1.00 0.00 C ATOM 466 OG1 THR A 33 -10.086 9.246 4.645 1.00 0.00 O ATOM 467 CG2 THR A 33 -10.181 11.428 5.655 1.00 0.00 C ATOM 0 H THR A 33 -8.946 9.022 6.404 1.00 0.00 H new ATOM 0 HA THR A 33 -11.257 10.145 7.656 1.00 0.00 H new ATOM 0 HB THR A 33 -11.866 10.165 5.212 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.088 9.663 3.758 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.174 11.894 4.670 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.738 12.057 6.350 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.157 11.314 6.010 1.00 0.00 H new ATOM 475 N ALA A 34 -12.657 8.207 7.924 1.00 0.00 N ATOM 476 CA ALA A 34 -13.472 7.048 8.148 1.00 0.00 C ATOM 477 C ALA A 34 -14.784 7.149 7.430 1.00 0.00 C ATOM 478 O ALA A 34 -15.441 6.142 7.175 1.00 0.00 O ATOM 479 CB ALA A 34 -13.687 6.838 9.628 1.00 0.00 C ATOM 0 H ALA A 34 -12.887 9.013 8.506 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.945 6.184 7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.307 5.955 9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.724 6.697 10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -14.185 7.711 10.051 1.00 0.00 H new ATOM 485 N GLU A 35 -15.134 8.335 7.042 1.00 0.00 N ATOM 486 CA GLU A 35 -16.436 8.558 6.457 1.00 0.00 C ATOM 487 C GLU A 35 -16.317 8.591 4.954 1.00 0.00 C ATOM 488 O GLU A 35 -16.922 7.787 4.237 1.00 0.00 O ATOM 489 CB GLU A 35 -17.018 9.864 6.994 1.00 0.00 C ATOM 490 CG GLU A 35 -17.011 9.927 8.515 1.00 0.00 C ATOM 491 CD GLU A 35 -17.593 11.191 9.068 1.00 0.00 C ATOM 492 OE1 GLU A 35 -16.927 12.237 9.008 1.00 0.00 O ATOM 493 OE2 GLU A 35 -18.715 11.153 9.614 1.00 0.00 O ATOM 0 H GLU A 35 -14.546 9.165 7.115 1.00 0.00 H new ATOM 0 HA GLU A 35 -17.110 7.745 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.446 10.703 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -18.041 9.977 6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -17.570 9.078 8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.985 9.824 8.869 1.00 0.00 H new ATOM 500 N GLU A 36 -15.429 9.428 4.502 1.00 0.00 N ATOM 501 CA GLU A 36 -15.205 9.688 3.107 1.00 0.00 C ATOM 502 C GLU A 36 -14.219 8.695 2.517 1.00 0.00 C ATOM 503 O GLU A 36 -13.805 8.809 1.354 1.00 0.00 O ATOM 504 CB GLU A 36 -14.717 11.139 2.889 1.00 0.00 C ATOM 505 CG GLU A 36 -13.478 11.561 3.696 1.00 0.00 C ATOM 506 CD GLU A 36 -13.743 11.746 5.187 1.00 0.00 C ATOM 507 OE1 GLU A 36 -13.706 10.748 5.945 1.00 0.00 O ATOM 508 OE2 GLU A 36 -14.008 12.871 5.617 1.00 0.00 O ATOM 0 H GLU A 36 -14.819 9.968 5.115 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.156 9.566 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.499 11.273 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.534 11.817 3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.699 10.810 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.091 12.495 3.287 1.00 0.00 H new ATOM 515 N ARG A 37 -13.857 7.690 3.307 1.00 0.00 N ATOM 516 CA ARG A 37 -12.945 6.666 2.836 1.00 0.00 C ATOM 517 C ARG A 37 -13.625 5.782 1.836 1.00 0.00 C ATOM 518 O ARG A 37 -12.972 5.056 1.118 1.00 0.00 O ATOM 519 CB ARG A 37 -12.416 5.774 3.940 1.00 0.00 C ATOM 520 CG ARG A 37 -13.464 4.892 4.603 1.00 0.00 C ATOM 521 CD ARG A 37 -12.812 3.867 5.491 1.00 0.00 C ATOM 522 NE ARG A 37 -12.000 4.503 6.534 1.00 0.00 N ATOM 523 CZ ARG A 37 -11.587 3.931 7.673 1.00 0.00 C ATOM 524 NH1 ARG A 37 -11.700 2.611 7.856 1.00 0.00 N ATOM 525 NH2 ARG A 37 -10.989 4.685 8.583 1.00 0.00 N ATOM 0 H ARG A 37 -14.180 7.567 4.267 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.107 7.206 2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.632 5.137 3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.952 6.399 4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.146 5.507 5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.061 4.392 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.578 3.244 5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.185 3.209 4.890 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.724 5.472 6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.104 2.027 7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.382 2.188 8.728 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.851 5.681 8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.667 4.270 9.457 1.00 0.00 H new ATOM 539 N LYS A 38 -14.934 5.827 1.801 1.00 0.00 N ATOM 540 CA LYS A 38 -15.656 4.992 0.897 1.00 0.00 C ATOM 541 C LYS A 38 -15.414 5.473 -0.523 1.00 0.00 C ATOM 542 O LYS A 38 -15.112 4.690 -1.389 1.00 0.00 O ATOM 543 CB LYS A 38 -17.138 4.964 1.238 1.00 0.00 C ATOM 544 CG LYS A 38 -17.452 4.395 2.614 1.00 0.00 C ATOM 545 CD LYS A 38 -17.045 2.935 2.736 1.00 0.00 C ATOM 546 CE LYS A 38 -17.357 2.393 4.120 1.00 0.00 C ATOM 547 NZ LYS A 38 -17.010 0.965 4.248 1.00 0.00 N ATOM 0 H LYS A 38 -15.510 6.431 2.387 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.297 3.967 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.532 5.979 1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.661 4.374 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.934 4.980 3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.520 4.491 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.569 2.344 1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.979 2.834 2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.808 2.967 4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.418 2.528 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.239 0.637 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.553 0.412 3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.993 0.838 4.072 1.00 0.00 H new ATOM 561 N GLU A 39 -15.490 6.781 -0.719 1.00 0.00 N ATOM 562 CA GLU A 39 -15.192 7.399 -2.004 1.00 0.00 C ATOM 563 C GLU A 39 -13.708 7.211 -2.338 1.00 0.00 C ATOM 564 O GLU A 39 -13.331 6.999 -3.494 1.00 0.00 O ATOM 565 CB GLU A 39 -15.540 8.899 -2.022 1.00 0.00 C ATOM 566 CG GLU A 39 -16.971 9.246 -1.616 1.00 0.00 C ATOM 567 CD GLU A 39 -17.175 9.302 -0.115 1.00 0.00 C ATOM 568 OE1 GLU A 39 -17.373 8.250 0.530 1.00 0.00 O ATOM 569 OE2 GLU A 39 -17.160 10.407 0.444 1.00 0.00 O ATOM 0 H GLU A 39 -15.760 7.444 0.007 1.00 0.00 H new ATOM 0 HA GLU A 39 -15.811 6.907 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.855 9.421 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -15.362 9.284 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.239 10.210 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.650 8.507 -2.040 1.00 0.00 H new ATOM 576 N LEU A 40 -12.884 7.248 -1.312 1.00 0.00 N ATOM 577 CA LEU A 40 -11.460 7.043 -1.442 1.00 0.00 C ATOM 578 C LEU A 40 -11.254 5.598 -2.024 1.00 0.00 C ATOM 579 O LEU A 40 -10.628 5.388 -3.098 1.00 0.00 O ATOM 580 CB LEU A 40 -10.872 7.227 -0.004 1.00 0.00 C ATOM 581 CG LEU A 40 -9.395 7.597 0.181 1.00 0.00 C ATOM 582 CD1 LEU A 40 -8.487 6.472 -0.233 1.00 0.00 C ATOM 583 CD2 LEU A 40 -9.077 8.868 -0.591 1.00 0.00 C ATOM 0 H LEU A 40 -13.189 7.423 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.956 7.738 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.463 7.997 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.043 6.296 0.537 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.219 7.777 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.449 6.770 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.699 5.591 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.654 6.238 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.026 9.124 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.277 8.710 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.700 9.683 -0.222 1.00 0.00 H new ATOM 595 N SER A 41 -11.931 4.649 -1.403 1.00 0.00 N ATOM 596 CA SER A 41 -11.871 3.253 -1.791 1.00 0.00 C ATOM 597 C SER A 41 -12.681 3.001 -3.066 1.00 0.00 C ATOM 598 O SER A 41 -12.601 1.953 -3.662 1.00 0.00 O ATOM 599 CB SER A 41 -12.405 2.390 -0.664 1.00 0.00 C ATOM 600 OG SER A 41 -11.774 2.735 0.557 1.00 0.00 O ATOM 0 H SER A 41 -12.544 4.828 -0.607 1.00 0.00 H new ATOM 0 HA SER A 41 -10.831 2.995 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.483 2.522 -0.575 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.230 1.338 -0.888 1.00 0.00 H new ATOM 0 HG SER A 41 -12.274 3.457 0.991 1.00 0.00 H new ATOM 606 N ASP A 42 -13.446 3.979 -3.466 1.00 0.00 N ATOM 607 CA ASP A 42 -14.274 3.904 -4.657 1.00 0.00 C ATOM 608 C ASP A 42 -13.449 4.108 -5.871 1.00 0.00 C ATOM 609 O ASP A 42 -13.677 3.494 -6.874 1.00 0.00 O ATOM 610 CB ASP A 42 -15.329 4.944 -4.592 1.00 0.00 C ATOM 611 CG ASP A 42 -16.275 4.942 -5.779 1.00 0.00 C ATOM 612 OD1 ASP A 42 -17.292 4.220 -5.745 1.00 0.00 O ATOM 613 OD2 ASP A 42 -16.030 5.693 -6.744 1.00 0.00 O ATOM 0 H ASP A 42 -13.519 4.868 -2.972 1.00 0.00 H new ATOM 0 HA ASP A 42 -14.734 2.917 -4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -15.908 4.802 -3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -14.855 5.923 -4.520 1.00 0.00 H new ATOM 618 N LYS A 43 -12.478 4.992 -5.783 1.00 0.00 N ATOM 619 CA LYS A 43 -11.534 5.156 -6.884 1.00 0.00 C ATOM 620 C LYS A 43 -10.618 3.938 -6.909 1.00 0.00 C ATOM 621 O LYS A 43 -10.204 3.392 -7.996 1.00 0.00 O ATOM 622 CB LYS A 43 -10.705 6.458 -6.763 1.00 0.00 C ATOM 623 CG LYS A 43 -11.337 7.780 -7.310 1.00 0.00 C ATOM 624 CD LYS A 43 -12.405 8.456 -6.427 1.00 0.00 C ATOM 625 CE LYS A 43 -13.737 7.727 -6.388 1.00 0.00 C ATOM 626 NZ LYS A 43 -14.376 7.571 -7.709 1.00 0.00 N ATOM 0 H LYS A 43 -12.317 5.600 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.093 5.237 -7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.472 6.610 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.758 6.301 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.533 8.496 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.784 7.567 -8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.020 8.539 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.570 9.471 -6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.587 6.740 -5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.416 8.268 -5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.302 7.111 -7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.506 