USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 37:sc= 0.78 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0574 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 23 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.0051) USER MOD Single : A 24 MET CE :methyl -124:sc= -0.048 (180deg=-0.11) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 1.33 (180deg=1.33) USER MOD Single : A 40 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.14) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.714 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 62:sc= -0.826! USER MOD Single : A 54 LYS NZ :NH3+ 143:sc= -0.134 (180deg=-0.939) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -9.93! C(o=-9.9!,f=-11!) USER MOD Single : A 58 CYS SG : rot 180:sc= -1.87! USER MOD Single : A 61 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.22) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 65 GLN : amide:sc= -0.665 K(o=-0.67,f=0) USER MOD Single : A 66 THR OG1 : rot 125:sc= 0.509 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.92 K(o=-1.9,f=-12!) USER MOD Single : A 72 SER OG : rot 180:sc= -0.721! USER MOD Single : A 76 SER OG : rot -83:sc= -0.0306 USER MOD Single : A 82 SER OG : rot -30:sc= -2.31 USER MOD Single : A 83 TYR OH : rot 52:sc= 0.675 USER MOD Single : A 84 TYR OH : rot 30:sc= -0.0187 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -158:sc= -5.49! (180deg=-8.06!) USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0157) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N TRP A 11 -1.072 10.170 0.595 1.00 0.00 N ATOM 142 CA TRP A 11 -0.378 8.874 0.843 1.00 0.00 C ATOM 143 C TRP A 11 -0.454 7.991 -0.410 1.00 0.00 C ATOM 144 O TRP A 11 0.427 7.193 -0.669 1.00 0.00 O ATOM 145 CB TRP A 11 -1.025 8.155 2.034 1.00 0.00 C ATOM 146 CG TRP A 11 -2.511 8.094 1.865 1.00 0.00 C ATOM 147 CD1 TRP A 11 -3.323 9.161 1.671 1.00 0.00 C ATOM 148 CD2 TRP A 11 -3.378 6.923 1.887 1.00 0.00 C ATOM 149 NE1 TRP A 11 -4.629 8.716 1.563 1.00 0.00 N ATOM 150 CE2 TRP A 11 -4.714 7.344 1.690 1.00 0.00 C ATOM 151 CE3 TRP A 11 -3.134 5.548 2.054 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -5.771 6.432 1.660 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -4.196 4.628 2.025 1.00 0.00 C ATOM 154 CH2 TRP A 11 -5.512 5.070 1.828 1.00 0.00 C ATOM 0 HA TRP A 11 0.669 9.069 1.074 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.621 7.146 2.120 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.779 8.677 2.959 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.003 10.191 1.611 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.431 9.327 1.408 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.124 5.197 2.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.783 6.778 1.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.997 3.574 2.155 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.324 4.358 1.806 1.00 0.00 H new ATOM 165 N TYR A 12 -1.490 8.126 -1.196 1.00 0.00 N ATOM 166 CA TYR A 12 -1.603 7.296 -2.428 1.00 0.00 C ATOM 167 C TYR A 12 -1.279 8.160 -3.652 1.00 0.00 C ATOM 168 O TYR A 12 -1.755 9.271 -3.782 1.00 0.00 O ATOM 169 CB TYR A 12 -3.026 6.735 -2.542 1.00 0.00 C ATOM 170 CG TYR A 12 -3.964 7.802 -3.060 1.00 0.00 C ATOM 171 CD1 TYR A 12 -4.107 7.996 -4.440 1.00 0.00 C ATOM 172 CD2 TYR A 12 -4.688 8.596 -2.163 1.00 0.00 C ATOM 173 CE1 TYR A 12 -4.973 8.984 -4.922 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.555 9.583 -2.646 1.00 0.00 C ATOM 175 CZ TYR A 12 -5.697 9.777 -4.025 1.00 0.00 C ATOM 176 OH TYR A 12 -6.553 10.751 -4.501 1.00 0.00 O ATOM 0 H TYR A 12 -2.261 8.775 -1.037 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.899 6.466 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.034 5.876 -3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.366 6.383 -1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.549 7.383 -5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.578 8.447 -1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.082 9.134 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.115 10.195 -1.954 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.978 11.210 -3.747 1.00 0.00 H new ATOM 186 N HIS A 13 -0.473 7.661 -4.548 1.00 0.00 N ATOM 187 CA HIS A 13 -0.119 8.455 -5.757 1.00 0.00 C ATOM 188 C HIS A 13 -0.914 7.937 -6.958 1.00 0.00 C ATOM 189 O HIS A 13 -1.494 6.870 -6.917 1.00 0.00 O ATOM 190 CB HIS A 13 1.379 8.316 -6.036 1.00 0.00 C ATOM 191 CG HIS A 13 2.145 8.506 -4.757 1.00 0.00 C ATOM 192 ND1 HIS A 13 2.281 9.747 -4.154 1.00 0.00 N ATOM 193 CD2 HIS A 13 2.821 7.623 -3.952 1.00 0.00 C ATOM 194 CE1 HIS A 13 3.013 9.578 -3.038 1.00 0.00 C ATOM 195 NE2 HIS A 13 3.368 8.302 -2.867 1.00 0.00 N ATOM 0 H HIS A 13 -0.044 6.737 -4.495 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.361 9.504 -5.588 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.592 7.334 -6.458 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.693 9.054 -6.774 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.914 6.562 -4.133 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.281 10.377 -2.363 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.921 7.909 -2.105 1.00 0.00 H new ATOM 203 N ALA A 14 -0.944 8.683 -8.028 1.00 0.00 N ATOM 204 CA ALA A 14 -1.702 8.231 -9.228 1.00 0.00 C ATOM 205 C ALA A 14 -1.114 8.884 -10.480 1.00 0.00 C ATOM 206 O ALA A 14 -1.807 9.534 -11.237 1.00 0.00 O ATOM 207 CB ALA A 14 -3.170 8.634 -9.084 1.00 0.00 C ATOM 0 H ALA A 14 -0.477 9.585 -8.123 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.629 7.147 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.726 8.304 -9.962 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.589 8.168 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.243 9.718 -8.995 1.00 0.00 H new ATOM 213 N SER A 15 0.160 8.717 -10.704 1.00 0.00 N ATOM 214 CA SER A 15 0.792 9.328 -11.908 1.00 0.00 C ATOM 215 C SER A 15 2.125 8.633 -12.191 1.00 0.00 C ATOM 216 O SER A 15 3.171 9.253 -12.193 1.00 0.00 O ATOM 217 CB SER A 15 1.037 10.816 -11.657 1.00 0.00 C ATOM 218 OG SER A 15 -0.079 11.561 -12.127 1.00 0.00 O ATOM 0 H SER A 15 0.791 8.184 -10.106 1.00 0.00 H new ATOM 0 HA SER A 15 0.130 9.209 -12.765 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.188 10.997 -10.593 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.945 11.138 -12.167 1.00 0.00 H new ATOM 0 HG SER A 15 -0.904 11.065 -11.944 1.00 0.00 H new ATOM 224 N LEU A 16 2.096 7.352 -12.428 1.00 0.00 N ATOM 225 CA LEU A 16 3.361 6.618 -12.710 1.00 0.00 C ATOM 226 C LEU A 16 3.089 5.503 -13.720 1.00 0.00 C ATOM 227 O LEU A 16 1.954 5.151 -13.979 1.00 0.00 O ATOM 228 CB LEU A 16 3.898 6.010 -11.413 1.00 0.00 C ATOM 229 CG LEU A 16 4.873 6.988 -10.754 1.00 0.00 C ATOM 230 CD1 LEU A 16 4.136 7.811 -9.697 1.00 0.00 C ATOM 231 CD2 LEU A 16 6.007 6.203 -10.090 1.00 0.00 C ATOM 0 H LEU A 16 1.251 6.781 -12.439 1.00 0.00 H new ATOM 0 HA LEU A 16 4.098 7.309 -13.120 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.074 5.789 -10.734 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.400 5.066 -11.623 1.00 0.00 H new ATOM 0 HG LEU A 16 5.285 7.656 -11.510 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.831 8.507 -9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.327 8.369 -10.169 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.724 7.145 -8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.703 6.897 -9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.593 5.536 -9.334 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.533 5.616 -10.843 1.00 0.00 H new ATOM 243 N THR A 17 4.118 4.945 -14.294 1.00 0.00 N ATOM 244 CA THR A 17 3.915 3.853 -15.286 1.00 0.00 C ATOM 245 C THR A 17 3.985 2.499 -14.575 1.00 0.00 C ATOM 246 O THR A 17 4.058 2.429 -13.364 1.00 0.00 O ATOM 247 CB THR A 17 5.004 3.928 -16.360 1.00 0.00 C ATOM 248 OG1 THR A 17 4.650 3.093 -17.451 1.00 0.00 O ATOM 249 CG2 THR A 17 6.338 3.466 -15.772 1.00 0.00 C ATOM 0 H THR A 17 5.091 5.198 -14.119 1.00 0.00 H new ATOM 0 HA THR A 17 2.938 3.965 -15.756 1.00 0.00 H new ATOM 0 HB THR A 17 5.101 4.957 -16.707 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.346 3.142 -18.140 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.112 3.520 -16.538 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.610 4.110 -14.936 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.245 2.438 -15.422 1.00 0.00 H new ATOM 257 N ARG A 18 3.952 1.426 -15.319 1.00 0.00 N ATOM 258 CA ARG A 18 4.013 0.075 -14.691 1.00 0.00 C ATOM 259 C ARG A 18 5.473 -0.342 -14.484 1.00 0.00 C ATOM 260 O ARG A 18 5.884 -1.409 -14.897 1.00 0.00 O ATOM 261 CB ARG A 18 3.320 -0.938 -15.603 1.00 0.00 C ATOM 262 CG ARG A 18 2.487 -1.902 -14.756 1.00 0.00 C ATOM 263 CD ARG A 18 1.996 -3.054 -15.633 1.00 0.00 C ATOM 264 NE ARG A 18 1.121 -2.517 -16.713 1.00 0.00 N ATOM 265 CZ ARG A 18 0.824 -3.260 -17.744 1.00 0.00 C ATOM 266 NH1 ARG A 18 1.768 -3.893 -18.386 1.00 0.00 N ATOM 267 NH2 ARG A 18 -0.417 -3.370 -18.131 1.00 0.00 N ATOM 0 H ARG A 18 3.885 1.427 -16.337 1.00 0.00 H new ATOM 0 HA ARG A 18 3.511 0.106 -13.724 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.681 -0.421 -16.319 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.062 -1.491 -16.179 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.085 -2.288 -13.931 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.638 -1.377 -14.317 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.845 -3.582 -16.067 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.446 -3.776 -15.029 1.00 0.00 H new ATOM 0 HE ARG A 18 0.754 -1.568 -16.646 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.738 -3.807 -18.082 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.536 -4.474 -19.192 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.154 -2.876 -17.628 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.650 -3.950 -18.937 1.00 0.00 H new ATOM 281 N ALA A 19 6.262 0.482 -13.850 1.00 0.00 N ATOM 282 CA ALA A 19 7.690 0.117 -13.625 1.00 0.00 C ATOM 283 C ALA A 19 8.408 1.271 -12.922 1.00 0.00 C ATOM 284 O ALA A 19 9.330 1.065 -12.157 1.00 0.00 O ATOM 285 CB ALA A 19 8.363 -0.158 -14.971 1.00 0.00 C ATOM 0 H ALA A 19 5.981 1.390 -13.479 1.00 0.00 H new ATOM 0 HA ALA A 19 7.743 -0.776 -13.002 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.407 -0.425 -14.808 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.852 -0.980 -15.472 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.310 0.735 -15.594 1.00 0.00 H new ATOM 291 N GLN A 20 7.995 2.482 -13.174 1.00 0.00 N ATOM 292 CA GLN A 20 8.657 3.645 -12.518 1.00 0.00 C ATOM 293 C GLN A 20 8.366 3.618 -11.017 1.00 0.00 C ATOM 294 O GLN A 20 9.066 4.223 -10.229 1.00 0.00 O ATOM 295 CB GLN A 20 8.119 4.945 -13.121 1.00 0.00 C ATOM 296 CG GLN A 20 8.717 5.147 -14.515 1.00 0.00 C ATOM 297 CD GLN A 20 10.068 5.855 -14.394 1.00 0.00 C ATOM 298 OE1 GLN A 20 10.141 6.973 -13.922 1.00 0.00 O ATOM 299 NE2 GLN A 20 11.148 5.249 -14.805 1.00 0.00 N ATOM 0 H GLN A 20 7.229 2.717 -13.805 1.00 0.00 H new ATOM 0 HA GLN A 20 9.734 3.589 -12.679 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.031 4.907 -13.182 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.373 5.789 -12.479 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.842 4.185 -15.011 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.039 5.738 -15.131 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.087 4.311 -15.201 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.053 5.713 -14.730 1.00 0.00 H new ATOM 308 N ALA A 21 7.340 2.920 -10.614 1.00 0.00 N ATOM 309 CA ALA A 21 7.009 2.855 -9.164 1.00 0.00 C ATOM 310 C ALA A 21 8.181 2.234 -8.403 1.00 0.00 C ATOM 311 O ALA A 21 8.580 2.712 -7.359 1.00 0.00 O ATOM 312 CB ALA A 21 5.759 1.994 -8.964 1.00 0.00 C ATOM 0 H ALA A 21 6.717 2.393 -11.226 1.00 0.00 H new ATOM 0 HA ALA A 21 6.822 3.861 -8.788 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.516 1.946 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.923 