USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 678 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 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.99 X(o=-2,f=-1.8) USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= -0.0252 (180deg=-0.279) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 141:sc= -2.05! (180deg=-3.64!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.21! C(o=-4.2!,f=-5.1!) USER MOD Single : A 27 THR OG1 : rot -38:sc= 0.589 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0733 USER MOD Single : A 35 LYS NZ :NH3+ 133:sc= -3.26! (180deg=-5.97!) USER MOD Single : A 42 ASN : amide:sc=-0.000562 X(o=-0.00056,f=-0.1) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 63 GLN : amide:sc= -13.4! C(o=-13!,f=-29!) USER MOD Single : A 64 SER OG : rot -148:sc= -3.57! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -139:sc= 0.738 (180deg=-0.0628) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.822 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.545 K(o=-0.55,f=-2.3) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.641 F(o=-2.2!,f=-0.64) USER MOD Single : A 77 SER OG : rot 122:sc= -1.91 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN :FLIP amide:sc= 0.643 F(o=0,f=0.64) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.363 F(o=-1.5,f=-0.36) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.2!) USER MOD Single : A 101 MET CE :methyl -173:sc= -2.81! (180deg=-2.96!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 74 N ILE A 5 -2.973 -17.937 2.337 1.00 0.00 N ATOM 75 CA ILE A 5 -4.215 -17.756 3.079 1.00 0.00 C ATOM 76 C ILE A 5 -5.329 -18.632 2.509 1.00 0.00 C ATOM 77 O ILE A 5 -5.503 -18.717 1.294 1.00 0.00 O ATOM 78 CB ILE A 5 -4.670 -16.282 3.061 1.00 0.00 C ATOM 79 CG1 ILE A 5 -5.977 -16.110 3.838 1.00 0.00 C ATOM 80 CG2 ILE A 5 -4.832 -15.796 1.629 1.00 0.00 C ATOM 81 CD1 ILE A 5 -5.848 -16.402 5.318 1.00 0.00 C ATOM 0 HA ILE A 5 -4.016 -18.053 4.109 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.903 -15.679 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.335 -15.089 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.733 -16.769 3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.153 -14.754 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.879 -15.880 1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.580 -16.405 1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.814 -16.259 5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.520 -17.432 5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.117 -15.725 5.760 1.00 0.00 H new ATOM 93 N THR A 6 -6.079 -19.277 3.397 1.00 0.00 N ATOM 94 CA THR A 6 -7.178 -20.142 2.985 1.00 0.00 C ATOM 95 C THR A 6 -8.500 -19.381 3.011 1.00 0.00 C ATOM 96 O THR A 6 -8.778 -18.636 3.949 1.00 0.00 O ATOM 97 CB THR A 6 -7.261 -21.365 3.900 1.00 0.00 C ATOM 98 OG1 THR A 6 -8.438 -22.107 3.637 1.00 0.00 O ATOM 99 CG2 THR A 6 -7.258 -21.014 5.373 1.00 0.00 C ATOM 0 H THR A 6 -5.945 -19.217 4.406 1.00 0.00 H new ATOM 0 HA THR A 6 -6.988 -20.475 1.964 1.00 0.00 H new ATOM 0 HB THR A 6 -6.367 -21.950 3.682 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.473 -22.886 4.230 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.319 -21.927 5.965 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.338 -20.483 5.619 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.115 -20.379 5.597 1.00 0.00 H new ATOM 107 N ALA A 7 -9.308 -19.573 1.973 1.00 0.00 N ATOM 108 CA ALA A 7 -10.599 -18.901 1.880 1.00 0.00 C ATOM 109 C ALA A 7 -10.419 -17.386 1.813 1.00 0.00 C ATOM 110 O ALA A 7 -9.326 -16.896 1.531 1.00 0.00 O ATOM 111 CB ALA A 7 -11.480 -19.285 3.061 1.00 0.00 C ATOM 0 H ALA A 7 -9.092 -20.186 1.187 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.089 -19.223 0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.441 -18.776 2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.639 -20.363 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.992 -18.991 3.990 1.00 0.00 H new ATOM 117 N GLN A 8 -11.494 -16.650 2.073 1.00 0.00 N ATOM 118 CA GLN A 8 -11.447 -15.194 2.038 1.00 0.00 C ATOM 119 C GLN A 8 -11.357 -14.615 3.444 1.00 0.00 C ATOM 120 O GLN A 8 -12.296 -14.708 4.233 1.00 0.00 O ATOM 121 CB GLN A 8 -12.678 -14.636 1.321 1.00 0.00 C ATOM 122 CG GLN A 8 -12.672 -13.121 1.194 1.00 0.00 C ATOM 123 CD GLN A 8 -11.390 -12.592 0.580 1.00 0.00 C ATOM 124 OE1 GLN A 8 -10.585 -11.950 1.254 1.00 0.00 O ATOM 125 NE2 GLN A 8 -11.198 -12.857 -0.707 1.00 0.00 N ATOM 0 H GLN A 8 -12.407 -17.038 2.310 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.553 -14.902 1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.739 -15.076 0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.574 -14.944 1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.519 -12.808 0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.808 -12.677 2.180 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.893 -13.393 -1.226 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.356 -12.524 -1.176 1.00 0.00 H new ATOM 134 N LYS A 9 -10.212 -14.014 3.742 1.00 0.00 N ATOM 135 CA LYS A 9 -9.973 -13.406 5.043 1.00 0.00 C ATOM 136 C LYS A 9 -8.996 -12.245 4.902 1.00 0.00 C ATOM 137 O LYS A 9 -8.059 -12.311 4.106 1.00 0.00 O ATOM 138 CB LYS A 9 -9.420 -14.448 6.021 1.00 0.00 C ATOM 139 CG LYS A 9 -10.247 -14.597 7.287 1.00 0.00 C ATOM 140 CD LYS A 9 -11.241 -15.744 7.174 1.00 0.00 C ATOM 141 CE LYS A 9 -12.676 -15.245 7.216 1.00 0.00 C ATOM 142 NZ LYS A 9 -12.997 -14.583 8.512 1.00 0.00 N ATOM 0 H LYS A 9 -9.429 -13.935 3.093 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.917 -13.028 5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.366 -15.413 5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.401 -14.173 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.586 -14.770 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.783 -13.668 7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.070 -16.284 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.077 -16.451 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.840 -14.542 6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.356 -16.082 7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.021 -14.637 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.490 -15.063 9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.705 -13.586 8.474 1.00 0.00 H new ATOM 156 N PRO A 10 -9.191 -11.159 5.668 1.00 0.00 N ATOM 157 CA PRO A 10 -8.309 -9.989 5.607 1.00 0.00 C ATOM 158 C PRO A 10 -6.935 -10.268 6.210 1.00 0.00 C ATOM 159 O PRO A 10 -6.436 -9.490 7.025 1.00 0.00 O ATOM 160 CB PRO A 10 -9.054 -8.939 6.432 1.00 0.00 C ATOM 161 CG PRO A 10 -9.893 -9.727 7.379 1.00 0.00 C ATOM 162 CD PRO A 10 -10.280 -10.982 6.648 1.00 0.00 C ATOM 0 HA PRO A 10 -8.111 -9.680 4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.360 -8.289 6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.667 -8.299 5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.339 -9.961 8.288 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.776 -9.163 7.679 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.354 -11.834 7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.248 -10.879 6.158 1.00 0.00 H new ATOM 170 N SER A 11 -6.320 -11.379 5.806 1.00 0.00 N ATOM 171 CA SER A 11 -5.005 -11.748 6.310 1.00 0.00 C ATOM 172 C SER A 11 -4.263 -12.622 5.305 1.00 0.00 C ATOM 173 O SER A 11 -4.703 -13.728 4.985 1.00 0.00 O ATOM 174 CB SER A 11 -5.132 -12.481 7.646 1.00 0.00 C ATOM 175 OG SER A 11 -4.111 -12.085 8.547 1.00 0.00 O ATOM 0 H SER A 11 -6.714 -12.036 5.132 1.00 0.00 H new ATOM 0 HA SER A 11 -4.433 -10.833 6.461 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.108 -12.275 8.085 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.077 -13.557 7.480 1.00 0.00 H new ATOM 0 HG SER A 11 -4.217 -12.567 9.394 1.00 0.00 H new ATOM 181 N LEU A 12 -3.136 -12.125 4.811 1.00 0.00 N ATOM 182 CA LEU A 12 -2.333 -12.862 3.845 1.00 0.00 C ATOM 183 C LEU A 12 -0.885 -12.390 3.885 1.00 0.00 C ATOM 184 O LEU A 12 -0.596 -11.217 3.643 1.00 0.00 O ATOM 185 CB LEU A 12 -2.908 -12.693 2.438 1.00 0.00 C ATOM 186 CG LEU A 12 -2.103 -13.357 1.317 1.00 0.00 C ATOM 187 CD1 LEU A 12 -1.636 -14.742 1.736 1.00 0.00 C ATOM 188 CD2 LEU A 12 -2.933 -13.434 0.045 1.00 0.00 C ATOM 0 H LEU A 12 -2.757 -11.212 5.064 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.359 -13.919 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.920 -13.099 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.989 -11.628 2.222 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.221 -12.748 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.066 -15.195 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.005 -14.661 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.501 -15.365 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.348 -13.908 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.832 -14.021 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.214 -12.428 -0.267 1.00 0.00 H new ATOM 200 N THR A 13 0.022 -13.307 4.202 1.00 0.00 N ATOM 201 CA THR A 13 1.439 -12.978 4.285 1.00 0.00 C ATOM 202 C THR A 13 2.127 -13.125 2.932 1.00 0.00 C ATOM 203 O THR A 13 2.261 -14.226 2.401 1.00 0.00 O ATOM 204 CB THR A 13 2.127 -13.872 5.318 1.00 0.00 C ATOM 205 OG1 THR A 13 1.197 -14.321 6.290 1.00 0.00 O ATOM 206 CG2 THR A 13 3.256 -13.180 6.050 1.00 0.00 C ATOM 0 H THR A 13 -0.198 -14.282 4.405 1.00 0.00 H new ATOM 0 HA THR A 13 1.521 -11.936 4.594 1.00 0.00 H new ATOM 0 HB THR A 13 2.540 -14.706 4.750 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.655 -14.893 6.941 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.701 -13.869 6.768 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.014 -12.863 5.334 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.868 -12.308 6.577 1.00 0.00 H new ATOM 214 N LEU A 14 2.579 -11.997 2.398 1.00 0.00 N ATOM 215 CA LEU A 14 3.280 -11.966 1.122 1.00 0.00 C ATOM 216 C LEU A 14 4.410 -10.961 1.188 1.00 0.00 C ATOM 217 O LEU A 14 4.440 -10.118 2.079 1.00 0.00 O ATOM 218 CB LEU A 14 2.342 -11.580 -0.015 1.00 0.00 C ATOM 219 CG LEU A 14 1.050 -12.392 -0.115 1.00 0.00 C ATOM 220 CD1 