8.506 -8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.771 6.986 -8.320 1.00 0.00 H new ATOM 640 N LEU A 44 -10.374 3.450 -5.721 1.00 0.00 N ATOM 641 CA LEU A 44 -9.547 2.325 -5.540 1.00 0.00 C ATOM 642 C LEU A 44 -10.225 1.044 -5.966 1.00 0.00 C ATOM 643 O LEU A 44 -9.578 0.088 -6.279 1.00 0.00 O ATOM 644 CB LEU A 44 -9.189 2.252 -4.113 1.00 0.00 C ATOM 645 CG LEU A 44 -8.313 3.363 -3.597 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.065 3.162 -2.134 1.00 0.00 C ATOM 647 CD2 LEU A 44 -7.006 3.436 -4.379 1.00 0.00 C ATOM 0 H LEU A 44 -10.754 3.837 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.660 2.435 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.109 2.239 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.683 1.303 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.823 4.316 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.431 3.965 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.015 3.170 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.568 2.204 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.392 4.246 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.469 2.493 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.221 3.621 -5.431 1.00 0.00 H new ATOM 659 N LYS A 45 -11.517 1.060 -6.001 1.00 0.00 N ATOM 660 CA LYS A 45 -12.297 -0.116 -6.299 1.00 0.00 C ATOM 661 C LYS A 45 -12.098 -0.611 -7.759 1.00 0.00 C ATOM 662 O LYS A 45 -11.790 -1.775 -7.955 1.00 0.00 O ATOM 663 CB LYS A 45 -13.766 0.124 -5.944 1.00 0.00 C ATOM 664 CG LYS A 45 -14.620 -1.125 -5.878 1.00 0.00 C ATOM 665 CD LYS A 45 -16.046 -0.795 -5.445 1.00 0.00 C ATOM 666 CE LYS A 45 -16.116 -0.201 -4.028 1.00 0.00 C ATOM 667 NZ LYS A 45 -15.658 -1.155 -2.982 1.00 0.00 N ATOM 0 H LYS A 45 -12.075 1.895 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.934 -0.932 -5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.813 0.630 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.196 0.802 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.636 -1.610 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.179 -1.834 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.481 -0.089 -6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.652 -1.700 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.504 0.700 -3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.142 0.100 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.805 -0.736 -2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.201 -2.039 -3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.647 -1.358 -3.116 1.00 0.00 H new ATOM 681 N PRO A 46 -12.211 0.257 -8.809 1.00 0.00 N ATOM 682 CA PRO A 46 -12.014 -0.167 -10.174 1.00 0.00 C ATOM 683 C PRO A 46 -10.557 -0.288 -10.466 1.00 0.00 C ATOM 684 O PRO A 46 -10.138 -1.203 -11.218 1.00 0.00 O ATOM 685 CB PRO A 46 -12.598 0.961 -11.002 1.00 0.00 C ATOM 686 CG PRO A 46 -13.250 1.831 -10.047 1.00 0.00 C ATOM 687 CD PRO A 46 -12.530 1.663 -8.780 1.00 0.00 C ATOM 0 HA PRO A 46 -12.474 -1.133 -10.380 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.820 1.491 -11.551 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.307 0.583 -11.739 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.216 2.869 -10.379 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.302 1.567 -9.935 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.636 2.285 -8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.147 1.925 -7.921 1.00 0.00 H new ATOM 695 N ILE A 47 -9.731 0.607 -9.839 1.00 0.00 N ATOM 696 CA ILE A 47 -8.320 0.513 -10.061 1.00 0.00 C ATOM 697 C ILE A 47 -7.858 -0.851 -9.536 1.00 0.00 C ATOM 698 O ILE A 47 -7.016 -1.482 -10.117 1.00 0.00 O ATOM 699 CB ILE A 47 -7.519 1.714 -9.411 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.291 2.098 -10.265 1.00 0.00 C ATOM 701 CG2 ILE A 47 -7.081 1.426 -7.975 1.00 0.00 C ATOM 702 CD1 ILE A 47 -5.236 1.018 -10.437 1.00 0.00 C ATOM 0 H ILE A 47 -10.033 1.353 -9.213 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.110 0.590 -11.128 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.212 2.555 -9.382 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.640 2.398 -11.253 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.819 2.971 -9.815 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.537 2.284 -7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.959 1.239 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.434 0.549 -7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.422 1.399 -11.054 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.847 0.730 -9.460 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.681 0.148 -10.921 1.00 0.00 H new ATOM 714 N ALA A 48 -8.562 -1.361 -8.538 1.00 0.00 N ATOM 715 CA ALA A 48 -8.157 -2.624 -7.931 1.00 0.00 C ATOM 716 C ALA A 48 -8.853 -3.764 -8.574 1.00 0.00 C ATOM 717 O ALA A 48 -8.409 -4.860 -8.480 1.00 0.00 O ATOM 718 CB ALA A 48 -8.387 -2.652 -6.446 1.00 0.00 C ATOM 0 H ALA A 48 -9.397 -0.934 -8.137 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.084 -2.717 -8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.068 -3.615 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.813 -1.855 -5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.447 -2.507 -6.239 1.00 0.00 H new ATOM 724 N GLU A 49 -9.951 -3.506 -9.237 1.00 0.00 N ATOM 725 CA GLU A 49 -10.625 -4.506 -9.979 1.00 0.00 C ATOM 726 C GLU A 49 -9.763 -4.846 -11.197 1.00 0.00 C ATOM 727 O GLU A 49 -9.892 -5.904 -11.804 1.00 0.00 O ATOM 728 CB GLU A 49 -11.947 -3.958 -10.438 1.00 0.00 C ATOM 729 CG GLU A 49 -13.037 -4.973 -10.415 1.00 0.00 C ATOM 730 CD GLU A 49 -14.267 -4.545 -11.165 1.00 0.00 C ATOM 731 OE1 GLU A 49 -14.979 -3.641 -10.720 1.00 0.00 O ATOM 732 OE2 GLU A 49 -14.526 -5.099 -12.255 1.00 0.00 O ATOM 0 H GLU A 49 -10.394 -2.588 -9.269 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.792 -5.397 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.227 -3.118 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.841 -3.569 -11.451 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.665 -5.904 -10.843 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.306 -5.183 -9.380 1.00 0.00 H new ATOM 739 N ALA A 50 -8.857 -3.928 -11.516 1.00 0.00 N ATOM 740 CA ALA A 50 -7.939 -4.078 -12.619 1.00 0.00 C ATOM 741 C ALA A 50 -6.736 -4.904 -12.202 1.00 0.00 C ATOM 742 O ALA A 50 -5.969 -5.388 -13.038 1.00 0.00 O ATOM 743 CB ALA A 50 -7.471 -2.711 -13.046 1.00 0.00 C ATOM 0 H ALA A 50 -8.745 -3.052 -11.005 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.446 -4.585 -13.440 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.776 -2.808 -13.880 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.328 -2.113 -13.356 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.970 -2.221 -12.211 1.00 0.00 H new ATOM 749 N GLN A 51 -6.594 -5.077 -10.917 1.00 0.00 N ATOM 750 CA GLN A 51 -5.445 -5.701 -10.341 1.00 0.00 C ATOM 751 C GLN A 51 -5.816 -6.488 -9.094 1.00 0.00 C ATOM 752 O GLN A 51 -5.018 -6.676 -8.181 1.00 0.00 O ATOM 753 CB GLN A 51 -4.409 -4.622 -10.096 1.00 0.00 C ATOM 754 CG GLN A 51 -4.876 -3.384 -9.410 1.00 0.00 C ATOM 755 CD GLN A 51 -3.764 -2.389 -9.260 1.00 0.00 C ATOM 756 OE1 GLN A 51 -2.877 -2.359 -10.205 1.00 0.00 O flip ATOM 757 NE2 GLN A 51 -3.714 -1.627 -8.333 1.00 0.00 N flip ATOM 0 H GLN A 51 -7.289 -4.781 -10.232 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.018 -6.440 -11.019 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.602 -5.054 -9.504 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.982 -4.337 -11.057 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.692 -2.937 -9.978 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.274 -3.639 -8.428 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.422 -1.668 -7.600 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.963 -0.939 -8.278 1.00 0.00 H new ATOM 766 N ARG A 52 -6.991 -7.082 -9.172 1.00 0.00 N ATOM 767 CA ARG A 52 -7.636 -7.798 -8.091 1.00 0.00 C ATOM 768 C ARG A 52 -6.974 -9.146 -7.857 1.00 0.00 C ATOM 769 O ARG A 52 -7.094 -9.747 -6.785 1.00 0.00 O ATOM 770 CB ARG A 52 -9.138 -7.940 -8.421 1.00 0.00 C ATOM 771 CG ARG A 52 -9.452 -8.748 -9.673 1.00 0.00 C ATOM 772 CD ARG A 52 -10.897 -8.562 -10.127 1.00 0.00 C ATOM 773 NE ARG A 52 -11.911 -9.080 -9.182 1.00 0.00 N ATOM 774 CZ ARG A 52 -13.225 -9.232 -9.485 1.00 0.00 C ATOM 775 NH1 ARG A 52 -13.681 -8.866 -10.679 1.00 0.00 N ATOM 776 NH2 ARG A 52 -14.078 -9.748 -8.590 1.00 0.00 N ATOM 0 H ARG A 52 -7.545 -7.078 -10.028 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.530 -7.239 -7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.638 -8.406 -7.572 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.565 -6.943 -8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.778 -8.448 -10.476 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.266 -9.804 -9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.079 -7.500 -10.289 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.029 -9.058 -11.089 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.603 -9.339 -8.245 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.043 -8.470 -11.369 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.669 -8.981 -10.905 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.742 -10.031 -7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.064 -9.857 -8.829 1.00 0.00 H new ATOM 790 N GLY A 53 -6.258 -9.600 -8.854 1.00 0.00 N ATOM 791 CA GLY A 53 -5.560 -10.841 -8.757 1.00 0.00 C ATOM 792 C GLY A 53 -4.071 -10.636 -8.776 1.00 0.00 C ATOM 793 O GLY A 53 -3.320 -11.546 -9.104 1.00 0.00 O ATOM 0 H GLY A 53 -6.147 -9.119 -9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.847 -11.351 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.850 -11.489 -9.584 1.00 0.00 H new ATOM 797 N VAL A 54 -3.633 -9.438 -8.451 1.00 0.00 N ATOM 798 CA VAL A 54 -2.206 -9.168 -8.411 1.00 0.00 C ATOM 799 C VAL A 54 -1.831 -8.284 -7.217 1.00 0.00 C ATOM 800 O VAL A 54 -0.758 -8.435 -6.644 1.00 0.00 O ATOM 801 CB VAL A 54 -1.650 -8.604 -9.769 1.00 0.00 C ATOM 802 CG1 VAL A 54 -2.242 -7.262 -10.122 1.00 0.00 C ATOM 803 CG2 VAL A 54 -0.127 -8.549 -9.773 1.00 0.00 C ATOM 0 H VAL A 54 -4.230 -8.646 