2.434 -9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.946 0.988 -9.339 1.00 0.00 H new ATOM 318 N GLU A 22 8.739 1.172 -8.918 1.00 0.00 N ATOM 319 CA GLU A 22 9.885 0.520 -8.224 1.00 0.00 C ATOM 320 C GLU A 22 11.116 1.426 -8.310 1.00 0.00 C ATOM 321 O GLU A 22 11.919 1.486 -7.401 1.00 0.00 O ATOM 322 CB GLU A 22 10.191 -0.820 -8.896 1.00 0.00 C ATOM 323 CG GLU A 22 9.246 -1.894 -8.351 1.00 0.00 C ATOM 324 CD GLU A 22 9.910 -2.609 -7.174 1.00 0.00 C ATOM 325 OE1 GLU A 22 11.124 -2.542 -7.074 1.00 0.00 O ATOM 326 OE2 GLU A 22 9.193 -3.212 -6.392 1.00 0.00 O ATOM 0 H GLU A 22 8.450 0.728 -9.790 1.00 0.00 H new ATOM 0 HA GLU A 22 9.629 0.353 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.074 -0.732 -9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.227 -1.104 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.308 -1.440 -8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.003 -2.611 -9.135 1.00 0.00 H new ATOM 333 N HIS A 23 11.272 2.129 -9.399 1.00 0.00 N ATOM 334 CA HIS A 23 12.453 3.029 -9.544 1.00 0.00 C ATOM 335 C HIS A 23 12.304 4.230 -8.608 1.00 0.00 C ATOM 336 O HIS A 23 13.266 4.895 -8.281 1.00 0.00 O ATOM 337 CB HIS A 23 12.545 3.520 -10.990 1.00 0.00 C ATOM 338 CG HIS A 23 13.812 3.004 -11.616 1.00 0.00 C ATOM 339 ND1 HIS A 23 14.661 3.821 -12.346 1.00 0.00 N ATOM 340 CD2 HIS A 23 14.389 1.758 -11.627 1.00 0.00 C ATOM 341 CE1 HIS A 23 15.693 3.065 -12.763 1.00 0.00 C ATOM 342 NE2 HIS A 23 15.576 1.798 -12.353 1.00 0.00 N ATOM 0 H HIS A 23 10.633 2.119 -10.194 1.00 0.00 H new ATOM 0 HA HIS A 23 13.358 2.480 -9.286 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.680 3.176 -11.558 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.531 4.610 -11.017 1.00 0.00 H new ATOM 0 HD2 HIS A 23 13.984 0.880 -11.146 1.00 0.00 H new ATOM 0 HE1 HIS A 23 16.515 3.436 -13.356 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.218 1.026 -12.533 1.00 0.00 H new ATOM 350 N MET A 24 11.107 4.516 -8.177 1.00 0.00 N ATOM 351 CA MET A 24 10.903 5.677 -7.266 1.00 0.00 C ATOM 352 C MET A 24 11.294 5.282 -5.841 1.00 0.00 C ATOM 353 O MET A 24 12.030 5.980 -5.172 1.00 0.00 O ATOM 354 CB MET A 24 9.432 6.096 -7.294 1.00 0.00 C ATOM 355 CG MET A 24 9.035 6.464 -8.725 1.00 0.00 C ATOM 356 SD MET A 24 8.603 8.219 -8.799 1.00 0.00 S ATOM 357 CE MET A 24 8.812 8.430 -10.584 1.00 0.00 C ATOM 0 H MET A 24 10.262 3.997 -8.416 1.00 0.00 H new ATOM 0 HA MET A 24 11.524 6.510 -7.595 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.804 5.284 -6.928 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.272 6.946 -6.631 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.858 6.252 -9.408 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.189 5.856 -9.047 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.525 9.232 -10.775 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.184 7.502 -11.019 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.853 8.683 -11.035 1.00 0.00 H new ATOM 367 N LEU A 25 10.810 4.165 -5.371 1.00 0.00 N ATOM 368 CA LEU A 25 11.154 3.725 -3.991 1.00 0.00 C ATOM 369 C LEU A 25 12.664 3.489 -3.891 1.00 0.00 C ATOM 370 O LEU A 25 13.272 3.721 -2.865 1.00 0.00 O ATOM 371 CB LEU A 25 10.414 2.425 -3.672 1.00 0.00 C ATOM 372 CG LEU A 25 9.040 2.749 -3.082 1.00 0.00 C ATOM 373 CD1 LEU A 25 8.273 1.450 -2.833 1.00 0.00 C ATOM 374 CD2 LEU A 25 9.217 3.495 -1.758 1.00 0.00 C ATOM 0 H LEU A 25 10.191 3.538 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 25 10.859 4.497 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.301 1.828 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.993 1.829 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 25 8.483 3.373 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.294 1.680 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.147 0.916 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.830 0.827 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.239 3.726 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.774 2.870 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.765 4.421 -1.933 1.00 0.00 H new ATOM 386 N MET A 26 13.272 3.027 -4.949 1.00 0.00 N ATOM 387 CA MET A 26 14.740 2.773 -4.914 1.00 0.00 C ATOM 388 C MET A 26 15.483 4.083 -4.643 1.00 0.00 C ATOM 389 O MET A 26 16.439 4.121 -3.894 1.00 0.00 O ATOM 390 CB MET A 26 15.188 2.201 -6.262 1.00 0.00 C ATOM 391 CG MET A 26 15.410 0.695 -6.128 1.00 0.00 C ATOM 392 SD MET A 26 17.069 0.275 -6.719 1.00 0.00 S ATOM 393 CE MET A 26 17.453 -0.963 -5.456 1.00 0.00 C ATOM 0 H MET A 26 12.816 2.814 -5.836 1.00 0.00 H new ATOM 0 HA MET A 26 14.966 2.060 -4.121 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.434 2.402 -7.023 1.00 0.00 H new ATOM 0 HB3 MET A 26 16.107 2.687 -6.588 1.00 0.00 H new ATOM 0 HG2 MET A 26 15.295 0.391 -5.088 1.00 0.00 H new ATOM 0 HG3 MET A 26 14.659 0.153 -6.703 1.00 0.00 H new ATOM 0 HE1 MET A 26 18.452 -1.363 -5.631 1.00 0.00 H new ATOM 0 HE2 MET A 26 17.415 -0.501 -4.470 1.00 0.00 H new ATOM 0 HE3 MET A 26 16.724 -1.772 -5.506 1.00 0.00 H new ATOM 403 N ARG A 27 15.054 5.156 -5.248 1.00 0.00 N ATOM 404 CA ARG A 27 15.736 6.459 -5.030 1.00 0.00 C ATOM 405 C ARG A 27 15.574 6.889 -3.570 1.00 0.00 C ATOM 406 O ARG A 27 16.348 7.671 -3.054 1.00 0.00 O ATOM 407 CB ARG A 27 15.104 7.507 -5.941 1.00 0.00 C ATOM 408 CG ARG A 27 15.874 7.564 -7.259 1.00 0.00 C ATOM 409 CD ARG A 27 15.759 6.225 -7.993 1.00 0.00 C ATOM 410 NE ARG A 27 17.120 5.652 -8.214 1.00 0.00 N ATOM 411 CZ ARG A 27 18.124 6.435 -8.508 1.00 0.00 C ATOM 412 NH1 ARG A 27 17.940 7.472 -9.278 1.00 0.00 N ATOM 413 NH2 ARG A 27 19.312 6.178 -8.033 1.00 0.00 N ATOM 0 H ARG A 27 14.258 5.185 -5.885 1.00 0.00 H new ATOM 0 HA ARG A 27 16.797 6.360 -5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.059 7.260 -6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.119 8.483 -5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.481 8.366 -7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.922 7.794 -7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.152 5.531 -7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.254 6.366 -8.949 1.00 0.00 H new ATOM 0 HE ARG A 27 17.267 4.646 -8.135 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.012 7.672 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.724 8.083 -9.507 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.457 5.366 -7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.096 6.789 -8.262 1.00 0.00 H new ATOM 427 N VAL A 28 14.573 6.387 -2.901 1.00 0.00 N ATOM 428 CA VAL A 28 14.364 6.772 -1.476 1.00 0.00 C ATOM 429 C VAL A 28 15.151 5.819 -0.569 1.00 0.00 C ATOM 430 O VAL A 28 14.877 4.635 -0.537 1.00 0.00 O ATOM 431 CB VAL A 28 12.874 6.683 -1.128 1.00 0.00 C ATOM 432 CG1 VAL A 28 12.525 7.771 -0.112 1.00 0.00 C ATOM 433 CG2 VAL A 28 12.031 6.882 -2.391 1.00 0.00 C ATOM 0 H VAL A 28 13.892 5.728 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 28 14.711 7.794 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 28 12.663 5.701 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.466 7.710 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.119 7.630 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.741 8.750 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.973 6.817 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.242 7.862 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.277 6.108 -3.118 1.00 0.00 H new ATOM 443 N PRO A 29 16.107 6.364 0.142 1.00 0.00 N ATOM 444 CA PRO A 29 16.988 5.624 1.083 1.00 0.00 C ATOM 445 C PRO A 29 16.286 5.432 2.432 1.00 0.00 C ATOM 446 O PRO A 29 16.899 5.516 3.478 1.00 0.00 O ATOM 447 CB PRO A 29 18.225 6.500 1.258 1.00 0.00 C ATOM 448 CG PRO A 29 17.788 7.928 0.913 1.00 0.00 C ATOM 449 CD PRO A 29 16.479 7.807 0.120 1.00 0.00 C ATOM 0 HA PRO A 29 17.239 4.633 0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.601 6.444 2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.032 6.170 0.603 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.640 8.517 1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 29 18.552 8.435 0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.695 8.417 0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.611 8.159 -0.903 1.00 0.00 H new ATOM 457 N ARG A 30 15.007 5.172 2.420 1.00 0.00 N ATOM 458 CA ARG A 30 14.275 4.976 3.702 1.00 0.00 C ATOM 459 C ARG A 30 13.810 3.521 3.802 1.00 0.00 C ATOM 460 O ARG A 30 12.731 3.172 3.366 1.00 0.00 O ATOM 461 CB ARG A 30 13.059 5.905 3.741 1.00 0.00 C ATOM 462 CG ARG A 30 13.416 7.182 4.505 1.00 0.00 C ATOM 463 CD ARG A 30 14.621 7.855 3.846 1.00 0.00 C ATOM 464 NE ARG A 30 14.988 9.077 4.616 1.00 0.00 N ATOM 465 CZ ARG A 30 16.150 9.640 4.429 1.00 0.00 C ATOM 466 NH1 ARG A 30 17.238 9.041 4.831 1.00 0.00 N ATOM 467 NH2 ARG A 30 16.225 10.804 3.842 1.00 0.00 N ATOM 0 H ARG A 30 14.438 5.087 1.578 1.00 0.00 H new ATOM 0 HA ARG A 30 14.934 5.206 4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.744 6.151 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.220 5.403 4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.565 7.863 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.643 6.944 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.464 7.165 3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.385 8.119 2.815 1.00 0.00 H new ATOM 0 HE ARG A 30 14.331 9.473 5.289 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.180 8.133 5.291 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.146 9.481 4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.375 11.273 3.530 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.134 11.244 3.696 1.00 0.00 H new ATOM 481 N ASP A 31 14.618 2.669 4.372 1.00 0.00 N ATOM 482 CA ASP A 31 14.225 1.238 4.498 1.00 0.00 C ATOM 483 C ASP A 31 13.087 1.105 5.511 1.00 0.00 C ATOM 484 O ASP A 31 13.253 1.372 6.686 1.00 0.00 O ATOM 485 CB ASP A 31 15.428 0.420 4.970 1.00 0.00 C ATOM 486 CG ASP A 31 16.431 0.280 3.824 1.00 0.00 C ATOM 487 OD1 ASP A 31 16.342 1.058 2.889 1.00 0.00 O ATOM 488 OD2 ASP A 31 17.270 -0.602 3.900 1.00 0.00 O ATOM 0 H ASP A 31 15.534 2.903 4.756 1.00 0.00 H new ATOM 0 HA ASP A 31 13.890 0.867 3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.900 0.907 5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.103 -0.565 5.305 1.00 0.00 H new ATOM 493 N GLY A 32 11.930 0.694 5.067 1.00 0.00 N ATOM 494 CA GLY A 32 10.781 0.544 6.005 1.00 0.00 C ATOM 495 C GLY A 32 9.769 1.663 5.754 1.00 0.00 C ATOM 496 O GLY A 32 9.746 2.656 6.453 1.00 0.00 O ATOM 0 H GLY A 32 11.731 0.456 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.307 -0.428 5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.132 0.581 7.036 1.00 0.00 H new ATOM 500 N ALA A 33 8.934 1.516 4.760 1.00 0.00 N ATOM 501 CA ALA A 33 7.933 2.585 4.481 1.00 0.00 C ATOM 502 C ALA A 33 6.751 2.014 3.697 1.00 0.00 C ATOM 503 O ALA A 33 6.917 1.358 2.689 1.00 0.00 O ATOM 504 CB ALA A 33 8.594 3.700 3.667 1.00 0.00 C ATOM 0 H ALA A 33 8.902 0.710 4.135 1.00 0.00 H new ATOM 0 HA ALA A 33 7.569 2.985 5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.864 4.483 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.426 4.119 4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.964 3.293 2.726 1.00 0.00 H new ATOM 510 N PHE A 34 5.555 2.263 4.158 1.00 0.00 N ATOM 511 CA PHE A 34 4.356 1.734 3.442 1.00 0.00 C ATOM 512 C PHE A 34 3.611 2.878 2.743 1.00 0.00 C ATOM 513 O PHE A 34 3.389 3.927 3.316 1.00 0.00 O ATOM 514 CB PHE A 34 3.421 1.064 4.452 1.00 0.00 C ATOM 515 CG PHE A 34 2.752 2.121 5.299 1.00 0.00 C ATOM 516 CD1 PHE A 34 3.453 2.721 6.350 1.00 0.00 C ATOM 517 CD2 PHE A 34 1.432 2.503 5.030 1.00 0.00 C ATOM 518 CE1 PHE A 34 2.836 3.703 7.134 1.00 0.00 C ATOM 519 CE2 PHE A 34 0.813 3.484 5.814 1.00 0.00 C ATOM 520 CZ PHE A 34 1.515 4.084 6.866 1.00 0.00 C ATOM 0 H PHE A 34 5.355 2.808 4.997 1.00 0.00 H new ATOM 0 HA PHE A 34 4.677 1.009 2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.669 0.472 