LEU A 14 0.251 -11.968 -1.336 1.00 0.00 C ATOM 221 CD2 LEU A 14 1.338 -13.888 -0.156 1.00 0.00 C ATOM 0 H LEU A 14 2.470 -11.082 2.836 1.00 0.00 H new ATOM 0 HA LEU A 14 3.671 -12.965 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.080 -10.528 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.883 -11.676 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 14 0.457 -12.192 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.666 -12.555 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.000 -10.910 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.845 -12.134 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.399 -14.437 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.958 -14.116 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.863 -14.183 0.753 1.00 0.00 H new ATOM 233 N TRP A 15 5.340 -11.042 0.248 1.00 0.00 N ATOM 234 CA TRP A 15 6.453 -10.117 0.243 1.00 0.00 C ATOM 235 C TRP A 15 6.139 -8.864 -0.557 1.00 0.00 C ATOM 236 O TRP A 15 5.318 -8.873 -1.473 1.00 0.00 O ATOM 237 CB TRP A 15 7.740 -10.807 -0.234 1.00 0.00 C ATOM 238 CG TRP A 15 7.974 -10.844 -1.722 1.00 0.00 C ATOM 239 CD1 TRP A 15 7.114 -10.505 -2.733 1.00 0.00 C ATOM 240 CD2 TRP A 15 9.181 -11.271 -2.358 1.00 0.00 C ATOM 241 NE1 TRP A 15 7.730 -10.683 -3.949 1.00 0.00 N ATOM 242 CE2 TRP A 15 8.992 -11.156 -3.745 1.00 0.00 C ATOM 243 CE3 TRP A 15 10.409 -11.736 -1.886 1.00 0.00 C ATOM 244 CZ2 TRP A 15 9.982 -11.488 -4.664 1.00 0.00 C ATOM 245 CZ3 TRP A 15 11.390 -12.068 -2.798 1.00 0.00 C ATOM 246 CH2 TRP A 15 11.171 -11.943 -4.172 1.00 0.00 C ATOM 0 H TRP A 15 5.344 -11.728 -0.507 1.00 0.00 H new ATOM 0 HA TRP A 15 6.623 -9.792 1.270 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.588 -10.305 0.232 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.734 -11.832 0.136 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.103 -10.151 -2.595 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.310 -10.492 -4.859 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.589 -11.834 -0.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 9.816 -11.389 -5.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 12.343 -12.431 -2.443 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.959 -12.212 -4.860 1.00 0.00 H new ATOM 257 N LEU A 16 6.788 -7.785 -0.175 1.00 0.00 N ATOM 258 CA LEU A 16 6.592 -6.499 -0.824 1.00 0.00 C ATOM 259 C LEU A 16 7.924 -5.775 -0.986 1.00 0.00 C ATOM 260 O LEU A 16 8.703 -5.674 -0.038 1.00 0.00 O ATOM 261 CB LEU A 16 5.623 -5.642 -0.008 1.00 0.00 C ATOM 262 CG LEU A 16 4.435 -5.070 -0.780 1.00 0.00 C ATOM 263 CD1 LEU A 16 3.287 -4.772 0.170 1.00 0.00 C ATOM 264 CD2 LEU A 16 4.845 -3.816 -1.537 1.00 0.00 C ATOM 0 H LEU A 16 7.463 -7.770 0.589 1.00 0.00 H new ATOM 0 HA LEU A 16 6.167 -6.670 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.241 -6.243 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.180 -4.814 0.431 1.00 0.00 H new ATOM 0 HG LEU A 16 4.100 -5.811 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.446 -4.365 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.979 -5.691 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.611 -4.046 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.986 -3.422 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.203 -3.066 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.640 -4.060 -2.242 1.00 0.00 H new ATOM 276 N ASP A 17 8.185 -5.275 -2.190 1.00 0.00 N ATOM 277 CA ASP A 17 9.431 -4.567 -2.467 1.00 0.00 C ATOM 278 C ASP A 17 10.634 -5.392 -2.014 1.00 0.00 C ATOM 279 O ASP A 17 11.671 -4.845 -1.640 1.00 0.00 O ATOM 280 CB ASP A 17 9.436 -3.208 -1.767 1.00 0.00 C ATOM 281 CG ASP A 17 10.134 -2.139 -2.586 1.00 0.00 C ATOM 282 OD1 ASP A 17 9.665 -1.851 -3.707 1.00 0.00 O ATOM 283 OD2 ASP A 17 11.148 -1.592 -2.106 1.00 0.00 O ATOM 0 H ASP A 17 7.553 -5.346 -2.987 1.00 0.00 H new ATOM 0 HA ASP A 17 9.503 -4.412 -3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.409 -2.899 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.930 -3.302 -0.800 1.00 0.00 H new ATOM 288 N ASP A 18 10.480 -6.715 -2.049 1.00 0.00 N ATOM 289 CA ASP A 18 11.540 -7.633 -1.640 1.00 0.00 C ATOM 290 C ASP A 18 11.620 -7.721 -0.119 1.00 0.00 C ATOM 291 O ASP A 18 12.708 -7.749 0.455 1.00 0.00 O ATOM 292 CB ASP A 18 12.892 -7.197 -2.220 1.00 0.00 C ATOM 293 CG ASP A 18 13.585 -8.317 -2.973 1.00 0.00 C ATOM 294 OD1 ASP A 18 13.207 -8.576 -4.133 1.00 0.00 O ATOM 295 OD2 ASP A 18 14.508 -8.934 -2.401 1.00 0.00 O ATOM 0 H ASP A 18 9.625 -7.177 -2.359 1.00 0.00 H new ATOM 0 HA ASP A 18 11.300 -8.621 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.741 -6.351 -2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.537 -6.852 -1.412 1.00 0.00 H new ATOM 300 N LYS A 19 10.459 -7.766 0.526 1.00 0.00 N ATOM 301 CA LYS A 19 10.396 -7.851 1.981 1.00 0.00 C ATOM 302 C LYS A 19 9.097 -8.510 2.432 1.00 0.00 C ATOM 303 O LYS A 19 8.021 -7.922 2.324 1.00 0.00 O ATOM 304 CB LYS A 19 10.518 -6.458 2.601 1.00 0.00 C ATOM 305 CG LYS A 19 11.803 -5.738 2.226 1.00 0.00 C ATOM 306 CD LYS A 19 12.090 -4.578 3.168 1.00 0.00 C ATOM 307 CE LYS A 19 13.264 -3.743 2.687 1.00 0.00 C ATOM 308 NZ LYS A 19 14.474 -3.948 3.531 1.00 0.00 N ATOM 0 H LYS A 19 9.549 -7.745 0.065 1.00 0.00 H new ATOM 0 HA LYS A 19 11.230 -8.465 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.667 -5.853 2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.463 -6.546 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.635 -6.441 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.728 -5.367 1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.204 -3.948 3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.301 -4.963 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.494 -4.002 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.988 -2.689 2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.253 -3.361 3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.263 -3.677 4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.753 -4.949 3.501 1.00 0.00 H new ATOM 322 N MET A 20 9.203 -9.736 2.936 1.00 0.00 N ATOM 323 CA MET A 20 8.035 -10.477 3.399 1.00 0.00 C ATOM 324 C MET A 20 7.284 -9.709 4.488 1.00 0.00 C ATOM 325 O MET A 20 7.864 -9.308 5.496 1.00 0.00 O ATOM 326 CB MET A 20 8.452 -11.856 3.915 1.00 0.00 C ATOM 327 CG MET A 20 7.831 -13.006 3.134 1.00 0.00 C ATOM 328 SD MET A 20 8.877 -13.574 1.777 1.00 0.00 S ATOM 329 CE MET A 20 7.648 -14.192 0.626 1.00 0.00 C ATOM 0 H MET A 20 10.086 -10.237 3.034 1.00 0.00 H new ATOM 0 HA MET A 20 7.361 -10.603 2.552 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.538 -11.940 3.869 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.169 -11.944 4.964 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.639 -13.838 3.812 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.867 -12.690 2.736 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.941 -13.935 -0.392 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.574 -15.275 0.719 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.681 -13.742 0.850 1.00 0.00 H new ATOM 339 N PHE A 21 5.987 -9.510 4.266 1.00 0.00 N ATOM 340 CA PHE A 21 5.137 -8.794 5.212 1.00 0.00 C ATOM 341 C PHE A 21 3.703 -9.312 5.141 1.00 0.00 C ATOM 342 O PHE A 21 3.411 -10.243 4.394 1.00 0.00 O ATOM 343 CB PHE A 21 5.170 -7.291 4.928 1.00 0.00 C ATOM 344 CG PHE A 21 5.292 -6.446 6.164 1.00 0.00 C ATOM 345 CD1 PHE A 21 6.496 -6.361 6.844 1.00 0.00 C ATOM 346 CD2 PHE A 21 4.201 -5.740 6.646 1.00 0.00 C ATOM 347 CE1 PHE A 21 6.611 -5.583 7.983 1.00 0.00 C ATOM 348 CE2 PHE A 21 4.309 -4.961 7.782 1.00 0.00 C ATOM 349 CZ PHE A 21 5.516 -4.884 8.452 1.00 0.00 C ATOM 0 H PHE A 21 5.499 -9.838 3.432 1.00 0.00 H new ATOM 0 HA PHE A 21 5.520 -8.968 6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.008 -7.074 4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.261 -7.011 4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.354 -6.908 6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.255 -5.799 6.128 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.555 -5.523 8.504 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.452 -4.413 8.146 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.603 -4.278 9.342 1.00 0.00 H new ATOM 359 N THR A 22 2.814 -8.712 5.929 1.00 0.00 N ATOM 360 CA THR A 22 1.415 -9.133 5.949 1.00 0.00 C ATOM 361 C THR A 22 0.475 -7.976 5.617 1.00 0.00 C ATOM 362 O THR A 22 0.770 -6.816 5.907 1.00 0.00 O ATOM 363 CB THR A 22 1.057 -9.720 7.317 1.00 0.00 C ATOM 364 OG1 THR A 22 2.208 -9.824 8.137 1.00 0.00 O ATOM 365 CG2 THR A 22 0.431 -11.095 7.232 1.00 0.00 C ATOM 0 H THR A 22 3.034 -7.939 6.557 1.00 0.00 H new ATOM 0 HA THR A 22 1.290 -9.899 5.183 1.00 0.00 H new ATOM 0 HB THR A 22 0.329 -9.031 7.744 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.957 -10.200 9.007 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.202 -11.453 8.236 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.487 -11.041 6.647 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.127 -11.783 6.752 1.00 0.00 H new ATOM 373 N GLY A 23 -0.664 -8.307 5.015 1.00 0.00 N ATOM 374 CA GLY A 23 -1.647 -7.301 4.655 1.00 0.00 C ATOM 375 C GLY A 23 -3.064 -7.839 4.734 1.00 0.00 C ATOM 376 O GLY A 23 -3.263 -9.047 4.867 1.00 0.00 O ATOM 0 H GLY A 23 -0.925 -9.262 4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.547 -6.442 5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.449 -6.946 3.643 1.00 0.00 H new ATOM 380 N LEU A 24 -4.054 -6.951 4.668 1.00 0.00 N ATOM 381 CA LEU A 24 -5.445 -7.362 4.748 1.00 0.00 C ATOM 382 C LEU A 24 -6.042 -7.565 3.359 1.00 0.00 C ATOM 383 O LEU A 24 -6.110 -6.631 2.558 1.00 0.00 O ATOM 384 CB LEU A 24 -6.252 -6.318 5.516 1.00 0.00 C ATOM 385 CG LEU A 24 -5.470 -5.524 6.565 1.00 0.00 C ATOM 386 CD1 LEU A 24 -4.940 -4.228 5.971 1.00 0.00 C ATOM 387 CD2 LEU A 24 -6.345 -5.240 7.777 1.00 0.00 C ATOM 0 H LEU A 24 -3.915 -5.946 4.560 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.488 -8.314 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.681 -5.617 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.084 -6.819 6.010 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.619 -6.124 