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.714 -10.130 -8.267 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.963 -9.304 -10.544 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.825 -6.918 -11.068 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.324 -7.355 -10.215 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.006 -6.543 -9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.220 -8.154 -10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.216 -7.901 -8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.274 -9.552 -9.628 1.00 0.00 H new ATOM 813 N ILE A 55 -2.702 -7.375 -6.833 1.00 0.00 N ATOM 814 CA ILE A 55 -2.433 -6.563 -5.662 1.00 0.00 C ATOM 815 C ILE A 55 -3.577 -6.681 -4.671 1.00 0.00 C ATOM 816 O ILE A 55 -4.746 -6.624 -5.048 1.00 0.00 O ATOM 817 CB ILE A 55 -2.157 -5.073 -6.019 1.00 0.00 C ATOM 818 CG1 ILE A 55 -0.934 -4.973 -6.910 1.00 0.00 C ATOM 819 CG2 ILE A 55 -1.895 -4.277 -4.755 1.00 0.00 C ATOM 820 CD1 ILE A 55 -0.651 -3.576 -7.442 1.00 0.00 C ATOM 0 H ILE A 55 -3.586 -7.181 -7.303 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.521 -6.945 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.030 -4.674 -6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.064 -5.318 -6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.059 -5.651 -7.754 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.703 -3.236 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.766 -4.334 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.028 -4.689 -4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.241 -3.599 -8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.501 -3.232 -8.032 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.490 -2.894 -6.607 1.00 0.00 H new ATOM 832 N ASN A 56 -3.243 -6.861 -3.412 1.00 0.00 N ATOM 833 CA ASN A 56 -4.236 -7.032 -2.385 1.00 0.00 C ATOM 834 C ASN A 56 -4.579 -5.690 -1.799 1.00 0.00 C ATOM 835 O ASN A 56 -3.839 -5.183 -0.984 1.00 0.00 O ATOM 836 CB ASN A 56 -3.709 -7.883 -1.233 1.00 0.00 C ATOM 837 CG ASN A 56 -3.129 -9.223 -1.605 1.00 0.00 C ATOM 838 OD1 ASN A 56 -1.840 -9.253 -1.838 1.00 0.00 O flip ATOM 839 ND2 ASN A 56 -3.829 -10.232 -1.663 1.00 0.00 N flip ATOM 0 H ASN A 56 -2.280 -6.892 -3.077 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.098 -7.516 -2.845 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.943 -7.312 -0.708 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.524 -8.047 -0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.830 -10.170 -1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.409 -11.131 -1.899 1.00 0.00 H new ATOM 846 N PHE A 57 -5.631 -5.087 -2.241 1.00 0.00 N ATOM 847 CA PHE A 57 -6.061 -3.832 -1.656 1.00 0.00 C ATOM 848 C PHE A 57 -6.742 -4.051 -0.338 1.00 0.00 C ATOM 849 O PHE A 57 -7.564 -4.930 -0.190 1.00 0.00 O ATOM 850 CB PHE A 57 -6.949 -3.010 -2.593 1.00 0.00 C ATOM 851 CG PHE A 57 -6.202 -2.308 -3.670 1.00 0.00 C ATOM 852 CD1 PHE A 57 -5.524 -3.016 -4.637 1.00 0.00 C ATOM 853 CD2 PHE A 57 -6.177 -0.927 -3.712 1.00 0.00 C ATOM 854 CE1 PHE A 57 -4.831 -2.360 -5.619 1.00 0.00 C ATOM 855 CE2 PHE A 57 -5.486 -0.267 -4.695 1.00 0.00 C ATOM 856 CZ PHE A 57 -4.812 -0.979 -5.647 1.00 0.00 C ATOM 0 H PHE A 57 -6.217 -5.430 -3.002 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.155 -3.249 -1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.689 -3.669 -3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.497 -2.274 -2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.539 -4.096 -4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.708 -0.361 -2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.299 -2.923 -6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.474 0.813 -4.717 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.265 -0.462 -6.421 1.00 0.00 H new ATOM 866 N GLY A 58 -6.344 -3.310 0.605 1.00 0.00 N ATOM 867 CA GLY A 58 -6.922 -3.330 1.876 1.00 0.00 C ATOM 868 C GLY A 58 -6.955 -1.958 2.484 1.00 0.00 C ATOM 869 O GLY A 58 -5.928 -1.293 2.597 1.00 0.00 O ATOM 0 H GLY A 58 -5.576 -2.646 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.936 -3.725 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.359 -4.003 2.523 1.00 0.00 H new ATOM 873 N THR A 59 -8.106 -1.530 2.842 1.00 0.00 N ATOM 874 CA THR A 59 -8.281 -0.270 3.485 1.00 0.00 C ATOM 875 C THR A 59 -8.092 -0.438 4.988 1.00 0.00 C ATOM 876 O THR A 59 -8.554 -1.432 5.583 1.00 0.00 O ATOM 877 CB THR A 59 -9.665 0.323 3.151 1.00 0.00 C ATOM 878 OG1 THR A 59 -10.699 -0.638 3.454 1.00 0.00 O ATOM 879 CG2 THR A 59 -9.734 0.674 1.678 1.00 0.00 C ATOM 0 H THR A 59 -8.972 -2.049 2.697 1.00 0.00 H new ATOM 0 HA THR A 59 -7.532 0.432 3.118 1.00 0.00 H new ATOM 0 HB THR A 59 -9.814 1.222 3.750 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.575 -0.254 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.714 1.092 1.449 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.963 1.407 1.442 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.575 -0.225 1.082 1.00 0.00 H new ATOM 887 N ILE A 60 -7.385 0.469 5.585 1.00 0.00 N ATOM 888 CA ILE A 60 -7.082 0.402 6.976 1.00 0.00 C ATOM 889 C ILE A 60 -7.158 1.799 7.569 1.00 0.00 C ATOM 890 O ILE A 60 -6.867 2.780 6.897 1.00 0.00 O ATOM 891 CB ILE A 60 -5.689 -0.257 7.186 1.00 0.00 C ATOM 892 CG1 ILE A 60 -5.315 -0.339 8.667 1.00 0.00 C ATOM 893 CG2 ILE A 60 -4.611 0.440 6.372 1.00 0.00 C ATOM 894 CD1 ILE A 60 -3.951 -0.921 8.908 1.00 0.00 C ATOM 0 H ILE A 60 -6.998 1.286 5.113 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.810 -0.222 7.494 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.761 -1.281 6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.357 0.660 9.100 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.057 -0.944 9.188 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.652 -0.048 6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.861 0.384 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.546 1.485 6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.752 -0.949 9.979 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.911 -1.933 8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.200 -0.304 8.415 1.00 0.00 H new ATOM 906 N ASP A 61 -7.594 1.878 8.789 1.00 0.00 N ATOM 907 CA ASP A 61 -7.791 3.144 9.461 1.00 0.00 C ATOM 908 C ASP A 61 -6.453 3.766 9.829 1.00 0.00 C ATOM 909 O ASP A 61 -5.636 3.126 10.496 1.00 0.00 O ATOM 910 CB ASP A 61 -8.585 2.921 10.728 1.00 0.00 C ATOM 911 CG ASP A 61 -9.074 4.179 11.322 1.00 0.00 C ATOM 912 OD1 ASP A 61 -8.316 4.850 11.966 1.00 0.00 O ATOM 913 OD2 ASP A 61 -10.247 4.516 11.108 1.00 0.00 O ATOM 0 H ASP A 61 -7.827 1.064 9.358 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.327 3.814 8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.434 2.273 10.511 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.963 2.399 11.455 1.00 0.00 H new ATOM 918 N ALA A 62 -6.237 5.011 9.432 1.00 0.00 N ATOM 919 CA ALA A 62 -4.975 5.689 9.726 1.00 0.00 C ATOM 920 C ALA A 62 -4.973 6.352 11.097 1.00 0.00 C ATOM 921 O ALA A 62 -3.974 6.951 11.501 1.00 0.00 O ATOM 922 CB ALA A 62 -4.616 6.702 8.658 1.00 0.00 C ATOM 0 H ALA A 62 -6.910 5.572 8.910 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.214 4.909 9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.672 7.183 8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.516 6.198 7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.401 7.456 8.593 1.00 0.00 H new ATOM 928 N LYS A 63 -6.053 6.238 11.815 1.00 0.00 N ATOM 929 CA LYS A 63 -6.133 6.820 13.127 1.00 0.00 C ATOM 930 C LYS A 63 -5.950 5.729 14.172 1.00 0.00 C ATOM 931 O LYS A 63 -5.218 5.903 15.151 1.00 0.00 O ATOM 932 CB LYS A 63 -7.479 7.538 13.315 1.00 0.00 C ATOM 933 CG LYS A 63 -7.696 8.148 14.697 1.00 0.00 C ATOM 934 CD LYS A 63 -6.672 9.228 15.023 1.00 0.00 C ATOM 935 CE LYS A 63 -6.893 9.825 16.414 1.00 0.00 C ATOM 936 NZ LYS A 63 -8.225 10.456 16.558 1.00 0.00 N ATOM 0 H LYS A 63 -6.894 5.746 11.514 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.342 7.560 13.244 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.560 8.328 12.569 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.283 6.829 13.117 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.698 8.574 14.750 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.643 7.362 15.450 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.669 8.806 14.965 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.729 10.019 14.275 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.784 9.041 17.163 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.120 10.567 16.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.262 10.989 17.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.391 11.103 15.