3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.984 0.378 5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.471 2.426 6.557 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.891 2.041 4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.378 4.167 7.945 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.206 3.778 5.607 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.038 4.841 7.471 1.00 0.00 H new ATOM 530 N LEU A 35 3.220 2.683 1.510 1.00 0.00 N ATOM 531 CA LEU A 35 2.485 3.758 0.777 1.00 0.00 C ATOM 532 C LEU A 35 1.435 3.126 -0.146 1.00 0.00 C ATOM 533 O LEU A 35 1.285 1.922 -0.196 1.00 0.00 O ATOM 534 CB LEU A 35 3.474 4.572 -0.059 1.00 0.00 C ATOM 535 CG LEU A 35 4.515 5.208 0.862 1.00 0.00 C ATOM 536 CD1 LEU A 35 5.702 4.257 1.024 1.00 0.00 C ATOM 537 CD2 LEU A 35 4.998 6.526 0.252 1.00 0.00 C ATOM 0 H LEU A 35 3.378 1.827 0.979 1.00 0.00 H new ATOM 0 HA LEU A 35 1.990 4.412 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.964 3.929 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.945 5.345 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 35 4.068 5.400 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.444 4.710 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.359 3.318 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.150 4.064 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.740 6.980 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.445 6.333 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.153 7.205 0.136 1.00 0.00 H new ATOM 549 N VAL A 36 0.706 3.930 -0.878 1.00 0.00 N ATOM 550 CA VAL A 36 -0.331 3.372 -1.799 1.00 0.00 C ATOM 551 C VAL A 36 -0.218 4.061 -3.162 1.00 0.00 C ATOM 552 O VAL A 36 0.553 4.983 -3.332 1.00 0.00 O ATOM 553 CB VAL A 36 -1.730 3.609 -1.220 1.00 0.00 C ATOM 554 CG1 VAL A 36 -2.157 2.389 -0.402 1.00 0.00 C ATOM 555 CG2 VAL A 36 -1.714 4.844 -0.317 1.00 0.00 C ATOM 0 H VAL A 36 0.784 4.947 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.172 2.300 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.434 3.768 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.152 2.557 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.174 1.508 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.449 2.231 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.711 5.008 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.008 4.689 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.412 5.716 -0.898 1.00 0.00 H new ATOM 565 N ARG A 37 -0.975 3.627 -4.139 1.00 0.00 N ATOM 566 CA ARG A 37 -0.890 4.272 -5.479 1.00 0.00 C ATOM 567 C ARG A 37 -2.090 3.854 -6.329 1.00 0.00 C ATOM 568 O ARG A 37 -2.988 3.179 -5.866 1.00 0.00 O ATOM 569 CB ARG A 37 0.404 3.842 -6.174 1.00 0.00 C ATOM 570 CG ARG A 37 0.589 2.330 -6.029 1.00 0.00 C ATOM 571 CD ARG A 37 2.072 2.016 -5.827 1.00 0.00 C ATOM 572 NE ARG A 37 2.888 2.872 -6.733 1.00 0.00 N ATOM 573 CZ ARG A 37 4.171 3.002 -6.531 1.00 0.00 C ATOM 574 NH1 ARG A 37 4.865 1.994 -6.078 1.00 0.00 N ATOM 575 NH2 ARG A 37 4.760 4.138 -6.781 1.00 0.00 N ATOM 0 H ARG A 37 -1.643 2.859 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.894 5.355 -5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.370 4.114 -7.229 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.254 4.366 -5.737 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.009 1.961 -5.183 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.216 1.820 -6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.354 2.194 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.263 0.963 -6.034 1.00 0.00 H new ATOM 0 HE ARG A 37 2.443 3.357 -7.512 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.405 1.105 -5.882 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.868 2.095 -5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.218 4.926 -7.135 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.763 4.238 -6.623 1.00 0.00 H new ATOM 589 N LYS A 38 -2.114 4.252 -7.572 1.00 0.00 N ATOM 590 CA LYS A 38 -3.255 3.880 -8.454 1.00 0.00 C ATOM 591 C LYS A 38 -2.720 3.379 -9.797 1.00 0.00 C ATOM 592 O LYS A 38 -1.846 3.979 -10.391 1.00 0.00 O ATOM 593 CB LYS A 38 -4.142 5.105 -8.683 1.00 0.00 C ATOM 594 CG LYS A 38 -4.384 5.817 -7.350 1.00 0.00 C ATOM 595 CD LYS A 38 -5.887 6.001 -7.135 1.00 0.00 C ATOM 596 CE LYS A 38 -6.287 5.403 -5.784 1.00 0.00 C ATOM 597 NZ LYS A 38 -6.971 6.443 -4.963 1.00 0.00 N ATOM 0 H LYS A 38 -1.391 4.820 -8.015 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.839 3.092 -7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.666 5.785 -9.389 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.092 4.802 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.957 5.236 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.884 6.786 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.142 7.060 -7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.442 5.516 -7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.948 4.549 -5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.404 5.035 -5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.258 6.032 -4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.320 7.237 -4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.813 6.786 -5.468 1.00 0.00 H new ATOM 611 N ARG A 39 -3.236 2.282 -10.279 1.00 0.00 N ATOM 612 CA ARG A 39 -2.756 1.744 -11.583 1.00 0.00 C ATOM 613 C ARG A 39 -3.370 2.556 -12.725 1.00 0.00 C ATOM 614 O ARG A 39 -3.956 3.599 -12.513 1.00 0.00 O ATOM 615 CB ARG A 39 -3.177 0.278 -11.714 1.00 0.00 C ATOM 616 CG ARG A 39 -2.128 -0.615 -11.050 1.00 0.00 C ATOM 617 CD ARG A 39 -0.833 -0.573 -11.863 1.00 0.00 C ATOM 618 NE ARG A 39 -1.121 -0.917 -13.287 1.00 0.00 N ATOM 619 CZ ARG A 39 -2.025 -1.814 -13.574 1.00 0.00 C ATOM 620 NH1 ARG A 39 -2.138 -2.887 -12.837 1.00 0.00 N ATOM 621 NH2 ARG A 39 -2.814 -1.640 -14.598 1.00 0.00 N ATOM 0 H ARG A 39 -3.969 1.735 -9.827 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.669 1.816 -11.630 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.149 0.125 -11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.284 0.012 -12.766 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.941 -0.278 -10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.496 -1.639 -10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.386 0.419 -11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.109 -1.275 -11.449 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.611 -0.450 -14.037 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.520 -3.024 -12.037 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.844 -3.588 -13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.725 -0.803 -15.174 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.520 -2.341 -14.822 1.00 0.00 H new ATOM 635 N ASN A 40 -3.243 2.085 -13.935 1.00 0.00 N ATOM 636 CA ASN A 40 -3.820 2.829 -15.089 1.00 0.00 C ATOM 637 C ASN A 40 -5.280 2.410 -15.286 1.00 0.00 C ATOM 638 O ASN A 40 -5.739 2.231 -16.397 1.00 0.00 O ATOM 639 CB ASN A 40 -3.020 2.508 -16.353 1.00 0.00 C ATOM 640 CG ASN A 40 -2.699 3.804 -17.097 1.00 0.00 C ATOM 641 OD1 ASN A 40 -2.132 4.718 -16.532 1.00 0.00 O ATOM 642 ND2 ASN A 40 -3.039 3.924 -18.351 1.00 0.00 N ATOM 0 H ASN A 40 -2.764 1.217 -14.174 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.773 3.900 -14.893 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.098 1.989 -16.091 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.590 1.838 -16.997 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.829 4.785 -18.856 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.515 3.157 -18.826 1.00 0.00 H new ATOM 649 N GLU A 41 -6.011 2.253 -14.216 1.00 0.00 N ATOM 650 CA GLU A 41 -7.438 1.847 -14.341 1.00 0.00 C ATOM 651 C GLU A 41 -8.137 2.029 -12.990 1.00 0.00 C ATOM 652 O GLU A 41 -7.562 1.762 -11.954 1.00 0.00 O ATOM 653 CB GLU A 41 -7.516 0.378 -14.761 1.00 0.00 C ATOM 654 CG GLU A 41 -7.898 0.287 -16.240 1.00 0.00 C ATOM 655 CD GLU A 41 -9.390 -0.023 -16.365 1.00 0.00 C ATOM 656 OE1 GLU A 41 -9.856 -0.895 -15.648 1.00 0.00 O ATOM 657 OE2 GLU A 41 -10.043 0.615 -17.175 1.00 0.00 O ATOM 0 H GLU A 41 -5.681 2.389 -13.261 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.929 2.465 -15.093 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.556 -0.111 -14.592 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.252 -0.146 -14.152 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.668 1.226 -16.744 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.312 -0.490 -16.730 1.00 0.00 H new ATOM 664 N PRO A 42 -9.361 2.481 -13.049 1.00 0.00 N ATOM 665 CA PRO A 42 -10.228 2.735 -11.868 1.00 0.00 C ATOM 666 C PRO A 42 -10.845 1.424 -11.373 1.00 0.00 C ATOM 667 O PRO A 42 -11.718 1.419 -10.529 1.00 0.00 O ATOM 668 CB PRO A 42 -11.322 3.679 -12.362 1.00 0.00 C ATOM 669 CG PRO A 42 -11.404 3.479 -13.879 1.00 0.00 C ATOM 670 CD PRO A 42 -10.087 2.818 -14.306 1.00 0.00 C ATOM 0 HA PRO A 42 -9.667 3.163 -11.037 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.276 3.452 -11.887 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.083 4.714 -12.118 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.255 2.851 -14.142 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.542 4.433 -14.389 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.276 1.922 -14.898 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.497 3.492 -14.927 1.00 0.00 H new ATOM 678 N ASN A 43 -10.401 0.313 -11.894 1.00 0.00 N ATOM 679 CA ASN A 43 -10.967 -0.994 -11.455 1.00 0.00 C ATOM 680 C ASN A 43 -9.991 -1.686 -10.500 1.00 0.00 C ATOM 681 O ASN A 43 -9.934 -2.897 -10.432 1.00 0.00 O ATOM 682 CB ASN A 43 -11.198 -1.884 -12.679 1.00 0.00 C ATOM 683 CG ASN A 43 -12.694 -2.149 -12.842 1.00 0.00 C ATOM 684 OD1 ASN A 43 -13.440 -1.274 -13.237 1.00 0.00 O ATOM 685 ND2 ASN A 43 -13.171 -3.330 -12.555 1.00 0.00 N ATOM 0 H ASN A 43 -9.671 0.254 -12.604 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.913 -0.823 -10.941 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.804 -1.400 -13.573 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.662 -2.826 -12.563 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.168 -3.517 -12.662 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.547 -4.065 -12.223 1.00 0.00 H new ATOM 692 N SER A 44 -9.226 -0.923 -9.760 1.00 0.00 N ATOM 693 CA SER A 44 -8.251 -1.531 -8.805 1.00 0.00 C ATOM 694 C SER A 44 -7.261 -0.460 -8.337 1.00 0.00 C ATOM 695 O SER A 44 -7.275 0.661 -8.805 1.00 0.00 O ATOM 696 CB SER A 44 -7.480 -2.655 -9.499 1.00 0.00 C ATOM 697 OG SER A 44 -7.376 -2.364 -10.887 1.00 0.00 O ATOM 0 H SER A 44 -9.235 0.097 -9.777 1.00 0.00 H new ATOM 0 HA SER A 44 -8.792 -1.935 -7.949 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.487 -2.755 -9.061 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.991 -3.607 -9.352 1.00 0.00 H new ATOM 0 HG SER A 44 -6.881 -3.081 -11.335 1.00 0.00 H new ATOM 703 N TYR A 45 -6.395 -0.802 -7.420 1.00 0.00 N ATOM 704 CA TYR A 45 -5.395 0.190 -6.925 1.00 0.00 C ATOM 705 C TYR A 45 -4.048 -0.514 -6.751 1.00 0.00 C ATOM 706 O TYR A 45 -3.860 -1.620 -7.216 1.00 0.00 O ATOM 707 CB TYR A 45 -5.857 0.761 -5.583 1.00 0.00 C ATOM 708 CG TYR A 45 -7.297 1.199 -5.691 1.00 0.00 C ATOM 709 CD1 TYR A 45 -7.622 2.364 -6.397 1.00 0.00 C ATOM 710 CD2 TYR A 45 -8.309 0.443 -5.085 1.00 0.00 C ATOM 711 CE1 TYR A 45 -8.957 2.773 -6.498 1.00 0.00 C ATOM 712 CE2 TYR A 45 -9.644 0.852 -5.186 1.00 0.00 C ATOM 713 CZ TYR A 45 -9.969 2.017 -5.892 1.00 0.00 C ATOM 714 OH TYR A 45 -11.285 2.420 -5.993 1.00 0.00 O ATOM 0 H TYR A 45 -6.337 -1.726 -6.992 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.296 1.006 -7.641 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.752 0.009 -4.801 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.229 1.606 -5.300 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.842 2.947 -6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.059 -0.455 -4.540 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.207 3.671 -7.043 