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.387 -3.678 6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.278 -4.455 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.774 -3.621 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.774 -4.675 8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.215 -4.660 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.673 -6.181 8.217 1.00 0.00 H new ATOM 399 N ILE A 25 -6.481 -8.789 3.080 1.00 0.00 N ATOM 400 CA ILE A 25 -7.080 -9.110 1.789 1.00 0.00 C ATOM 401 C ILE A 25 -8.578 -8.844 1.802 1.00 0.00 C ATOM 402 O ILE A 25 -9.339 -9.547 2.468 1.00 0.00 O ATOM 403 CB ILE A 25 -6.843 -10.581 1.397 1.00 0.00 C ATOM 404 CG1 ILE A 25 -5.389 -10.977 1.656 1.00 0.00 C ATOM 405 CG2 ILE A 25 -7.202 -10.799 -0.066 1.00 0.00 C ATOM 406 CD1 ILE A 25 -4.392 -10.103 0.930 1.00 0.00 C ATOM 0 H ILE A 25 -6.433 -9.574 3.730 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.597 -8.466 1.054 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.485 -11.213 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.192 -10.928 2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.242 -12.013 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.030 -11.842 -0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.252 -10.553 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.581 -10.159 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.380 -10.439 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.564 -10.170 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.512 -9.069 1.252 1.00 0.00 H new ATOM 418 N ASN A 26 -8.996 -7.831 1.057 1.00 0.00 N ATOM 419 CA ASN A 26 -10.407 -7.477 0.975 1.00 0.00 C ATOM 420 C ASN A 26 -10.973 -7.859 -0.386 1.00 0.00 C ATOM 421 O ASN A 26 -10.488 -7.410 -1.424 1.00 0.00 O ATOM 422 CB ASN A 26 -10.610 -5.978 1.230 1.00 0.00 C ATOM 423 CG ASN A 26 -9.464 -5.131 0.710 1.00 0.00 C ATOM 424 OD1 ASN A 26 -9.282 -4.985 -0.498 1.00 0.00 O ATOM 425 ND2 ASN A 26 -8.683 -4.570 1.626 1.00 0.00 N ATOM 0 H ASN A 26 -8.379 -7.239 0.500 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.941 -8.032 1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -11.537 -5.656 0.756 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -10.724 -5.809 2.301 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.894 -3.991 1.338 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.872 -4.719 2.617 1.00 0.00 H new ATOM 432 N THR A 27 -12.005 -8.697 -0.375 1.00 0.00 N ATOM 433 CA THR A 27 -12.639 -9.147 -1.609 1.00 0.00 C ATOM 434 C THR A 27 -13.539 -8.066 -2.210 1.00 0.00 C ATOM 435 O THR A 27 -14.240 -8.308 -3.192 1.00 0.00 O ATOM 436 CB THR A 27 -13.443 -10.422 -1.351 1.00 0.00 C ATOM 437 OG1 THR A 27 -13.908 -10.976 -2.568 1.00 0.00 O ATOM 438 CG2 THR A 27 -14.644 -10.200 -0.457 1.00 0.00 C ATOM 0 H THR A 27 -12.420 -9.078 0.475 1.00 0.00 H new ATOM 0 HA THR A 27 -11.850 -9.358 -2.331 1.00 0.00 H new ATOM 0 HB THR A 27 -12.756 -11.101 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.173 -10.254 -3.176 1.00 0.00 H new ATOM 0 HG21 THR A 27 -15.171 -11.144 -0.314 1.00 0.00 H new ATOM 0 HG22 THR A 27 -14.313 -9.819 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 27 -15.315 -9.477 -0.921 1.00 0.00 H new ATOM 446 N GLY A 28 -13.509 -6.870 -1.623 1.00 0.00 N ATOM 447 CA GLY A 28 -14.316 -5.773 -2.121 1.00 0.00 C ATOM 448 C GLY A 28 -13.554 -4.464 -2.113 1.00 0.00 C ATOM 449 O GLY A 28 -13.998 -3.478 -1.523 1.00 0.00 O ATOM 0 H GLY A 28 -12.937 -6.644 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.645 -5.996 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.213 -5.675 -1.509 1.00 0.00 H new ATOM 453 N ALA A 29 -12.397 -4.458 -2.768 1.00 0.00 N ATOM 454 CA ALA A 29 -11.562 -3.270 -2.838 1.00 0.00 C ATOM 455 C ALA A 29 -12.036 -2.341 -3.946 1.00 0.00 C ATOM 456 O ALA A 29 -12.691 -2.770 -4.896 1.00 0.00 O ATOM 457 CB ALA A 29 -10.108 -3.662 -3.059 1.00 0.00 C ATOM 0 H ALA A 29 -12.018 -5.268 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.642 -2.737 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.493 -2.764 -3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.770 -4.287 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.019 -4.216 -3.993 1.00 0.00 H new ATOM 463 N ASP A 30 -11.703 -1.066 -3.814 1.00 0.00 N ATOM 464 CA ASP A 30 -12.093 -0.067 -4.799 1.00 0.00 C ATOM 465 C ASP A 30 -10.891 0.793 -5.183 1.00 0.00 C ATOM 466 O ASP A 30 -10.665 1.078 -6.359 1.00 0.00 O ATOM 467 CB ASP A 30 -13.236 0.789 -4.236 1.00 0.00 C ATOM 468 CG ASP A 30 -13.075 2.275 -4.510 1.00 0.00 C ATOM 469 OD1 ASP A 30 -13.003 2.654 -5.697 1.00 0.00 O ATOM 470 OD2 ASP A 30 -13.023 3.056 -3.536 1.00 0.00 O ATOM 0 H ASP A 30 -11.162 -0.697 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.447 -0.563 -5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.179 0.449 -4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.300 0.631 -3.159 1.00 0.00 H new ATOM 475 N VAL A 31 -10.120 1.192 -4.179 1.00 0.00 N ATOM 476 CA VAL A 31 -8.935 2.007 -4.399 1.00 0.00 C ATOM 477 C VAL A 31 -7.865 1.687 -3.359 1.00 0.00 C ATOM 478 O VAL A 31 -8.065 1.900 -2.165 1.00 0.00 O ATOM 479 CB VAL A 31 -9.267 3.511 -4.348 1.00 0.00 C ATOM 480 CG1 VAL A 31 -9.823 3.893 -2.986 1.00 0.00 C ATOM 481 CG2 VAL A 31 -8.039 4.343 -4.689 1.00 0.00 C ATOM 0 H VAL A 31 -10.296 0.962 -3.201 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.557 1.770 -5.394 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.034 3.719 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.051 4.959 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.733 3.325 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.085 3.669 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.294 5.402 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.246 4.132 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.696 4.091 -5.693 1.00 0.00 H new ATOM 491 N THR A 32 -6.736 1.164 -3.820 1.00 0.00 N ATOM 492 CA THR A 32 -5.640 0.802 -2.934 1.00 0.00 C ATOM 493 C THR A 32 -5.042 2.028 -2.262 1.00 0.00 C ATOM 494 O THR A 32 -4.473 2.908 -2.908 1.00 0.00 O ATOM 495 CB THR A 32 -4.553 0.037 -3.694 1.00 0.00 C ATOM 496 OG1 THR A 32 -3.531 -0.391 -2.814 1.00 0.00 O ATOM 497 CG2 THR A 32 -3.901 0.833 -4.798 1.00 0.00 C ATOM 0 H THR A 32 -6.556 0.981 -4.807 1.00 0.00 H new ATOM 0 HA THR A 32 -6.049 0.153 -2.159 1.00 0.00 H new ATOM 0 HB THR A 32 -5.072 -0.809 -4.145 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.848 -0.879 -3.319 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.143 0.222 -5.288 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.655 1.129 -5.527 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.433 1.723 -4.377 1.00 0.00 H new ATOM 505 N ILE A 33 -5.171 2.063 -0.950 1.00 0.00 N ATOM 506 CA ILE A 33 -4.638 3.163 -0.158 1.00 0.00 C ATOM 507 C ILE A 33 -3.826 2.637 1.014 1.00 0.00 C ATOM 508 O ILE A 33 -4.347 1.935 1.879 1.00 0.00 O ATOM 509 CB ILE A 33 -5.739 4.090 0.398 1.00 0.00 C ATOM 510 CG1 ILE A 33 -6.953 4.122 -0.530 1.00 0.00 C ATOM 511 CG2 ILE A 33 -5.195 5.493 0.607 1.00 0.00 C ATOM 512 CD1 ILE A 33 -6.629 4.602 -1.929 1.00 0.00 C ATOM 0 H ILE A 33 -5.642 1.341 -0.405 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.009 3.740 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.061 3.692 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.383 3.122 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.714 4.772 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.984 6.134 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.368 5.461 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.843 5.892 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.536 4.600 -2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.227 5.614 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.891 3.938 -2.379 1.00 0.00 H new ATOM 524 N ILE A 34 -2.555 2.998 1.050 1.00 0.00 N ATOM 525 CA ILE A 34 -1.678 2.582 2.128 1.00 0.00 C ATOM 526 C ILE A 34 -1.221 3.815 2.891 1.00 0.00 C ATOM 527 O ILE A 34 -0.668 4.740 2.314 1.00 0.00 O ATOM 528 CB ILE A 34 -0.470 1.766 1.602 1.00 0.00 C ATOM 529 CG1 ILE A 34 -0.229 0.546 2.495 1.00 0.00 C ATOM 530 CG2 ILE A 34 0.790 2.618 1.520 1.00 0.00 C ATOM 531 CD1 ILE A 34 -1.018 -0.675 2.075 1.00 0.00 C ATOM 0 H ILE A 34 -2.107 3.580 0.342 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.228 1.922 2.799 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.708 1.430 0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.834 0.303 2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.489 0.801 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.616 2.012 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.620 3.455 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.038 2.998 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.798 -1.501 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.084 -0.450 2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.741 -0.955 1.059 1.00 0.00 H new ATOM 543 N LYS A 35 -1.491 3.834 4.182 1.00 0.00 N ATOM 544 CA LYS A 35 -1.142 4.976 5.016 1.00 0.00 C ATOM 545 C LYS A 35 0.341 5.289 4.955 1.00 0.00 C ATOM 546 O LYS A 35 1.148 4.460 4.537 1.00 0.00 O ATOM 547 CB LYS A 35 -1.558 4.715 6.462 1.00 0.00 C ATOM 548 CG LYS A 35 -1.146 3.342 6.969 1.00 0.00 C ATOM 549 CD LYS A 35 -2.314 2.363 6.948 1.00 0.00 C ATOM 550 CE LYS A 35 -2.269 1.389 8.119 1.00 0.00 C ATOM 551 NZ LYS A 35 -1.793 2.029 9.378 1.00 0.00 N ATOM 0 H LYS A 35 -1.952 3.072 4.680 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.680 5.842 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.117 5.478 7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.640 4.815 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.334 2.954 6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.761 3.429 7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.252 2.918 6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.301 1.804 6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.264 0.974 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.613 0.555 7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.425 1.767 10.