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.959 9.719 16.564 1.00 0.00 H new ATOM 950 N ALA A 64 -6.577 4.597 13.942 1.00 0.00 N ATOM 951 CA ALA A 64 -6.527 3.506 14.858 1.00 0.00 C ATOM 952 C ALA A 64 -5.309 2.668 14.590 1.00 0.00 C ATOM 953 O ALA A 64 -4.505 2.420 15.493 1.00 0.00 O ATOM 954 CB ALA A 64 -7.797 2.668 14.765 1.00 0.00 C ATOM 0 H ALA A 64 -7.135 4.418 13.107 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.461 3.899 15.872 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.739 1.840 15.472 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.661 3.289 15.003 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.900 2.275 13.754 1.00 0.00 H new ATOM 960 N PHE A 65 -5.125 2.269 13.341 1.00 0.00 N ATOM 961 CA PHE A 65 -4.032 1.417 13.012 1.00 0.00 C ATOM 962 C PHE A 65 -3.016 2.152 12.146 1.00 0.00 C ATOM 963 O PHE A 65 -2.153 1.535 11.531 1.00 0.00 O ATOM 964 CB PHE A 65 -4.528 0.185 12.270 1.00 0.00 C ATOM 965 CG PHE A 65 -5.572 -0.628 12.991 1.00 0.00 C ATOM 966 CD1 PHE A 65 -5.207 -1.567 13.940 1.00 0.00 C ATOM 967 CD2 PHE A 65 -6.920 -0.455 12.708 1.00 0.00 C ATOM 968 CE1 PHE A 65 -6.166 -2.316 14.597 1.00 0.00 C ATOM 969 CE2 PHE A 65 -7.881 -1.200 13.360 1.00 0.00 C ATOM 970 CZ PHE A 65 -7.504 -2.134 14.306 1.00 0.00 C ATOM 0 H PHE A 65 -5.722 2.528 12.556 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.551 1.112 13.942 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.937 0.500 11.310 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.674 -0.458 12.057 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.162 -1.716 14.170 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.220 0.272 11.968 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.869 -3.043 15.338 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.926 -1.053 13.131 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.254 -2.720 14.817 1.00 0.00 H new ATOM 980 N GLY A 66 -3.083 3.467 12.155 1.00 0.00 N ATOM 981 CA GLY A 66 -2.258 4.268 11.271 1.00 0.00 C ATOM 982 C GLY A 66 -0.785 4.168 11.516 1.00 0.00 C ATOM 983 O GLY A 66 0.000 4.427 10.610 1.00 0.00 O ATOM 0 H GLY A 66 -3.700 4.005 12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.461 3.971 10.242 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.557 5.312 11.367 1.00 0.00 H new ATOM 987 N ALA A 67 -0.409 3.782 12.723 1.00 0.00 N ATOM 988 CA ALA A 67 0.985 3.571 13.090 1.00 0.00 C ATOM 989 C ALA A 67 1.664 2.613 12.113 1.00 0.00 C ATOM 990 O ALA A 67 2.820 2.814 11.729 1.00 0.00 O ATOM 991 CB ALA A 67 1.075 3.019 14.505 1.00 0.00 C ATOM 0 H ALA A 67 -1.066 3.604 13.483 1.00 0.00 H new ATOM 0 HA ALA A 67 1.500 4.531 13.046 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.121 2.865 14.770 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.625 3.727 15.201 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.543 2.069 14.559 1.00 0.00 H new ATOM 997 N HIS A 68 0.899 1.633 11.636 1.00 0.00 N ATOM 998 CA HIS A 68 1.401 0.608 10.734 1.00 0.00 C ATOM 999 C HIS A 68 1.866 1.190 9.393 1.00 0.00 C ATOM 1000 O HIS A 68 2.713 0.597 8.718 1.00 0.00 O ATOM 1001 CB HIS A 68 0.362 -0.511 10.512 1.00 0.00 C ATOM 1002 CG HIS A 68 0.049 -1.320 11.737 1.00 0.00 C ATOM 1003 ND1 HIS A 68 0.637 -2.526 12.035 1.00 0.00 N ATOM 1004 CD2 HIS A 68 -0.821 -1.074 12.747 1.00 0.00 C ATOM 1005 CE1 HIS A 68 0.127 -2.968 13.182 1.00 0.00 C ATOM 1006 NE2 HIS A 68 -0.772 -2.118 13.663 1.00 0.00 N ATOM 0 H HIS A 68 -0.089 1.530 11.867 1.00 0.00 H new ATOM 0 HA HIS A 68 2.273 0.170 11.219 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.561 -0.065 10.141 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.728 -1.180 9.733 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.454 -0.202 12.827 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.407 -3.896 13.659 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.312 -2.211 14.523 1.00 0.00 H new ATOM 1014 N ALA A 69 1.358 2.381 9.039 1.00 0.00 N ATOM 1015 CA ALA A 69 1.718 3.035 7.774 1.00 0.00 C ATOM 1016 C ALA A 69 3.161 3.395 7.802 1.00 0.00 C ATOM 1017 O ALA A 69 3.878 3.273 6.820 1.00 0.00 O ATOM 1018 CB ALA A 69 0.879 4.285 7.535 1.00 0.00 C ATOM 0 H ALA A 69 0.698 2.909 9.611 1.00 0.00 H new ATOM 0 HA ALA A 69 1.521 2.339 6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.171 4.744 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.176 4.013 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.041 4.993 8.348 1.00 0.00 H new ATOM 1024 N GLY A 70 3.599 3.832 8.926 1.00 0.00 N ATOM 1025 CA GLY A 70 4.994 4.148 9.031 1.00 0.00 C ATOM 1026 C GLY A 70 5.805 3.149 9.755 1.00 0.00 C ATOM 1027 O GLY A 70 6.976 3.368 9.991 1.00 0.00 O ATOM 0 H GLY A 70 3.041 3.979 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.401 4.266 8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.097 5.110 9.532 1.00 0.00 H new ATOM 1031 N ASN A 71 5.189 2.035 10.108 1.00 0.00 N ATOM 1032 CA ASN A 71 5.967 0.884 10.549 1.00 0.00 C ATOM 1033 C ASN A 71 6.693 0.397 9.326 1.00 0.00 C ATOM 1034 O ASN A 71 7.826 -0.078 9.381 1.00 0.00 O ATOM 1035 CB ASN A 71 5.087 -0.253 11.089 1.00 0.00 C ATOM 1036 CG ASN A 71 4.678 -0.144 12.553 1.00 0.00 C ATOM 1037 OD1 ASN A 71 4.461 -1.162 13.210 1.00 0.00 O ATOM 1038 ND2 ASN A 71 4.565 1.039 13.074 1.00 0.00 N ATOM 0 H ASN A 71 4.178 1.900 10.100 1.00 0.00 H new ATOM 0 HA ASN A 71 6.631 1.176 11.363 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.183 -0.305 10.483 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.619 -1.194 10.950 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.290 1.142 14.051 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.751 1.866 12.507 1.00 0.00 H new ATOM 1045 N LEU A 72 6.024 0.572 8.199 1.00 0.00 N ATOM 1046 CA LEU A 72 6.581 0.252 6.938 1.00 0.00 C ATOM 1047 C LEU A 72 7.325 1.486 6.376 1.00 0.00 C ATOM 1048 O LEU A 72 8.381 1.335 5.789 1.00 0.00 O ATOM 1049 CB LEU A 72 5.463 -0.281 5.977 1.00 0.00 C ATOM 1050 CG LEU A 72 4.456 0.731 5.398 1.00 0.00 C ATOM 1051 CD1 LEU A 72 4.959 1.344 4.108 1.00 0.00 C ATOM 1052 CD2 LEU A 72 3.097 0.122 5.178 1.00 0.00 C ATOM 0 H LEU A 72 5.075 0.943 8.155 1.00 0.00 H new ATOM 0 HA LEU A 72 7.314 -0.549 7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.953 -0.779 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.898 -1.043 6.514 1.00 0.00 H new ATOM 0 HG LEU A 72 4.356 1.519 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.222 2.052 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.899 1.863 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.119 0.558 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.423 0.875 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.180 -0.710 4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.703 -0.241 6.127 1.00 0.00 H new ATOM 1064 N ASN A 73 6.778 2.728 6.593 1.00 0.00 N ATOM 1065 CA ASN A 73 7.420 3.939 6.001 1.00 0.00 C ATOM 1066 C ASN A 73 6.865 5.300 6.457 1.00 0.00 C ATOM 1067 O ASN A 73 7.602 6.121 7.015 1.00 0.00 O ATOM 1068 CB ASN A 73 7.217 3.872 4.527 1.00 0.00 C ATOM 1069 CG ASN A 73 7.976 4.904 3.718 1.00 0.00 C ATOM 1070 OD1 ASN A 73 7.506 6.017 3.513 1.00 0.00 O ATOM 1071 ND2 ASN A 73 9.105 4.522 3.204 1.00 0.00 N ATOM 0 H ASN A 73 5.939 2.907 7.144 1.00 0.00 H new ATOM 0 HA ASN A 73 8.458 3.907 6.333 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.508 2.880 4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.153 3.983 4.319 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.634 5.157 2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.463 3.587 3.398 1.00 0.00 H new ATOM 1078 N LEU A 74 5.569 5.520 6.200 1.00 0.00 N ATOM 1079 CA LEU A 74 4.927 6.853 6.290 1.00 0.00 C ATOM 1080 C LEU A 74 5.050 7.564 7.643 1.00 0.00 C ATOM 1081 O LEU A 74 5.418 6.986 8.647 1.00 0.00 O ATOM 1082 CB LEU A 74 3.451 6.847 5.812 1.00 0.00 C ATOM 1083 CG LEU A 74 3.172 6.460 4.336 1.00 0.00 C ATOM 1084 CD1 LEU A 74 4.122 7.156 3.375 1.00 0.00 C ATOM 1085 CD2 LEU A 74 3.161 4.958 4.142 1.00 0.00 C ATOM 0 H LEU A 74 4.926 4.779 5.922 1.00 0.00 H new ATOM 0 HA LEU A 74 5.520 7.448 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.895 6.160 6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.040 7.842 5.981 1.00 0.00 H new ATOM 0 HG LEU A 74 2.171 6.817 4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.890 6.856 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.009 8.236 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.149 6.876 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.962 4.728 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.130 4.547 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.383 4.516 4.765 1.00 0.00 H new ATOM 1097 N LYS A 75 4.703 8.823 7.643 1.00 0.00 N ATOM 1098 CA LYS A 75 4.839 9.676 8.805 1.00 0.00 C ATOM 1099 C LYS A 75 3.648 9.510 9.782 1.00 0.00 C ATOM 1100 O LYS A 75 3.718 9.882 10.952 1.00 0.00 O ATOM 1101 CB LYS A 75 4.996 11.117 8.324 1.00 0.00 C ATOM 1102 CG LYS A 75 5.094 12.132 9.422 1.00 0.00 C ATOM 1103 CD LYS A 75 6.354 11.987 10.250 1.00 0.00 C ATOM 1104 CE LYS A 75 7.612 12.308 9.458 1.00 0.00 C ATOM 1105 NZ LYS A 75 8.815 12.132 10.287 1.00 0.00 N ATOM 0 H LYS A 75 4.312 9.296 6.828 1.00 0.00 H new ATOM 0 HA LYS A 75 5.724 9.388 9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.890 11.184 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.147 11.369 7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.063 13.132 8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.225 12.040 10.073 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.295 12.648 11.115 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.419 10.968 10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.671 11.660 8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.564 13.334 9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.660 12.357 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.767 12.768 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.870 11.147 10.615 1.00 0.00 H new ATOM 1119 N THR A 76 2.589 8.922 9.263 1.00 0.00 N ATOM 1120 CA THR A 76 1.318 8.579 9.985 1.00 0.00 C ATOM 1121 C THR A 76 0.593 9.825 10.548 1.00 0.00 C ATOM 1122 O THR A 76 -0.241 9.717 11.447 1.00 0.00 O ATOM 1123 CB THR A 76 1.564 7.559 11.161 1.00 0.00 C ATOM 1124 OG1 THR A 76 2.240 8.186 12.264 1.00 0.00 O ATOM 1125 CG2 THR A 76 2.411 6.392 10.696 1.00 0.00 C ATOM 0 H THR A 76 2.560 8.645 8.282 1.00 0.00 H new ATOM 0 HA THR A 76 0.679 8.117 9.232 1.00 0.00 H new ATOM 0 HB THR A 76 0.583 7.207 11.482 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.704 8.990 11.949 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.567 5.702 11.525 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.902 5.874 9.884 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.375 6.760 10.344 1.00 0.00 H new ATOM 1133 N ASP A 77 0.880 10.968 9.990 1.00 0.00 N ATOM 1134 CA ASP A 77 0.401 12.237 10.522 1.00 0.00 C ATOM 1135 C ASP A 77 -0.689 12.880 9.681 1.00 0.00 C ATOM 1136 O ASP A 77 -1.468 13.691 10.188 1.00 0.00 O ATOM 1137 CB ASP A 77 1.567 13.213 10.551 1.00 0.00 C ATOM 1138 CG ASP A 77 2.054 13.569 9.150 1.00 0.00 C ATOM 1139 OD1 ASP A 77 2.236 12.638 8.308 1.00 0.00 O ATOM 1140 OD2 ASP A 77 2.263 14.765 8.863 1.00 0.00 O ATOM 0 H ASP A 77 1.453 11.058 9.151 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.013 12.025 11.508 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.265 14.122 11.071 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.389 12.778 11.120 1.00 0.00 H new ATOM 1145 N LYS A 78 -0.750 12.551 8.423 1.00 0.00 N ATOM 1146 CA LYS A 78 -1.601 13.293 7.525 1.00 0.00 C ATOM 1147 C LYS A 78 -2.856 12.477 7.147 1.00 0.00 C ATOM 1148 O LYS A 78 -3.206 11.515 7.843 1.00 0.00 O ATOM 1149 CB LYS A 78 -0.748 13.693 6.301 1.00 0.00 C ATOM 1150 CG LYS A 78 -1.146 15.004 5.602 1.00 0.00 C ATOM 1151 CD LYS A 78 -1.073 16.220 6.530 1.00 0.00 C ATOM 1152 CE LYS A 78 0.348 16.505 7.031 1.00 0.00 C ATOM 1153 NZ LYS A 78 1.277 16.920 5.951 1.00 0.00 N ATOM 0 H LYS A 78 -0.230 11.785 7.995 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.980 14.196 8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.292 13.775 6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.796 12.886 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.491 15.167 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.160 14.910 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.449 17.096 6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.729 16.057 7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.309 17.288 7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.741 15.612 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.238 17.016 6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.276 16.203 5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.969 17.833 5.560 1.00 0.00 H new ATOM 1167 N PHE A 79 -3.513 12.885 6.063 1.00 0.00 N ATOM 1168 CA PHE A 79 -4.746 12.282 5.550 1.00 0.00 C ATOM 1169 C PHE A 79 -4.404 10.894 4.899 1.00 0.00 C ATOM 1170 O PHE A 79 -3.263 10.452 5.070 1.00 0.00 O ATOM 1171 CB PHE A 79 -5.377 13.293 4.567 1.00 0.00 C ATOM 1172 CG PHE A 79 -5.657 14.635 5.190 1.00 0.00 C ATOM 1173 CD1 PHE A 79 -6.645 14.768 6.153 1.00 0.00 C ATOM 1174 CD2 PHE A 79 -4.933 15.755 4.822 1.00 0.00 C ATOM 1175 CE1 PHE A 79 -6.906 15.991 6.736 1.00 0.00 C ATOM 1176 CE2 PHE A 79 -5.189 16.981 5.401 1.00 0.00 C ATOM 1177 CZ PHE A 79 -6.176 17.100 6.360 1.00 0.00 C ATOM 0 H PHE A 79 -3.193 13.671 5.497 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.475 12.078 6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.709 13.427 3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.308 12.879 4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -7.218 13.903 6.451 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.159 15.669 4.074 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.679 16.080 7.484 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.617 17.848 5.104 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.376 18.059 6.815 1.00 0.00 H new ATOM 1187 N PRO A 80 -5.351 10.140 4.179 1.00 0.00 N ATOM 1188 CA PRO A 80 -5.022 8.811 3.672 1.00 0.00 C ATOM 1189 C PRO A 80 -3.684 8.696 2.935 1.00 0.00 C ATOM 1190 O PRO A 80 -3.327 9.528 2.090 1.00 0.00 O ATOM 1191 CB PRO A 80 -6.205 8.389 2.796 1.00 0.00 C ATOM 1192 CG PRO A 80 -7.074 9.565 2.676 1.00 0.00 C ATOM 1193 CD PRO A 80 -6.764 10.479 3.826 1.00 0.00 C ATOM 0 HA PRO A 80 -4.873 8.140 4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.863 8.058 1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.742 7.554 3.245 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.902 10.072 1.727 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.123 9.269 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.865 11.527 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.438 10.309 4.665 1.00 0.00 H new ATOM 1201 N ALA A 81 -2.969 7.671 3.299 1.00 0.00 N ATOM 1202 CA ALA A 81 -1.673 7.376 2.807 1.00 0.00 C ATOM 1203 C ALA A 81 -1.685 5.962 2.253 1.00 0.00 C ATOM 1204 O ALA A 81 -2.030 5.005 2.954 1.00 0.00 O ATOM 1205 CB ALA A 81 -0.665 7.508 3.939 1.00 0.00 C ATOM 0 H ALA A 81 -3.300 6.990 3.982 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.390 8.069 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.334 7.282 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.685 8.526 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.920 6.810 4.737 1.00 0.00 H new ATOM 1211 N PHE A 82 -1.344 5.841 1.015 1.00 0.00 N ATOM 1212 CA PHE A 82 -1.379 4.576 0.322 1.00 0.00 C ATOM 1213 C PHE A 82 0.007 3.927 0.327 1.00 0.00 C ATOM 1214 O PHE A 82 0.944 4.483 -0.197 1.00 0.00 O ATOM 1215 CB PHE A 82 -1.873 4.842 -1.100 1.00 0.00 C ATOM 1216 CG PHE A 82 -1.972 3.654 -1.986 1.00 0.00 C ATOM 1217 CD1 PHE A 82 -2.919 2.698 -1.754 1.00 0.00 C ATOM 1218 CD2 PHE A 82 -1.143 3.523 -3.081 1.00 0.00 C ATOM 1219 CE1 PHE A 82 -3.050 1.623 -2.584 1.00 0.00 C ATOM 1220 CE2 PHE A 82 -1.259 2.448 -3.915 1.00 0.00 C ATOM 1221 CZ PHE A 82 -2.216 1.492 -3.669 1.00 0.00 C ATOM 0 H PHE A 82 -1.028 6.621 0.439 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.054 3.879 0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.856 5.310 -1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.204 5.565 -1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.574 2.794 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.396 4.277 -3.280 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.807 0.877 -2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.601 2.349 -4.766 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.312 0.640 -4.326 1.00 0.00 H new ATOM 1231 N ALA A 83 0.135 2.778 0.937 1.00 0.00 N ATOM 1232 CA ALA A 83 1.407 2.104 1.012 1.00 0.00 C ATOM 1233 C ALA A 83 1.367 0.741 0.351 1.00 0.00 C ATOM 1234 O ALA A 83 0.569 -0.091 0.715 1.00 0.00 O ATOM 1235 CB ALA A 83 1.802 1.958 2.447 1.00 0.00 C ATOM 0 H ALA A 83 -0.633 2.285 1.393 1.00 0.00 H new ATOM 0 HA ALA A 83 2.140 2.706 0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.764 1.449 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.883 2.944 2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.047 1.375 2.975 1.00 0.00 H new ATOM 1241 N ILE A 84 2.212 0.513 -0.620 1.00 0.00 N ATOM 1242 CA ILE A 84 2.268 -0.784 -1.253 1.00 0.00 C ATOM 1243 C ILE A 84 3.350 -1.611 -0.607 1.00 0.00 C ATOM 1244 O ILE A 84 4.526 -1.258 -0.661 1.00 0.00 O ATOM 1245 CB ILE A 84 2.546 -0.701 -2.766 1.00 0.00 C ATOM 1246 CG1 ILE A 84 1.573 0.259 -3.450 1.00 0.00 C ATOM 1247 CG2 ILE A 84 2.449 -2.095 -3.395 1.00 0.00 C ATOM 1248 CD1 ILE A 84 1.887 0.507 -4.908 1.00 0.00 C ATOM 0 H ILE A 84 2.868 1.201 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 84 1.288 -1.244 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 84 3.556 -0.316 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.563 -0.142 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.582 1.211 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.647 -2.026 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.183 -2.755 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.448 -2.497 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.154 1.198 -5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.884 0.938 -4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.849 -0.436 -5.454 1.00 0.00 H new ATOM 1260 N GLN A 85 2.965 -2.682 0.011 1.00 0.00 N ATOM 1261 CA GLN A 85 3.909 -3.557 0.600 1.00 0.00 C ATOM 1262 C GLN A 85 4.016 -4.809 -0.233 1.00 0.00 C ATOM 1263 O GLN A 85 3.039 -5.497 -0.455 1.00 0.00 O ATOM 1264 CB GLN A 85 3.530 -3.946 2.015 1.00 0.00 C ATOM 1265 CG GLN A 85 4.553 -4.876 2.620 1.00 0.00 C ATOM 1266 CD GLN A 85 4.167 -5.487 3.937 1.00 0.00 C ATOM 1267 OE1 GLN A 85 3.444 -4.909 4.756 1.00 0.00 O ATOM 1268 NE2 GLN A 85 4.634 -6.675 4.129 1.00 0.00 N ATOM 0 H GLN A 85 1.992 -2.968 0.118 1.00 0.00 H new ATOM 0 HA GLN A 85 4.862 -3.029 0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.441 -3.050 2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.553 -4.429 2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.754 -5.679 1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.485 -4.327 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.227 -7.110 3.422 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.410 -7.179 4.987 1.00 0.00 H new ATOM 1277 N GLU A 86 5.184 -5.100 -0.684 1.00 0.00 N ATOM 1278 CA GLU A 86 5.405 -6.306 -1.430 1.00 0.00 C ATOM 1279 C GLU A 86 5.550 -7.475 -0.521 1.00 0.00 C ATOM 1280 O GLU A 86 6.021 -7.341 0.600 1.00 0.00 O ATOM 1281 CB GLU A 86 6.638 -6.242 -2.290 1.00 0.00 C ATOM 1282 CG GLU A 86 6.425 -5.772 -3.690 1.00 0.00 C ATOM 1283 CD GLU A 86 7.671 -5.996 -4.484 1.00 0.00 C ATOM 1284 OE1 GLU A 86 8.524 -6.803 -4.037 1.00 0.00 O ATOM 1285 OE2 GLU A 86 7.838 -5.397 -5.552 1.00 0.00 O ATOM 0 H GLU A 86 6.013 -4.520 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 86 4.530 -6.417 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.360 -5.581 -1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.087 -7.234 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.591 -6.308 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.163 -4.714 -3.694 1.00 0.00 H new ATOM 1292 N VAL A 87 5.137 -8.616 -0.993 1.00 0.00 N ATOM 1293 CA VAL A 87 5.365 -9.837 -0.265 1.00 0.00 C ATOM 1294 C VAL A 87 6.346 -10.688 -1.075 1.00 0.00 C ATOM 1295 O VAL A 87 6.770 -11.769 -0.665 1.00 0.00 O ATOM 1296 CB VAL A 87 4.033 -10.606 0.041 1.00 0.00 C ATOM 1297 CG1 VAL A 87 4.266 -11.769 0.988 1.00 0.00 C ATOM 1298 CG2 VAL A 87 2.993 -9.663 0.623 1.00 0.00 C ATOM 0 H VAL A 87 4.641 -8.730 -1.877 1.00 0.00 H new ATOM 0 HA VAL A 87 5.791 -9.606 0.711 1.00 0.00 H new ATOM 0 HB VAL A 87 3.663 -11.007 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.321 -12.279 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.972 -12.468 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.672 -11.397 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.076 -10.215 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.372 -9.231 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.784 -8.866 -0.091 1.00 0.00 H new ATOM 1308 N ALA A 88 6.740 -10.145 -2.211 1.00 0.00 N ATOM 1309 CA ALA A 88 7.667 -10.808 -3.095 1.00 0.00 C ATOM 1310 C ALA A 88 9.088 -10.518 -2.660 1.00 0.00 C ATOM 1311 O ALA A 88 9.869 -11.427 -2.373 1.00 0.00 O ATOM 1312 CB ALA A 88 7.435 -10.362 -4.530 1.00 0.00 C ATOM 0 H ALA A 88 6.425 -9.233 -2.543 1.00 0.00 H new ATOM 0 HA ALA A 88 7.504 -11.885 -3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.141 -10.870 -5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.417 -10.612 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.581 -9.284 -4.604 1.00 0.00 H new ATOM 1318 N LYS A 89 9.421 -9.256 -2.596 1.00 0.00 N ATOM 1319 