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.424 0.269 -4.719 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.859 1.784 -5.518 1.00 0.00 H new ATOM 724 N ALA A 46 -3.105 0.103 -6.086 1.00 0.00 N ATOM 725 CA ALA A 46 -1.789 -0.566 -5.904 1.00 0.00 C ATOM 726 C ALA A 46 -1.156 -0.104 -4.595 1.00 0.00 C ATOM 727 O ALA A 46 -1.703 0.713 -3.886 1.00 0.00 O ATOM 728 CB ALA A 46 -0.868 -0.216 -7.075 1.00 0.00 C ATOM 0 H ALA A 46 -3.190 1.029 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.934 -1.646 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.096 -0.707 -6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.320 -0.555 -8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.723 0.864 -7.113 1.00 0.00 H new ATOM 734 N ILE A 47 -0.008 -0.625 -4.269 1.00 0.00 N ATOM 735 CA ILE A 47 0.661 -0.219 -3.004 1.00 0.00 C ATOM 736 C ILE A 47 2.177 -0.336 -3.186 1.00 0.00 C ATOM 737 O ILE A 47 2.657 -0.940 -4.126 1.00 0.00 O ATOM 738 CB ILE A 47 0.165 -1.126 -1.860 1.00 0.00 C ATOM 739 CG1 ILE A 47 -0.953 -0.409 -1.099 1.00 0.00 C ATOM 740 CG2 ILE A 47 1.300 -1.457 -0.880 1.00 0.00 C ATOM 741 CD1 ILE A 47 -1.714 -1.418 -0.237 1.00 0.00 C ATOM 0 H ILE A 47 0.497 -1.316 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 47 0.420 0.814 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.200 -2.056 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.534 0.378 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.634 0.072 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.919 -2.098 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.100 -1.974 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.688 -0.535 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.510 -0.907 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.146 -2.189 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.029 -1.879 0.475 1.00 0.00 H new ATOM 753 N SER A 48 2.933 0.240 -2.294 1.00 0.00 N ATOM 754 CA SER A 48 4.413 0.166 -2.415 1.00 0.00 C ATOM 755 C SER A 48 5.030 0.000 -1.027 1.00 0.00 C ATOM 756 O SER A 48 5.116 0.938 -0.258 1.00 0.00 O ATOM 757 CB SER A 48 4.934 1.454 -3.054 1.00 0.00 C ATOM 758 OG SER A 48 4.777 2.529 -2.138 1.00 0.00 O ATOM 0 H SER A 48 2.589 0.759 -1.486 1.00 0.00 H new ATOM 0 HA SER A 48 4.686 -0.686 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.984 1.341 -3.323 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.389 1.663 -3.975 1.00 0.00 H new ATOM 0 HG SER A 48 5.302 2.350 -1.330 1.00 0.00 H new ATOM 764 N PHE A 49 5.466 -1.186 -0.699 1.00 0.00 N ATOM 765 CA PHE A 49 6.084 -1.404 0.637 1.00 0.00 C ATOM 766 C PHE A 49 7.597 -1.210 0.526 1.00 0.00 C ATOM 767 O PHE A 49 8.184 -1.418 -0.517 1.00 0.00 O ATOM 768 CB PHE A 49 5.794 -2.829 1.118 1.00 0.00 C ATOM 769 CG PHE A 49 4.310 -3.021 1.325 1.00 0.00 C ATOM 770 CD1 PHE A 49 3.495 -1.935 1.671 1.00 0.00 C ATOM 771 CD2 PHE A 49 3.749 -4.295 1.178 1.00 0.00 C ATOM 772 CE1 PHE A 49 2.122 -2.125 1.868 1.00 0.00 C ATOM 773 CE2 PHE A 49 2.378 -4.486 1.376 1.00 0.00 C ATOM 774 CZ PHE A 49 1.563 -3.400 1.721 1.00 0.00 C ATOM 0 H PHE A 49 5.421 -2.011 -1.298 1.00 0.00 H new ATOM 0 HA PHE A 49 5.667 -0.692 1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.162 -3.549 0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 49 6.326 -3.021 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.926 -0.951 1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.377 -5.132 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.494 -1.288 2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.948 -5.470 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.504 -3.546 1.873 1.00 0.00 H new ATOM 784 N ARG A 50 8.232 -0.817 1.594 1.00 0.00 N ATOM 785 CA ARG A 50 9.706 -0.614 1.549 1.00 0.00 C ATOM 786 C ARG A 50 10.364 -1.474 2.627 1.00 0.00 C ATOM 787 O ARG A 50 10.362 -1.131 3.792 1.00 0.00 O ATOM 788 CB ARG A 50 10.027 0.859 1.802 1.00 0.00 C ATOM 789 CG ARG A 50 10.342 1.548 0.473 1.00 0.00 C ATOM 790 CD ARG A 50 11.814 1.964 0.449 1.00 0.00 C ATOM 791 NE ARG A 50 12.662 0.771 0.168 1.00 0.00 N ATOM 792 CZ ARG A 50 13.909 0.926 -0.182 1.00 0.00 C ATOM 793 NH1 ARG A 50 14.202 1.344 -1.383 1.00 0.00 N ATOM 794 NH2 ARG A 50 14.863 0.659 0.667 1.00 0.00 N ATOM 0 H ARG A 50 7.794 -0.628 2.496 1.00 0.00 H new ATOM 0 HA ARG A 50 10.086 -0.902 0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.182 1.348 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.877 0.946 2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.130 0.874 -0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.704 2.422 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.975 2.726 -0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.094 2.406 1.405 1.00 0.00 H new ATOM 0 HE ARG A 50 12.267 -0.166 0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.456 1.549 -2.048 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.177 1.465 -1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.634 0.329 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.838 0.780 0.393 1.00 0.00 H new ATOM 808 N ALA A 51 10.922 -2.591 2.247 1.00 0.00 N ATOM 809 CA ALA A 51 11.576 -3.475 3.247 1.00 0.00 C ATOM 810 C ALA A 51 13.058 -3.105 3.359 1.00 0.00 C ATOM 811 O ALA A 51 13.533 -2.206 2.696 1.00 0.00 O ATOM 812 CB ALA A 51 11.442 -4.932 2.801 1.00 0.00 C ATOM 0 H ALA A 51 10.952 -2.928 1.285 1.00 0.00 H new ATOM 0 HA ALA A 51 11.097 -3.348 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.921 -5.582 3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.387 -5.192 2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.923 -5.061 1.831 1.00 0.00 H new ATOM 818 N GLU A 52 13.789 -3.787 4.198 1.00 0.00 N ATOM 819 CA GLU A 52 15.241 -3.462 4.351 1.00 0.00 C ATOM 820 C GLU A 52 15.978 -3.757 3.041 1.00 0.00 C ATOM 821 O GLU A 52 16.462 -4.847 2.816 1.00 0.00 O ATOM 822 CB GLU A 52 15.874 -4.281 5.492 1.00 0.00 C ATOM 823 CG GLU A 52 15.114 -5.596 5.722 1.00 0.00 C ATOM 824 CD GLU A 52 14.959 -6.349 4.399 1.00 0.00 C ATOM 825 OE1 GLU A 52 15.936 -6.929 3.954 1.00 0.00 O ATOM 826 OE2 GLU A 52 13.867 -6.339 3.857 1.00 0.00 O ATOM 0 H GLU A 52 13.449 -4.551 4.782 1.00 0.00 H new ATOM 0 HA GLU A 52 15.329 -2.403 4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.915 -4.497 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.873 -3.692 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.651 -6.215 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.133 -5.389 6.149 1.00 0.00 H new ATOM 833 N GLY A 53 16.072 -2.785 2.173 1.00 0.00 N ATOM 834 CA GLY A 53 16.779 -3.006 0.880 1.00 0.00 C ATOM 835 C GLY A 53 15.893 -3.836 -0.050 1.00 0.00 C ATOM 836 O GLY A 53 16.373 -4.542 -0.915 1.00 0.00 O ATOM 0 H GLY A 53 15.690 -1.848 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 53 17.017 -2.049 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 53 17.725 -3.520 1.053 1.00 0.00 H new ATOM 840 N LYS A 54 14.601 -3.757 0.119 1.00 0.00 N ATOM 841 CA LYS A 54 13.685 -4.542 -0.756 1.00 0.00 C ATOM 842 C LYS A 54 12.420 -3.727 -1.035 1.00 0.00 C ATOM 843 O LYS A 54 12.230 -2.654 -0.500 1.00 0.00 O ATOM 844 CB LYS A 54 13.304 -5.848 -0.055 1.00 0.00 C ATOM 845 CG LYS A 54 14.570 -6.560 0.422 1.00 0.00 C ATOM 846 CD LYS A 54 14.184 -7.812 1.211 1.00 0.00 C ATOM 847 CE LYS A 54 14.569 -9.057 0.410 1.00 0.00 C ATOM 848 NZ LYS A 54 16.044 -9.079 0.205 1.00 0.00 N ATOM 0 H LYS A 54 14.141 -3.183 0.825 1.00 0.00 H new ATOM 0 HA LYS A 54 14.187 -4.767 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.650 -5.641 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.748 -6.491 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.191 -6.832 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.163 -5.892 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.690 -7.817 2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.113 -7.812 1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.251 -9.955 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.057 -9.056 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.388 -10.059 0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.270 -8.687 -0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.505 -8.506 0.941 1.00 0.00 H new ATOM 862 N ILE A 55 11.552 -4.231 -1.871 1.00 0.00 N ATOM 863 CA ILE A 55 10.300 -3.488 -2.186 1.00 0.00 C ATOM 864 C ILE A 55 9.155 -4.483 -2.389 1.00 0.00 C ATOM 865 O ILE A 55 9.223 -5.356 -3.232 1.00 0.00 O ATOM 866 CB ILE A 55 10.501 -2.676 -3.467 1.00 0.00 C ATOM 867 CG1 ILE A 55 11.726 -1.771 -3.309 1.00 0.00 C ATOM 868 CG2 ILE A 55 9.263 -1.817 -3.729 1.00 0.00 C ATOM 869 CD1 ILE A 55 11.405 -0.644 -2.326 1.00 0.00 C ATOM 0 H ILE A 55 11.657 -5.126 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 55 10.057 -2.817 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 55 10.655 -3.355 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.576 -2.351 -2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.011 -1.355 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.408 -1.239 -4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.391 -2.461 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.107 -1.138 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.277 0.000 -2.214 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.568 -0.058 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.141 -1.070 -1.358 1.00 0.00 H new ATOM 881 N LYS A 56 8.101 -4.361 -1.627 1.00 0.00 N ATOM 882 CA LYS A 56 6.958 -5.304 -1.787 1.00 0.00 C ATOM 883 C LYS A 56 5.691 -4.524 -2.139 1.00 0.00 C ATOM 884 O LYS A 56 4.892 -4.202 -1.282 1.00 0.00 O ATOM 885 CB LYS A 56 6.723 -6.066 -0.476 1.00 0.00 C ATOM 886 CG LYS A 56 7.549 -7.357 -0.456 1.00 0.00 C ATOM 887 CD LYS A 56 7.334 -8.140 -1.753 1.00 0.00 C ATOM 888 CE LYS A 56 7.359 -9.639 -1.454 1.00 0.00 C ATOM 889 NZ LYS A 56 8.698 -10.194 -1.805 1.00 0.00 N ATOM 0 H LYS A 56 7.983 -3.652 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 56 7.192 -6.009 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.997 -5.438 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.664 -6.302 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.606 -7.120 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.261 -7.969 0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.380 -7.864 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.111 -7.889 -2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.146 -9.814 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.582 -10.147 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.715 -11.214 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.884 -10.039 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.430 -9.716 -1.242 1.00 0.00 H new ATOM 903 N HIS A 57 5.487 -4.230 -3.392 1.00 0.00 N ATOM 904 CA HIS A 57 4.256 -3.488 -3.779 1.00 0.00 C ATOM 905 C HIS A 57 3.050 -4.400 -3.555 1.00 0.00 C ATOM 906 O HIS A 57 3.197 -5.562 -3.242 1.00 0.00 O ATOM 907 CB HIS A 57 4.336 -3.095 -5.256 1.00 0.00 C ATOM 908 CG HIS A 57 5.416 -2.066 -5.444 1.00 0.00 C ATOM 909 ND1 HIS A 57 5.709 -1.520 -6.684 1.00 0.00 N ATOM 910 CD2 HIS A 57 6.283 -1.474 -4.558 1.00 0.00 C ATOM 911 CE1 HIS A 57 6.716 -0.642 -6.512 1.00 0.00 C ATOM 912 NE2 HIS A 57 7.103 -0.576 -5.236 1.00 0.00 N ATOM 0 H HIS A 57 6.114 -4.469 -4.160 1.00 0.00 H new ATOM 0 HA HIS A 57 4.159 -2.584 -3.177 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.546 -3.974 -5.866 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.378 -2.697 -5.590 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.247 -1.742 -7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.323 -1.675 -3.498 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.157 -0.062 -7.309 1.00 0.00 H new ATOM 920 N CYS A 58 1.862 -3.890 -3.713 1.00 0.00 N ATOM 921 CA CYS A 58 0.654 -4.740 -3.512 1.00 0.00 C ATOM 922 C CYS A 58 -0.478 -4.202 -4.389 1.00 0.00 C ATOM 923 O CYS A 58 -0.908 -3.075 -4.244 1.00 0.00 O ATOM 924 CB CYS A 58 0.241 -4.714 -2.037 1.00 0.00 C ATOM 925 SG CYS A 58 -1.416 -5.422 -1.851 1.00 0.00 S ATOM 0 H CYS A 58 1.674 -2.922 -3.973 1.00 0.00 H new ATOM 0 HA CYS A 58 0.873 -5.771 -3.792 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.957 -5.279 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.253 -3.690 -1.665 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.760 -5.399 -0.597 1.00 0.00 H new ATOM 931 N ARG A 59 -0.950 -4.993 -5.313 1.00 0.00 N ATOM 932 CA ARG A 59 -2.037 -4.523 -6.217 1.00 0.00 C ATOM 933 C ARG A 59 -3.395 -5.027 -5.722 1.00 0.00 C ATOM 934 O ARG A 59 -3.675 -6.209 -5.743 1.00 0.00 O ATOM 935 CB ARG A 59 -1.782 -5.055 -7.629 1.00 0.00 C ATOM 936 CG ARG A 59 -2.655 -4.296 -8.628 1.00 0.00 C ATOM 937 CD ARG A 59 -3.670 -5.255 -9.252 1.00 0.00 C ATOM 938 NE ARG A 59 -3.460 -5.308 -10.727 1.00 0.00 N ATOM 939 CZ ARG A 59 -4.013 -6.257 -11.432 1.00 0.00 C ATOM 940 NH1 ARG A 59 -4.012 -7.485 -10.987 1.00 0.00 N ATOM 941 NH2 ARG A 59 -4.566 -5.979 -12.580 1.00 0.00 N ATOM 0 H ARG A 59 -0.629 -5.946 -5.481 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.047 -3.433 -6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.730 -4.938 -7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.005 -6.121 -7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.172 -3.478 -8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.034 -3.851 -9.405 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.558 -6.250 -8.822 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.684 -4.923 -9.030 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.884 -4.602 -11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.579 -7.702 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.444 -8.227 -11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.566 -5.020 -12.927 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.998 -6.721 -13.131 1.00 0.00 H new ATOM 955 N VAL A 60 -4.248 -4.136 -5.294 1.00 0.00 N ATOM 956 CA VAL A 60 -5.595 -4.561 -4.818 1.00 0.00 C ATOM 957 C VAL A 60 -6.519 -4.690 -6.031 1.00 0.00 C ATOM 958 O VAL A 60 -6.301 -4.062 -7.051 1.00 0.00 O ATOM 959 CB VAL A 60 -6.154 -3.516 -3.851 1.00 0.00 C ATOM 960 CG1 VAL A 60 -6.446 -2.221 -4.608 1.00 0.00 C ATOM 961 CG2 VAL A 60 -7.447 -4.042 -3.225 1.00 0.00 C ATOM 0 H VAL A 60 -4.070 -3.132 -5.254 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.524 -5.517 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.422 -3.320 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.844 -1.478 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.525 -1.845 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.177 -2.415 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.846 -3.298 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.177 -4.239 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.240 -4.965 -2.683 1.00 0.00 H new ATOM 971 N GLN A 61 -7.539 -5.498 -5.944 1.00 0.00 N ATOM 972 CA GLN A 61 -8.449 -5.657 -7.115 1.00 0.00 C ATOM 973 C GLN A 61 -9.857 -5.187 -6.756 1.00 0.00 C ATOM 974 O GLN A 61 -10.120 -4.765 -5.648 1.00 0.00 O ATOM 975 CB GLN A 61 -8.497 -7.131 -7.522 1.00 0.00 C ATOM 976 CG GLN A 61 -7.226 -7.491 -8.293 1.00 0.00 C ATOM 977 CD GLN A 61 -7.595 -8.319 -9.526 1.00 0.00 C ATOM 978 OE1 GLN A 61 -7.072 -8.096 -10.600 1.00 0.00 O ATOM 979 NE2 GLN A 61 -8.482 -9.271 -9.417 1.00 0.00 N ATOM 0 H GLN A 61 -7.781 -6.051 -5.122 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.073 -5.055 -7.942 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.588 -7.761 -6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.375 -7.320 -8.140 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.701 -6.584 -8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.547 -8.054 -7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.921 -9.458 -8.516 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.736 -9.827 -10.233 1.00 0.00 H new ATOM 988 N GLN A 62 -10.763 -5.260 -7.692 1.00 0.00 N ATOM 989 CA GLN A 62 -12.158 -4.823 -7.417 1.00 0.00 C ATOM 990 C GLN A 62 -13.134 -5.760 -8.134 1.00 0.00 C ATOM 991 O GLN A 62 -12.981 -6.054 -9.303 1.00 0.00 O ATOM 992 CB GLN A 62 -12.357 -3.392 -7.923 1.00 0.00 C ATOM 993 CG GLN A 62 -13.829 -2.996 -7.782 1.00 0.00 C ATOM 994 CD GLN A 62 -14.286 -2.274 -9.051 1.00 0.00 C ATOM 995 OE1 GLN A 62 -14.642 -2.904 -10.027 1.00 0.00 O ATOM 996 NE2 GLN A 62 -14.292 -0.970 -9.078 1.00 0.00 N ATOM 0 H GLN A 62 -10.595 -5.605 -8.637 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.344 -4.855 -6.343 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.729 -2.705 -7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.049 -3.318 -8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.441 -3.882 -7.615 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.961 -2.349 -6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.993 -0.442 -8.258 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.596 -0.479 -9.919 1.00 0.00 H new ATOM 1005 N GLU A 63 -14.138 -6.230 -7.444 1.00 0.00 N ATOM 1006 CA GLU A 63 -15.120 -7.147 -8.089 1.00 0.00 C ATOM 1007 C GLU A 63 -16.187 -6.323 -8.813 1.00 0.00 C ATOM 1008 O GLU A 63 -16.188 -5.109 -8.763 1.00 0.00 O ATOM 1009 CB GLU A 63 -15.786 -8.015 -7.020 1.00 0.00 C ATOM 1010 CG GLU A 63 -15.488 -9.489 -7.300 1.00 0.00 C ATOM 1011 CD GLU A 63 -16.551 -10.362 -6.632 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -16.381 -10.680 -5.466 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -17.518 -10.696 -7.295 1.00 0.00 O ATOM 0 H GLU A 63 -14.320 -6.019 -6.463 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.604 -7.785 -8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.417 -7.740 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.863 -7.845 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.476 -9.671 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.499 -9.749 -6.922 1.00 0.00 H new ATOM 1020 N GLY A 64 -17.093 -6.974 -9.490 1.00 0.00 N ATOM 1021 CA GLY A 64 -18.157 -6.229 -10.221 1.00 0.00 C ATOM 1022 C GLY A 64 -19.156 -5.639 -9.223 1.00 0.00 C ATOM 1023 O GLY A 64 -19.832 -4.671 -9.509 1.00 0.00 O ATOM 0 H GLY A 64 -17.142 -7.990 -9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.712 -5.433 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -18.671 -6.896 -10.913 1.00 0.00 H new ATOM 1027 N GLN A 65 -19.257 -6.213 -8.056 1.00 0.00 N ATOM 1028 CA GLN A 65 -20.216 -5.678 -7.047 1.00 0.00 C ATOM 1029 C GLN A 65 -19.482 -4.731 -6.095 1.00 0.00 C ATOM 1030 O GLN A 65 -19.852 -3.585 -5.935 1.00 0.00 O ATOM 1031 CB GLN A 65 -20.819 -6.835 -6.246 1.00 0.00 C ATOM 1032 CG GLN A 65 -21.183 -7.980 -7.193 1.00 0.00 C ATOM 1033 CD GLN A 65 -22.013 -9.018 -6.436 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -22.791 -9.740 -7.029 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -21.881 -9.125 -5.143 1.00 0.00 N ATOM 0 H GLN A 65 -18.719 -7.027 -7.757 1.00 0.00 H new ATOM 0 HA GLN A 65 -21.012 -5.137 -7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.107 -7.182 -5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.706 -6.497 -5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.746 -7.598 -8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.278 -8.440 -7.590 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -21.228 -8.519 -4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -22.430 -9.814 -4.630 1.00 0.00 H new ATOM 1044 N THR A 66 -18.443 -5.202 -5.463 1.00 0.00 N ATOM 1045 CA THR A 66 -17.683 -4.333 -4.523 1.00 0.00 C ATOM 1046 C THR A 66 -16.194 -4.407 -4.866 1.00 0.00 C ATOM 1047 O THR A 66 -15.822 -4.547 -6.013 1.00 0.00 O ATOM 1048 CB THR A 66 -17.905 -4.821 -3.091 1.00 0.00 C ATOM 1049 OG1 THR A 66 -19.089 -5.605 -3.037 1.00 0.00 O ATOM 1050 CG2 THR A 66 -18.041 -3.620 -2.154 1.00 0.00 C ATOM 0 H THR A 66 -18.087 -6.153 -5.558 1.00 0.00 H new ATOM 0 HA THR A 66 -18.027 -3.302 -4.611 1.00 0.00 H new ATOM 0 HB THR A 66 -17.054 -5.426 -2.778 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.881 -6.486 -2.661 1.00 0.00 H new ATOM 0 HG21 THR A 66 -18.199 -3.970 -1.134 1.00 0.00 H new ATOM 0 HG22 THR A 66 -17.131 -3.022 -2.195 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.890 -3.011 -2.464 1.00 0.00 H new ATOM 1058 N VAL A 67 -15.340 -4.320 -3.883 1.00 0.00 N ATOM 1059 CA VAL A 67 -13.880 -4.395 -4.164 1.00 0.00 C ATOM 1060 C VAL A 67 -13.261 -5.502 -3.309 1.00 0.00 C ATOM 1061 O VAL A 67 -13.779 -5.849 -2.267 1.00 0.00 O ATOM 1062 CB VAL A 67 -13.221 -3.060 -3.824 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -13.196 -2.884 -2.307 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -11.788 -3.047 -4.359 1.00 0.00 C ATOM 0 H VAL A 67 -15.590 -4.201 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.723 -4.614 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.786 -2.247 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.726 -1.932 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -14.216 -2.897 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.628 -3.697 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.318 -2.094 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.222 -3.858 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.802 -3.179 -5.441 1.00 0.00 H new ATOM 1074 N MET A 68 -12.157 -6.053 -3.734 1.00 0.00 N ATOM 1075 CA MET A 68 -11.512 -7.134 -2.943 1.00 0.00 C ATOM 1076 C MET A 68 -10.113 -6.689 -2.521 1.00 0.00 C ATOM 1077 O MET A 68 -9.241 -6.472 -3.347 1.00 0.00 O ATOM 1078 CB MET A 68 -11.409 -8.400 -3.796 1.00 0.00 C ATOM 1079 CG MET A 68 -12.071 -9.567 -3.062 1.00 0.00 C ATOM 1080 SD MET A 68 -11.187 -11.100 -3.447 1.00 0.00 S ATOM 1081 CE MET A 68 -12.486 -12.249 -2.930 1.00 0.00 C ATOM 0 H MET A 68 -11.675 -5.799 -4.596 1.00 0.00 H new ATOM 0 HA MET A 68 -12.111 -7.342 -2.056 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.893 -8.242 -4.760 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.363 -8.631 -3.998 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.060 -9.388 -1.987 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.116 -9.652 -3.360 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.148 -13.274 -3.084 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.709 -12.095 -1.874 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.385 -12.071 -3.520 1.00 0.00 H new ATOM 1091 N LEU A 69 -9.886 -6.555 -1.244 1.00 0.00 N ATOM 1092 CA LEU A 69 -8.541 -6.130 -0.777 1.00 0.00 C ATOM 1093 C LEU A 69 -7.602 -7.340 -0.815 1.00 0.00 C ATOM 1094 O LEU A 69 -6.569 -7.318 -1.453 1.00 0.00 O ATOM 1095 CB LEU A 69 -8.640 -5.575 0.655 1.00 0.00 C ATOM 1096 CG LEU A 69 -7.258 -5.162 1.182 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -6.550 -6.378 1.778 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -6.409 -4.576 0.047 1.00 0.00 C ATOM 0 H LEU A 69 -10.572 -6.721 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.150 -5.346 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.311 -4.716 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.073 -6.329 1.312 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.388 -4.403 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.570 -6.082 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.145 -6.779 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.430 -7.142 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.432 -4.288 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.282 -5.324 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.909 -3.700 -0.366 1.00 0.00 H new ATOM 1110 N GLY A 70 -7.960 -8.404 -0.147 1.00 0.00 N ATOM 1111 CA GLY A 70 -7.092 -9.615 -0.155 1.00 0.00 C ATOM 1112 C GLY A 70 -7.958 -10.864 -0.337 1.00 0.00 C ATOM 1113 O GLY A 70 -8.138 -11.351 -1.435 1.00 0.00 O ATOM 0 H GLY A 70 -8.815 -8.486 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.361 -9.546 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.533 -9.680 0.778 1.00 0.00 H new ATOM 1117 N ASN A 71 -8.497 -11.382 0.732 1.00 0.00 N ATOM 1118 CA ASN A 71 -9.355 -12.596 0.623 1.00 0.00 C ATOM 1119 C ASN A 71 -10.821 -12.192 0.783 1.00 