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.828 1.705 9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.794 3.063 9.264 1.00 0.00 H new ATOM 565 N LEU A 36 0.695 6.499 5.376 1.00 0.00 N ATOM 566 CA LEU A 36 2.087 6.923 5.363 1.00 0.00 C ATOM 567 C LEU A 36 2.915 6.102 6.345 1.00 0.00 C ATOM 568 O LEU A 36 4.116 5.920 6.158 1.00 0.00 O ATOM 569 CB LEU A 36 2.197 8.410 5.697 1.00 0.00 C ATOM 570 CG LEU A 36 3.156 9.193 4.798 1.00 0.00 C ATOM 571 CD1 LEU A 36 3.106 10.678 5.119 1.00 0.00 C ATOM 572 CD2 LEU A 36 4.575 8.664 4.943 1.00 0.00 C ATOM 0 H LEU A 36 0.041 7.198 5.728 1.00 0.00 H new ATOM 0 HA LEU A 36 2.480 6.758 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.206 8.859 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.523 8.514 6.732 1.00 0.00 H new ATOM 0 HG LEU A 36 2.840 9.057 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.796 11.214 4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.094 11.050 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.392 10.835 6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.243 9.233 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.898 8.767 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.602 7.612 4.658 1.00 0.00 H new ATOM 584 N GLU A 37 2.265 5.607 7.394 1.00 0.00 N ATOM 585 CA GLU A 37 2.945 4.803 8.405 1.00 0.00 C ATOM 586 C GLU A 37 3.537 3.536 7.794 1.00 0.00 C ATOM 587 O GLU A 37 4.465 2.944 8.350 1.00 0.00 O ATOM 588 CB GLU A 37 1.976 4.435 9.531 1.00 0.00 C ATOM 589 CG GLU A 37 1.427 5.639 10.276 1.00 0.00 C ATOM 590 CD GLU A 37 0.454 5.253 11.372 1.00 0.00 C ATOM 591 OE1 GLU A 37 0.903 4.695 12.395 1.00 0.00 O ATOM 592 OE2 GLU A 37 -0.756 5.510 11.207 1.00 0.00 O ATOM 0 H GLU A 37 1.270 5.748 7.566 1.00 0.00 H new ATOM 0 HA GLU A 37 3.760 5.399 8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.145 3.867 9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.486 3.781 10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.254 6.201 10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.928 6.302 9.569 1.00 0.00 H new ATOM 599 N ASP A 38 2.998 3.121 6.651 1.00 0.00 N ATOM 600 CA ASP A 38 3.475 1.922 5.970 1.00 0.00 C ATOM 601 C ASP A 38 4.254 2.282 4.707 1.00 0.00 C ATOM 602 O ASP A 38 4.358 1.476 3.781 1.00 0.00 O ATOM 603 CB ASP A 38 2.298 1.011 5.617 1.00 0.00 C ATOM 604 CG ASP A 38 2.182 -0.171 6.558 1.00 0.00 C ATOM 605 OD1 ASP A 38 1.887 0.047 7.752 1.00 0.00 O ATOM 606 OD2 ASP A 38 2.387 -1.316 6.104 1.00 0.00 O ATOM 0 H ASP A 38 2.231 3.598 6.177 1.00 0.00 H new ATOM 0 HA ASP A 38 4.146 1.393 6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.374 1.588 5.646 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.415 0.649 4.596 1.00 0.00 H new ATOM 611 N TRP A 39 4.798 3.495 4.670 1.00 0.00 N ATOM 612 CA TRP A 39 5.560 3.952 3.515 1.00 0.00 C ATOM 613 C TRP A 39 7.065 3.839 3.768 1.00 0.00 C ATOM 614 O TRP A 39 7.524 3.940 4.907 1.00 0.00 O ATOM 615 CB TRP A 39 5.186 5.401 3.171 1.00 0.00 C ATOM 616 CG TRP A 39 6.372 6.311 3.027 1.00 0.00 C ATOM 617 CD1 TRP A 39 6.982 6.680 1.865 1.00 0.00 C ATOM 618 CD2 TRP A 39 7.099 6.953 4.083 1.00 0.00 C ATOM 619 NE1 TRP A 39 8.044 7.506 2.129 1.00 0.00 N ATOM 620 CE2 TRP A 39 8.134 7.696 3.484 1.00 0.00 C ATOM 621 CE3 TRP A 39 6.975 6.976 5.477 1.00 0.00 C ATOM 622 CZ2 TRP A 39 9.038 8.449 4.230 1.00 0.00 C ATOM 623 CZ3 TRP A 39 7.874 7.724 6.214 1.00 0.00 C ATOM 624 CH2 TRP A 39 8.891 8.454 5.590 1.00 0.00 C ATOM 0 H TRP A 39 4.725 4.177 5.425 1.00 0.00 H new ATOM 0 HA TRP A 39 5.310 3.311 2.669 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.617 5.409 2.241 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.531 5.793 3.949 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.673 6.367 0.879 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.666 7.913 1.431 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.191 6.419 5.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.827 9.009 3.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.790 7.745 7.290 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.574 9.033 6.194 1.00 0.00 H new ATOM 635 N PRO A 40 7.853 3.635 2.696 1.00 0.00 N ATOM 636 CA PRO A 40 9.312 3.518 2.795 1.00 0.00 C ATOM 637 C PRO A 40 9.949 4.730 3.467 1.00 0.00 C ATOM 638 O PRO A 40 10.008 5.811 2.879 1.00 0.00 O ATOM 639 CB PRO A 40 9.775 3.445 1.337 1.00 0.00 C ATOM 640 CG PRO A 40 8.586 2.988 0.571 1.00 0.00 C ATOM 641 CD PRO A 40 7.382 3.504 1.305 1.00 0.00 C ATOM 0 HA PRO A 40 9.598 2.656 3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.120 4.417 0.985 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.607 2.751 1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.612 3.370 -0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.563 1.900 0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.047 4.460 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.541 2.815 1.230 1.00 0.00 H new ATOM 649 N PRO A 41 10.457 4.571 4.699 1.00 0.00 N ATOM 650 CA PRO A 41 11.107 5.665 5.419 1.00 0.00 C ATOM 651 C PRO A 41 12.468 6.013 4.821 1.00 0.00 C ATOM 652 O PRO A 41 13.106 6.986 5.224 1.00 0.00 O ATOM 653 CB PRO A 41 11.268 5.113 6.835 1.00 0.00 C ATOM 654 CG PRO A 41 11.334 3.635 6.657 1.00 0.00 C ATOM 655 CD PRO A 41 10.456 3.316 5.478 1.00 0.00 C ATOM 0 HA PRO A 41 10.529 6.588 5.375 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.172 5.496 7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.429 5.399 7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 41 12.359 3.310 6.479 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.987 3.119 7.552 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.851 2.483 4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.449 3.038 5.790 1.00 0.00 H new ATOM 663 N ASN A 42 12.904 5.210 3.855 1.00 0.00 N ATOM 664 CA ASN A 42 14.183 5.423 3.194 1.00 0.00 C ATOM 665 C ASN A 42 14.203 6.750 2.444 1.00 0.00 C ATOM 666 O ASN A 42 15.210 7.459 2.447 1.00 0.00 O ATOM 667 CB ASN A 42 14.461 4.275 2.224 1.00 0.00 C ATOM 668 CG ASN A 42 15.944 4.042 2.007 1.00 0.00 C ATOM 669 OD1 ASN A 42 16.703 3.864 2.960 1.00 0.00 O ATOM 670 ND2 ASN A 42 16.363 4.044 0.747 1.00 0.00 N ATOM 0 H ASN A 42 12.385 4.401 3.512 1.00 0.00 H new ATOM 0 HA ASN A 42 14.960 5.454 3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.006 3.362 2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.987 4.490 1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.350 3.894 0.537 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.698 4.196 -0.011 1.00 0.00 H new ATOM 677 N TRP A 43 13.089 7.082 1.793 1.00 0.00 N ATOM 678 CA TRP A 43 13.000 8.326 1.033 1.00 0.00 C ATOM 679 C TRP A 43 11.746 9.121 1.401 1.00 0.00 C ATOM 680 O TRP A 43 10.746 8.551 1.833 1.00 0.00 O ATOM 681 CB TRP A 43 13.005 8.025 -0.467 1.00 0.00 C ATOM 682 CG TRP A 43 11.772 7.313 -0.932 1.00 0.00 C ATOM 683 CD1 TRP A 43 10.507 7.822 -0.989 1.00 0.00 C ATOM 684 CD2 TRP A 43 11.682 5.964 -1.399 1.00 0.00 C ATOM 685 NE1 TRP A 43 9.638 6.872 -1.466 1.00 0.00 N ATOM 686 CE2 TRP A 43 10.335 5.725 -1.724 1.00 0.00 C ATOM 687 CE3 TRP A 43 12.610 4.934 -1.576 1.00 0.00 C ATOM 688 CZ2 TRP A 43 9.892 4.503 -2.217 1.00 0.00 C ATOM 689 CZ3 TRP A 43 12.168 3.719 -2.064 1.00 0.00 C ATOM 690 CH2 TRP A 43 10.819 3.515 -2.380 1.00 0.00 C ATOM 0 H TRP A 43 12.243 6.512 1.777 1.00 0.00 H new ATOM 0 HA TRP A 43 13.869 8.934 1.285 1.00 0.00 H new ATOM 0 HB2 TRP A 43 13.106 8.960 -1.018 1.00 0.00 H new ATOM 0 HB3 TRP A 43 13.879 7.418 -0.706 1.00 0.00 H new ATOM 0 HD1 TRP A 43 10.230 8.825 -0.701 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.636 7.001 -1.605 1.00 0.00 H new ATOM 0 HE3 TRP A 43 13.652 5.085 -1.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.853 4.342 -2.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 12.874 2.914 -2.204 1.00 0.00 H new ATOM 0 HH2 TRP A 43 10.505 2.554 -2.761 1.00 0.00 H new ATOM 701 N PRO A 44 11.784 10.460 1.229 1.00 0.00 N ATOM 702 CA PRO A 44 10.653 11.338 1.541 1.00 0.00 C ATOM 703 C PRO A 44 9.557 11.273 0.482 1.00 0.00 C ATOM 704 O PRO A 44 9.803 10.899 -0.663 1.00 0.00 O ATOM 705 CB PRO A 44 11.273 12.745 1.580 1.00 0.00 C ATOM 706 CG PRO A 44 12.747 12.556 1.397 1.00 0.00 C ATOM 707 CD PRO A 44 12.925 11.227 0.722 1.00 0.00 C ATOM 0 HA PRO A 44 10.170 11.049 2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.860 13.374 0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.058 13.239 2.528 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.169 13.358 0.792 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.263 12.576 2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.903 11.317 -0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.875 10.762 0.984 1.00 0.00 H new ATOM 715 N ILE A 45 8.342 11.642 0.877 1.00 0.00 N ATOM 716 CA ILE A 45 7.202 11.622 -0.032 1.00 0.00 C ATOM 717 C ILE A 45 6.381 12.908 0.063 1.00 0.00 C ATOM 718 O ILE A 45 6.688 13.796 0.858 1.00 0.00 O ATOM 719 CB ILE A 45 6.289 10.415 0.249 1.00 0.00 C ATOM 720 CG1 ILE A 45 5.987 10.304 1.746 1.00 0.00 C ATOM 721 CG2 ILE A 45 6.934 9.137 -0.257 1.00 0.00 C ATOM 722 CD1 ILE A 45 4.568 10.673 2.094 1.00 0.00 C ATOM 0 H ILE A 45 8.122 11.959 1.821 1.00 0.00 H new ATOM 0 HA ILE A 45 7.607 11.540 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 45 5.348 10.564 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.181 9.283 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.669 10.951 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.277 8.292 -0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.101 9.214 -1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.888 8.986 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.419 10.573 3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.376 11.704 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.880 10.009 1.570 1.00 0.00 H new ATOM 734 N THR A 46 5.338 13.000 -0.762 1.00 0.00 N ATOM 735 CA THR A 46 4.470 14.165 -0.794 1.00 0.00 C ATOM 736 C THR A 46 3.238 13.946 0.095 1.00 0.00 C ATOM 737 O THR A 46 3.092 12.892 0.698 1.00 0.00 O ATOM 738 CB THR A 46 4.079 14.465 -2.241 1.00 0.00 C ATOM 739 OG1 THR A 46 3.742 13.268 -2.928 1.00 0.00 O ATOM 740 CG2 THR A 46 5.176 15.145 -3.029 1.00 0.00 C ATOM 0 H THR A 46 5.076 12.269 -1.423 