USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 968 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 21 ASN :FLIP amide:sc= -0.0952 F(o=0.21,f=1.9) USER MOD Set 1.2: B 27 LYS NZ :NH3+ -174:sc= 1.98 (180deg=1.92) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.015) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 4:sc= 0.305 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0184 F(o=-1.3!,f=-0.018) USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= -0.977 (180deg=-1.3) USER MOD Single : A 26 THR OG1 : rot 134:sc= 1.04 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1 (180deg=0.801) USER MOD Single : A 30 ASN : amide:sc= -2.43! C(o=-2.4!,f=-5.4!) USER MOD Single : A 33 SER OG : rot 149:sc= 0.772 USER MOD Single : A 35 ASN : amide:sc= -0.669 K(o=-0.67,f=-3.1!) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc=-0.00445 (180deg=-0.129) USER MOD Single : A 47 SER OG : rot -103:sc= 1.04 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -35:sc= 1.27 USER MOD Single : A 60 SER OG : rot 83:sc= 1.2 USER MOD Single : A 61 ASN : amide:sc= -0.0494 K(o=-0.049,f=-2.1!) USER MOD Single : A 65 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.1) USER MOD Single : A 66 THR OG1 : rot 62:sc= 1.25 USER MOD Single : A 67 MET CE :methyl 171:sc= -1.02 (180deg=-1.14) USER MOD Single : A 72 LYS NZ :NH3+ -119:sc= 1.21 (180deg=-0.657) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.067 F(o=-1.3!,f=-0.067) USER MOD Single : B 8 THR OG1 : rot 25:sc= 0.169 USER MOD Single : B 14 HIS : no HD1:sc= 0 X(o=0,f=-0.00059) USER MOD Single : B 17 THR OG1 : rot -78:sc= 1.3 USER MOD Single : B 19 SER OG : rot -10:sc= 0.987 USER MOD Single : B 23 LYS NZ :NH3+ -176:sc= 0.962 (180deg=0.823) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 ASN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : B 33 SER OG : rot -160:sc= -0.685 USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00744) USER MOD Single : B 58 THR OG1 : rot -40:sc= 1.29 USER MOD Single : B 60 SER OG : rot 85:sc= 1.24 USER MOD Single : B 61 ASN : amide:sc= -0.12 K(o=-0.12,f=-7.9!) USER MOD Single : B 65 GLN : amide:sc= -1.19 X(o=-1.2,f=-0.81) USER MOD Single : B 66 THR OG1 : rot 72:sc= 1.31 USER MOD Single : B 67 MET CE :methyl -132:sc= 0 (180deg=-2.19) USER MOD Single : B 72 LYS NZ :NH3+ -172:sc= 2.28 (180deg=2.03) USER MOD Single : B 74 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 126 N THR A 8 12.101 8.405 -16.588 1.00 0.00 N ATOM 127 CA THR A 8 13.069 7.494 -16.011 1.00 0.00 C ATOM 128 C THR A 8 12.740 7.263 -14.538 1.00 0.00 C ATOM 129 O THR A 8 12.357 8.195 -13.822 1.00 0.00 O ATOM 130 CB THR A 8 14.515 8.027 -16.170 1.00 0.00 C ATOM 131 OG1 THR A 8 15.460 7.094 -15.625 1.00 0.00 O ATOM 132 CG2 THR A 8 14.687 9.378 -15.488 1.00 0.00 C ATOM 0 HA THR A 8 13.011 6.546 -16.546 1.00 0.00 H new ATOM 0 HB THR A 8 14.701 8.150 -17.237 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.368 7.446 -15.735 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.713 9.723 -15.618 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.002 10.100 -15.932 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.470 9.279 -14.424 1.00 0.00 H new ATOM 140 N PHE A 9 12.865 6.021 -14.096 1.00 0.00 N ATOM 141 CA PHE A 9 12.502 5.657 -12.738 1.00 0.00 C ATOM 142 C PHE A 9 13.742 5.265 -11.956 1.00 0.00 C ATOM 143 O PHE A 9 14.536 4.442 -12.415 1.00 0.00 O ATOM 144 CB PHE A 9 11.512 4.490 -12.750 1.00 0.00 C ATOM 145 CG PHE A 9 10.320 4.709 -13.639 1.00 0.00 C ATOM 146 CD1 PHE A 9 9.240 5.459 -13.205 1.00 0.00 C ATOM 147 CD2 PHE A 9 10.282 4.162 -14.912 1.00 0.00 C ATOM 148 CE1 PHE A 9 8.144 5.661 -14.022 1.00 0.00 C ATOM 149 CE2 PHE A 9 9.189 4.361 -15.732 1.00 0.00 C ATOM 150 CZ PHE A 9 8.119 5.111 -15.288 1.00 0.00 C ATOM 0 H PHE A 9 13.216 5.248 -14.661 1.00 0.00 H new ATOM 0 HA PHE A 9 12.033 6.517 -12.260 1.00 0.00 H new ATOM 0 HB2 PHE A 9 12.033 3.589 -13.073 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.165 4.310 -11.732 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.254 5.892 -12.216 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.116 3.574 -15.266 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.308 6.248 -13.671 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.171 3.929 -16.722 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.264 5.267 -15.929 1.00 0.00 H new ATOM 160 N GLU A 10 13.920 5.851 -10.786 1.00 0.00 N ATOM 161 CA GLU A 10 15.056 5.512 -9.948 1.00 0.00 C ATOM 162 C GLU A 10 14.598 5.161 -8.541 1.00 0.00 C ATOM 163 O GLU A 10 13.802 5.884 -7.935 1.00 0.00 O ATOM 164 CB GLU A 10 16.065 6.661 -9.922 1.00 0.00 C ATOM 165 CG GLU A 10 17.359 6.310 -9.210 1.00 0.00 C ATOM 166 CD GLU A 10 18.511 7.185 -9.649 1.00 0.00 C ATOM 167 OE1 GLU A 10 18.973 7.022 -10.802 1.00 0.00 O ATOM 168 OE2 GLU A 10 18.972 8.026 -8.848 1.00 0.00 O ATOM 0 H GLU A 10 13.298 6.559 -10.396 1.00 0.00 H new ATOM 0 HA GLU A 10 15.548 4.637 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.291 6.959 -10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.611 7.522 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.218 6.412 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.605 5.266 -9.402 1.00 0.00 H new ATOM 175 N ILE A 11 15.087 4.033 -8.039 1.00 0.00 N ATOM 176 CA ILE A 11 14.764 3.586 -6.695 1.00 0.00 C ATOM 177 C ILE A 11 15.720 4.222 -5.695 1.00 0.00 C ATOM 178 O ILE A 11 16.922 3.951 -5.710 1.00 0.00 O ATOM 179 CB ILE A 11 14.838 2.050 -6.575 1.00 0.00 C ATOM 180 CG1 ILE A 11 13.882 1.398 -7.578 1.00 0.00 C ATOM 181 CG2 ILE A 11 14.511 1.610 -5.154 1.00 0.00 C ATOM 182 CD1 ILE A 11 13.947 -0.114 -7.591 1.00 0.00 C ATOM 0 H ILE A 11 15.713 3.409 -8.549 1.00 0.00 H new ATOM 0 HA ILE A 11 13.741 3.894 -6.478 1.00 0.00 H new ATOM 0 HB ILE A 11 15.854 1.728 -6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.862 1.706 -7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 11 14.109 1.771 -8.577 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.568 0.524 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.227 2.054 -4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.504 1.937 -4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.242 -0.502 -8.326 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.956 -0.433 -7.853 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.690 -0.498 -6.604 1.00 0.00 H new ATOM 194 N GLU A 12 15.182 5.069 -4.836 1.00 0.00 N ATOM 195 CA GLU A 12 15.994 5.799 -3.875 1.00 0.00 C ATOM 196 C GLU A 12 16.253 4.966 -2.628 1.00 0.00 C ATOM 197 O GLU A 12 17.319 4.374 -2.468 1.00 0.00 O ATOM 198 CB GLU A 12 15.296 7.095 -3.472 1.00 0.00 C ATOM 199 CG GLU A 12 14.922 7.983 -4.645 1.00 0.00 C ATOM 200 CD GLU A 12 16.127 8.461 -5.426 1.00 0.00 C ATOM 201 OE1 GLU A 12 17.183 8.709 -4.809 1.00 0.00 O ATOM 202 OE2 GLU A 12 16.010 8.620 -6.655 1.00 0.00 O ATOM 0 H GLU A 12 14.183 5.270 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 12 16.948 6.025 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.394 6.851 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.948 7.653 -2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.256 7.435 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.366 8.846 -4.279 1.00 0.00 H new ATOM 209 N GLU A 13 15.256 4.899 -1.765 1.00 0.00 N ATOM 210 CA GLU A 13 15.418 4.298 -0.455 1.00 0.00 C ATOM 211 C GLU A 13 14.336 3.247 -0.232 1.00 0.00 C ATOM 212 O GLU A 13 13.160 3.487 -0.518 1.00 0.00 O ATOM 213 CB GLU A 13 15.331 5.401 0.611 1.00 0.00 C ATOM 214 CG GLU A 13 16.132 5.130 1.879 1.00 0.00 C ATOM 215 CD GLU A 13 15.580 3.992 2.708 1.00 0.00 C ATOM 216 OE1 GLU A 13 14.505 4.161 3.316 1.00 0.00 O ATOM 217 OE2 GLU A 13 16.228 2.926 2.759 1.00 0.00 O ATOM 0 H GLU A 13 14.319 5.256 -1.950 1.00 0.00 H new ATOM 0 HA GLU A 13 16.389 3.808 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.676 6.338 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.285 5.543 0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.163 4.904 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 13 16.153 6.035 2.486 1.00 0.00 H new ATOM 224 N HIS A 14 14.737 2.077 0.245 1.00 0.00 N ATOM 225 CA HIS A 14 13.786 1.035 0.593 1.00 0.00 C ATOM 226 C HIS A 14 13.207 1.298 1.972 1.00 0.00 C ATOM 227 O HIS A 14 13.781 0.887 2.985 1.00 0.00 O ATOM 228 CB HIS A 14 14.435 -0.353 0.562 1.00 0.00 C ATOM 229 CG HIS A 14 14.746 -0.855 -0.814 1.00 0.00 C ATOM 230 ND1 HIS A 14 15.977 -1.347 -1.172 1.00 0.00 N ATOM 231 CD2 HIS A 14 13.963 -0.974 -1.912 1.00 0.00 