0.00 C ATOM 1120 O ASN A 71 -11.722 -12.955 0.496 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.975 -13.588 1.724 1.00 0.00 C ATOM 1122 CG ASN A 71 -9.101 -12.909 3.088 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -9.627 -11.818 3.191 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.637 -13.511 4.149 1.00 0.00 N ATOM 0 H ASN A 71 -8.380 -11.017 1.677 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.209 -13.063 -0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.624 -14.463 1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.954 -13.940 1.574 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.716 -13.066 5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.195 -14.427 4.064 1.00 0.00 H new ATOM 1131 N SER A 72 -11.065 -10.995 1.240 1.00 0.00 N ATOM 1132 CA SER A 72 -12.469 -10.535 1.420 1.00 0.00 C ATOM 1133 C SER A 72 -12.658 -9.197 0.705 1.00 0.00 C ATOM 1134 O SER A 72 -11.722 -8.618 0.189 1.00 0.00 O ATOM 1135 CB SER A 72 -12.763 -10.363 2.911 1.00 0.00 C ATOM 1136 OG SER A 72 -13.736 -9.341 3.083 1.00 0.00 O ATOM 0 H SER A 72 -10.350 -10.314 1.497 1.00 0.00 H new ATOM 0 HA SER A 72 -13.152 -11.273 1.000 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.125 -11.301 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.849 -10.105 3.446 1.00 0.00 H new ATOM 0 HG SER A 72 -13.928 -9.229 4.038 1.00 0.00 H new ATOM 1142 N GLU A 73 -13.863 -8.698 0.668 1.00 0.00 N ATOM 1143 CA GLU A 73 -14.106 -7.399 -0.015 1.00 0.00 C ATOM 1144 C GLU A 73 -14.332 -6.309 1.032 1.00 0.00 C ATOM 1145 O GLU A 73 -14.849 -6.563 2.101 1.00 0.00 O ATOM 1146 CB GLU A 73 -15.343 -7.516 -0.907 1.00 0.00 C ATOM 1147 CG GLU A 73 -16.452 -8.246 -0.148 1.00 0.00 C ATOM 1148 CD GLU A 73 -17.814 -7.775 -0.659 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -18.163 -8.132 -1.773 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -18.487 -7.066 0.072 1.00 0.00 O ATOM 0 H GLU A 73 -14.688 -9.134 1.081 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.241 -7.141 -0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.684 -6.525 -1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.096 -8.057 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.353 -9.323 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.365 -8.051 0.921 1.00 0.00 H new ATOM 1157 N PHE A 74 -13.948 -5.095 0.740 1.00 0.00 N ATOM 1158 CA PHE A 74 -14.146 -4.006 1.735 1.00 0.00 C ATOM 1159 C PHE A 74 -15.013 -2.895 1.142 1.00 0.00 C ATOM 1160 O PHE A 74 -15.261 -2.848 -0.044 1.00 0.00 O ATOM 1161 CB PHE A 74 -12.793 -3.435 2.148 1.00 0.00 C ATOM 1162 CG PHE A 74 -11.993 -3.040 0.931 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -11.389 -4.017 0.136 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -11.831 -1.688 0.620 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -10.623 -3.641 -0.976 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -11.064 -1.309 -0.488 1.00 0.00 C ATOM 1167 CZ PHE A 74 -10.460 -2.286 -1.288 1.00 0.00 C ATOM 0 H PHE A 74 -13.510 -4.814 -0.137 1.00 0.00 H new ATOM 0 HA PHE A 74 -14.650 -4.417 2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -12.939 -2.568 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -12.242 -4.174 2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.512 -5.062 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.298 -0.934 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.159 -4.397 -1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.938 -0.263 -0.726 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.869 -1.995 -2.144 1.00 0.00 H new ATOM 1177 N ASP A 75 -15.489 -2.007 1.972 1.00 0.00 N ATOM 1178 CA ASP A 75 -16.353 -0.901 1.474 1.00 0.00 C ATOM 1179 C ASP A 75 -15.502 0.286 1.008 1.00 0.00 C ATOM 1180 O ASP A 75 -15.947 1.098 0.222 1.00 0.00 O ATOM 1181 CB ASP A 75 -17.283 -0.442 2.599 1.00 0.00 C ATOM 1182 CG ASP A 75 -16.452 -0.060 3.824 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -16.071 1.096 3.919 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -16.209 -0.929 4.645 1.00 0.00 O ATOM 0 H ASP A 75 -15.315 -2.001 2.977 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.935 -1.267 0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.877 0.410 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.982 -1.238 2.855 1.00 0.00 H new ATOM 1189 N SER A 76 -14.290 0.411 1.484 1.00 0.00 N ATOM 1190 CA SER A 76 -13.453 1.570 1.052 1.00 0.00 C ATOM 1191 C SER A 76 -11.985 1.319 1.398 1.00 0.00 C ATOM 1192 O SER A 76 -11.663 0.832 2.463 1.00 0.00 O ATOM 1193 CB SER A 76 -13.935 2.834 1.765 1.00 0.00 C ATOM 1194 OG SER A 76 -13.673 2.717 3.158 1.00 0.00 O ATOM 0 H SER A 76 -13.848 -0.229 2.144 1.00 0.00 H new ATOM 0 HA SER A 76 -13.546 1.695 -0.027 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.428 3.710 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.002 2.977 1.595 1.00 0.00 H new ATOM 0 HG SER A 76 -14.395 2.210 3.585 1.00 0.00 H new ATOM 1200 N LEU A 77 -11.094 1.643 0.502 1.00 0.00 N ATOM 1201 CA LEU A 77 -9.646 1.419 0.773 1.00 0.00 C ATOM 1202 C LEU A 77 -9.161 2.404 1.839 1.00 0.00 C ATOM 1203 O LEU A 77 -8.063 2.292 2.346 1.00 0.00 O ATOM 1204 CB LEU A 77 -8.847 1.630 -0.517 1.00 0.00 C ATOM 1205 CG LEU A 77 -7.943 0.421 -0.760 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -7.966 0.056 -2.245 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -6.511 0.764 -0.346 1.00 0.00 C ATOM 0 H LEU A 77 -11.306 2.054 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.500 0.400 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.525 1.766 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.247 2.537 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.302 -0.423 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.321 -0.806 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.985 -0.188 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.607 0.901 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.866 -0.097 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.154 1.609 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.491 1.026 0.712 1.00 0.00 H new ATOM 1219 N VAL A 78 -9.968 3.369 2.184 1.00 0.00 N ATOM 1220 CA VAL A 78 -9.541 4.354 3.217 1.00 0.00 C ATOM 1221 C VAL A 78 -9.773 3.768 4.607 1.00 0.00 C ATOM 1222 O VAL A 78 -8.907 3.807 5.458 1.00 0.00 O ATOM 1223 CB VAL A 78 -10.341 5.648 3.060 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -11.793 5.414 3.485 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -9.722 6.731 3.945 1.00 0.00 C ATOM 0 H VAL A 78 -10.900 3.518 1.798 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.481 4.573 3.091 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.319 5.964 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.359 6.339 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.235 4.639 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.820 5.098 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.288 7.656 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.748 6.409 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.688 6.901 3.643 1.00 0.00 H new ATOM 1235 N ASP A 79 -10.928 3.213 4.846 1.00 0.00 N ATOM 1236 CA ASP A 79 -11.197 2.616 6.182 1.00 0.00 C ATOM 1237 C ASP A 79 -10.485 1.266 6.261 1.00 0.00 C ATOM 1238 O ASP A 79 -10.232 0.739 7.329 1.00 0.00 O ATOM 1239 CB ASP A 79 -12.704 2.416 6.359 1.00 0.00 C ATOM 1240 CG ASP A 79 -13.333 3.711 6.875 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -13.263 4.703 6.169 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -13.874 3.688 7.968 1.00 0.00 O ATOM 0 H ASP A 79 -11.694 3.147 4.176 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.833 3.276 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.158 2.132 5.410 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.894 1.603 7.059 1.00 0.00 H new ATOM 1247 N LEU A 80 -10.150 0.708 5.128 1.00 0.00 N ATOM 1248 CA LEU A 80 -9.447 -0.604 5.116 1.00 0.00 C ATOM 1249 C LEU A 80 -7.985 -0.386 5.496 1.00 0.00 C ATOM 1250 O LEU A 80 -7.417 -1.127 6.272 1.00 0.00 O ATOM 1251 CB LEU A 80 -9.533 -1.214 3.713 1.00 0.00 C ATOM 1252 CG LEU A 80 -10.315 -2.534 3.751 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -9.407 -3.650 4.268 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -11.536 -2.402 4.670 1.00 0.00 C ATOM 0 H LEU A 80 -10.335 1.108 4.208 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.913 -1.283 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.021 -0.514 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.530 -1.389 3.323 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.655 -2.773 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.962 -4.588 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.548 -3.756 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.063 -3.403 5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.082 -3.345 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.207 -2.154 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.188 -1.612 4.297 1.00 0.00 H new ATOM 1266 N ILE A 81 -7.372 0.634 4.966 1.00 0.00 N ATOM 1267 CA ILE A 81 -5.952 0.906 5.312 1.00 0.00 C ATOM 1268 C ILE A 81 -5.908 1.499 6.727 1.00 0.00 C ATOM 1269 O ILE A 81 -4.949 1.331 7.458 1.00 0.00 O ATOM 1270 CB ILE A 81 -5.357 1.883 4.273 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -4.379 1.121 3.376 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -4.610 3.040 4.953 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -5.047 0.800 2.040 1.00 0.00 C ATOM 0 H ILE A 81 -7.793 1.290 4.309 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.359 -0.009 5.294 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.176 2.300 3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.482 1.718 3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.063 0.200 3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.204 3.708 4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.299 3.593 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.796 2.642 5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.347 0.257 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.931 0.186 2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.340 1.727 1.548 1.00 0.00 H new ATOM 1285 N SER A 82 -6.946 2.190 7.113 1.00 0.00 N ATOM 1286 CA SER A 82 -6.979 2.800 8.471 1.00 0.00 C ATOM 1287 C SER A 82 -6.854 1.709 9.534 1.00 0.00 C ATOM 1288 O SER A 82 -5.945 1.722 10.340 1.00 0.00 O ATOM 1289 CB SER A 82 -8.297 3.552 8.663 1.00 0.00 C ATOM 1290 OG SER A 82 -9.379 2.634 8.581 1.00 0.00 O ATOM 0 H SER A 82 -7.775 2.358 6.543 1.00 0.00 H new ATOM 0 HA SER A 82 -6.145 3.495 8.571 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.304 4.055 9.630 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.402 4.325 7.901 1.00 0.00 H new ATOM 0 HG SER A 82 -9.138 1.897 7.982 1.00 0.00 H new ATOM 1296 N TYR A 83 -7.757 0.762 9.553 1.00 0.00 N ATOM 1297 CA TYR A 83 -7.661 -0.313 10.581 1.00 0.00 C ATOM 1298 C TYR A 83 -6.539 -1.287 10.199 1.00 0.00 C ATOM 1299 O TYR A 83 -6.212 -2.194 10.938 1.00 0.00 O ATOM 1300 CB TYR A 83 -9.010 -1.042 10.704 1.00 0.00 C ATOM 1301 CG TYR A 83 -9.114 -2.162 9.695 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -8.938 -1.898 8.334 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -9.397 -3.464 10.125 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -9.044 -2.937 7.400 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -9.503 -4.503 9.193 1.00 0.00 C ATOM 1306 CZ TYR A 83 -9.328 -4.239 7.831 1.00 0.00 C ATOM 1307 OH TYR A 83 -9.436 -5.262 6.910 1.00 0.00 O ATOM 0 H TYR A 83 -8.545 0.688 8.910 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.424 0.125 11.551 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.120 -1.444 11.711 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.825 -0.334 10.552 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.720 -0.894 8.002 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.534 -3.667 11.177 