1.00 0.00 H new ATOM 0 HA THR A 46 5.002 15.029 -0.395 1.00 0.00 H new ATOM 0 HB THR A 46 3.226 15.140 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.493 13.480 -3.852 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.832 15.329 -4.047 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.430 16.093 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.057 14.504 -3.054 1.00 0.00 H new ATOM 989 N GLN A 63 -0.238 12.953 -1.636 1.00 0.00 N ATOM 990 CA GLN A 63 0.381 11.900 -0.880 1.00 0.00 C ATOM 991 C GLN A 63 1.068 10.882 -1.766 1.00 0.00 C ATOM 992 O GLN A 63 0.793 10.765 -2.960 1.00 0.00 O ATOM 993 CB GLN A 63 -0.593 11.287 0.073 1.00 0.00 C ATOM 994 CG GLN A 63 -0.288 11.706 1.502 1.00 0.00 C ATOM 995 CD GLN A 63 1.190 11.662 1.867 1.00 0.00 C ATOM 996 OE1 GLN A 63 1.950 10.862 1.331 1.00 0.00 O ATOM 997 NE2 GLN A 63 1.602 12.532 2.783 1.00 0.00 N ATOM 0 HA GLN A 63 1.177 12.342 -0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.606 11.590 -0.191 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.554 10.201 -0.008 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.659 12.719 1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.838 11.057 2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.938 13.181 3.205 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.582 12.551 3.064 1.00 0.00 H new ATOM 1006 N SER A 64 2.016 10.198 -1.154 1.00 0.00 N ATOM 1007 CA SER A 64 2.855 9.215 -1.830 1.00 0.00 C ATOM 1008 C SER A 64 2.093 8.340 -2.815 1.00 0.00 C ATOM 1009 O SER A 64 0.913 8.042 -2.639 1.00 0.00 O ATOM 1010 CB SER A 64 3.573 8.329 -0.813 1.00 0.00 C ATOM 1011 OG SER A 64 4.816 7.882 -1.322 1.00 0.00 O ATOM 0 H SER A 64 2.231 10.307 -0.163 1.00 0.00 H new ATOM 0 HA SER A 64 3.580 9.790 -2.406 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.732 8.885 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.947 7.472 -0.566 1.00 0.00 H new ATOM 0 HG SER A 64 5.016 6.993 -0.962 1.00 0.00 H new ATOM 1017 N SER A 65 2.815 7.928 -3.849 1.00 0.00 N ATOM 1018 CA SER A 65 2.281 7.069 -4.896 1.00 0.00 C ATOM 1019 C SER A 65 3.020 5.727 -4.917 1.00 0.00 C ATOM 1020 O SER A 65 2.526 4.751 -5.479 1.00 0.00 O ATOM 1021 CB SER A 65 2.401 7.753 -6.259 1.00 0.00 C ATOM 1022 OG SER A 65 3.693 8.306 -6.443 1.00 0.00 O ATOM 0 H SER A 65 3.793 8.182 -3.985 1.00 0.00 H new ATOM 0 HA SER A 65 1.227 6.886 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.195 7.032 -7.050 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.651 8.539 -6.341 1.00 0.00 H new ATOM 0 HG SER A 65 3.743 8.735 -7.323 1.00 0.00 H new ATOM 1028 N LYS A 66 4.216 5.708 -4.307 1.00 0.00 N ATOM 1029 CA LYS A 66 5.075 4.518 -4.237 1.00 0.00 C ATOM 1030 C LYS A 66 4.352 3.245 -4.660 1.00 0.00 C ATOM 1031 O LYS A 66 3.450 2.774 -3.968 1.00 0.00 O ATOM 1032 CB LYS A 66 5.621 4.354 -2.815 1.00 0.00 C ATOM 1033 CG LYS A 66 6.528 3.149 -2.642 1.00 0.00 C ATOM 1034 CD LYS A 66 5.740 1.909 -2.252 1.00 0.00 C ATOM 1035 CE LYS A 66 6.644 0.835 -1.669 1.00 0.00 C ATOM 1036 NZ LYS A 66 7.031 -0.177 -2.691 1.00 0.00 N ATOM 0 H LYS A 66 4.616 6.525 -3.845 1.00 0.00 H new ATOM 0 HA LYS A 66 5.894 4.672 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.172 5.254 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.784 4.269 -2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.067 2.962 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.275 3.362 -1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.975 2.177 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.223 1.515 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.541 1.299 -1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.134 0.340 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.002 -1.127 -2.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.368 -0.134 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.994 0.022 -3.029 1.00 0.00 H new ATOM 1050 N TYR A 67 4.758 2.688 -5.797 1.00 0.00 N ATOM 1051 CA TYR A 67 4.140 1.468 -6.295 1.00 0.00 C ATOM 1052 C TYR A 67 4.329 0.331 -5.306 1.00 0.00 C ATOM 1053 O TYR A 67 5.426 -0.206 -5.154 1.00 0.00 O ATOM 1054 CB TYR A 67 4.711 1.071 -7.655 1.00 0.00 C ATOM 1055 CG TYR A 67 4.150 1.876 -8.802 1.00 0.00 C ATOM 1056 CD1 TYR A 67 4.714 3.089 -9.173 1.00 0.00 C ATOM 1057 CD2 TYR A 67 3.049 1.418 -9.510 1.00 0.00 C ATOM 1058 CE1 TYR A 67 4.195 3.823 -10.222 1.00 0.00 C ATOM 1059 CE2 TYR A 67 2.525 2.143 -10.558 1.00 0.00 C ATOM 1060 CZ TYR A 67 3.100 3.346 -10.913 1.00 0.00 C ATOM 1061 OH TYR A 67 2.580 4.072 -11.957 1.00 0.00 O ATOM 0 H TYR A 67 5.505 3.059 -6.384 1.00 0.00 H new ATOM 0 HA TYR A 67 3.074 1.665 -6.414 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.794 1.190 -7.634 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.509 0.014 -7.830 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.571 3.464 -8.634 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.595 0.477 -9.235 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.644 4.765 -10.500 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.668 1.771 -11.099 1.00 0.00 H new ATOM 0 HH TYR A 67 1.812 3.596 -12.336 1.00 0.00 H new ATOM 1071 N LEU A 68 3.244 -0.032 -4.647 1.00 0.00 N ATOM 1072 CA LEU A 68 3.262 -1.110 -3.678 1.00 0.00 C ATOM 1073 C LEU A 68 3.269 -2.450 -4.393 1.00 0.00 C ATOM 1074 O LEU A 68 2.251 -2.872 -4.949 1.00 0.00 O ATOM 1075 CB LEU A 68 2.048 -1.012 -2.751 1.00 0.00 C ATOM 1076 CG LEU A 68 2.298 -1.434 -1.303 1.00 0.00 C ATOM 1077 CD1 LEU A 68 3.369 -0.559 -0.672 1.00 0.00 C ATOM 1078 CD2 LEU A 68 1.008 -1.366 -0.499 1.00 0.00 C ATOM 0 H LEU A 68 2.332 0.409 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 68 4.166 -1.026 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.690 0.017 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.248 -1.630 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 68 2.651 -2.465 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.535 -0.873 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.297 -0.657 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.044 0.481 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.204 -1.670 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.626 -0.345 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.269 -2.035 -0.940 1.00 0.00 H new ATOM 1090 N THR A 69 4.418 -3.116 -4.384 1.00 0.00 N ATOM 1091 CA THR A 69 4.544 -4.408 -5.034 1.00 0.00 C ATOM 1092 C THR A 69 4.332 -5.529 -4.028 1.00 0.00 C ATOM 1093 O THR A 69 5.241 -5.888 -3.290 1.00 0.00 O ATOM 1094 CB THR A 69 5.920 -4.549 -5.690 1.00 0.00 C ATOM 1095 OG1 THR A 69 6.937 -4.052 -4.839 1.00 0.00 O ATOM 1096 CG2 THR A 69 6.035 -3.824 -7.012 1.00 0.00 C ATOM 0 H THR A 69 5.270 -2.782 -3.935 1.00 0.00 H new ATOM 0 HA THR A 69 3.779 -4.477 -5.808 1.00 0.00 H new ATOM 0 HB THR A 69 6.041 -5.617 -5.870 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.808 -4.153 -5.277 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.036 -3.967 -7.420 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.299 -4.222 -7.710 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.854 -2.760 -6.860 1.00 0.00 H new ATOM 1104 N TRP A 70 3.128 -6.086 -4.023 1.00 0.00 N ATOM 1105 CA TRP A 70 2.786 -7.178 -3.124 1.00 0.00 C ATOM 1106 C TRP A 70 2.655 -8.460 -3.911 1.00 0.00 C ATOM 1107 O TRP A 70 1.787 -8.586 -4.769 1.00 0.00 O ATOM 1108 CB TRP A 70 1.477 -6.890 -2.394 1.00 0.00 C ATOM 1109 CG TRP A 70 1.394 -7.517 -1.035 1.00 0.00 C ATOM 1110 CD1 TRP A 70 2.428 -7.999 -0.284 1.00 0.00 C ATOM 1111 CD2 TRP A 70 0.205 -7.735 -0.266 1.00 0.00 C ATOM 1112 NE1 TRP A 70 1.952 -8.505 0.902 1.00 0.00 N ATOM 1113 CE2 TRP A 70 0.592 -8.354 0.936 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -1.152 -7.467 -0.478 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -0.325 -8.707 1.922 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -2.061 -7.819 0.501 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -1.643 -8.434 1.688 1.00 0.00 C ATOM 0 H TRP A 70 2.367 -5.796 -4.637 1.00 0.00 H new ATOM 0 HA TRP A 70 3.580 -7.279 -2.384 1.00 0.00 H new ATOM 0 HB2 TRP A 70 1.357 -5.811 -2.295 1.00 0.00 H new ATOM 0 HB3 TRP A 70 0.646 -7.249 -3.001 1.00 0.00 H new ATOM 0 HD1 TRP A 70 3.467 -7.985 -0.579 1.00 0.00 H new ATOM 0 HE1 TRP A 70 2.520 -8.925 1.638 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.483 -6.993 -1.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.006 -9.180 2.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.111 -7.617 0.349 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.378 -8.698 2.434 1.00 0.00 H new ATOM 1128 N ARG A 71 3.524 -9.404 -3.629 1.00 0.00 N ATOM 1129 CA ARG A 71 3.510 -10.668 -4.325 1.00 0.00 C ATOM 1130 C ARG A 71 3.757 -11.816 -3.362 1.00 0.00 C ATOM 1131 O ARG A 71 4.425 -11.647 -2.343 1.00 0.00 O ATOM 1132 CB ARG A 71 4.565 -10.658 -5.426 1.00 0.00 C ATOM 1133 CG ARG A 71 4.358 -9.555 -6.454 1.00 0.00 C ATOM 1134 CD ARG A 71 5.628 -8.747 -6.681 1.00 0.00 C ATOM 1135 NE ARG A 71 6.176 -8.196 -5.439 1.00 0.00 N ATOM 1136 CZ ARG A 71 7.440 -7.804 -5.304 1.00 0.00 C ATOM 1137 NH1 ARG A 71 8.283 -7.887 -6.326 1.00 0.00 N ATOM 1138 NH2 ARG A 71 7.863 -7.325 -4.144 1.00 0.00 N ATOM 0 H ARG A 71 4.252 -9.319 -2.919 1.00 0.00 H new ATOM 0 HA ARG A 71 2.527 -10.812 -4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.550 -10.542 -4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.559 -11.623 -5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.033 -9.994 -7.397 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.560 -8.892 -6.120 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.378 -9.381 -7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.417 -7.932 -7.373 1.00 0.00 H new ATOM 0 HE ARG A 71 5.555 -8.108 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.963 -8.253 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.251 -7.584 -6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.220 -7.257 -3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.832 -7.024 -4.039 1.00 0.00 H new ATOM 1152 N ASP A 72 3.224 -12.986 -3.689 1.00 0.00 N ATOM 1153 CA ASP A 72 3.399 -14.152 -2.836 1.00 0.00 C ATOM 1154 C ASP A 72 4.777 -14.749 -3.062 1.00 0.00 C ATOM 1155 O ASP A 