C ATOM 232 CE1 HIS A 14 15.943 -1.749 -2.428 1.00 0.00 C ATOM 233 NE2 HIS A 14 14.730 -1.536 -2.902 1.00 0.00 N ATOM 0 H HIS A 14 15.714 1.827 0.399 1.00 0.00 H new ATOM 0 HA HIS A 14 12.988 1.053 -0.149 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.357 -0.324 1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.771 -1.063 1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 14 12.927 -0.681 -1.994 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.768 -2.180 -2.976 1.00 0.00 H new ATOM 0 HE2 HIS A 14 14.415 -1.753 -3.847 1.00 0.00 H new ATOM 242 N LEU A 15 12.085 2.009 2.001 1.00 0.00 N ATOM 243 CA LEU A 15 11.381 2.297 3.246 1.00 0.00 C ATOM 244 C LEU A 15 11.133 1.017 4.025 1.00 0.00 C ATOM 245 O LEU A 15 11.411 0.944 5.220 1.00 0.00 O ATOM 246 CB LEU A 15 10.044 2.981 2.951 1.00 0.00 C ATOM 247 CG LEU A 15 10.141 4.407 2.409 1.00 0.00 C ATOM 248 CD1 LEU A 15 8.790 4.875 1.898 1.00 0.00 C ATOM 249 CD2 LEU A 15 10.648 5.349 3.489 1.00 0.00 C ATOM 0 H LEU A 15 11.641 2.399 1.170 1.00 0.00 H new ATOM 0 HA LEU A 15 12.003 2.963 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.496 2.374 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.454 2.998 3.868 1.00 0.00 H new ATOM 0 HG LEU A 15 10.847 4.413 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.878 5.892 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.455 4.215 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.066 4.855 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.712 6.361 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.961 5.336 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.635 5.026 3.819 1.00 0.00 H new ATOM 261 N LEU A 16 10.625 0.009 3.329 1.00 0.00 N ATOM 262 CA LEU A 16 10.331 -1.273 3.943 1.00 0.00 C ATOM 263 C LEU A 16 10.556 -2.415 2.971 1.00 0.00 C ATOM 264 O LEU A 16 10.164 -2.341 1.810 1.00 0.00 O ATOM 265 CB LEU A 16 8.882 -1.326 4.428 1.00 0.00 C ATOM 266 CG LEU A 16 8.576 -0.507 5.678 1.00 0.00 C ATOM 267 CD1 LEU A 16 7.112 -0.652 6.047 1.00 0.00 C ATOM 268 CD2 LEU A 16 9.463 -0.954 6.824 1.00 0.00 C ATOM 0 H LEU A 16 10.408 0.058 2.334 1.00 0.00 H new ATOM 0 HA LEU A 16 11.008 -1.381 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.235 -0.981 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.621 -2.366 4.624 1.00 0.00 H new ATOM 0 HG LEU A 16 8.780 0.544 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.902 -0.064 6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.492 -0.295 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.888 -1.701 6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.236 -0.363 7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.282 -2.008 7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.509 -0.813 6.551 1.00 0.00 H new ATOM 280 N THR A 17 11.192 -3.461 3.449 1.00 0.00 N ATOM 281 CA THR A 17 11.255 -4.711 2.717 1.00 0.00 C ATOM 282 C THR A 17 10.319 -5.704 3.398 1.00 0.00 C ATOM 283 O THR A 17 10.667 -6.309 4.414 1.00 0.00 O ATOM 284 CB THR A 17 12.692 -5.272 2.652 1.00 0.00 C ATOM 285 OG1 THR A 17 13.572 -4.287 2.088 1.00 0.00 O ATOM 286 CG2 THR A 17 12.748 -6.537 1.806 1.00 0.00 C ATOM 0 H THR A 17 11.676 -3.473 4.347 1.00 0.00 H new ATOM 0 HA THR A 17 10.945 -4.538 1.686 1.00 0.00 H new ATOM 0 HB THR A 17 13.007 -5.517 3.666 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.483 -4.646 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.772 -6.911 1.777 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.097 -7.295 2.242 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.415 -6.312 0.793 1.00 0.00 H new ATOM 294 N LEU A 18 9.115 -5.829 2.856 1.00 0.00 N ATOM 295 CA LEU A 18 8.053 -6.565 3.524 1.00 0.00 C ATOM 296 C LEU A 18 8.306 -8.066 3.508 1.00 0.00 C ATOM 297 O LEU A 18 8.806 -8.621 4.488 1.00 0.00 O ATOM 298 CB LEU A 18 6.695 -6.239 2.897 1.00 0.00 C ATOM 299 CG LEU A 18 6.270 -4.770 2.992 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.918 -4.558 2.332 1.00 0.00 C ATOM 301 CD2 LEU A 18 6.223 -4.324 4.445 1.00 0.00 C ATOM 0 H LEU A 18 8.850 -5.430 1.955 1.00 0.00 H new ATOM 0 HA LEU A 18 8.042 -6.248 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.719 -6.527 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.934 -6.853 3.378 1.00 0.00 H new ATOM 0 HG LEU A 18 7.009 -4.166 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.635 -3.508 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.978 -4.840 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.169 -5.174 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.919 -3.278 4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.505 -4.937 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.211 -4.437 4.892 1.00 0.00 H new ATOM 313 N SER A 19 7.989 -8.721 2.398 1.00 0.00 N ATOM 314 CA SER A 19 8.053 -10.181 2.346 1.00 0.00 C ATOM 315 C SER A 19 8.145 -10.689 0.914 1.00 0.00 C ATOM 316 O SER A 19 8.064 -9.916 -0.045 1.00 0.00 O ATOM 317 CB SER A 19 6.817 -10.794 3.027 1.00 0.00 C ATOM 318 OG SER A 19 6.807 -10.546 4.426 1.00 0.00 O ATOM 0 H SER A 19 7.689 -8.275 1.531 1.00 0.00 H new ATOM 0 HA SER A 19 8.955 -10.486 2.876 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.913 -10.382 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.800 -11.869 2.848 1.00 0.00 H new ATOM 0 HG SER A 19 7.569 -9.977 4.663 1.00 0.00 H new ATOM 324 N GLU A 20 8.344 -11.994 0.785 1.00 0.00 N ATOM 325 CA GLU A 20 8.299 -12.659 -0.503 1.00 0.00 C ATOM 326 C GLU A 20 7.116 -13.621 -0.535 1.00 0.00 C ATOM 327 O GLU A 20 6.786 -14.255 0.472 1.00 0.00 O ATOM 328 CB GLU A 20 9.604 -13.416 -0.791 1.00 0.00 C ATOM 329 CG GLU A 20 9.856 -14.620 0.111 1.00 0.00 C ATOM 330 CD GLU A 20 10.267 -14.241 1.520 1.00 0.00 C ATOM 331 OE1 GLU A 20 9.381 -13.943 2.347 1.00 0.00 O ATOM 332 OE2 GLU A 20 11.481 -14.246 1.809 1.00 0.00 O ATOM 0 H GLU A 20 8.540 -12.616 1.569 1.00 0.00 H new ATOM 0 HA GLU A 20 8.179 -11.901 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.591 -13.752 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.439 -12.723 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.952 -15.227 0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.635 -15.240 -0.332 1.00 0.00 H new ATOM 339 N ASN A 21 6.469 -13.716 -1.679 1.00 0.00 N ATOM 340 CA ASN A 21 5.313 -14.582 -1.834 1.00 0.00 C ATOM 341 C ASN A 21 5.731 -15.927 -2.399 1.00 0.00 C ATOM 342 O ASN A 21 6.812 -16.050 -2.979 1.00 0.00 O ATOM 343 CB ASN A 21 4.250 -13.930 -2.726 1.00 0.00 C ATOM 344 CG ASN A 21 3.449 -12.866 -1.996 1.00 0.00 C ATOM 345 OD1 ASN A 21 4.076 -12.190 -1.043 1.00 0.00 O flip ATOM 346 ND2 ASN A 21 2.271 -12.656 -2.290 1.00 0.00 N flip ATOM 0 H ASN A 21 6.725 -13.201 -2.522 1.00 0.00 H new ATOM 0 HA ASN A 21 4.874 -14.739 -0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.734 -13.483 -3.595 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.572 -14.698 -3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.826 -13.199 -3.030 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.741 -11.940 -1.793 1.00 0.00 H new ATOM 353 N GLU A 22 4.847 -16.907 -2.247 1.00 0.00 N ATOM 354 CA GLU A 22 5.127 -18.311 -2.556 1.00 0.00 C ATOM 355 C GLU A 22 5.694 -18.515 -3.964 1.00 0.00 C ATOM 356 O GLU A 22 6.529 -19.395 -4.175 1.00 0.00 O ATOM 357 CB GLU A 22 3.858 -19.163 -2.372 1.00 0.00 C ATOM 358 CG GLU A 22 2.737 -18.879 -3.373 1.00 0.00 C ATOM 359 CD GLU A 22 2.193 -17.465 -3.286 1.00 0.00 C ATOM 360 OE1 GLU A 22 1.280 -17.224 -2.470 1.00 0.00 O ATOM 361 OE2 GLU A 22 2.687 -16.588 -4.024 1.00 0.00 O ATOM 0 H GLU A 22 3.901 -16.750 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 22 5.896 -18.635 -1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.132 -20.216 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.474 -19.003 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.108 -19.056 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.923 -19.584 -3.205 1.00 0.00 H new ATOM 368 N LYS A 23 5.257 -17.706 -4.920 1.00 0.00 N ATOM 369 CA LYS A 23 5.721 -17.846 -6.298 1.00 0.00 C ATOM 370 C LYS A 23 7.115 -17.249 -6.484 1.00 0.00 C ATOM 371 O LYS A 23 7.640 -17.219 -7.596 1.00 0.00 O ATOM 372 CB LYS A 23 4.748 -17.175 -7.270 1.00 0.00 C ATOM 373 CG LYS A 23 3.322 -17.683 -7.167 1.00 0.00 C ATOM 374 CD LYS A 23 2.458 -17.159 -8.304 1.00 0.00 C ATOM 375 CE LYS A 23 2.469 -18.094 -9.510 1.00 0.00 C ATOM 376 NZ LYS A 23 3.834 -18.320 -10.058 1.00 0.00 N ATOM 0 H LYS A 23 4.587 -16.951 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 23 5.768 -18.914 -6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.754 -16.100 -7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.105 -17.329 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.321 -18.773 -7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.894 -17.376 -6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.434 -17.033 -7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.815 -16.174 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.035 -19.052 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.834 -17.677 -10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.769 -18.878 -10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.281 -17.404 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.407 -18.836 -9.360 1.00 0.00 H new ATOM 390 N GLY A 24 7.707 -16.774 -5.397 1.00 0.00 N ATOM 391 CA GLY A 24 9.000 -16.128 -5.480 1.00 0.00 C ATOM 392 C GLY A 24 8.862 -14.669 -5.846 1.00 0.00 C ATOM 393 O GLY A 24 9.721 -14.102 -6.517 1.00 0.00 O ATOM 0 H GLY A 24 7.313 -16.825 -4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.516 -16.218 -4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.615 -16.635 -6.223 1.00 0.00 H new ATOM 397 N TRP A 25 7.768 -14.066 -5.401 1.00 0.00 N ATOM 398 CA TRP A 25 7.472 -12.673 -5.726 1.00 0.00 C ATOM 399 C TRP A 25 7.877 -11.767 -4.578 1.00 0.00 C ATOM 400 O TRP A 25 7.693 -12.113 -3.419 1.00 0.00 O ATOM 401 CB TRP A 25 5.983 -12.498 -6.025 1.00 0.00 C ATOM 402 CG TRP A 25 5.559 -13.025 -7.363 1.00 0.00 C ATOM 403 CD1 TRP A 25 6.204 -13.953 -8.130 1.00 0.00 C ATOM 404 CD2 TRP A 25 4.387 -12.650 -8.089 1.00 0.00 C ATOM 405 NE1 TRP A 25 5.506 -14.173 -9.290 1.00 0.00 N ATOM 406 CE2 TRP A 25 4.384 -13.385 -9.289 1.00 0.00 C ATOM 407 CE3 TRP A 25 3.337 -11.761 -7.838 1.00 0.00 C ATOM 408 CZ2 TRP A 25 3.373 -13.257 -10.237 1.00 0.00 C ATOM 409 CZ3 TRP A 25 2.334 -11.634 -8.779 1.00 0.00 C ATOM 410 CH2 TRP A 25 2.358 -12.379 -9.967 1.00 0.00 C ATOM 0 H TRP A 25 7.068 -14.519 -4.813 1.00 0.00 H new ATOM 0 HA TRP A 25 8.043 -12.399 -6.613 1.00 0.00 H new ATOM 0 HB2 TRP A 25 5.406 -13.002 -5.249 1.00 0.00 H new ATOM 0 HB3 TRP A 25 5.735 -11.438 -5.969 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.129 -14.442 -7.862 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.777 -14.818 -10.032 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.311 -11.184 -6.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 3.389 -13.830 -11.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.518 -10.950 -8.597 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.559 -12.258 -10.684 1.00 0.00 H new ATOM 421 N THR A 26 8.414 -10.606 -4.895 1.00 0.00 N ATOM 422 CA THR A 26 8.901 -9.700 -3.871 1.00 0.00 C ATOM 423 C THR A 26 7.966 -8.513 -3.685 1.00 0.00 C ATOM 424 O THR A 26 7.453 -7.955 -4.656 1.00 0.00 O ATOM 425 CB THR A 26 10.310 -9.201 -4.229 1.00 0.00 C ATOM 426 OG1 THR A 26 10.375 -8.900 -5.629 1.00 0.00 O ATOM 427 CG2 THR A 26 11.360 -10.245 -3.877 1.00 0.00 C ATOM 0 H THR A 26 8.525 -10.267 -5.851 1.00 0.00 H new ATOM 0 HA THR A 26 8.939 -10.252 -2.932 1.00 0.00 H new ATOM 0 HB THR A 26 10.514 -8.299 -3.652 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.808 -8.030 -5.757 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.349 -9.869 -4.139 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.323 -10.452 -2.808 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.161 -11.162 -4.432 1.00 0.00 H new ATOM 435 N LYS A 27 7.741 -8.137 -2.432 1.00 0.00 N ATOM 436 CA LYS A 27 6.919 -6.979 -2.118 1.00 0.00 C ATOM 437 C LYS A 27 7.655 -6.063 -1.153 1.00 0.00 C ATOM 438 O LYS A 27 7.989 -6.477 -0.029 1.00 0.00 O ATOM 439 CB LYS A 27 5.590 -7.401 -1.487 1.00 0.00 C ATOM 440 CG LYS A 27 4.583 -6.261 -1.393 1.00 0.00 C ATOM 441 CD LYS A 27 3.493 -6.537 -0.369 1.00 0.00 C ATOM 442 CE LYS A 27 2.835 -7.887 -0.591 1.00 0.00 C ATOM 443 NZ LYS A 27 2.116 -7.969 -1.888 1.00 0.00 N ATOM 0 H LYS A 27 8.118 -8.620 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 27 6.716 -6.452 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.158 -8.212 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.778 -7.795 -0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.103 -5.341 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.128 -6.100 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.920 -6.502 0.633 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.738 -5.752 -0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.595 -8.668 -0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.135 -8.083 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.802 -8.947 -2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.289 -7.339 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.753 -7.678 -2.657 1.00 0.00 H new ATOM 457 N GLU A 28 7.911 -4.834 -1.586 1.00 0.00 N ATOM 458 CA GLU A 28 8.578 -3.858 -0.742 1.00 0.00 C ATOM 459 C GLU A 28 7.899 -2.494 -0.849 1.00 0.00 C ATOM 460 O GLU A 28 7.042 -2.269 -1.706 1.00 0.00 O ATOM 461 CB GLU A 28 10.066 -3.730 -1.113 1.00 0.00 C ATOM 462 CG GLU A 28 10.343 -2.848 -2.327 1.00 0.00 C ATOM 463 CD GLU A 28 10.151 -3.549 -3.658 1.00 0.00 C ATOM 464 OE1 GLU A 28 8.998 -3.798 -4.052 1.00 0.00 O ATOM 465 OE2 GLU A 28 11.168 -3.815 -4.340 1.00 0.00 O ATOM 0 H GLU A 28 7.666 -4.493 -2.516 1.00 0.00 H new ATOM 0 HA GLU A 28 8.505 -4.209 0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.607 -3.328 -0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.466 -4.726 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.687 -1.979 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.366 -2.478 -2.268 1.00 0.00 H new ATOM 472 N ILE A 29 8.279 -1.597 0.040 1.00 0.00 N ATOM 473 CA ILE A 29 7.832 -0.218 -0.003 1.00 0.00 C ATOM 474 C ILE A 29 9.052 0.669 -0.195 1.00 0.00 C ATOM 475 O ILE A 29 9.999 0.598 0.589 1.00 0.00 O ATOM 476 CB ILE A 29 7.084 0.173 1.291 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.859 -0.731 1.482 1.00 0.00 C ATOM 478 CG2 ILE A 29 6.674 1.639 1.250 1.00 0.00 C ATOM 479 CD1 ILE A 29 5.088 -0.463 2.756 1.00 0.00 C ATOM 0 H ILE A 29 8.909 -1.805 0.815 1.00 0.00 H new ATOM 0 HA ILE A 29 7.133 -0.090 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 29 7.753 0.035 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.190 -0.603 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.184 -1.771 1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.148 1.896 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.563 2.263 1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.017 1.809 0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.238 -1.143 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.740 -0.620 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.730 0.567 2.755 1.00 0.00 H new ATOM 491 N ASN A 30 9.048 1.494 -1.232 1.00 0.00 N ATOM 492 CA ASN A 30 10.258 2.222 -1.602 1.00 0.00 C ATOM 493 C ASN A 30 9.954 3.598 -2.176 1.00 0.00 C ATOM 494 O ASN A 30 8.797 3.957 -2.397 1.00 0.00 O ATOM 495 CB ASN A 30 11.092 1.409 -2.610 1.00 0.00 C ATOM 496 CG ASN A 30 10.497 1.340 -4.017 1.00 0.00 C ATOM 497 OD1 ASN A 30 11.232 1.271 -5.003 1.00 0.00 O ATOM 498 ND2 ASN A 30 9.176 1.331 -4.129 1.00 0.00 N ATOM 0 H ASN A 30 8.238 1.676 -1.824 1.00 0.00 H new ATOM 0 HA ASN A 30 10.831 2.366 -0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.089 1.845 -2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.211 0.395 -2.229 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.743 1.266 -5.050 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.593 1.389 -3.294 1.00 0.00 H new ATOM 505 N ARG A 31 11.013 4.368 -2.381 1.00 0.00 N ATOM 506 CA ARG A 31 10.917 5.668 -3.024 1.00 0.00 C ATOM 507 C ARG A 31 11.269 5.555 -4.498 1.00 0.00 C ATOM 508 O ARG A 31 12.301 4.980 -4.851 1.00 0.00 O ATOM 509 CB ARG A 31 11.873 6.667 -2.375 1.00 0.00 C ATOM 510 CG ARG A 31 11.356 7.322 -1.108 1.00 0.00 C ATOM 511 CD ARG A 31 12.411 8.253 -0.538 1.00 0.00 C ATOM 512 NE ARG A 31 11.896 9.110 0.523 1.00 0.00 N ATOM 513 CZ ARG A 31 12.485 9.251 1.706 1.00 0.00 C ATOM 514 NH1 ARG A 31 13.567 8.538 1.998 1.00 0.00 N ATOM 515 NH2 ARG A 31 11.998 10.114 2.584 1.00 0.00 N ATOM 0 H ARG A 31 11.961 4.109 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 31 9.891 6.018 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.808 6.155 -2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 31 12.106 7.447 -3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.445 7.880 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 31 11.097 