CA LYS A 89 10.730 -8.852 -2.155 1.00 0.00 C ATOM 1320 C LYS A 89 10.620 -8.164 -0.820 1.00 0.00 C ATOM 1321 O LYS A 89 11.615 -7.923 -0.151 1.00 0.00 O ATOM 1322 CB LYS A 89 11.373 -7.933 -3.189 1.00 0.00 C ATOM 1323 CG LYS A 89 11.721 -8.637 -4.505 1.00 0.00 C ATOM 1324 CD LYS A 89 12.353 -7.704 -5.553 1.00 0.00 C ATOM 1325 CE LYS A 89 11.340 -6.806 -6.288 1.00 0.00 C ATOM 1326 NZ LYS A 89 10.629 -5.856 -5.412 1.00 0.00 N ATOM 0 H LYS A 89 8.800 -8.486 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 89 11.364 -9.732 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.695 -7.105 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 89 12.281 -7.503 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.409 -9.457 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.816 -9.078 -4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.093 -7.072 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.886 -8.308 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.863 -6.247 -7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.608 -7.438 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.124 -5.158 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.947 -6.373 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.314 -5.367 -4.802 1.00 0.00 H new ATOM 1340 N ASN A 90 9.372 -7.892 -0.446 1.00 0.00 N ATOM 1341 CA ASN A 90 9.010 -7.197 0.778 1.00 0.00 C ATOM 1342 C ASN A 90 9.509 -5.775 0.708 1.00 0.00 C ATOM 1343 O ASN A 90 10.625 -5.452 1.119 1.00 0.00 O ATOM 1344 CB ASN A 90 9.501 -7.916 2.051 1.00 0.00 C ATOM 1345 CG ASN A 90 8.910 -7.348 3.337 1.00 0.00 C ATOM 1346 OD1 ASN A 90 8.560 -6.162 3.431 1.00 0.00 O ATOM 1347 ND2 ASN A 90 8.795 -8.179 4.330 1.00 0.00 N ATOM 0 H ASN A 90 8.563 -8.159 -1.007 1.00 0.00 H new ATOM 0 HA ASN A 90 7.923 -7.195 0.854 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.249 -8.974 1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.588 -7.850 2.100 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.408 -7.861 5.219 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.092 -9.149 4.221 1.00 0.00 H new ATOM 1354 N GLN A 91 8.709 -4.935 0.136 1.00 0.00 N ATOM 1355 CA GLN A 91 9.104 -3.584 -0.054 1.00 0.00 C ATOM 1356 C GLN A 91 7.986 -2.677 0.213 1.00 0.00 C ATOM 1357 O GLN A 91 6.845 -3.092 0.271 1.00 0.00 O ATOM 1358 CB GLN A 91 9.671 -3.374 -1.450 1.00 0.00 C ATOM 1359 CG GLN A 91 10.415 -2.049 -1.683 1.00 0.00 C ATOM 1360 CD GLN A 91 11.378 -1.664 -0.547 1.00 0.00 C ATOM 1361 OE1 GLN A 91 11.918 -2.628 0.142 1.00 0.00 O flip ATOM 1362 NE2 GLN A 91 11.596 -0.476 -0.285 1.00 0.00 N flip ATOM 0 H GLN A 91 7.776 -5.165 -0.207 1.00 0.00 H new ATOM 0 HA GLN A 91 9.896 -3.355 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.354 -4.195 -1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.852 -3.439 -2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.977 -2.119 -2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.684 -1.251 -1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.159 0.258 -0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.213 -0.229 0.489 1.00 0.00 H new ATOM 1371 N LYS A 92 8.332 -1.461 0.376 1.00 0.00 N ATOM 1372 CA LYS A 92 7.472 -0.450 0.737 1.00 0.00 C ATOM 1373 C LYS A 92 7.476 0.593 -0.348 1.00 0.00 C ATOM 1374 O LYS A 92 8.405 1.396 -0.437 1.00 0.00 O ATOM 1375 CB LYS A 92 7.944 0.173 2.059 1.00 0.00 C ATOM 1376 CG LYS A 92 7.900 -0.741 3.316 1.00 0.00 C ATOM 1377 CD LYS A 92 8.861 -1.933 3.336 1.00 0.00 C ATOM 1378 CE LYS A 92 8.663 -2.744 4.617 1.00 0.00 C ATOM 1379 NZ LYS A 92 9.524 -3.945 4.684 1.00 0.00 N ATOM 0 H LYS A 92 9.292 -1.142 0.248 1.00 0.00 H new ATOM 0 HA LYS A 92 6.464 -0.842 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.969 0.519 1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.334 1.054 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.105 -0.125 4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.884 -1.121 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.687 -2.565 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.891 -1.581 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.870 -2.108 5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.619 -3.049 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.484 -4.347 5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.189 -4.651 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.505 -3.682 4.459 1.00 0.00 H new ATOM 1393 N PHE A 93 6.534 0.484 -1.234 1.00 0.00 N ATOM 1394 CA PHE A 93 6.301 1.524 -2.265 1.00 0.00 C ATOM 1395 C PHE A 93 5.085 2.393 -1.820 1.00 0.00 C ATOM 1396 O PHE A 93 3.954 2.093 -2.176 1.00 0.00 O ATOM 1397 CB PHE A 93 6.008 0.883 -3.681 1.00 0.00 C ATOM 1398 CG PHE A 93 7.006 -0.159 -4.093 1.00 0.00 C ATOM 1399 CD1 PHE A 93 6.872 -1.469 -3.665 1.00 0.00 C ATOM 1400 CD2 PHE A 93 8.069 0.162 -4.905 1.00 0.00 C ATOM 1401 CE1 PHE A 93 7.779 -2.428 -4.042 1.00 0.00 C ATOM 1402 CE2 PHE A 93 8.980 -0.798 -5.288 1.00 0.00 C ATOM 1403 CZ PHE A 93 8.836 -2.092 -4.856 1.00 0.00 C ATOM 0 H PHE A 93 5.895 -0.309 -1.288 1.00 0.00 H new ATOM 0 HA PHE A 93 7.199 2.135 -2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 93 5.014 0.436 -3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.992 1.674 -4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.044 -1.740 -3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.191 1.179 -5.247 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.663 -3.446 -3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.808 -0.532 -5.929 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.551 -2.845 -5.154 1.00 0.00 H new ATOM 1413 N PRO A 94 5.272 3.411 -0.947 1.00 0.00 N ATOM 1414 CA PRO A 94 4.182 4.216 -0.454 1.00 0.00 C ATOM 1415 C PRO A 94 4.045 5.603 -1.135 1.00 0.00 C ATOM 1416 O PRO A 94 5.021 6.265 -1.510 1.00 0.00 O ATOM 1417 CB PRO A 94 4.548 4.297 1.009 1.00 0.00 C ATOM 1418 CG PRO A 94 6.039 4.497 0.980 1.00 0.00 C ATOM 1419 CD PRO A 94 6.531 3.840 -0.311 1.00 0.00 C ATOM 0 HA PRO A 94 3.197 3.795 -0.657 1.00 0.00 H new ATOM 0 HB2 PRO A 94 4.040 5.124 1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.274 3.387 1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.290 5.558 0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 94 6.510 4.043 1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.085 4.539 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.193 2.997 -0.111 1.00 0.00 H new ATOM 1427 N PHE A 95 2.820 5.993 -1.272 1.00 0.00 N ATOM 1428 CA PHE A 95 2.371 7.182 -1.960 1.00 0.00 C ATOM 1429 C PHE A 95 2.429 8.374 -0.993 1.00 0.00 C ATOM 1430 O PHE A 95 2.736 8.201 0.196 1.00 0.00 O ATOM 1431 CB PHE A 95 0.918 6.874 -2.385 1.00 0.00 C ATOM 1432 CG PHE A 95 0.197 7.838 -3.292 1.00 0.00 C ATOM 1433 CD1 PHE A 95 0.421 7.822 -4.651 1.00 0.00 C ATOM 1434 CD2 PHE A 95 -0.753 8.708 -2.785 1.00 0.00 C ATOM 1435 CE1 PHE A 95 -0.281 8.655 -5.493 1.00 0.00 C ATOM 1436 CE2 PHE A 95 -1.451 9.551 -3.618 1.00 0.00 C ATOM 1437 CZ PHE A 95 -1.217 9.521 -4.975 1.00 0.00 C ATOM 0 H PHE A 95 2.044 5.458 -0.882 1.00 0.00 H new ATOM 0 HA PHE A 95 2.986 7.438 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.919 5.901 -2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.325 6.773 -1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.157 7.147 -5.062 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.948 8.725 -1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.098 8.629 -6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.180 10.235 -3.209 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.768 10.177 -5.633 1.00 0.00 H new ATOM 1447 N ASP A 96 2.175 9.565 -1.503 1.00 0.00 N ATOM 1448 CA ASP A 96 2.124 10.774 -0.671 1.00 0.00 C ATOM 1449 C ASP A 96 0.966 10.694 0.264 1.00 0.00 C ATOM 1450 O ASP A 96 -0.084 10.160 -0.075 1.00 0.00 O ATOM 1451 CB ASP A 96 1.945 12.043 -1.493 1.00 0.00 C ATOM 1452 CG ASP A 96 3.155 12.470 -2.269 1.00 0.00 C ATOM 1453 OD1 ASP A 96 3.544 11.779 -3.212 1.00 0.00 O ATOM 1454 OD2 ASP A 96 3.715 13.528 -1.964 1.00 0.00 O ATOM 0 H ASP A 96 1.999 9.731 -2.494 1.00 0.00 H new ATOM 0 HA ASP A 96 3.075 10.822 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.119 11.894 -2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.656 12.854 -0.824 1.00 0.00 H new ATOM 1459 N GLN A 97 1.129 11.285 1.393 1.00 0.00 N ATOM 1460 CA GLN A 97 0.106 11.269 2.426 1.00 0.00 C ATOM 1461 C GLN A 97 -0.726 12.539 2.308 1.00 0.00 C ATOM 1462 O GLN A 97 -1.643 12.781 3.093 1.00 0.00 O ATOM 1463 CB GLN A 97 0.771 11.249 3.808 1.00 0.00 C ATOM 1464 CG GLN A 97 1.862 10.193 3.978 1.00 0.00 C ATOM 1465 CD GLN A 97 2.601 10.321 5.292 1.00 0.00 C ATOM 1466 OE1 GLN A 97 3.788 10.047 5.380 1.00 0.00 O ATOM 1467 NE2 GLN A 97 1.890 10.604 6.333 1.00 0.00 N ATOM 0 H GLN A 97 1.972 11.801 1.646 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.521 10.386 2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.202 12.231 4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.003 11.083 4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.415 9.201 3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.573 10.276 3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.901 10.829 6.229 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.318 10.602 7.259 1.00 0.00 H new ATOM 1476 N GLU A 98 -0.408 13.347 1.305 1.00 0.00 N ATOM 1477 CA GLU A 98 -1.019 14.658 1.169 1.00 0.00 C ATOM 1478 C GLU A 98 -1.134 15.081 -0.274 1.00 0.00 C ATOM 1479 O GLU A 98 -1.231 16.269 -0.577 1.00 0.00 O ATOM 1480 CB GLU A 98 -0.190 15.674 1.951 1.00 0.00 C ATOM 1481 CG GLU A 98 1.293 15.666 1.610 1.00 0.00 C ATOM 1482 CD GLU A 98 2.084 16.548 2.525 1.00 0.00 C ATOM 1483 OE1 GLU A 98 2.319 16.149 3.678 1.00 0.00 O ATOM 1484 OE2 GLU A 98 2.501 17.646 2.110 1.00 0.00 O ATOM 0 H GLU A 98 0.268 13.116 0.577 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.032 14.608 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.588 16.671 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.307 15.478 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.673 14.646 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.430 15.996 0.580 1.00 0.00 H new ATOM 1491 N LYS A 99 -1.150 14.133 -1.165 1.00 