72 5.432 -14.442 -4.062 1.00 0.00 O ATOM 1156 CB ASP A 72 2.320 -15.217 -3.096 1.00 0.00 C ATOM 1157 CG ASP A 72 1.112 -14.685 -3.845 1.00 0.00 C ATOM 1158 OD1 ASP A 72 0.526 -13.682 -3.390 1.00 0.00 O ATOM 1159 OD2 ASP A 72 0.751 -15.274 -4.886 1.00 0.00 O ATOM 0 H ASP A 72 2.672 -13.151 -4.531 1.00 0.00 H new ATOM 0 HA ASP A 72 3.301 -13.826 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.759 -16.036 -3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.993 -15.632 -2.142 1.00 0.00 H new ATOM 1164 N LYS A 73 5.206 -15.595 -2.124 1.00 0.00 N ATOM 1165 CA LYS A 73 6.513 -16.247 -2.189 1.00 0.00 C ATOM 1166 C LYS A 73 6.842 -16.725 -3.600 1.00 0.00 C ATOM 1167 O LYS A 73 8.012 -16.825 -3.970 1.00 0.00 O ATOM 1168 CB LYS A 73 6.564 -17.427 -1.217 1.00 0.00 C ATOM 1169 CG LYS A 73 5.354 -18.341 -1.303 1.00 0.00 C ATOM 1170 CD LYS A 73 5.586 -19.477 -2.286 1.00 0.00 C ATOM 1171 CE LYS A 73 4.459 -20.496 -2.239 1.00 0.00 C ATOM 1172 NZ LYS A 73 3.555 -20.380 -3.416 1.00 0.00 N ATOM 0 H LYS A 73 4.659 -15.846 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 73 7.261 -15.506 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.464 -18.010 -1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.648 -17.045 -0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.134 -18.750 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.482 -17.764 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.671 -19.074 -3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.532 -19.969 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.880 -21.501 -2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.883 -20.358 -1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.800 -21.092 -3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.133 -19.430 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.099 -20.537 -4.288 1.00 0.00 H new ATOM 1186 N GLU A 74 5.812 -17.007 -4.390 1.00 0.00 N ATOM 1187 CA GLU A 74 6.015 -17.459 -5.760 1.00 0.00 C ATOM 1188 C GLU A 74 6.426 -16.295 -6.666 1.00 0.00 C ATOM 1189 O GLU A 74 6.548 -16.456 -7.880 1.00 0.00 O ATOM 1190 CB GLU A 74 4.746 -18.123 -6.298 1.00 0.00 C ATOM 1191 CG GLU A 74 4.999 -19.060 -7.468 1.00 0.00 C ATOM 1192 CD GLU A 74 5.868 -20.243 -7.086 1.00 0.00 C ATOM 1193 OE1 GLU A 74 7.094 -20.057 -6.940 1.00 0.00 O ATOM 1194 OE2 GLU A 74 5.321 -21.355 -6.934 1.00 0.00 O ATOM 0 H GLU A 74 4.835 -16.931 -4.107 1.00 0.00 H new ATOM 0 HA GLU A 74 6.822 -18.192 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.269 -18.681 -5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.044 -17.349 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.045 -19.422 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.478 -18.507 -8.276 1.00 0.00 H new ATOM 1201 N ASN A 75 6.646 -15.126 -6.065 1.00 0.00 N ATOM 1202 CA ASN A 75 7.052 -13.937 -6.801 1.00 0.00 C ATOM 1203 C ASN A 75 5.917 -13.402 -7.668 1.00 0.00 C ATOM 1204 O ASN A 75 6.135 -13.039 -8.825 1.00 0.00 O ATOM 1205 CB ASN A 75 8.278 -14.234 -7.668 1.00 0.00 C ATOM 1206 CG ASN A 75 8.914 -12.972 -8.219 1.00 0.00 C ATOM 1207 OD1 ASN A 75 8.777 -11.894 -7.642 1.00 0.00 O ATOM 1208 ND2 ASN A 75 9.615 -13.101 -9.339 1.00 0.00 N ATOM 0 H ASN A 75 6.548 -14.980 -5.060 1.00 0.00 H new ATOM 0 HA ASN A 75 7.310 -13.171 -6.070 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.013 -14.781 -7.078 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.987 -14.882 -8.495 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.066 -12.286 -9.755 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.702 -14.015 -9.784 1.00 0.00 H new ATOM 1215 N ASN A 76 4.707 -13.337 -7.111 1.00 0.00 N ATOM 1216 CA ASN A 76 3.566 -12.819 -7.877 1.00 0.00 C ATOM 1217 C ASN A 76 2.282 -12.730 -7.045 1.00 0.00 C ATOM 1218 O ASN A 76 2.012 -13.586 -6.204 1.00 0.00 O ATOM 1219 CB ASN A 76 3.324 -13.688 -9.120 1.00 0.00 C ATOM 1220 CG ASN A 76 2.523 -14.944 -8.821 1.00 0.00 C ATOM 1221 OD1 ASN A 76 2.985 -15.726 -7.850 1.00 0.00 O flip ATOM 1222 ND2 ASN A 76 1.500 -15.207 -9.453 1.00 0.00 N flip ATOM 0 H ASN A 76 4.491 -13.628 -6.157 1.00 0.00 H new ATOM 0 HA ASN A 76 3.824 -11.804 -8.178 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.798 -13.099 -9.871 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.284 -13.971 -9.551 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.181 -14.579 -10.191 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.972 -16.053 -9.239 1.00 0.00 H new ATOM 1229 N SER A 77 1.486 -11.690 -7.319 1.00 0.00 N ATOM 1230 CA SER A 77 0.209 -11.480 -6.632 1.00 0.00 C ATOM 1231 C SER A 77 -0.461 -10.180 -7.082 1.00 0.00 C ATOM 1232 O SER A 77 -1.634 -10.178 -7.457 1.00 0.00 O ATOM 1233 CB SER A 77 0.388 -11.463 -5.115 1.00 0.00 C ATOM 1234 OG SER A 77 -0.792 -11.889 -4.460 1.00 0.00 O ATOM 0 H SER A 77 1.706 -10.978 -8.015 1.00 0.00 H new ATOM 0 HA SER A 77 -0.434 -12.318 -6.901 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.218 -12.112 -4.836 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.647 -10.456 -4.787 1.00 0.00 H new ATOM 0 HG SER A 77 -0.592 -12.667 -3.898 1.00 0.00 H new ATOM 1240 N GLY A 78 0.282 -9.074 -7.035 1.00 0.00 N ATOM 1241 CA GLY A 78 -0.273 -7.789 -7.431 1.00 0.00 C ATOM 1242 C GLY A 78 0.627 -6.622 -7.062 1.00 0.00 C ATOM 1243 O GLY A 78 1.221 -6.610 -5.986 1.00 0.00 O ATOM 0 H GLY A 78 1.255 -9.045 -6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.440 -7.787 -8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.246 -7.656 -6.957 1.00 0.00 H new ATOM 1247 N LEU A 79 0.734 -5.636 -7.950 1.00 0.00 N ATOM 1248 CA LEU A 79 1.579 -4.473 -7.687 1.00 0.00 C ATOM 1249 C LEU A 79 1.142 -3.251 -8.495 1.00 0.00 C ATOM 1250 O LEU A 79 1.051 -3.311 -9.722 1.00 0.00 O ATOM 1251 CB LEU A 79 3.038 -4.806 -8.002 1.00 0.00 C ATOM 1252 CG LEU A 79 3.337 -5.093 -9.476 1.00 0.00 C ATOM 1253 CD1 LEU A 79 4.299 -4.053 -10.036 1.00 0.00 C ATOM 1254 CD2 LEU A 79 3.906 -6.494 -9.644 1.00 0.00 C ATOM 0 H LEU A 79 0.252 -5.618 -8.849 1.00 0.00 H new ATOM 0 HA LEU A 79 1.475 -4.226 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.662 -3.974 -7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.331 -5.675 -7.412 1.00 0.00 H new ATOM 0 HG LEU A 79 2.403 -5.035 -10.035 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.501 -4.272 -11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.853 -3.062 -9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.232 -4.080 -9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.112 -6.679 -10.698 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.830 -6.582 -9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.184 -7.226 -9.281 1.00 0.00 H new ATOM 1266 N ILE A 80 0.895 -2.136 -7.803 1.00 0.00 N ATOM 1267 CA ILE A 80 0.491 -0.895 -8.469 1.00 0.00 C ATOM 1268 C ILE A 80 0.761 0.328 -7.593 1.00 0.00 C ATOM 1269 O ILE A 80 1.238 0.198 -6.471 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.993 -0.900 -8.865 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -1.879 -1.073 -7.629 1.00 0.00 C ATOM 1272 CG2 ILE A 80 -1.273 -1.995 -9.885 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -2.951 -0.013 -7.510 1.00 0.00 C ATOM 0 H ILE A 80 0.967 -2.067 -6.788 1.00 0.00 H new ATOM 0 HA ILE A 80 1.095 -0.836 -9.374 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.229 0.061 -9.323 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.351 -2.055 -7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.254 -1.050 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.330 -1.982 -10.152 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.671 -1.824 -10.777 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.019 -2.965 -9.457 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.543 -0.194 -6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.485 0.970 -7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.598 -0.050 -8.386 1.00 0.00 H new ATOM 1285 N LYS A 81 0.460 1.517 -8.120 1.00 0.00 N ATOM 1286 CA LYS A 81 0.685 2.765 -7.388 1.00 0.00 C ATOM 1287 C LYS A 81 -0.536 3.184 -6.564 1.00 0.00 C ATOM 1288 O LYS A 81 -1.553 3.603 -7.116 1.00 0.00 O ATOM 1289 CB LYS A 81 1.048 3.890 -8.361 1.00 0.00 C ATOM 1290 CG LYS A 81 0.121 3.989 -9.560 1.00 0.00 C ATOM 1291 CD LYS A 81 0.366 5.265 -10.351 1.00 0.00 C ATOM 1292 CE LYS A 81 -0.182 6.485 -9.628 1.00 0.00 C ATOM 1293 NZ LYS A 81 -1.325 7.098 -10.362 1.00 0.00 N ATOM 0 H LYS A 81 0.060 1.642 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 81 1.509 2.585 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.035 4.839 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.068 3.737 -8.714 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.268 3.125 -10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.915 3.962 -9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.436 5.390 -10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.102 5.182 -11.332 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.505 6.199 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.611 7.223 -9.