6.559 -0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 31 13.240 7.661 -0.150 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.811 8.875 -1.339 1.00 0.00 H new ATOM 0 HE ARG A 31 11.036 9.630 0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.946 7.882 1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.019 8.646 2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.174 10.668 2.351 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.447 10.225 3.493 1.00 0.00 H new ATOM 529 N VAL A 32 10.420 6.105 -5.348 1.00 0.00 N ATOM 530 CA VAL A 32 10.686 6.135 -6.778 1.00 0.00 C ATOM 531 C VAL A 32 10.675 7.574 -7.279 1.00 0.00 C ATOM 532 O VAL A 32 9.684 8.288 -7.128 1.00 0.00 O ATOM 533 CB VAL A 32 9.653 5.303 -7.573 1.00 0.00 C ATOM 534 CG1 VAL A 32 9.997 5.296 -9.056 1.00 0.00 C ATOM 535 CG2 VAL A 32 9.574 3.879 -7.041 1.00 0.00 C ATOM 0 H VAL A 32 9.538 6.538 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 32 11.669 5.693 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 32 8.676 5.769 -7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.258 4.705 -9.598 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.994 6.318 -9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.986 4.860 -9.198 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.840 3.315 -7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.550 3.402 -7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.275 3.898 -5.993 1.00 0.00 H new ATOM 545 N SER A 33 11.789 8.011 -7.844 1.00 0.00 N ATOM 546 CA SER A 33 11.877 9.349 -8.404 1.00 0.00 C ATOM 547 C SER A 33 11.573 9.309 -9.899 1.00 0.00 C ATOM 548 O SER A 33 12.184 8.541 -10.644 1.00 0.00 O ATOM 549 CB SER A 33 13.266 9.936 -8.157 1.00 0.00 C ATOM 550 OG SER A 33 13.628 9.828 -6.794 1.00 0.00 O ATOM 0 H SER A 33 12.643 7.460 -7.927 1.00 0.00 H new ATOM 0 HA SER A 33 11.141 9.987 -7.914 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.999 9.416 -8.774 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.281 10.983 -8.459 1.00 0.00 H new ATOM 0 HG SER A 33 14.600 9.723 -6.721 1.00 0.00 H new ATOM 556 N PHE A 34 10.615 10.121 -10.328 1.00 0.00 N ATOM 557 CA PHE A 34 10.210 10.157 -11.729 1.00 0.00 C ATOM 558 C PHE A 34 10.881 11.325 -12.436 1.00 0.00 C ATOM 559 O PHE A 34 10.366 12.448 -12.410 1.00 0.00 O ATOM 560 CB PHE A 34 8.689 10.284 -11.841 1.00 0.00 C ATOM 561 CG PHE A 34 7.943 9.315 -10.970 1.00 0.00 C ATOM 562 CD1 PHE A 34 7.871 7.974 -11.305 1.00 0.00 C ATOM 563 CD2 PHE A 34 7.312 9.747 -9.815 1.00 0.00 C ATOM 564 CE1 PHE A 34 7.186 7.081 -10.502 1.00 0.00 C ATOM 565 CE2 PHE A 34 6.626 8.862 -9.011 1.00 0.00 C ATOM 566 CZ PHE A 34 6.562 7.526 -9.354 1.00 0.00 C ATOM 0 H PHE A 34 10.103 10.765 -9.725 1.00 0.00 H new ATOM 0 HA PHE A 34 10.520 9.227 -12.205 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.396 11.300 -11.575 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.395 10.129 -12.879 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.355 7.621 -12.204 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.358 10.791 -9.541 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.139 6.037 -10.773 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.139 9.213 -8.113 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.025 6.831 -8.726 1.00 0.00 H new ATOM 576 N ASN A 35 12.032 11.043 -13.053 1.00 0.00 N ATOM 577 CA ASN A 35 12.885 12.063 -13.679 1.00 0.00 C ATOM 578 C ASN A 35 13.481 12.990 -12.624 1.00 0.00 C ATOM 579 O ASN A 35 14.695 13.028 -12.431 1.00 0.00 O ATOM 580 CB ASN A 35 12.134 12.882 -14.743 1.00 0.00 C ATOM 581 CG ASN A 35 11.719 12.052 -15.945 1.00 0.00 C ATOM 582 OD1 ASN A 35 11.345 10.893 -15.812 1.00 0.00 O ATOM 583 ND2 ASN A 35 11.808 12.631 -17.133 1.00 0.00 N ATOM 0 H ASN A 35 12.402 10.096 -13.134 1.00 0.00 H new ATOM 0 HA ASN A 35 13.691 11.533 -14.186 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.247 13.327 -14.292 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.769 13.703 -15.077 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.561 12.110 -17.974 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.123 13.598 -17.207 1.00 0.00 H new ATOM 590 N GLY A 36 12.620 13.735 -11.955 1.00 0.00 N ATOM 591 CA GLY A 36 13.040 14.557 -10.845 1.00 0.00 C ATOM 592 C GLY A 36 12.287 14.181 -9.589 1.00 0.00 C ATOM 593 O GLY A 36 12.266 13.006 -9.211 1.00 0.00 O ATOM 0 H GLY A 36 11.623 13.785 -12.165 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.111 14.438 -10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.868 15.608 -11.078 1.00 0.00 H new ATOM 597 N ALA A 37 11.659 15.176 -8.961 1.00 0.00 N ATOM 598 CA ALA A 37 10.818 14.969 -7.778 1.00 0.00 C ATOM 599 C ALA A 37 11.643 14.572 -6.549 1.00 0.00 C ATOM 600 O ALA A 37 12.699 13.943 -6.664 1.00 0.00 O ATOM 601 CB ALA A 37 9.730 13.933 -8.055 1.00 0.00 C ATOM 0 H ALA A 37 11.718 16.150 -9.258 1.00 0.00 H new ATOM 0 HA ALA A 37 10.339 15.922 -7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.120 13.798 -7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.100 14.277 -8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.192 12.984 -8.326 1.00 0.00 H new ATOM 607 N PRO A 38 11.169 14.936 -5.347 1.00 0.00 N ATOM 608 CA PRO A 38 11.847 14.622 -4.085 1.00 0.00 C ATOM 609 C PRO A 38 11.631 13.171 -3.648 1.00 0.00 C ATOM 610 O PRO A 38 11.488 12.895 -2.457 1.00 0.00 O ATOM 611 CB PRO A 38 11.192 15.580 -3.071 1.00 0.00 C ATOM 612 CG PRO A 38 10.275 16.460 -3.859 1.00 0.00 C ATOM 613 CD PRO A 38 9.944 15.705 -5.111 1.00 0.00 C ATOM 0 HA PRO A 38 12.927 14.740 -4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.641 15.025 -2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.946 16.171 -2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.372 16.688 -3.292 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.754 17.411 -4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.077 15.058 -4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.718 16.374 -5.941 1.00 0.00 H new ATOM 621 N ALA A 39 11.636 12.257 -4.622 1.00 0.00 N ATOM 622 CA ALA A 39 11.429 10.828 -4.378 1.00 0.00 C ATOM 623 C ALA A 39 10.022 10.545 -3.859 1.00 0.00 C ATOM 624 O ALA A 39 9.700 10.812 -2.699 1.00 0.00 O ATOM 625 CB ALA A 39 12.485 10.281 -3.429 1.00 0.00 C ATOM 0 H ALA A 39 11.784 12.488 -5.604 1.00 0.00 H new ATOM 0 HA ALA A 39 11.533 10.312 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.310 9.218 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.474 10.422 -3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.429 10.810 -2.478 1.00 0.00 H new ATOM 631 N LYS A 40 9.189 9.985 -4.724 1.00 0.00 N ATOM 632 CA LYS A 40 7.792 9.743 -4.398 1.00 0.00 C ATOM 633 C LYS A 40 7.640 8.380 -3.723 1.00 0.00 C ATOM 634 O LYS A 40 8.475 7.494 -3.903 1.00 0.00 O ATOM 635 CB LYS A 40 6.947 9.813 -5.675 1.00 0.00 C ATOM 636 CG LYS A 40 5.478 10.130 -5.444 1.00 0.00 C ATOM 637 CD LYS A 40 5.300 11.488 -4.786 1.00 0.00 C ATOM 638 CE LYS A 40 3.847 11.935 -4.807 1.00 0.00 C ATOM 639 NZ LYS A 40 3.397 12.310 -6.173 1.00 0.00 N ATOM 0 H LYS A 40 9.459 9.688 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 40 7.443 10.508 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.370 10.571 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.022 8.859 -6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.947 10.113 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.032 9.359 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.652 11.442 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.916 12.226 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.216 11.132 -4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.720 12.786 -4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.488 12.811 -6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.106 12.930 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.282 11.451 -6.749 1.00 0.00 H new ATOM 653 N PHE A 41 6.580 8.221 -2.942 1.00 0.00 N ATOM 654 CA PHE A 41 6.361 6.987 -2.197 1.00 0.00 C ATOM 655 C PHE A 41 5.590 5.980 -3.047 1.00 0.00 C ATOM 656 O PHE A 41 4.521 6.294 -3.569 1.00 0.00 O ATOM 657 CB PHE A 41 5.591 7.274 -0.906 1.00 0.00 C ATOM 658 CG PHE A 41 6.234 8.313 -0.031 1.00 0.00 C ATOM 659 CD1 PHE A 41 7.387 8.023 0.680 1.00 0.00 C ATOM 660 CD2 PHE A 41 5.677 9.576 0.088 1.00 0.00 C ATOM 661 CE1 PHE A 41 7.977 8.974 1.490 1.00 0.00 C ATOM 662 CE2 PHE A 41 6.262 10.533 0.896 1.00 0.00 C ATOM 663 CZ PHE A 41 7.413 10.230 1.598 1.00 0.00 C ATOM 0 H PHE A 41 5.859 8.930 -2.807 1.00 0.00 H