0.00 N ATOM 1492 CA LYS A 99 -1.253 14.468 -2.541 1.00 0.00 C ATOM 1493 C LYS A 99 -2.721 14.504 -2.933 1.00 0.00 C ATOM 1494 O LYS A 99 -3.342 15.563 -2.912 1.00 0.00 O ATOM 1495 CB LYS A 99 -0.503 13.465 -3.394 1.00 0.00 C ATOM 1496 CG LYS A 99 -0.384 13.861 -4.838 1.00 0.00 C ATOM 1497 CD LYS A 99 -0.015 12.672 -5.713 1.00 0.00 C ATOM 1498 CE LYS A 99 1.305 12.023 -5.311 1.00 0.00 C ATOM 1499 NZ LYS A 99 2.487 12.780 -5.758 1.00 0.00 N ATOM 0 H LYS A 99 -1.093 13.135 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.806 15.448 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.497 13.328 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.008 12.501 -3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.328 14.286 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.372 14.639 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.810 11.928 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.048 12.998 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.336 11.921 -4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.348 11.016 -5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.241 12.699 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.823 12.396 -6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.232 13.781 -5.880 1.00 0.00 H new ATOM 1513 N GLU A 100 -3.269 13.325 -3.204 1.00 0.00 N ATOM 1514 CA GLU A 100 -4.631 13.148 -3.652 1.00 0.00 C ATOM 1515 C GLU A 100 -4.781 11.705 -4.016 1.00 0.00 C ATOM 1516 O GLU A 100 -4.008 11.188 -4.822 1.00 0.00 O ATOM 1517 CB GLU A 100 -4.895 13.985 -4.899 1.00 0.00 C ATOM 1518 CG GLU A 100 -6.315 13.941 -5.405 1.00 0.00 C ATOM 1519 CD GLU A 100 -6.446 14.685 -6.688 1.00 0.00 C ATOM 1520 OE1 GLU A 100 -6.365 15.928 -6.668 1.00 0.00 O ATOM 1521 OE2 GLU A 100 -6.569 14.039 -7.751 1.00 0.00 O ATOM 0 H GLU A 100 -2.758 12.447 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 100 -5.327 13.453 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.633 15.021 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.231 13.646 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.622 12.905 -5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.984 14.372 -4.660 1.00 0.00 H new ATOM 1528 N ILE A 101 -5.712 11.052 -3.423 1.00 0.00 N ATOM 1529 CA ILE A 101 -5.944 9.691 -3.751 1.00 0.00 C ATOM 1530 C ILE A 101 -7.119 9.610 -4.697 1.00 0.00 C ATOM 1531 O ILE A 101 -8.281 9.662 -4.291 1.00 0.00 O ATOM 1532 CB ILE A 101 -6.159 8.756 -2.520 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -4.910 8.656 -1.614 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -6.575 7.364 -2.971 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -4.638 9.864 -0.749 1.00 0.00 C ATOM 0 H ILE A 101 -6.328 11.437 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.036 9.321 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.956 9.207 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.020 7.785 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.039 8.478 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.720 6.727 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.507 7.427 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.797 6.939 -3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.741 9.691 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.490 10.739 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.486 10.035 -0.086 1.00 0.00 H new ATOM 1547 N THR A 102 -6.804 9.584 -5.939 1.00 0.00 N ATOM 1548 CA THR A 102 -7.760 9.430 -6.970 1.00 0.00 C ATOM 1549 C THR A 102 -7.391 8.224 -7.783 1.00 0.00 C ATOM 1550 O THR A 102 -6.263 7.721 -7.642 1.00 0.00 O ATOM 1551 CB THR A 102 -7.847 10.689 -7.850 1.00 0.00 C ATOM 1552 OG1 THR A 102 -6.545 11.284 -8.010 1.00 0.00 O ATOM 1553 CG2 THR A 102 -8.833 11.690 -7.279 1.00 0.00 C ATOM 0 H THR A 102 -5.845 9.672 -6.276 1.00 0.00 H new ATOM 0 HA THR A 102 -8.748 9.289 -6.531 1.00 0.00 H new ATOM 0 HB THR A 102 -8.211 10.390 -8.833 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.625 12.260 -7.974 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.873 12.569 -7.922 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.822 11.235 -7.224 1.00 0.00 H new ATOM 0 HG23 THR A 102 -8.514 11.986 -6.280 1.00 0.00 H new ATOM 1561 N PHE A 103 -8.303 7.776 -8.636 1.00 0.00 N ATOM 1562 CA PHE A 103 -8.134 6.569 -9.440 1.00 0.00 C ATOM 1563 C PHE A 103 -6.843 6.618 -10.168 1.00 0.00 C ATOM 1564 O PHE A 103 -5.968 5.820 -9.957 1.00 0.00 O ATOM 1565 CB PHE A 103 -9.268 6.471 -10.481 1.00 0.00 C ATOM 1566 CG PHE A 103 -9.163 5.299 -11.454 1.00 0.00 C ATOM 1567 CD1 PHE A 103 -8.370 5.400 -12.621 1.00 0.00 C ATOM 1568 CD2 PHE A 103 -9.864 4.110 -11.237 1.00 0.00 C ATOM 1569 CE1 PHE A 103 -8.295 4.351 -13.506 1.00 0.00 C ATOM 1570 CE2 PHE A 103 -9.761 3.083 -12.134 1.00 0.00 C ATOM 1571 CZ PHE A 103 -8.995 3.193 -13.247 1.00 0.00 C ATOM 0 H PHE A 103 -9.194 8.247 -8.792 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.155 5.707 -8.774 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -10.218 6.399 -9.952 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -9.292 7.397 -11.055 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.819 6.308 -12.818 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.487 4.002 -10.361 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -7.692 4.434 -14.398 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.301 2.166 -11.952 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.933 2.365 -13.937 1.00 0.00 H new ATOM 1581 N GLU A 104 -6.749 7.605 -10.981 1.00 0.00 N ATOM 1582 CA GLU A 104 -5.737 7.806 -11.885 1.00 0.00 C ATOM 1583 C GLU A 104 -4.419 8.148 -11.223 1.00 0.00 C ATOM 1584 O GLU A 104 -3.354 7.852 -11.761 1.00 0.00 O ATOM 1585 CB GLU A 104 -6.273 8.901 -12.672 1.00 0.00 C ATOM 1586 CG GLU A 104 -5.534 9.299 -13.820 1.00 0.00 C ATOM 1587 CD GLU A 104 -5.373 8.218 -14.852 1.00 0.00 C ATOM 1588 OE1 GLU A 104 -6.263 7.370 -14.998 1.00 0.00 O ATOM 1589 OE2 GLU A 104 -4.359 8.223 -15.569 1.00 0.00 O ATOM 0 H GLU A 104 -7.452 8.343 -11.014 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.486 6.922 -12.472 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.277 8.625 -12.995 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.376 9.768 -12.019 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.030 10.154 -14.279 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.546 9.635 -13.504 1.00 0.00 H new ATOM 1596 N ALA A 105 -4.484 8.728 -10.057 1.00 0.00 N ATOM 1597 CA ALA A 105 -3.282 9.076 -9.353 1.00 0.00 C ATOM 1598 C ALA A 105 -2.667 7.818 -8.751 1.00 0.00 C ATOM 1599 O ALA A 105 -1.463 7.567 -8.869 1.00 0.00 O ATOM 1600 CB ALA A 105 -3.538 10.128 -8.290 1.00 0.00 C ATOM 0 H ALA A 105 -5.351 8.968 -9.577 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.578 9.514 -10.061 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -2.604 10.364 -7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.934 11.029 -8.758 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.260 9.747 -7.568 1.00 0.00 H new ATOM 1606 N ILE A 106 -3.521 7.008 -8.156 1.00 0.00 N ATOM 1607 CA ILE A 106 -3.121 5.746 -7.564 1.00 0.00 C ATOM 1608 C ILE A 106 -2.724 4.790 -8.643 1.00 0.00 C ATOM 1609 O ILE A 106 -1.744 4.070 -8.514 1.00 0.00 O ATOM 1610 CB ILE A 106 -4.268 5.149 -6.718 1.00 0.00 C ATOM 1611 CG1 ILE A 106 -4.578 6.070 -5.554 1.00 0.00 C ATOM 1612 CG2 ILE A 106 -3.977 3.729 -6.234 1.00 0.00 C ATOM 1613 CD1 ILE A 106 -3.375 6.411 -4.702 1.00 0.00 C ATOM 0 H ILE A 106 -4.517 7.208 -8.069 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.270 5.922 -6.906 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.143 5.071 -7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.011 6.993 -5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.335 5.602 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.820 3.365 -5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.825 3.076 -7.093 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.078 3.732 -5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.679 7.073 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.954 5.496 -4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.624 6.910 -5.315 1.00 0.00 H new ATOM 1625 N LYS A 107 -3.484 4.817 -9.712 1.00 0.00 N ATOM 1626 CA LYS A 107 -3.244 4.002 -10.875 1.00 0.00 C ATOM 1627 C LYS A 107 -1.855 4.274 -11.374 1.00 0.00 C ATOM 1628 O LYS A 107 -1.076 3.370 -11.574 1.00 0.00 O ATOM 1629 CB LYS A 107 -4.215 4.356 -12.008 1.00 0.00 C ATOM 1630 CG LYS A 107 -4.111 3.450 -13.236 1.00 0.00 C ATOM 1631 CD LYS A 107 -4.289 4.228 -14.538 1.00 0.00 C ATOM 1632 CE LYS A 107 -3.102 5.161 -14.771 1.00 0.00 C ATOM 1633 NZ LYS A 107 -3.198 5.918 -16.026 1.00 0.00 N ATOM 0 H LYS A 107 -4.303 5.419 -9.797 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.378 2.958 -10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -5.234 4.311 -11.624 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.035 5.386 -12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.140 2.954 -13.240 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.868 2.668 -13.175 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -4.383 3.534 -15.373 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -5.212 4.807 -14.499 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.028 5.860 -13.938 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.183 4.575 -14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.296 5.853 -16.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.960 5.522 -16.