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.670 7.927 -9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.011 7.394 -11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.092 6.402 -10.454 1.00 0.00 H new ATOM 1307 N PRO A 82 -0.447 3.086 -5.223 1.00 0.00 N ATOM 1308 CA PRO A 82 -1.519 3.459 -4.318 1.00 0.00 C ATOM 1309 C PRO A 82 -1.343 4.867 -3.769 1.00 0.00 C ATOM 1310 O PRO A 82 -0.404 5.573 -4.134 1.00 0.00 O ATOM 1311 CB PRO A 82 -1.369 2.430 -3.195 1.00 0.00 C ATOM 1312 CG PRO A 82 0.064 1.975 -3.243 1.00 0.00 C ATOM 1313 CD PRO A 82 0.705 2.606 -4.458 1.00 0.00 C ATOM 0 HA PRO A 82 -2.496 3.463 -4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.607 2.871 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.050 1.592 -3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.590 2.271 -2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.119 0.888 -3.303 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.376 3.420 -4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.294 1.885 -5.024 1.00 0.00 H new ATOM 1321 N PHE A 83 -2.246 5.266 -2.885 1.00 0.00 N ATOM 1322 CA PHE A 83 -2.183 6.589 -2.278 1.00 0.00 C ATOM 1323 C PHE A 83 -1.797 6.473 -0.808 1.00 0.00 C ATOM 1324 O PHE A 83 -2.485 5.811 -0.031 1.00 0.00 O ATOM 1325 CB PHE A 83 -3.529 7.306 -2.418 1.00 0.00 C ATOM 1326 CG PHE A 83 -3.487 8.486 -3.344 1.00 0.00 C ATOM 1327 CD1 PHE A 83 -2.912 9.680 -2.938 1.00 0.00 C ATOM 1328 CD2 PHE A 83 -4.019 8.402 -4.621 1.00 0.00 C ATOM 1329 CE1 PHE A 83 -2.870 10.768 -3.789 1.00 0.00 C ATOM 1330 CE2 PHE A 83 -3.980 9.488 -5.475 1.00 0.00 C ATOM 1331 CZ PHE A 83 -3.405 10.672 -5.059 1.00 0.00 C ATOM 0 H PHE A 83 -3.030 4.694 -2.572 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.424 7.175 -2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.273 6.597 -2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.858 7.639 -1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.492 9.761 -1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.469 7.478 -4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.419 11.693 -3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.399 9.410 -6.467 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.373 11.522 -5.725 1.00 0.00 H new ATOM 1341 N VAL A 84 -0.692 7.107 -0.424 1.00 0.00 N ATOM 1342 CA VAL A 84 -0.237 7.047 0.946 1.00 0.00 C ATOM 1343 C VAL A 84 -0.302 8.408 1.610 1.00 0.00 C ATOM 1344 O VAL A 84 0.473 9.298 1.265 1.00 0.00 O ATOM 1345 CB VAL A 84 1.229 6.574 0.994 1.00 0.00 C ATOM 1346 CG1 VAL A 84 1.622 6.158 2.390 1.00 0.00 C ATOM 1347 CG2 VAL A 84 1.479 5.447 0.010 1.00 0.00 C ATOM 0 H VAL A 84 -0.104 7.663 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.890 6.351 1.473 1.00 0.00 H new ATOM 0 HB VAL A 84 1.853 7.419 0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.661 5.829 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.507 7.004 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.982 5.340 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.522 5.137 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.835 4.602 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.260 5.791 -1.001 1.00 0.00 H new ATOM 1357 N ILE A 85 -1.199 8.524 2.594 1.00 0.00 N ATOM 1358 CA ILE A 85 -1.399 9.730 3.375 1.00 0.00 C ATOM 1359 C ILE A 85 -1.201 9.415 4.855 1.00 0.00 C ATOM 1360 O ILE A 85 -1.455 8.294 5.296 1.00 0.00 O ATOM 1361 CB ILE A 85 -2.824 10.324 3.166 1.00 0.00 C ATOM 1362 CG1 ILE A 85 -3.680 9.410 2.276 1.00 0.00 C ATOM 1363 CG2 ILE A 85 -2.781 11.754 2.589 1.00 0.00 C ATOM 1364 CD1 ILE A 85 -3.299 9.442 0.813 1.00 0.00 C ATOM 0 H ILE A 85 -1.816 7.760 2.869 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.671 10.469 3.040 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.287 10.383 4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.598 8.386 2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.726 9.700 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.798 12.125 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.240 12.407 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.275 11.742 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.950 8.771 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.409 10.457 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.263 9.122 0.700 1.00 0.00 H new ATOM 1376 N PRO A 86 -0.739 10.398 5.645 1.00 0.00 N ATOM 1377 CA PRO A 86 -0.507 10.208 7.071 1.00 0.00 C ATOM 1378 C PRO A 86 -1.782 10.375 7.886 1.00 0.00 C ATOM 1379 O PRO A 86 -1.778 11.019 8.935 1.00 0.00 O ATOM 1380 CB PRO A 86 0.489 11.315 7.403 1.00 0.00 C ATOM 1381 CG PRO A 86 0.159 12.416 6.454 1.00 0.00 C ATOM 1382 CD PRO A 86 -0.402 11.765 5.211 1.00 0.00 C ATOM 0 HA PRO A 86 -0.150 9.205 7.305 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.389 11.641 8.438 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.517 10.975 7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.566 13.101 6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.047 13.002 6.217 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.281 12.295 4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.327 11.758 4.401 1.00 0.00 H new ATOM 1390 N ASN A 87 -2.876 9.797 7.397 1.00 0.00 N ATOM 1391 CA ASN A 87 -4.150 9.896 8.087 1.00 0.00 C ATOM 1392 C ASN A 87 -4.773 8.526 8.338 1.00 0.00 C ATOM 1393 O ASN A 87 -5.839 8.428 8.944 1.00 0.00 O ATOM 1394 CB ASN A 87 -5.122 10.773 7.296 1.00 0.00 C ATOM 1395 CG ASN A 87 -5.948 11.673 8.194 1.00 0.00 C ATOM 1396 OD1 ASN A 87 -5.926 12.971 7.912 1.00 0.00 O flip ATOM 1397 ND2 ASN A 87 -6.598 11.208 9.129 1.00 0.00 N flip ATOM 0 H ASN A 87 -2.902 9.259 6.531 1.00 0.00 H new ATOM 0 HA ASN A 87 -3.955 10.356 9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.562 11.385 6.589 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.787 10.138 6.711 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.586 10.204 9.309 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.149 11.826 9.724 1.00 0.00 H new ATOM 1404 N LEU A 88 -4.109 7.467 7.878 1.00 0.00 N ATOM 1405 CA LEU A 88 -4.610 6.111 8.070 1.00 0.00 C ATOM 1406 C LEU A 88 -5.878 5.873 7.259 1.00 0.00 C ATOM 1407 O LEU A 88 -6.986 5.943 7.792 1.00 0.00 O ATOM 1408 CB LEU A 88 -4.882 5.848 9.558 1.00 0.00 C ATOM 1409 CG LEU A 88 -5.247 4.404 9.933 1.00 0.00 C ATOM 1410 CD1 LEU A 88 -6.756 4.214 9.917 1.00 0.00 C ATOM 1411 CD2 LEU A 88 -4.565 3.407 9.007 1.00 0.00 C ATOM 0 H LEU A 88 -3.225 7.523 7.371 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.845 5.419 7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.997 6.136 10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.693 6.501 9.879 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.888 4.216 10.945 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.996 3.185 10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.216 4.893 10.635 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.139 4.428 8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.842 2.393 9.296 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.880 3.590 7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.484 3.523 9.081 1.00 0.00 H new ATOM 1423 N PRO A 89 -5.736 5.576 5.954 1.00 0.00 N ATOM 1424 CA PRO A 89 -6.872 5.316 5.072 1.00 0.00 C ATOM 1425 C PRO A 89 -7.436 3.907 5.258 1.00 0.00 C ATOM 1426 O PRO A 89 -8.096 3.377 4.367 1.00 0.00 O ATOM 1427 CB PRO A 89 -6.285 5.468 3.657 1.00 0.00 C ATOM 1428 CG PRO A 89 -4.858 5.884 3.841 1.00 0.00 C ATOM 1429 CD PRO A 89 -4.470 5.465 5.226 1.00 0.00 C ATOM 0 HA PRO A 89 -7.701 5.993 5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.349 4.530 3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.837 6.213 3.084 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.217 5.410 3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.748 6.961 3.716 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -4.077 4.449 5.248 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.701 6.114 5.646 1.00 0.00 H new ATOM 1437 N VAL A 90 -7.165 3.308 6.422 1.00 0.00 N ATOM 1438 CA VAL A 90 -7.636 1.961 6.738 1.00 0.00 C ATOM 1439 C VAL A 90 -6.782 0.893 6.058 1.00 0.00 C ATOM 1440 O VAL A 90 -7.045 -0.303 6.190 1.00 0.00 O ATOM 1441 CB VAL A 90 -9.100 1.781 6.324 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -9.622 0.414 6.742 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -9.958 2.895 6.909 1.00 0.00 C ATOM 0 H VAL A 90 -6.617 3.742 7.165 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.550 1.840 7.818 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.158 1.839 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.663 0.313 6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.026 -0.364 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.551 0.313 7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.995 2.753 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.892 2.872 7.997 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.602 3.858 6.544 1.00 0.00 H new ATOM 1453 N ASN A 91 -5.757 1.331 5.336 1.00 0.00 N ATOM 1454 CA ASN A 91 -4.860 0.414 4.641 1.00 0.00 C ATOM 1455 C ASN A 91 -5.628 -0.517 3.706 1.00 0.00 C ATOM 1456 O ASN A 91 -5.667 -1.729 3.916 1.00 0.00 O ATOM 1457 CB ASN A 91 -4.060 -0.409 5.653 1.00 0.00 C ATOM 1458 CG ASN A 91 -2.957 -1.217 4.998 1.00 0.00 C ATOM 1459 OD1 ASN A 91 -1.714 -0.934 5.371 1.00 0.00 O flip ATOM 1460 ND2 ASN A 91 -3.219 -2.086 4.166 1.00 0.00 N flip ATOM 0 H ASN A 91 -5.526 2.317 5.216 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.176 1.011 4.037 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.625 0.258 6.397 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.734 -1.082 6.183 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.189 -2.270 3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.466 -2.622 3.734 1.00 0.00 H new ATOM 1467 N LEU A 92 -6.227 0.056 2.666 1.00 0.00 N ATOM 1468 CA LEU A 92 -6.979 -0.731 1.696 1.00 0.00 C ATOM 1469 C LEU A 92 -6.111 -1.095 0.510 1.00 0.00 C ATOM 1470 O LEU A 92 -5.115 -0.435 0.220 1.00 0.00 O ATOM 1471 CB LEU A 92 -8.202 0.034 1.186 1.00 0.00 C ATOM 1472 CG LEU A 92 -9.482 -0.187 1.990 1.00 0.00 C ATOM 1473 CD1 LEU A 92 -9.902 -1.647 1.916 1.00 0.00 C ATOM 1474 CD2 LEU A 92 -9.286 0.240 3.434 1.00 0.00 C ATOM 0 H LEU A 92 -6.206 1.058 2.474 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.307 -1.636 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.971 1.099 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.386 -0.254 0.151 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.274 0.425 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.815 -1.793 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.081 -1.922 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.110 -2.275 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.209 0.075 3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.483 -0.346 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -9.026 1.298 3.468 1.00 0.00 H new ATOM 1486 N TRP A 93 -6.524 -2.134 -0.189 1.00 0.00 N ATOM 1487 CA TRP A 93 -5.823 -2.584 -1.371 1.00 0.00 C ATOM 1488 C TRP A 93 -6.721 -2.399 -2.578 1.00 0.00 C ATOM 1489 O TRP A 93 -7.890 -2.038 -2.443 1.00 0.00 O ATOM 1490 CB TRP A 93 -5.400 -4.045 -1.227 1.00 0.00 C ATOM 1491 CG TRP A 93 -3.944 -4.256 -1.502 1.00 0.00 C ATOM 1492 CD1 TRP A 93 -3.386 -4.663 -2.676 1.00 0.00 C ATOM 1493 CD2 TRP A 93 -2.860 -4.063 -0.587 1.00 0.00 C ATOM 1494 NE1 TRP A 93 -2.021 -4.739 -2.551 1.00 0.00 N ATOM 1495 CE2 TRP A 93 -1.675 -4.374 -1.276 1.00 0.00 C ATOM 1496 CE3 TRP A 93 -2.778 -3.658 0.749 1.00 0.00 C ATOM 1497 CZ2 TRP A 93 -0.423 -4.292 -0.678 1.00 0.00 C ATOM 1498 CZ3 TRP A 93 -1.531 -3.576 1.342 1.00 0.00 C ATOM 1499 CH2 TRP A 93 -0.369 -3.892 0.629 1.00 0.00 C ATOM 0 H TRP A 93 -7.349 -2.685 0.046 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.917 -1.992 -1.502 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -5.628 -4.387 -0.217 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -5.987 -4.658 -1.911 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -3.938 -4.893 -3.575 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.372 -5.021 -3.286 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.670 -3.414 1.