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.907 -2.734 6.348 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.720 -5.507 9.525 1.00 0.00 H new ATOM 0 HH TYR A 83 -8.639 -5.275 6.341 1.00 0.00 H new ATOM 1317 N TYR A 84 -5.935 -1.091 9.056 1.00 0.00 N ATOM 1318 CA TYR A 84 -4.821 -1.988 8.639 1.00 0.00 C ATOM 1319 C TYR A 84 -3.515 -1.449 9.219 1.00 0.00 C ATOM 1320 O TYR A 84 -2.537 -2.157 9.341 1.00 0.00 O ATOM 1321 CB TYR A 84 -4.722 -2.018 7.113 1.00 0.00 C ATOM 1322 CG TYR A 84 -5.280 -3.318 6.584 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -6.228 -4.035 7.326 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -4.846 -3.808 5.347 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -6.740 -5.240 6.829 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -5.358 -5.012 4.851 1.00 0.00 C ATOM 1327 CZ TYR A 84 -6.306 -5.728 5.592 1.00 0.00 C ATOM 1328 OH TYR A 84 -6.812 -6.916 5.101 1.00 0.00 O ATOM 0 H TYR A 84 -6.166 -0.349 8.395 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.007 -2.998 9.004 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.271 -1.178 6.688 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.682 -1.907 6.806 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.564 -3.658 8.281 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.115 -3.256 4.775 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.470 -5.793 7.401 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.022 -5.389 3.896 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.727 -7.042 5.428 1.00 0.00 H new ATOM 1338 N GLU A 85 -3.496 -0.197 9.589 1.00 0.00 N ATOM 1339 CA GLU A 85 -2.255 0.381 10.171 1.00 0.00 C ATOM 1340 C GLU A 85 -1.956 -0.340 11.486 1.00 0.00 C ATOM 1341 O GLU A 85 -0.859 -0.285 12.004 1.00 0.00 O ATOM 1342 CB GLU A 85 -2.459 1.875 10.436 1.00 0.00 C ATOM 1343 CG GLU A 85 -2.255 2.657 9.136 1.00 0.00 C ATOM 1344 CD GLU A 85 -2.664 4.116 9.347 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -3.153 4.424 10.421 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -2.480 4.900 8.432 1.00 0.00 O ATOM 0 H GLU A 85 -4.284 0.447 9.513 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.422 0.256 9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.461 2.052 10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.756 2.220 11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.211 2.602 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.848 2.214 8.336 1.00 0.00 H new ATOM 1353 N LYS A 86 -2.929 -1.030 12.017 1.00 0.00 N ATOM 1354 CA LYS A 86 -2.716 -1.776 13.287 1.00 0.00 C ATOM 1355 C LYS A 86 -2.775 -3.276 12.990 1.00 0.00 C ATOM 1356 O LYS A 86 -2.091 -4.069 13.605 1.00 0.00 O ATOM 1357 CB LYS A 86 -3.814 -1.408 14.287 1.00 0.00 C ATOM 1358 CG LYS A 86 -3.375 -0.192 15.106 1.00 0.00 C ATOM 1359 CD LYS A 86 -4.235 -0.090 16.368 1.00 0.00 C ATOM 1360 CE LYS A 86 -3.335 -0.105 17.603 1.00 0.00 C ATOM 1361 NZ LYS A 86 -2.682 1.225 17.759 1.00 0.00 N ATOM 0 H LYS A 86 -3.866 -1.108 11.622 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.746 -1.519 13.712 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.742 -1.188 13.759 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.015 -2.251 14.948 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.323 -0.283 15.376 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.474 0.716 14.511 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.824 0.827 16.346 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.939 -0.921 16.409 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.922 -0.340 18.491 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.579 -0.884 17.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.070 1.215 18.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.109 1.432 16.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.411 1.959 17.871 1.00 0.00 H new ATOM 1375 N HIS A 87 -3.588 -3.668 12.044 1.00 0.00 N ATOM 1376 CA HIS A 87 -3.693 -5.114 11.697 1.00 0.00 C ATOM 1377 C HIS A 87 -2.658 -5.451 10.619 1.00 0.00 C ATOM 1378 O HIS A 87 -2.152 -4.575 9.949 1.00 0.00 O ATOM 1379 CB HIS A 87 -5.098 -5.412 11.168 1.00 0.00 C ATOM 1380 CG HIS A 87 -5.984 -5.829 12.309 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -6.194 -5.022 13.415 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -6.721 -6.967 12.529 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -7.027 -5.678 14.243 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -7.380 -6.868 13.751 1.00 0.00 N ATOM 0 H HIS A 87 -4.184 -3.047 11.497 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.506 -5.718 12.585 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.509 -4.529 10.678 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -5.056 -6.202 10.418 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.780 -7.810 11.856 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.369 -5.289 15.191 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.999 -7.556 14.179 1.00 0.00 H new ATOM 1392 N PRO A 88 -2.375 -6.719 10.495 1.00 0.00 N ATOM 1393 CA PRO A 88 -1.400 -7.277 9.522 1.00 0.00 C ATOM 1394 C PRO A 88 -2.018 -7.373 8.124 1.00 0.00 C ATOM 1395 O PRO A 88 -3.163 -7.743 7.962 1.00 0.00 O ATOM 1396 CB PRO A 88 -1.056 -8.670 10.047 1.00 0.00 C ATOM 1397 CG PRO A 88 -2.231 -9.095 10.934 1.00 0.00 C ATOM 1398 CD PRO A 88 -2.982 -7.810 11.308 1.00 0.00 C ATOM 0 HA PRO A 88 -0.518 -6.644 9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.915 -9.372 9.225 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.126 -8.653 10.615 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -2.886 -9.787 10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.877 -9.611 11.826 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.047 -7.906 11.096 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.887 -7.600 12.373 1.00 0.00 H new ATOM 1406 N LEU A 89 -1.255 -7.049 7.113 1.00 0.00 N ATOM 1407 CA LEU A 89 -1.779 -7.129 5.719 1.00 0.00 C ATOM 1408 C LEU A 89 -1.166 -8.352 5.036 1.00 0.00 C ATOM 1409 O LEU A 89 -1.814 -9.361 4.850 1.00 0.00 O ATOM 1410 CB LEU A 89 -1.391 -5.864 4.951 1.00 0.00 C ATOM 1411 CG LEU A 89 -1.679 -6.061 3.462 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -2.721 -5.041 3.004 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -0.389 -5.863 2.663 1.00 0.00 C ATOM 0 H LEU A 89 -0.289 -6.732 7.194 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.865 -7.216 5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.951 -5.009 5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.334 -5.644 5.102 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.060 -7.069 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.926 -5.182 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.640 -5.180 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.341 -4.033 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.593 -6.003 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.009 -4.855 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.356 -6.590 2.988 1.00 0.00 H new ATOM 1425 N TYR A 90 0.088 -8.275 4.679 1.00 0.00 N ATOM 1426 CA TYR A 90 0.754 -9.439 4.029 1.00 0.00 C ATOM 1427 C TYR A 90 1.284 -10.365 5.134 1.00 0.00 C ATOM 1428 O TYR A 90 0.810 -10.332 6.253 1.00 0.00 O ATOM 1429 CB TYR A 90 1.905 -8.942 3.138 1.00 0.00 C ATOM 1430 CG TYR A 90 2.236 -9.983 2.091 1.00 0.00 C ATOM 1431 CD1 TYR A 90 1.209 -10.650 1.417 1.00 0.00 C ATOM 1432 CD2 TYR A 90 3.573 -10.286 1.802 1.00 0.00 C ATOM 1433 CE1 TYR A 90 1.515 -11.618 0.451 1.00 0.00 C ATOM 1434 CE2 TYR A 90 3.879 -11.253 0.837 1.00 0.00 C ATOM 1435 CZ TYR A 90 2.851 -11.919 0.163 1.00 0.00 C ATOM 1436 OH TYR A 90 3.153 -12.874 -0.788 1.00 0.00 O ATOM 0 H TYR A 90 0.680 -7.455 4.810 1.00 0.00 H new ATOM 0 HA TYR A 90 0.050 -9.985 3.401 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.624 -8.006 2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 90 2.785 -8.735 3.748 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.178 -10.419 1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.368 -9.774 2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.721 -12.131 -0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.910 -11.485 0.613 1.00 0.00 H new ATOM 0 HH TYR A 90 4.126 -12.961 -0.867 1.00 0.00 H new ATOM 1446 N ARG A 91 2.250 -11.195 4.845 1.00 0.00 N ATOM 1447 CA ARG A 91 2.779 -12.111 5.894 1.00 0.00 C ATOM 1448 C ARG A 91 3.603 -11.319 6.917 1.00 0.00 C ATOM 1449 O ARG A 91 3.977 -11.833 7.951 1.00 0.00 O ATOM 1450 CB ARG A 91 3.664 -13.174 5.240 1.00 0.00 C ATOM 1451 CG ARG A 91 2.801 -14.366 4.820 1.00 0.00 C ATOM 1452 CD ARG A 91 1.845 -13.935 3.704 1.00 0.00 C ATOM 1453 NE ARG A 91 1.885 -14.925 2.586 1.00 0.00 N ATOM 1454 CZ ARG A 91 3.014 -15.473 2.230 1.00 0.00 C ATOM 1455 NH1 ARG A 91 3.933 -14.752 1.647 1.00 0.00 N ATOM 1456 NH2 ARG A 91 3.226 -16.741 2.455 1.00 0.00 N ATOM 0 H ARG A 91 2.694 -11.278 3.930 1.00 0.00 H new ATOM 0 HA ARG A 91 1.944 -12.590 6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.173 -12.755 4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.437 -13.498 5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.434 -15.184 4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.236 -14.738 5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.830 -13.855 4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.124 -12.947 3.336 1.00 0.00 H new ATOM 0 HE ARG A 91 1.025 -15.174 2.098 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.768 -13.761 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.816 -15.180 1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.508 -17.305 2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.109 -17.168 2.176 1.00 0.00 H new ATOM 1470 N LYS A 92 3.888 -10.073 6.642 1.00 0.00 N ATOM 1471 CA LYS A 92 4.683 -9.264 7.609 1.00 0.00 C ATOM 1472 C LYS A 92 4.364 -7.779 7.419 1.00 0.00 C ATOM 1473 O LYS A 92 3.899 -7.116 8.326 1.00 0.00 O ATOM 1474 CB LYS A 92 6.182 -9.499 7.386 1.00 0.00 C ATOM 1475 CG LYS A 92 6.436 -9.939 5.942 1.00 0.00 C ATOM 1476 CD LYS A 92 7.880 -10.427 5.807 1.00 0.00 C ATOM 1477 CE LYS A 92 8.806 -9.228 5.595 1.00 0.00 C ATOM 1478 NZ LYS A 92 9.715 -9.089 6.768 1.00 0.00 N ATOM 0 H LYS A 92 3.605 -9.583 5.793 1.00 0.00 H new ATOM 0 HA LYS A 92 4.423 -9.567 8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.737 -8.585 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.545 -10.261 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.744 -10.735 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.256 -9.108 5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.175 -10.974 6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.965 -11.118 4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.389 -9.362 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.218 -8.319 5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.345 -8.274 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.151 -8.943 7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.285 -9.953 6.870 1.00 0.00 H new ATOM 1492 N MET A 93 4.606 -7.251 6.251 1.00 0.00 N ATOM 1493 CA MET A 93 4.309 -5.810 6.013 1.00 0.00 C ATOM 1494 C MET A 93 2.844 -5.541 6.360 1.00 0.00 C ATOM 1495 O MET A 93 1.985 -6.360 6.108 1.00 0.00 O ATOM 1496 CB MET A 93 4.559 -5.474 4.541 1.00 0.00 C ATOM 1497 CG MET A 93 5.273 -4.126 4.439 1.00 0.00 C ATOM 1498 SD MET A 93 4.056 -2.791 4.536 1.00 0.00 S ATOM 1499 CE MET A 93 4.935 -1.775 5.748 1.00 0.00 C ATOM 0 H MET A 93 4.995 -7.753 5.453 1.00 0.00 H new ATOM 0 HA MET A 93 4.954 -5.191 6.636 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.163 -6.253 4.077 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.614 -5.439 4.000 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.002 -4.027 5.243 1.00 0.00 H new ATOM 0 HG3 MET A 93 5.823 -4.064 3.500 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.228 -1.114 6.249 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.414 -2.420 6.485 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.693 -1.178 5.241 1.00 0.00 H new ATOM 1509 N LYS A 94 2.543 -4.412 6.943 1.00 0.00 N ATOM 1510 CA LYS A 94 1.123 -4.132 7.299 1.00 0.00 C ATOM 1511 C LYS A 94 0.900 -2.625 7.400 1.00 0.00 C ATOM 1512 O LYS A 94 0.341 -2.138 8.364 1.00 0.00 O ATOM 1513 CB LYS A 94 0.805 -4.788 8.644 1.00 0.00 C ATOM 1514 CG LYS A 94 1.838 -4.344 9.683 1.00 0.00 C ATOM 1515 CD LYS A 94 1.339 -4.701 11.085 1.00 0.00 C ATOM 1516 CE LYS A 94 1.501 -6.204 11.319 1.00 0.00 C ATOM 1517 NZ LYS A 94 2.911 -6.499 11.701 1.00 0.00 N ATOM 0 H LYS A 94 3.210 -3.680 7.186 1.00 0.00 H new ATOM 0 HA LYS A 94 0.469 -4.537 6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.197 -4.509 8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.817 -5.873 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.794 -4.830 9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.006 -3.270 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.900 -4.143 11.835 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.292 -4.416 11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.823 -6.535 12.106 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.235 -6.754 10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.176 -7.441 11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.540 -5.783 11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.001 -6.479 12.737 1.00 0.00 H new ATOM 1531 N LEU A 95 1.333 -1.879 6.419 1.00 0.00 N ATOM 1532 CA LEU A 95 1.148 -0.404 6.475 1.00 0.00 C ATOM 1533 C LEU A 95 1.644 0.102 7.827 1.00 0.00 C ATOM 1534 O LEU A 95 1.142 1.067 8.369 1.00 0.00 O ATOM 1535 CB LEU A 95 -0.336 -0.063 6.313 1.00 0.00 C ATOM 1536 CG LEU A 95 -0.696 -0.043 4.828 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -1.666 -1.185 4.520 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -1.357 1.294 4.485 1.00 0.00 C ATOM 0 H LEU A 95 1.805 -2.228 5.585 1.00 0.00 H new ATOM 0 HA LEU A 95 1.711 0.070 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.948 -0.798 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.548 0.907 6.763 1.00 0.00 H new ATOM 0 HG LEU A 95 0.209 -0.167 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.922 -1.169 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.197 -2.137 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.572 -1.063 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.615 1.311 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.261 1.416 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.666 2.108 4.703 1.00 0.00 H new ATOM 1550 N ARG A 96 2.623 -0.557 8.380 1.00 0.00 N ATOM 1551 CA ARG A 96 3.153 -0.136 9.705 1.00 0.00 C ATOM 1552 C ARG A 96 4.630 0.240 9.579 1.00 0.00 C ATOM 1553 O ARG A 96 5.412 0.012 10.480 1.00 0.00 O ATOM 1554 CB ARG A 96 3.002 -1.290 10.700 1.00 0.00 C ATOM 1555 CG ARG A 96 3.234 -0.784 12.128 1.00 0.00 C ATOM 1556 CD ARG A 96 2.375 0.458 12.379 1.00 0.00 C ATOM 1557 NE ARG A 96 2.385 0.788 13.835 1.00 0.00 N ATOM 1558 CZ ARG A 96 2.398 -0.167 14.725 1.00 0.00 C ATOM 1559 NH1 ARG A 96 1.611 -1.200 14.587 1.00 0.00 N ATOM 1560 NH2 ARG A 96 3.197 -0.090 15.754 1.00 0.00 N ATOM 0 H ARG A 96 3.080 -1.371 7.970 1.00 0.00 H new ATOM 0 HA ARG A 96 2.593 0.730 10.059 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.006 -1.725 10.617 1.00 0.00 H new ATOM 0 HB3 ARG A 96 3.715 -2.080 10.465 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.982 -1.564 12.846 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.288 -0.545 12.273 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.758 1.300 11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.353 0.280 12.043 1.00 0.00 H new ATOM 0 HE ARG A 96 2.382 1.763 14.135 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.986 -1.261 13.783 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.622 -1.946 15.283 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.812 0.717 15.863 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.207 -0.836 16.449 1.00 0.00 H new ATOM 1574 N TYR A 97 5.026 0.811 8.473 1.00 0.00 N ATOM 1575 CA TYR A 97 6.452 1.198 8.314 1.00 0.00 C ATOM 1576 C TYR A 97 6.558 2.723 8.210 1.00 0.00 C ATOM 1577 O TYR A 97 6.404 3.284 7.144 1.00 0.00 O ATOM 1578 CB TYR A 97 7.020 0.556 7.047 1.00 0.00 C ATOM 1579 CG TYR A 97 8.132 -0.395 7.421 1.00 0.00 C ATOM 1580 CD1 TYR A 97 9.077 -0.021 8.384 1.00 0.00 C ATOM 1581 CD2 TYR A 97 8.218 -1.649 6.805 1.00 0.00 C ATOM 1582 CE1 TYR A 97 10.107 -0.903 8.732 1.00 0.00 C ATOM 1583 CE2 TYR A 97 9.249 -2.529 7.153 1.00 0.00 C ATOM 1584 CZ TYR A 97 10.194 -2.156 8.116 1.00 0.00 C ATOM 1585 OH TYR A 97 11.209 -3.025 8.459 1.00 0.00 O ATOM 0 H TYR A 97 4.424 1.024 7.677 1.00 0.00 H new ATOM 0 HA TYR A 97 7.020 0.853 9.178 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.234 0.022 6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.396 1.326 6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.011 0.947 8.858 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.489 -1.937 6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.835 -0.616 9.476 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.316 -3.497 6.678 1.00 0.00 H new ATOM 0 HH TYR A 97 11.122 -3.851 7.939 1.00 0.00 H new ATOM 1595 N PRO A 98 6.821 3.342 9.333 1.00 0.00 N ATOM 1596 CA PRO A 98 6.984 4.811 9.481 1.00 0.00 C ATOM 1597 C PRO A 98 8.429 5.200 9.152 1.00 0.00 C ATOM 1598 O PRO A 98 9.147 4.459 8.510 1.00 0.00 O ATOM 1599 CB PRO A 98 6.690 5.102 10.952 1.00 0.00 C ATOM 1600 CG PRO A 98 6.958 3.795 11.706 1.00 0.00 C ATOM 1601 CD PRO A 98 6.981 2.676 10.655 1.00 0.00 C ATOM 0 HA PRO A 98 6.326 5.370 8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 98 7.326 5.905 11.325 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.658 5.425 11.087 1.00 0.00 H new ATOM 0 HG2 PRO A 98 7.907 3.844 12.240 1.00 0.00 H new ATOM 0 HG3 PRO A 98 6.183 3.611 12.450 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.917 2.120 10.700 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.177 1.961 10.830 1.00 0.00 H new ATOM 1774 N ILE B 5 2.405 -8.238 -4.035 1.00 0.00 N ATOM 1775 CA ILE B 5 2.011 -9.394 -3.196 1.00 0.00 C ATOM 1776 C ILE B 5 0.570 -9.213 -2.709 1.00 0.00 C ATOM 1777 O ILE B 5 0.214 -8.189 -2.159 1.00 0.00 O ATOM 1778 CB ILE B 5 2.977 -9.498 -2.004 1.00 0.00 C ATOM 1779 CG1 ILE B 5 2.511 -8.636 -0.820 1.00 0.00 C ATOM 1780 CG2 ILE B 5 4.369 -9.033 -2.428 1.00 0.00 C ATOM 1781 CD1 ILE B 5 2.611 -7.150 -1.175 1.00 0.00 C ATOM 0 HA ILE B 5 2.063 -10.313 -3.779 1.00 0.00 H new ATOM 0 HB ILE B 5 3.000 -10.541 -1.688 1.00 0.00 H new ATOM 0 HG12 ILE B 5 1.482 -8.887 -0.561 1.00 0.00 H new ATOM 0 HG13 ILE B 5 3.122 -8.850 0.057 1.00 0.00 H new ATOM 0 HG21 ILE B 5 5.051 -9.108 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE B 5 4.730 -9.662 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE B 5 4.320 -7.997 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE B 5 2.278 -6.550 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE B 5 3.646 -6.901 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE B 5 1.981 -6.939 -2.039 1.00 0.00 H new ATOM 1793 N ILE B 6 -0.267 -10.199 -2.892 1.00 0.00 N ATOM 1794 CA ILE B 6 -1.667 -10.058 -2.410 1.00 0.00 C ATOM 1795 C ILE B 6 -1.613 -9.913 -0.893 1.00 0.00 C ATOM 1796 O ILE B 6 -0.873 -10.615 -0.239 1.00 0.00 O ATOM 1797 CB ILE B 6 -2.484 -11.295 -2.779 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -2.484 -11.475 -4.299 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -3.922 -11.114 -2.286 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -1.467 -12.550 -4.686 1.00 0.00 C ATOM 0 H ILE B 6 -0.044 -11.084 -3.348 1.00 0.00 H new ATOM 0 HA ILE B 6 -2.141 -9.191 -2.870 1.00 0.00 H new ATOM 0 HB ILE B 6 -2.044 -12.176 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -3.479 -11.760 -4.642 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -2.236 -10.533 -4.787 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -4.510 -11.994 -2.547 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -3.922 -10.985 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -4.360 -10.233 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.467 -12.678 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.473 -12.246 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.735 -13.493 -4.209 1.00 0.00 H new ATOM 1812 N PRO B 7 -2.379 -8.995 -0.379 1.00 0.00 N ATOM 1813 CA PRO B 7 -2.448 -8.684 1.070 1.00 0.00 C ATOM 1814 C PRO B 7 -3.202 -9.775 1.830 1.00 0.00 C ATOM 1815 O PRO B 7 -4.417 -9.797 1.874 1.00 0.00 O ATOM 1816 CB PRO B 7 -3.168 -7.345 1.172 1.00 0.00 C ATOM 1817 CG PRO B 7 -3.981 -7.206 -0.118 1.00 0.00 C ATOM 1818 CD PRO B 7 -3.314 -8.126 -1.146 1.00 0.00 C ATOM 0 HA PRO B 7 -1.455 -8.636 1.516 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -3.817 -7.316 2.047 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -2.456 -6.526 1.275 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -5.020 -7.492 0.044 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -3.986 -6.173 -0.466 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -4.057 -8.724 -1.674 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -2.779 -7.546 -1.898 1.00 0.00 H new ATOM 1826 N LEU B 8 -2.480 -10.674 2.439 1.00 0.00 N ATOM 1827 CA LEU B 8 -3.127 -11.766 3.215 1.00 0.00 C ATOM 1828 C LEU B 8 -2.361 -11.946 4.530 1.00 0.00 C ATOM 1829 O LEU B 8 -1.209 -12.329 4.524 1.00 0.00 O ATOM 1830 CB LEU B 8 -3.075 -13.067 2.409 1.00 0.00 C ATOM 1831 CG LEU B 8 -4.487 -13.642 2.285 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -4.629 -14.368 0.947 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -4.736 -14.628 3.429 1.00 0.00 C ATOM 0 H LEU B 8 -1.460 -10.698 2.432 1.00 0.00 H new ATOM 0 HA LEU B 8 -4.168 -11.516 3.419 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.658 -12.879 1.419 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -2.419 -13.786 2.899 1.00 0.00 H new ATOM 0 HG LEU B 8 -5.215 -12.832 2.336 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -5.636 -14.777 0.860 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -4.451 -13.667 0.132 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -3.902 -15.178 0.894 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -5.742 -15.039 3.343 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -4.008 -15.437 3.377 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -4.636 -14.111 4.383 1.00 0.00 H new ATOM 1845 N PRO B 9 -3.020 -11.649 5.621 1.00 0.00 N ATOM 1846 CA PRO B 9 -2.456 -11.737 6.992 1.00 0.00 C ATOM 1847 C PRO B 9 -2.381 -13.196 7.445 1.00 0.00 C ATOM 1848 O PRO B 9 -3.345 -13.763 7.918 1.00 0.00 O ATOM 1849 CB PRO B 9 -3.405 -10.936 7.881 1.00 0.00 C ATOM 1850 CG PRO B 9 -4.744 -10.889 7.143 1.00 0.00 C ATOM 1851 CD PRO B 9 -4.437 -11.185 5.669 1.00 0.00 C ATOM 0 HA PRO B 9 -1.441 -11.342 7.040 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -3.515 -11.408 8.857 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -3.021 -9.931 8.054 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -5.438 -11.624 7.550 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -5.214 -9.912 7.253 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -5.109 -11.948 5.278 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -4.575 -10.294 5.057 1.00 0.00 H new ATOM 1859 N ASP B 10 -1.235 -13.803 7.300 1.00 0.00 N ATOM 1860 CA ASP B 10 -1.077 -15.225 7.714 1.00 0.00 C ATOM 1861 C ASP B 10 -2.086 -16.092 6.958 1.00 0.00 C ATOM 1862 O ASP B 10 -3.222 -16.225 7.367 1.00 0.00 O ATOM 1863 CB ASP B 10 -1.323 -15.351 9.220 1.00 0.00 C ATOM 1864 CG ASP B 10 -0.475 -14.318 9.965 1.00 0.00 C ATOM 1865 OD1 ASP B 10 0.685 -14.600 10.212 1.00 0.00 O ATOM 1866 OD2 ASP B 10 -1.003 -13.263 10.279 1.00 0.00 O ATOM 0 H ASP B 10 -0.397 -13.372 6.910 1.00 0.00 H new ATOM 0 HA ASP B 10 -0.065 -15.559 7.483 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -2.379 -15.197 9.441 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.070 -16.356 9.558 1.00 0.00 H new