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.406 6.915 -15.815 1.00 0.00 H new ATOM 1647 N ALA A 108 -1.571 5.556 -11.556 1.00 0.00 N ATOM 1648 CA ALA A 108 -0.252 6.013 -12.046 1.00 0.00 C ATOM 1649 C ALA A 108 0.878 5.460 -11.183 1.00 0.00 C ATOM 1650 O ALA A 108 1.907 4.991 -11.695 1.00 0.00 O ATOM 1651 CB ALA A 108 -0.182 7.535 -12.068 1.00 0.00 C ATOM 0 H ALA A 108 -2.232 6.311 -11.374 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.131 5.636 -13.062 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.796 7.849 -12.432 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.957 7.925 -12.728 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -0.336 7.921 -11.060 1.00 0.00 H new ATOM 1657 N PHE A 109 0.668 5.505 -9.891 1.00 0.00 N ATOM 1658 CA PHE A 109 1.614 5.040 -8.925 1.00 0.00 C ATOM 1659 C PHE A 109 1.759 3.509 -9.005 1.00 0.00 C ATOM 1660 O PHE A 109 2.822 3.012 -9.312 1.00 0.00 O ATOM 1661 CB PHE A 109 1.159 5.477 -7.531 1.00 0.00 C ATOM 1662 CG PHE A 109 2.195 5.335 -6.460 1.00 0.00 C ATOM 1663 CD1 PHE A 109 3.100 6.358 -6.237 1.00 0.00 C ATOM 1664 CD2 PHE A 109 2.257 4.205 -5.667 1.00 0.00 C ATOM 1665 CE1 PHE A 109 4.048 6.258 -5.247 1.00 0.00 C ATOM 1666 CE2 PHE A 109 3.209 4.097 -4.676 1.00 0.00 C ATOM 1667 CZ PHE A 109 4.104 5.126 -4.468 1.00 0.00 C ATOM 0 H PHE A 109 -0.188 5.876 -9.479 1.00 0.00 H new ATOM 0 HA PHE A 109 2.592 5.474 -9.133 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.845 6.520 -7.577 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.283 4.892 -7.250 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.061 7.247 -6.849 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.554 3.400 -5.825 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.746 7.065 -5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.254 3.209 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.850 5.042 -3.692 1.00 0.00 H new ATOM 1677 N VAL A 110 0.677 2.773 -8.806 1.00 0.00 N ATOM 1678 CA VAL A 110 0.751 1.306 -8.793 1.00 0.00 C ATOM 1679 C VAL A 110 1.253 0.756 -10.135 1.00 0.00 C ATOM 1680 O VAL A 110 1.938 -0.242 -10.163 1.00 0.00 O ATOM 1681 CB VAL A 110 -0.592 0.635 -8.443 1.00 0.00 C ATOM 1682 CG1 VAL A 110 -1.083 1.026 -7.077 1.00 0.00 C ATOM 1683 CG2 VAL A 110 -1.596 0.966 -9.464 1.00 0.00 C ATOM 0 H VAL A 110 -0.257 3.154 -8.652 1.00 0.00 H new ATOM 0 HA VAL A 110 1.464 1.060 -8.006 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.430 -0.443 -8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.032 0.529 -6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.350 0.727 -6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.224 2.106 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.543 0.489 -9.211 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.733 2.047 -9.503 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.258 0.608 -10.436 1.00 0.00 H new ATOM 1693 N ASP A 111 0.906 1.442 -11.226 1.00 0.00 N ATOM 1694 CA ASP A 111 1.344 1.100 -12.589 1.00 0.00 C ATOM 1695 C ASP A 111 2.821 1.147 -12.653 1.00 0.00 C ATOM 1696 O ASP A 111 3.480 0.216 -13.108 1.00 0.00 O ATOM 1697 CB ASP A 111 0.835 2.142 -13.563 1.00 0.00 C ATOM 1698 CG ASP A 111 1.275 1.899 -14.990 1.00 0.00 C ATOM 1699 OD1 ASP A 111 0.799 0.935 -15.628 1.00 0.00 O ATOM 1700 OD2 ASP A 111 2.120 2.673 -15.499 1.00 0.00 O ATOM 0 H ASP A 111 0.303 2.264 -11.191 1.00 0.00 H new ATOM 0 HA ASP A 111 0.964 0.109 -12.838 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.254 2.162 -13.525 1.00 0.00 H new ATOM 0 HB3 ASP A 111 1.183 3.125 -13.246 1.00 0.00 H new ATOM 1705 N ASP A 112 3.321 2.254 -12.173 1.00 0.00 N ATOM 1706 CA ASP A 112 4.742 2.544 -12.121 1.00 0.00 C ATOM 1707 C ASP A 112 5.393 1.463 -11.303 1.00 0.00 C ATOM 1708 O ASP A 112 6.331 0.841 -11.720 1.00 0.00 O ATOM 1709 CB ASP A 112 4.952 3.945 -11.501 1.00 0.00 C ATOM 1710 CG ASP A 112 6.167 4.740 -11.909 1.00 0.00 C ATOM 1711 OD1 ASP A 112 6.089 5.410 -12.955 1.00 0.00 O ATOM 1712 OD2 ASP A 112 7.154 4.799 -11.193 1.00 0.00 O ATOM 0 H ASP A 112 2.742 3.004 -11.795 1.00 0.00 H new ATOM 0 HA ASP A 112 5.191 2.558 -13.114 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.071 4.544 -11.732 1.00 0.00 H new ATOM 0 HB3 ASP A 112 4.982 3.827 -10.418 1.00 0.00 H new ATOM 1717 N PHE A 113 4.825 1.184 -10.186 1.00 0.00 N ATOM 1718 CA PHE A 113 5.312 0.143 -9.305 1.00 0.00 C ATOM 1719 C PHE A 113 5.372 -1.227 -9.993 1.00 0.00 C ATOM 1720 O PHE A 113 6.451 -1.772 -10.204 1.00 0.00 O ATOM 1721 CB PHE A 113 4.445 0.098 -8.036 1.00 0.00 C ATOM 1722 CG PHE A 113 4.306 -1.240 -7.382 1.00 0.00 C ATOM 1723 CD1 PHE A 113 5.390 -1.874 -6.816 1.00 0.00 C ATOM 1724 CD2 PHE A 113 3.087 -1.889 -7.397 1.00 0.00 C ATOM 1725 CE1 PHE A 113 5.253 -3.122 -6.274 1.00 0.00 C ATOM 1726 CE2 PHE A 113 2.953 -3.135 -6.867 1.00 0.00 C ATOM 1727 CZ PHE A 113 4.034 -3.752 -6.305 1.00 0.00 C ATOM 0 H PHE A 113 3.997 1.669 -9.838 1.00 0.00 H new ATOM 0 HA PHE A 113 6.338 0.385 -9.029 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.864 0.793 -7.309 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.449 0.462 -8.288 1.00 0.00 H new ATOM 0 HD1 PHE A 113 6.352 -1.383 -6.800 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.229 -1.401 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.103 -3.611 -5.822 1.00 0.00 H new ATOM 0 HE2 PHE A 113 1.996 -3.634 -6.891 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.929 -4.741 -5.883 1.00 0.00 H new ATOM 1737 N VAL A 114 4.221 -1.739 -10.344 1.00 0.00 N ATOM 1738 CA VAL A 114 4.079 -3.079 -10.901 1.00 0.00 C ATOM 1739 C VAL A 114 4.822 -3.250 -12.234 1.00 0.00 C ATOM 1740 O VAL A 114 5.225 -4.359 -12.589 1.00 0.00 O ATOM 1741 CB VAL A 114 2.578 -3.506 -11.014 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.827 -2.704 -12.059 1.00 0.00 C ATOM 1743 CG2 VAL A 114 2.433 -5.005 -11.237 1.00 0.00 C ATOM 0 H VAL A 114 3.337 -1.238 -10.254 1.00 0.00 H new ATOM 0 HA VAL A 114 4.558 -3.756 -10.194 1.00 0.00 H new ATOM 0 HB VAL A 114 2.115 -3.276 -10.055 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.790 -3.038 -12.099 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.857 -1.646 -11.797 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.293 -2.850 -13.034 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.376 -5.261 -11.310 1.00 0.00 H new ATOM 0 HG22 VAL A 114 2.939 -5.286 -12.160 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.880 -5.542 -10.400 1.00 0.00 H new ATOM 1753 N ALA A 115 5.043 -2.157 -12.945 1.00 0.00 N ATOM 1754 CA ALA A 115 5.786 -2.242 -14.194 1.00 0.00 C ATOM 1755 C ALA A 115 7.269 -2.359 -13.901 1.00 0.00 C ATOM 1756 O ALA A 115 8.009 -3.050 -14.601 1.00 0.00 O ATOM 1757 CB ALA A 115 5.514 -1.042 -15.084 1.00 0.00 C ATOM 0 H ALA A 115 4.728 -1.221 -12.689 1.00 0.00 H new ATOM 0 HA ALA A 115 5.453 -3.131 -14.730 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.084 -1.138 -16.008 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.450 -0.996 -15.317 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.812 -0.130 -14.566 1.00 0.00 H new ATOM 1763 N GLY A 116 7.697 -1.695 -12.850 1.00 0.00 N ATOM 1764 CA GLY A 116 9.099 -1.726 -12.483 1.00 0.00 C ATOM 1765 C GLY A 116 9.677 -0.373 -12.677 1.00 0.00 C ATOM 1766 O GLY A 116 10.856 -0.199 -12.984 1.00 0.00 O ATOM 0 H GLY A 116 7.104 -1.133 -12.240 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.210 -2.038 -11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.632 -2.455 -13.093 1.00 0.00 H new ATOM 1770 N LYS A 117 8.821 0.579 -12.488 1.00 0.00 N ATOM 1771 CA LYS A 117 9.087 1.949 -12.663 1.00 0.00 C ATOM 1772 C LYS A 117 9.351 2.566 -11.297 1.00 0.00 C ATOM 1773 O LYS A 117 10.295 3.348 -11.132 1.00 0.00 O ATOM 1774 CB LYS A 117 7.908 2.589 -13.450 1.00 0.00 C ATOM 1775 CG LYS A 117 8.178 2.823 -14.938 1.00 0.00 C ATOM 1776 CD LYS A 117 6.981 3.444 -15.687 1.00 0.00 C ATOM 1777 CE LYS A 117 5.789 2.491 -15.813 1.00 0.00 C ATOM 1778 NZ LYS A 117 4.628 3.114 -16.500 1.00 0.00 N ATOM 0 H LYS A 117 7.863 0.397 -12.189 1.00 0.00 H new ATOM 0 HA LYS A 117 9.981 2.131 -13.259 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.033 1.946 -13.351 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.657 3.543 -12.987 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.043 3.478 -15.044 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.437 1.874 -15.406 1.00 0.00 H new ATOM 0 HD2 LYS A 117 6.663 4.347 -15.165 1.00 0.00 H new ATOM 0 HD3 LYS A 117 7.302 3.748 -16.683 1.00 0.00 H new ATOM 0 HE2 LYS A 117 6.097 1.601 -16.362 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.485 2.163 -14.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.766 2.950 -15.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.789 4.137 -16.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 4.515 2.691 -17.444 1.00 0.00 H new ATOM 1792 N ILE A 118 8.527 2.218 -10.317 1.00 0.00 N ATOM 1793 CA ILE A 118 8.829 2.589 -8.940 1.00 0.00 C ATOM 1794 C ILE A 118 9.803 1.550 -8.382 1.00 0.00 C ATOM 1795 O ILE A 118 9.747 0.363 -8.751 1.00 0.00 O ATOM 1796 CB ILE A 118 7.568 2.626 -8.028 1.00 0.00 C ATOM 1797 CG1 ILE A 118 6.503 3.457 -8.644 1.00 0.00 C ATOM 1798 CG2 ILE A 118 7.874 3.231 -6.695 1.00 0.00 C ATOM 1799 CD1 ILE A 118 5.260 3.573 -7.830 1.00 0.00 C ATOM 0 H ILE A 118 7.663 1.691 -10.444 1.00 0.00 H new ATOM 0 HA ILE A 118 9.249 3.595 -8.947 1.00 0.00 H new ATOM 0 HB ILE A 118 7.241 1.593 -7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.899 4.457 -8.824 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.247 3.035 -9.616 1.00 0.00 H new ATOM 0 HG21 ILE A 118 6.971 3.241 -6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.643 2.642 -6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.231 4.252 -6.832 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.538 4.197 -8.356 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.835 2.582 -7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.497 4.025 -6.867 1.00 0.00 H new ATOM 1811 N GLU A 119 10.671 1.979 -7.528 1.00 0.00 N ATOM 1812 CA GLU A 119 11.665 1.126 -6.940 1.00 0.00 C ATOM 1813 C GLU A 119 11.726 1.398 -5.423 1.00 0.00 C ATOM 1814 O GLU A 119 11.083 2.356 -4.964 1.00 0.00 O ATOM 1815 CB GLU A 119 13.014 1.361 -7.638 1.00 0.00 C ATOM 1816 CG GLU A 119 13.529 2.779 -7.581 1.00 0.00 C ATOM 1817 CD GLU A 119 14.902 2.885 -8.172 1.00 0.00 C ATOM 1818 OE1 GLU A 119 15.029 2.945 -9.418 1.00 0.00 O ATOM 1819 OE2 GLU A 119 15.888 2.885 -7.409 1.00 0.00 O ATOM 0 H GLU A 119 10.716 2.947 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 119 11.409 0.075 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.757 0.703 -7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.920 1.067 -8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.847 3.437 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.549 3.119 -6.546 1.00 0.00 H new