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.475 -4.535 -1.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.453 -3.263 2.373 1.00 0.00 H new ATOM 0 HH2 TRP A 93 0.590 -3.819 1.121 1.00 0.00 H new ATOM 1510 N GLY A 94 -6.171 -2.624 -3.754 1.00 0.00 N ATOM 1511 CA GLY A 94 -6.943 -2.453 -4.961 1.00 0.00 C ATOM 1512 C GLY A 94 -7.442 -3.768 -5.526 1.00 0.00 C ATOM 1513 O GLY A 94 -6.695 -4.744 -5.599 1.00 0.00 O ATOM 0 H GLY A 94 -5.206 -2.921 -3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.794 -1.804 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.332 -1.949 -5.710 1.00 0.00 H new ATOM 1517 N ARG A 95 -8.716 -3.796 -5.918 1.00 0.00 N ATOM 1518 CA ARG A 95 -9.333 -5.005 -6.465 1.00 0.00 C ATOM 1519 C ARG A 95 -8.476 -5.638 -7.556 1.00 0.00 C ATOM 1520 O ARG A 95 -8.563 -6.840 -7.799 1.00 0.00 O ATOM 1521 CB ARG A 95 -10.719 -4.683 -7.021 1.00 0.00 C ATOM 1522 CG ARG A 95 -10.736 -3.495 -7.966 1.00 0.00 C ATOM 1523 CD ARG A 95 -11.796 -2.482 -7.565 1.00 0.00 C ATOM 1524 NE ARG A 95 -13.112 -3.099 -7.420 1.00 0.00 N ATOM 1525 CZ ARG A 95 -13.862 -3.497 -8.443 1.00 0.00 C ATOM 1526 NH1 ARG A 95 -13.435 -3.340 -9.690 1.00 0.00 N ATOM 1527 NH2 ARG A 95 -15.044 -4.057 -8.219 1.00 0.00 N ATOM 0 H ARG A 95 -9.343 -2.993 -5.867 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.421 -5.723 -5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.103 -5.558 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -11.397 -4.485 -6.191 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.756 -3.017 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.926 -3.840 -8.983 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.510 -2.011 -6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.846 -1.693 -8.315 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.478 -3.233 -6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.526 -2.912 -9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.015 -3.648 -10.470 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -15.376 -4.182 -7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.620 -4.363 -9.003 1.00 0.00 H new ATOM 1541 N ASP A 96 -7.651 -4.833 -8.210 1.00 0.00 N ATOM 1542 CA ASP A 96 -6.787 -5.339 -9.268 1.00 0.00 C ATOM 1543 C ASP A 96 -5.757 -6.315 -8.702 1.00 0.00 C ATOM 1544 O ASP A 96 -5.476 -7.355 -9.301 1.00 0.00 O ATOM 1545 CB ASP A 96 -6.078 -4.182 -9.975 1.00 0.00 C ATOM 1546 CG ASP A 96 -6.841 -3.692 -11.191 1.00 0.00 C ATOM 1547 OD1 ASP A 96 -8.050 -3.412 -11.058 1.00 0.00 O ATOM 1548 OD2 ASP A 96 -6.228 -3.589 -12.274 1.00 0.00 O ATOM 0 H ASP A 96 -7.561 -3.833 -8.029 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.407 -5.868 -9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.948 -3.357 -9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.081 -4.502 -10.279 1.00 0.00 H new ATOM 1553 N LEU A 97 -5.203 -5.972 -7.543 1.00 0.00 N ATOM 1554 CA LEU A 97 -4.204 -6.817 -6.896 1.00 0.00 C ATOM 1555 C LEU A 97 -4.856 -7.976 -6.158 1.00 0.00 C ATOM 1556 O LEU A 97 -4.233 -9.015 -5.965 1.00 0.00 O ATOM 1557 CB LEU A 97 -3.352 -6.006 -5.926 1.00 0.00 C ATOM 1558 CG LEU A 97 -2.748 -4.733 -6.509 1.00 0.00 C ATOM 1559 CD1 LEU A 97 -3.707 -3.569 -6.336 1.00 0.00 C ATOM 1560 CD2 LEU A 97 -1.409 -4.433 -5.854 1.00 0.00 C ATOM 0 H LEU A 97 -5.428 -5.117 -7.034 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.563 -7.220 -7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.964 -5.739 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.544 -6.639 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.579 -4.882 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.263 -2.667 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.642 -3.788 -6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.905 -3.415 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.991 -3.521 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.550 -4.299 -4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.724 -5.263 -6.029 1.00 0.00 H new ATOM 1572 N LEU A 98 -6.112 -7.802 -5.752 1.00 0.00 N ATOM 1573 CA LEU A 98 -6.826 -8.862 -5.053 1.00 0.00 C ATOM 1574 C LEU A 98 -7.292 -9.910 -6.052 1.00 0.00 C ATOM 1575 O LEU A 98 -7.146 -11.114 -5.827 1.00 0.00 O ATOM 1576 CB LEU A 98 -8.018 -8.303 -4.264 1.00 0.00 C ATOM 1577 CG LEU A 98 -7.662 -7.492 -3.009 1.00 0.00 C ATOM 1578 CD1 LEU A 98 -6.426 -8.050 -2.321 1.00 0.00 C ATOM 1579 CD2 LEU A 98 -7.448 -6.031 -3.365 1.00 0.00 C ATOM 0 H LEU A 98 -6.649 -6.947 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.145 -9.325 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.606 -7.670 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.657 -9.135 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.499 -7.570 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.201 -7.454 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.609 -9.083 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.580 -8.014 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.197 -5.470 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.633 -5.947 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.361 -5.626 -3.802 1.00 0.00 H new ATOM 1591 N SER A 99 -7.828 -9.440 -7.177 1.00 0.00 N ATOM 1592 CA SER A 99 -8.289 -10.330 -8.235 1.00 0.00 C ATOM 1593 C SER A 99 -7.133 -11.201 -8.702 1.00 0.00 C ATOM 1594 O SER A 99 -7.262 -12.418 -8.829 1.00 0.00 O ATOM 1595 CB SER A 99 -8.847 -9.521 -9.408 1.00 0.00 C ATOM 1596 OG SER A 99 -10.253 -9.373 -9.301 1.00 0.00 O ATOM 0 H SER A 99 -7.953 -8.448 -7.377 1.00 0.00 H new ATOM 0 HA SER A 99 -9.086 -10.964 -7.846 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.375 -8.539 -9.434 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.601 -10.017 -10.347 1.00 0.00 H new ATOM 0 HG SER A 99 -10.586 -8.851 -10.061 1.00 0.00 H new ATOM 1602 N GLN A 100 -5.992 -10.566 -8.935 1.00 0.00 N ATOM 1603 CA GLN A 100 -4.796 -11.273 -9.363 1.00 0.00 C ATOM 1604 C GLN A 100 -4.258 -12.127 -8.222 1.00 0.00 C ATOM 1605 O GLN A 100 -3.880 -13.280 -8.421 1.00 0.00 O ATOM 1606 CB GLN A 100 -3.731 -10.276 -9.799 1.00 0.00 C ATOM 1607 CG GLN A 100 -4.034 -9.598 -11.125 1.00 0.00 C ATOM 1608 CD GLN A 100 -3.450 -8.202 -11.215 1.00 0.00 C ATOM 1609 OE1 GLN A 100 -4.173 -7.228 -11.421 1.00 0.00 O ATOM 1610 NE2 GLN A 100 -2.136 -8.101 -11.061 1.00 0.00 N ATOM 0 H GLN A 100 -5.871 -9.558 -8.834 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.051 -11.918 -10.204 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.623 -9.513 -9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.773 -10.791 -9.875 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.638 -10.206 -11.938 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.114 -9.545 -11.263 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.577 -8.937 -10.892 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.685 -7.187 -11.112 1.00 0.00 H new ATOM 1619 N MET A 101 -4.231 -11.536 -7.025 1.00 0.00 N ATOM 1620 CA MET A 101 -3.745 -12.220 -5.826 1.00 0.00 C ATOM 1621 C MET A 101 -4.147 -13.690 -5.823 1.00 0.00 C ATOM 1622 O MET A 101 -3.295 -14.578 -5.867 1.00 0.00 O ATOM 1623 CB MET A 101 -4.293 -11.530 -4.572 1.00 0.00 C ATOM 1624 CG MET A 101 -3.212 -10.995 -3.646 1.00 0.00 C ATOM 1625 SD MET A 101 -3.868 -9.894 -2.378 1.00 0.00 S ATOM 1626 CE MET A 101 -3.156 -8.332 -2.889 1.00 0.00 C ATOM 0 H MET A 101 -4.542 -10.579 -6.861 1.00 0.00 H new ATOM 0 HA MET A 101 -2.656 -12.166 -5.827 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.940 -10.706 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.914 -12.237 -4.021 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.702 -11.831 -3.168 1.00 0.00 H new ATOM 0 HG3 MET A 101 -2.466 -10.461 -4.235 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.366 -7.573 -2.136 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.078 -8.443 -3.001 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.591 -8.028 -3.841 1.00 0.00 H new ATOM 1636 N LYS A 102 -5.451 -13.940 -5.777 1.00 0.00 N ATOM 1637 CA LYS A 102 -5.962 -15.304 -5.774 1.00 0.00 C ATOM 1638 C LYS A 102 -7.486 -15.322 -5.775 1.00 0.00 C ATOM 1639 O LYS A 102 -8.102 -16.199 -5.168 1.00 0.00 O ATOM 1640 CB LYS A 102 -5.437 -16.065 -4.555 1.00 0.00 C ATOM 1641 CG LYS A 102 -5.552 -17.574 -4.684 1.00 0.00 C ATOM 1642 CD LYS A 102 -4.408 -18.283 -3.977 1.00 0.00 C ATOM 1643 CE LYS A 102 -4.777 -18.659 -2.549 1.00 0.00 C ATOM 1644 NZ LYS A 102 -4.780 -20.134 -2.347 1.00 0.00 N ATOM 0 H LYS A 102 -6.171 -13.218 -5.741 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.612 -15.793 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.392 -15.801 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.986 -15.741 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.502 -17.905 -4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.557 -17.851 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.138 -19.181 -4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.530 -17.638 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.070 -18.199 -1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.762 -18.258 -2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.036 -20.349 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.473 -20.571 -2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.833 -20.514 -2.549 1.00 0.00 H new