new ATOM 0 HA PHE A 41 7.333 6.563 -1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.583 7.601 -1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.492 6.348 -0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.830 7.041 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.776 9.816 -0.457 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.877 8.736 2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.820 11.515 0.978 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.871 10.975 2.231 1.00 0.00 H new ATOM 673 N ASP A 42 6.131 4.777 -3.183 1.00 0.00 N ATOM 674 CA ASP A 42 5.495 3.745 -3.995 1.00 0.00 C ATOM 675 C ASP A 42 5.558 2.392 -3.291 1.00 0.00 C ATOM 676 O ASP A 42 6.620 1.966 -2.824 1.00 0.00 O ATOM 677 CB ASP A 42 6.181 3.660 -5.365 1.00 0.00 C ATOM 678 CG ASP A 42 5.451 2.763 -6.351 1.00 0.00 C ATOM 679 OD1 ASP A 42 5.743 1.548 -6.394 1.00 0.00 O ATOM 680 OD2 ASP A 42 4.602 3.277 -7.113 1.00 0.00 O ATOM 0 H ASP A 42 7.006 4.491 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 42 4.447 4.011 -4.137 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.260 4.662 -5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.197 3.289 -5.232 1.00 0.00 H new ATOM 685 N ILE A 43 4.411 1.737 -3.187 1.00 0.00 N ATOM 686 CA ILE A 43 4.336 0.399 -2.618 1.00 0.00 C ATOM 687 C ILE A 43 4.210 -0.610 -3.747 1.00 0.00 C ATOM 688 O ILE A 43 3.247 -0.568 -4.507 1.00 0.00 O ATOM 689 CB ILE A 43 3.132 0.256 -1.658 1.00 0.00 C ATOM 690 CG1 ILE A 43 3.198 1.317 -0.556 1.00 0.00 C ATOM 691 CG2 ILE A 43 3.099 -1.139 -1.050 1.00 0.00 C ATOM 692 CD1 ILE A 43 2.019 1.287 0.399 1.00 0.00 C ATOM 0 H ILE A 43 3.513 2.114 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 43 5.244 0.217 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 43 2.216 0.406 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.117 1.179 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.254 2.303 -1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.246 -1.222 -0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.009 -1.880 -1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.019 -1.315 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.139 2.068 1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.097 1.457 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.973 0.315 0.890 1.00 0.00 H new ATOM 704 N ARG A 44 5.167 -1.519 -3.854 1.00 0.00 N ATOM 705 CA ARG A 44 5.281 -2.349 -5.044 1.00 0.00 C ATOM 706 C ARG A 44 5.368 -3.836 -4.704 1.00 0.00 C ATOM 707 O ARG A 44 5.797 -4.217 -3.617 1.00 0.00 O ATOM 708 CB ARG A 44 6.517 -1.908 -5.827 1.00 0.00 C ATOM 709 CG ARG A 44 6.741 -2.656 -7.130 1.00 0.00 C ATOM 710 CD ARG A 44 8.021 -2.195 -7.797 1.00 0.00 C ATOM 711 NE ARG A 44 9.162 -2.298 -6.887 1.00 0.00 N ATOM 712 CZ ARG A 44 10.117 -1.379 -6.778 1.00 0.00 C ATOM 713 NH1 ARG A 44 10.073 -0.276 -7.517 1.00 0.00 N ATOM 714 NH2 ARG A 44 11.112 -1.563 -5.925 1.00 0.00 N ATOM 0 H ARG A 44 5.871 -1.700 -3.138 1.00 0.00 H new ATOM 0 HA ARG A 44 4.382 -2.218 -5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.432 -0.843 -6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.396 -2.035 -5.195 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.791 -3.727 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.896 -2.492 -7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.207 -2.797 -8.686 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.909 -1.163 -8.128 1.00 0.00 H new ATOM 0 HE ARG A 44 9.229 -3.128 -6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.304 -0.131 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.808 0.426 -7.430 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.145 -2.408 -5.354 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.846 -0.860 -5.839 1.00 0.00 H new ATOM 728 N ALA A 45 4.921 -4.665 -5.641 1.00 0.00 N ATOM 729 CA ALA A 45 5.085 -6.109 -5.556 1.00 0.00 C ATOM 730 C ALA A 45 5.396 -6.653 -6.938 1.00 0.00 C ATOM 731 O ALA A 45 4.493 -6.851 -7.747 1.00 0.00 O ATOM 732 CB ALA A 45 3.831 -6.774 -5.011 1.00 0.00 C ATOM 0 H ALA A 45 4.434 -4.353 -6.481 1.00 0.00 H new ATOM 0 HA ALA A 45 5.905 -6.328 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.984 -7.852 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.619 -6.389 -4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.989 -6.558 -5.669 1.00 0.00 H new ATOM 738 N TRP A 46 6.661 -6.905 -7.207 1.00 0.00 N ATOM 739 CA TRP A 46 7.087 -7.249 -8.553 1.00 0.00 C ATOM 740 C TRP A 46 7.550 -8.693 -8.644 1.00 0.00 C ATOM 741 O TRP A 46 7.813 -9.351 -7.633 1.00 0.00 O ATOM 742 CB TRP A 46 8.192 -6.297 -9.030 1.00 0.00 C ATOM 743 CG TRP A 46 9.344 -6.166 -8.076 1.00 0.00 C ATOM 744 CD1 TRP A 46 9.364 -5.449 -6.916 1.00 0.00 C ATOM 745 CD2 TRP A 46 10.645 -6.752 -8.206 1.00 0.00 C ATOM 746 NE1 TRP A 46 10.590 -5.557 -6.314 1.00 0.00 N ATOM 747 CE2 TRP A 46 11.396 -6.349 -7.086 1.00 0.00 C ATOM 748 CE3 TRP A 46 11.248 -7.579 -9.158 1.00 0.00 C ATOM 749 CZ2 TRP A 46 12.717 -6.745 -6.892 1.00 0.00 C ATOM 750 CZ3 TRP A 46 12.559 -7.972 -8.964 1.00 0.00 C ATOM 751 CH2 TRP A 46 13.279 -7.555 -7.839 1.00 0.00 C ATOM 0 H TRP A 46 7.411 -6.879 -6.516 1.00 0.00 H new ATOM 0 HA TRP A 46 6.223 -7.139 -9.209 1.00 0.00 H new ATOM 0 HB2 TRP A 46 8.568 -6.647 -9.991 1.00 0.00 H new ATOM 0 HB3 TRP A 46 7.759 -5.311 -9.198 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.533 -4.878 -6.528 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.858 -5.118 -5.433 1.00 0.00 H new ATOM 0 HE3 TRP A 46 10.700 -7.905 -10.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.277 -6.424 -6.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 13.035 -8.611 -9.693 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.301 -7.880 -7.716 1.00 0.00 H new ATOM 762 N SER A 47 7.633 -9.174 -9.868 1.00 0.00 N ATOM 763 CA SER A 47 8.078 -10.522 -10.139 1.00 0.00 C ATOM 764 C SER A 47 9.497 -10.481 -10.691 1.00 0.00 C ATOM 765 O SER A 47 9.894 -9.482 -11.292 1.00 0.00 O ATOM 766 CB SER A 47 7.136 -11.176 -11.148 1.00 0.00 C ATOM 767 OG SER A 47 5.784 -10.934 -10.799 1.00 0.00 O ATOM 0 H SER A 47 7.393 -8.639 -10.703 1.00 0.00 H new ATOM 0 HA SER A 47 8.070 -11.107 -9.219 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.335 -10.785 -12.146 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.321 -12.250 -11.184 1.00 0.00 H new ATOM 0 HG SER A 47 5.404 -11.738 -10.386 1.00 0.00 H new ATOM 877 N LYS A 55 2.966 -5.685 -9.532 1.00 0.00 N ATOM 878 CA LYS A 55 1.906 -4.849 -9.000 1.00 0.00 C ATOM 879 C LYS A 55 2.520 -3.713 -8.196 1.00 0.00 C ATOM 880 O LYS A 55 3.727 -3.701 -7.950 1.00 0.00 O ATOM 881 CB LYS A 55 0.972 -5.677 -8.105 1.00 0.00 C ATOM 882 CG LYS A 55 0.687 -7.077 -8.638 1.00 0.00 C ATOM 883 CD LYS A 55 0.015 -7.046 -10.002 1.00 0.00 C ATOM 884 CE LYS A 55 -0.003 -8.431 -10.630 1.00 0.00 C ATOM 885 NZ LYS A 55 -0.676 -8.437 -11.955 1.00 0.00 N ATOM 0 HA LYS A 55 1.323 -4.441 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.415 -5.760 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.028 -5.144 -7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.621 -7.635 -8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.049 -7.610 -7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.005 -6.675 -9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.543 -6.352 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.020 -8.791 -10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.513 -9.125 -9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.665 -9.401 -12.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.660 -8.119 -11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.175 -7.795 -12.602 1.00 0.00 H new ATOM 899 N GLY A 56 1.702 -2.768 -7.780 1.00 0.00 N ATOM 900 CA GLY A 56 2.204 -1.654 -7.012 1.00 0.00 C ATOM 901 C GLY A 56 1.375 -0.413 -7.225 1.00 0.00 C ATOM 902 O GLY A 56 0.574 -0.360 -8.155 1.00 0.00 O ATOM 0 H GLY A 56 0.698 -2.751 -7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.206 -1.913 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.238 -1.454 -7.293 1.00 0.00 H new ATOM 906 N ILE A 57 1.561 0.580 -6.370 1.00 0.00 N ATOM 907 CA ILE A 57 0.786 1.804 -6.453 1.00 0.00 C ATOM 908 C ILE A 57 1.529 2.964 -5.783 1.00 0.00 C ATOM 909 O ILE A 57 2.171 2.792 -4.743 1.00 0.00 O ATOM 910 CB ILE A 57 -0.614 1.610 -5.819 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.530 2.792 -6.145 1.00 0.00 C ATOM 912 CG2 ILE A 57 -0.506 1.416 -4.311 1.00 0.00 C ATOM 913 CD1 ILE A 57 -2.980 2.535 -5.792 1.00 0.00 C ATOM 0 H ILE A 57 2.242 0.561 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 57 0.652 2.050 -7.506 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.054 0.710 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.182 3.673 -5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.456 3.019 -7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.502 1.282 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.099 0.534 -4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.038 2.293 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.577 3.410 -6.047 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.343 1.672 -6.351 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.065 2.337 -4.723 1.00 0.00 H new ATOM 925 N THR A 58 1.456 4.135 -6.401 1.00 0.00 N ATOM 926 CA THR A 58 2.159 5.310 -5.913 1.00 0.00 C ATOM 927 C THR A 58 1.250 6.159 -5.021 1.00 0.00 C ATOM 928 O THR A 58 0.052 6.303 -5.292 1.00 0.00 O ATOM 929 CB THR A 58 2.656 6.164 -7.095 1.00 0.00 C ATOM 930 OG1 THR A 58 3.237 5.315 -8.092 1.00 0.00 O ATOM 931 CG2 THR A 58 3.686 7.188 -6.643 1.00 0.00 C ATOM 0 H THR A 58 0.912 4.295 -7.249 1.00 0.00 H new ATOM 0 HA THR A 58 3.012 4.970 -5.325 1.00 0.00 H new ATOM 0 HB THR A 58 1.801 6.697 -7.510 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.699 4.568 -7.657 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.017 7.774 -7.500 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.240 7.850 -5.901 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.541 6.674 -6.203 1.00 0.00 H new ATOM 939 N LEU A 59 1.816 6.717 -3.955 1.00 0.00 N ATOM 940 CA LEU A 59 1.052 7.539 -3.026 1.00 0.00 C ATOM 941 C LEU A 59 1.694 8.911 -2.859 1.00 0.00 C ATOM 942 O LEU A 59 2.918 9.051 -2.920 1.00 0.00 O ATOM 943 CB LEU A 59 0.934 6.863 -1.652 1.00 0.00 C ATOM 944 CG LEU A 59 0.223 5.506 -1.625 1.00 0.00 C ATOM 945 CD1 LEU A 59 1.182 4.381 -1.984 1.00 0.00 C ATOM 946 CD2 LEU A 59 -0.398 5.261 -0.259 1.00 0.00 C ATOM 0 H LEU A 59 2.802 6.614 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 59 0.054 7.659 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.938 6.732 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.405 7.540 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.571 5.523 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.652 3.429 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.579 4.547 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.003 4.360 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.899 4.293 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.382 5.268 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.123 6.046 -0.043 1.00 0.00 H new ATOM 958 N SER A 60 0.861 9.920 -2.669 1.00 0.00 N ATOM 959 CA SER A 60 1.333 11.266 -2.397 1.00 0.00 C ATOM 960 C SER A 60 1.616 11.423 -0.905 1.00 0.00 C ATOM 961 O SER A 60 1.190 10.590 -0.105 1.00 0.00 O ATOM 962 CB SER A 60 0.281 12.280 -2.851 1.00 0.00 C ATOM 963 OG SER A 60 -0.234 11.929 -4.127 1.00 0.00 O ATOM 0 H SER A 60 -0.155 9.830 -2.699 1.00 0.00 H new ATOM 0 HA SER A 60 2.256 11.446 -2.948 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.530 12.321 -2.124 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.722 13.276 -2.892 1.00 0.00 H new ATOM 0 HG SER A 60 -0.941 11.259 -4.021 1.00 0.00 H new ATOM 969 N ASN A 61 2.332 12.484 -0.535 1.00 0.00 N ATOM 970 CA ASN A 61 2.680 12.737 0.866 1.00 0.00 C ATOM 971 C ASN A 61 1.443 12.698 1.759 1.00 0.00 C ATOM 972 O ASN A 61 1.442 12.033 2.795 1.00 0.00 O ATOM 973 CB ASN A 61 3.387 14.090 1.022 1.00 0.00 C ATOM 974 CG ASN A 61 4.779 14.105 0.409 1.00 0.00 C ATOM 975 OD1 ASN A 61 5.045 13.426 -0.582 1.00 0.00 O ATOM 976 ND2 ASN A 61 5.679 14.879 0.996 1.00 0.00 N ATOM 0 H ASN A 61 2.684 13.185 -1.187 1.00 0.00 H new ATOM 0 HA ASN A 61 3.361 11.945 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.781 14.867 0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.459 14.336 2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.629 14.926 0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.422 15.428 1.816 1.00 0.00 H new ATOM 983 N GLU A 62 0.391 13.399 1.343 1.00 0.00 N ATOM 984 CA GLU A 62 -0.866 13.416 2.084 1.00 0.00 C ATOM 985 C GLU A 62 -1.435 12.007 2.235 1.00 0.00 C ATOM 986 O GLU A 62 -1.732 11.564 3.342 1.00 0.00 O ATOM 987 CB GLU A 62 -1.889 14.308 1.376 1.00 0.00 C ATOM 988 CG GLU A 62 -1.540 15.785 1.389 1.00 0.00 C ATOM 989 CD GLU A 62 -1.441 16.345 2.793 1.00 0.00 C ATOM 990 OE1 GLU A 62 -2.458 16.341 3.515 1.00 0.00 O ATOM 991 OE2 GLU A 62 -0.343 16.774 3.192 1.00 0.00 O ATOM 0 H GLU A 62 0.385 13.964 0.494 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.662 13.817 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.988 13.978 0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.862 14.172 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.591 15.936 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.296 16.339 0.833 1.00 0.00 H new ATOM 998 N GLU A 63 -1.561 11.309 1.113 1.00 0.00 N ATOM 999 CA GLU A 63 -2.164 9.981 1.086 1.00 0.00 C ATOM 1000 C GLU A 63 -1.363 8.992 1.936 1.00 0.00 C ATOM 1001 O GLU A 63 -1.930 8.219 2.714 1.00 0.00 O ATOM 1002 CB GLU A 63 -2.241 9.479 -0.359 1.00 0.00 C ATOM 1003 CG GLU A 63 -2.846 10.487 -1.325 1.00 0.00 C ATOM 1004 CD GLU A 63 -2.839 9.994 -2.757 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -1.736 9.812 -3.321 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -3.924 9.780 -3.329 1.00 0.00 O ATOM 0 H GLU A 63 -1.250 11.644 0.201 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.168 10.053 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.238 9.220 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.832 8.564 -0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.871 10.704 -1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.291 11.423 -1.264 1.00 0.00 H new ATOM 1013 N PHE A 64 -0.047 9.040 1.792 1.00 0.00 N ATOM 1014 CA PHE A 64 0.845 8.119 2.485 1.00 0.00 C ATOM 1015 C PHE A 64 0.788 8.351 3.994 1.00 0.00 C ATOM 1016 O PHE A 64 0.647 7.409 4.770 1.00 0.00 O ATOM 1017 CB PHE A 64 2.275 8.297 1.968 1.00 0.00 C ATOM 1018 CG PHE A 64 3.122 7.059 2.064 1.00 0.00 C ATOM 1019 CD1 PHE A 64 3.016 6.060 1.108 1.00 0.00 C ATOM 1020 CD2 PHE A 64 4.030 6.899 3.095 1.00 0.00 C ATOM 1021 CE1 PHE A 64 3.802 4.926 1.179 1.00 0.00 C ATOM 1022 CE2 PHE A 64 4.817 5.766 3.172 1.00 0.00 C ATOM 1023 CZ PHE A 64 4.705 4.778 2.213 1.00 0.00 C ATOM 0 H PHE A 64 0.432 9.714 1.195 1.00 0.00 H new ATOM 0 HA PHE A 64 0.522 7.097 2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.236 8.617 0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.756 9.098 2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.310 6.170 0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.125 7.668 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.710 4.156 0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.521 5.653 3.983 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.321 3.893 2.272 1.00 0.00 H new ATOM 1033 N GLN A 65 0.882 9.612 4.402 1.00 0.00 N ATOM 1034 CA GLN A 65 0.788 9.975 5.813 1.00 0.00 C ATOM 1035 C GLN A 65 -0.586 9.574 6.361 1.00 0.00 C ATOM 1036 O GLN A 65 -0.701 9.067 7.479 1.00 0.00 O ATOM 1037 CB GLN A 65 1.004 11.486 5.969 1.00 0.00 C ATOM 1038 CG GLN A 65 1.695 11.917 7.262 1.00 0.00 C ATOM 1039 CD GLN A 65 0.943 11.531 8.523 1.00 0.00 C ATOM 1040 OE1 GLN A 65 0.061 12.257 8.982 1.00 0.00 O ATOM 1041 NE2 GLN A 65 1.318 10.410 9.115 1.00 0.00 N ATOM 0 H GLN A 65 1.024 10.403 3.774 1.00 0.00 H new ATOM 0 HA GLN A 65 1.557 9.447 6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.595 11.841 5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.035 11.983 5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.690 11.474 7.295 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.828 12.999 7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.053 9.836 8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.872 10.119 9.985 1.00 0.00 H new ATOM 1050 N THR A 66 -1.620 9.782 5.545 1.00 0.00 N ATOM 1051 CA THR A 66 -2.991 9.456 5.922 1.00 0.00 C ATOM 1052 C THR A 66 -3.129 7.990 6.332 1.00 0.00 C ATOM 1053 O THR A 66 -3.673 7.689 7.398 1.00 0.00 O ATOM 1054 CB THR A 66 -3.976 9.767 4.771 1.00 0.00 C ATOM 1055 OG1 THR A 66 -4.053 11.183 4.564 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.368 9.221 5.060 1.00 0.00 C ATOM 0 H THR A 66 -1.529 10.179 4.610 1.00 0.00 H new ATOM 0 HA THR A 66 -3.239 10.081 6.780 1.00 0.00 H new ATOM 0 HB THR A 66 -3.599 9.279 3.872 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.172 11.524 4.303 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.032 9.459 4.229 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.316 8.139 5.185 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.754 9.673 5.974 1.00 0.00 H new ATOM 1064 N MET A 67 -2.629 7.083 5.496 1.00 0.00 N ATOM 1065 CA MET A 67 -2.731 5.656 5.786 1.00 0.00 C ATOM 1066 C MET A 67 -1.942 5.315 7.047 1.00 0.00 C ATOM 1067 O MET A 67 -2.380 4.505 7.857 1.00 0.00 O ATOM 1068 CB MET A 67 -2.236 4.807 4.606 1.00 0.00 C ATOM 1069 CG MET A 67 -0.723 4.749 4.486 1.00 0.00 C ATOM 1070 SD MET A 67 -0.146 3.593 3.234 1.00 0.00 S ATOM 1071 CE MET A 67 1.610 3.604 3.596 1.00 0.00 C ATOM 0 H MET A 67 -2.154 7.308 4.622 1.00 0.00 H new ATOM 0 HA MET A 67 -3.783 5.423 5.949 1.00 0.00 H new ATOM 0 HB2 MET A 67 -2.622 3.793 4.712 1.00 0.00 H new ATOM 0 HB3 MET A 67 -2.649 5.210 3.682 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.347 5.745 4.251 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.300 4.468 5.451 1.00 0.00 H new ATOM 0 HE1 MET A 67 2.105 2.822 3.021 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.031 4.573 3.328 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.763 3.424 4.660 1.00 0.00 H new ATOM 1081 N VAL A 68 -0.797 5.973 7.218 1.00 0.00 N ATOM 1082 CA VAL A 68 0.086 5.719 8.351 1.00 0.00 C ATOM 1083 C VAL A 68 -0.646 5.905 9.672 1.00 0.00 C ATOM 1084 O VAL A 68 -0.715 4.984 10.490 1.00 0.00 O ATOM 1085 CB VAL A 68 1.325 6.643 8.300 1.00 0.00 C ATOM 1086 CG1 VAL A 68 2.087 6.625 9.614 1.00 0.00 C ATOM 1087 CG2 VAL A 68 2.241 6.234 7.158 1.00 0.00 C ATOM 0 H VAL A 68 -0.458 6.692 6.579 1.00 0.00 H new ATOM 0 HA VAL A 68 0.417 4.683 8.283 1.00 0.00 H new ATOM 0 HB VAL A 68 0.974 7.661 8.130 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.951 7.285 9.542 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.435 6.967 10.418 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.422 5.610 9.826 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.109 6.893 7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.570 5.205 7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.702 6.310 6.214 1.00 0.00 H new ATOM 1097 N ASP A 69 -1.219 7.084 9.869 1.00 0.00 N ATOM 1098 CA ASP A 69 -1.909 7.391 11.113 1.00 0.00 C ATOM 1099 C ASP A 69 -3.191 6.573 11.237 1.00 0.00 C ATOM 1100 O ASP A 69 -3.554 6.122 12.329 1.00 0.00 O ATOM 1101 CB ASP A 69 -2.217 8.886 11.197 1.00 0.00 C ATOM 1102 CG ASP A 69 -2.841 9.270 12.523 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -2.122 9.259 13.546 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -4.046 9.594 12.552 1.00 0.00 O ATOM 0 H ASP A 69 -1.220 7.841 9.186 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.254 7.125 11.942 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.297 9.453 11.053 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.892 9.162 10.387 1.00 0.00 H new ATOM 1109 N ALA A 70 -3.856 6.357 10.110 1.00 0.00 N ATOM 1110 CA ALA A 70 -5.085 5.580 10.089 1.00 0.00 C ATOM 1111 C ALA A 70 -4.842 4.153 10.560 1.00 0.00 C ATOM 1112 O ALA A 70 -5.551 3.650 11.430 1.00 0.00 O ATOM 1113 CB ALA A 70 -5.686 5.577 8.696 1.00 0.00 C ATOM 0 H ALA A 70 -3.564 6.710 9.199 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.789 6.049 10.777 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.605 4.991 8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.908 6.600 8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.977 5.137 7.995 1.00 0.00 H new ATOM 1119 N PHE A 71 -3.821 3.518 10.005 1.00 0.00 N ATOM 1120 CA PHE A 71 -3.533 2.126 10.315 1.00 0.00 C ATOM 1121 C PHE A 71 -3.051 1.950 11.745 1.00 0.00 C ATOM 1122 O PHE A 71 -3.519 1.057 12.439 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.530 1.542 9.324 1.00 0.00 C ATOM 1124 CG PHE A 71 -3.121 1.350 7.958 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.401 0.840 7.819 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -2.412 1.694 6.821 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -4.962 0.672 6.571 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -2.970 1.530 5.567 1.00 0.00 C ATOM 1129 CZ PHE A 71 -4.247 1.020 5.445 1.00 0.00 C ATOM 0 H PHE A 71 -3.178 3.944 9.338 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.468 1.574 10.220 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.666 2.203 9.254 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.169 0.584 9.699 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.966 0.571 8.699 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.413 2.094 6.914 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.959 0.269 6.476 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.408 1.800 4.685 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.686 0.894 4.466 1.00 0.00 H new ATOM 1139 N LYS A 72 -2.158 2.817 12.205 1.00 0.00 N ATOM 1140 CA LYS A 72 -1.621 2.678 13.555 1.00 0.00 C ATOM 1141 C LYS A 72 -2.655 3.073 14.608 1.00 0.00 C ATOM 1142 O LYS A 72 -2.466 2.819 15.799 1.00 0.00 O ATOM 1143 CB LYS A 72 -0.335 3.491 13.727 1.00 0.00 C ATOM 1144 CG LYS A 72 -0.503 4.994 13.596 1.00 0.00 C ATOM 1145 CD LYS A 72 0.836 5.701 13.752 1.00 0.00 C ATOM 1146 CE LYS A 72 0.726 7.191 13.484 1.00 0.00 C ATOM 1147 NZ LYS A 72 -0.063 7.893 14.530 1.00 0.00 N ATOM 0 H LYS A 72 -1.795 3.610 11.676 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.377 1.626 13.702 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.087 3.272 14.708 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.391 3.156 12.986 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.935 5.233 12.624 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.200 5.354 14.352 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.215 5.541 14.761 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.560 5.262 13.066 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.725 7.624 13.433 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.260 7.350 12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.898 8.335 14.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.368 7.209 15.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.525 8.626 14.975 1.00 0.00 H new ATOM 1161 N GLY A 73 -3.740 3.700 14.169 1.00 0.00 N ATOM 1162 CA GLY A 73 -4.825 4.019 15.074 1.00 0.00 C ATOM 1163 C GLY A 73 -5.975 3.030 14.977 1.00 0.00 C ATOM 1164 O GLY A 73 -6.977 3.171 15.675 1.00 0.00 O ATOM 0 H GLY A 73 -3.887 3.993 13.203 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.448 4.034 16.097 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.193 5.021 14.856 1.00 0.00 H new ATOM 1168 N ASN A 74 -5.828 2.024 14.119 1.00 0.00 N ATOM 1169 CA ASN A 74 -6.894 1.044 13.899 1.00 0.00 C ATOM 1170 C ASN A 74 -6.378 -0.383 14.069 1.00 0.00 C ATOM 1171 O ASN A 74 -6.943 -1.170 14.831 1.00 0.00 O ATOM 1172 CB ASN A 74 -7.509 1.209 12.504 1.00 0.00 C ATOM 1173 CG ASN A 74 -8.397 2.437 12.378 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -9.091 2.794 13.449 1.00 0.00 O flip ATOM 1175 ND2 ASN A 74 -8.477 3.051 11.311 1.00 0.00 N flip ATOM 0 H ASN A 74 -4.986 1.864 13.566 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.663 1.227 14.649 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.708 1.271 11.767 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.094 0.321 12.265 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.928 2.749 10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.092 3.861 11.234 1.00 0.00 H new ATOM 1182 N LEU A 75 -5.306 -0.709 13.361 1.00 0.00 N ATOM 1183 CA LEU A 75 -4.725 -2.041 13.413 1.00 0.00 C ATOM 1184 C LEU A 75 -3.511 -2.025 14.336 1.00 0.00 C ATOM 1185 O LEU A 75 -2.621 -1.192 14.170 1.00 0.00 O ATOM 1186 CB LEU A 75 -4.328 -2.501 12.000 1.00 0.00 C ATOM 1187 CG LEU A 75 -3.783 -3.931 11.895 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -4.808 -4.938 12.396 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -3.388 -4.256 10.458 1.00 0.00 C ATOM 0 H LEU A 75 -4.819 -0.063 12.740 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.459 -2.745 13.805 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.200 -2.416 11.352 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.574 -1.815 11.613 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.895 -3.997 12.523 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.400 -5.945 12.312 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.045 -4.728 13.439 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.715 -4.863 11.796 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.004 -5.275 10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.261 -4.164 9.811 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.616 -3.561 10.127 1.00 0.00 H new ATOM 1201 N GLU A 76 -3.510 -2.933 15.314 1.00 0.00 N ATOM 1202 CA GLU A 76 -2.449 -3.022 16.318 1.00 0.00 C ATOM 1203 C GLU A 76 -2.568 -1.860 17.305 1.00 0.00 C ATOM 1204 O GLU A 76 -2.279 -0.708 16.981 1.00 0.00 O ATOM 1205 CB GLU A 76 -1.052 -3.047 15.668 1.00 0.00 C ATOM 1206 CG GLU A 76 0.035 -3.684 16.530 1.00 0.00 C ATOM 1207 CD GLU A 76 0.186 -3.026 17.886 1.00 0.00 C ATOM 1208 OE1 GLU A 76 0.888 -1.999 17.981 1.00 0.00 O ATOM 1209 OE2 GLU A 76 -0.415 -3.524 18.860 1.00 0.00 O ATOM 0 H GLU A 76 -4.247 -3.629 15.432 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.570 -3.961 16.858 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.114 -3.589 14.724 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.757 -2.025 15.430 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.194 -4.740 16.670 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.986 -3.632 16.000 1.00 0.00 H new ATOM 1451 N THR B 8 -13.669 -16.218 -7.646 1.00 0.00 N ATOM 1452 CA THR B 8 -14.611 -15.183 -7.265 1.00 0.00 C ATOM 1453 C THR B 8 -13.998 -14.279 -6.197 1.00 0.00 C ATOM 1454 O THR B 8 -13.480 -14.766 -5.191 1.00 0.00 O ATOM 1455 CB THR B 8 -15.914 -15.803 -6.720 1.00 0.00 C ATOM 1456 OG1 THR B 8 -16.415 -16.783 -7.643 1.00 0.00 O ATOM 1457 CG2 THR B 8 -16.971 -14.735 -6.484 1.00 0.00 C ATOM 0 HA THR B 8 -14.843 -14.594 -8.153 1.00 0.00 H new ATOM 0 HB THR B 8 -15.688 -16.281 -5.767 1.00 0.00 H new ATOM 0 HG1 THR B 8 -15.674 -17.136 -8.179 1.00 0.00 H new ATOM 0 HG21 THR B 8 -17.879 -15.200 -6.100 1.00 0.00 H new ATOM 0 HG22 THR B 8 -16.600 -14.010 -5.759 1.00 0.00 H new ATOM 0 HG23 THR B 8 -17.192 -14.228 -7.423 1.00 0.00 H new ATOM 1465 N PHE B 9 -14.032 -12.975 -6.421 1.00 0.00 N ATOM 1466 CA PHE B 9 -13.511 -12.030 -5.443 1.00 0.00 C ATOM 1467 C PHE B 9 -14.594 -11.034 -5.049 1.00 0.00 C ATOM 1468 O PHE B 9 -15.435 -10.664 -5.872 1.00 0.00 O ATOM 1469 CB PHE B 9 -12.263 -11.309 -5.976 1.00 0.00 C ATOM 1470 CG PHE B 9 -12.517 -10.358 -7.114 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -12.573 -10.811 -8.422 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -12.687 -9.004 -6.871 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -12.797 -9.931 -9.464 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -12.910 -8.121 -7.907 1.00 0.00 C ATOM 1475 CZ PHE B 9 -12.965 -8.586 -9.205 1.00 0.00 C ATOM 0 H PHE B 9 -14.412 -12.548 -7.266 1.00 0.00 H new ATOM 0 HA PHE B 9 -13.211 -12.585 -4.554 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -11.803 -10.757 -5.157 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -11.541 -12.057 -6.302 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -12.440 -11.863 -8.630 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -12.644 -8.635 -5.857 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -12.840 -10.296 -10.480 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -13.041 -7.069 -7.703 1.00 0.00 H new ATOM 0 HZ PHE B 9 -13.140 -7.897 -10.018 1.00 0.00 H new ATOM 1485 N GLU B 10 -14.585 -10.617 -3.792 1.00 0.00 N ATOM 1486 CA GLU B 10 -15.620 -9.733 -3.279 1.00 0.00 C ATOM 1487 C GLU B 10 -15.042 -8.783 -2.236 1.00 0.00 C ATOM 1488 O GLU B 10 -14.363 -9.214 -1.301 1.00 0.00 O ATOM 1489 CB GLU B 10 -16.748 -10.566 -2.659 1.00 0.00 C ATOM 1490 CG GLU B 10 -18.046 -9.801 -2.453 1.00 0.00 C ATOM 1491 CD GLU B 10 -18.750 -9.493 -3.760 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -18.453 -8.446 -4.371 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -19.616 -10.295 -4.180 1.00 0.00 O ATOM 0 H GLU B 10 -13.873 -10.876 -3.109 1.00 0.00 H new ATOM 0 HA GLU B 10 -16.018 -9.141 -4.104 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -16.944 -11.426 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -16.412 -10.954 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -18.710 -10.383 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -17.836 -8.869 -1.928 1.00 0.00 H new ATOM 1500 N ILE B 11 -15.296 -7.492 -2.406 1.00 0.00 N ATOM 1501 CA ILE B 11 -14.879 -6.500 -1.426 1.00 0.00 C ATOM 1502 C ILE B 11 -15.866 -6.480 -0.263 1.00 0.00 C ATOM 1503 O ILE B 11 -16.927 -5.856 -0.341 1.00 0.00 O ATOM 1504 CB ILE B 11 -14.777 -5.084 -2.038 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -13.866 -5.094 -3.269 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -14.254 -4.101 -1.001 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -13.773 -3.756 -3.976 1.00 0.00 C ATOM 0 H ILE B 11 -15.788 -7.108 -3.213 1.00 0.00 H new ATOM 0 HA ILE B 11 -13.887 -6.783 -1.075 1.00 0.00 H new ATOM 0 HB ILE B 11 -15.773 -4.769 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -12.866 -5.404 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -14.232 -5.841 -3.973 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -14.186 -3.107 -1.443 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -14.934 -4.074 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -13.266 -4.417 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -13.110 -3.845 -4.837 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -14.765 -3.452 -4.312 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -13.378 -3.008 -3.289 1.00 0.00 H new ATOM 1519 N GLU B 12 -15.519 -7.191 0.796 1.00 0.00 N ATOM 1520 CA GLU B 12 -16.386 -7.325 1.957 1.00 0.00 C ATOM 1521 C GLU B 12 -16.194 -6.173 2.935 1.00 0.00 C ATOM 1522 O GLU B 12 -17.150 -5.700 3.550 1.00 0.00 O ATOM 1523 CB GLU B 12 -16.098 -8.650 2.665 1.00 0.00 C ATOM 1524 CG GLU B 12 -16.639 -9.867 1.937 1.00 0.00 C ATOM 1525 CD GLU B 12 -18.131 -10.039 2.124 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -18.912 -9.445 1.351 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -18.531 -10.777 3.051 1.00 0.00 O ATOM 0 H GLU B 12 -14.633 -7.690 0.877 1.00 0.00 H new ATOM 0 HA GLU B 12 -17.419 -7.305 1.609 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -15.020 -8.760 2.785 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -16.528 -8.617 3.666 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -16.417 -9.778 0.873 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -16.126 -10.759 2.296 1.00 0.00 H new ATOM 1534 N GLU B 13 -14.959 -5.715 3.071 1.00 0.00 N ATOM 1535 CA GLU B 13 -14.631 -4.745 4.100 1.00 0.00 C ATOM 1536 C GLU B 13 -13.843 -3.576 3.520 1.00 0.00 C ATOM 1537 O GLU B 13 -13.014 -3.752 2.625 1.00 0.00 O ATOM 1538 CB GLU B 13 -13.823 -5.433 5.202 1.00 0.00 C ATOM 1539 CG GLU B 13 -13.775 -4.665 6.512 1.00 0.00 C ATOM 1540 CD GLU B 13 -13.037 -5.427 7.594 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -13.281 -6.644 7.745 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -12.206 -4.814 8.296 1.00 0.00 O ATOM 0 H GLU B 13 -14.173 -5.998 2.485 1.00 0.00 H new ATOM 0 HA GLU B 13 -15.557 -4.348 4.517 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -14.249 -6.419 5.387 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -12.804 -5.588 4.847 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -13.288 -3.703 6.350 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -14.791 -4.455 6.846 1.00 0.00 H new ATOM 1549 N HIS B 14 -14.120 -2.385 4.023 1.00 0.00 N ATOM 1550 CA HIS B 14 -13.397 -1.189 3.614 1.00 0.00 C ATOM 1551 C HIS B 14 -12.584 -0.665 4.789 1.00 0.00 C ATOM 1552 O HIS B 14 -13.073 -0.625 5.920 1.00 0.00 O ATOM 1553 CB HIS B 14 -14.362 -0.098 3.128 1.00 0.00 C ATOM 1554 CG HIS B 14 -15.218 -0.507 1.966 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -16.568 -0.732 2.081 1.00 0.00 N ATOM 1556 CD2 HIS B 14 -14.912 -0.726 0.665 1.00 0.00 C ATOM 1557 CE1 HIS B 14 -17.060 -1.075 0.908 1.00 0.00 C ATOM 1558 NE2 HIS B 14 -16.077 -1.078 0.027 1.00 0.00 N ATOM 0 H HIS B 14 -14.845 -2.218 4.720 1.00 0.00 H new ATOM 0 HA HIS B 14 -12.735 -1.451 2.789 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -15.008 0.195 3.956 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -13.785 0.783 2.847 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -13.935 -0.640 0.213 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -18.093 -1.313 0.702 1.00 0.00 H new ATOM 0 HE2 HIS B 14 -16.167 -1.304 -0.963 1.00 0.00 H new ATOM 1567 N LEU B 15 -11.342 -0.286 4.532 1.00 0.00 N ATOM 1568 CA LEU B 15 -10.487 0.241 5.583 1.00 0.00 C ATOM 1569 C LEU B 15 -10.632 1.749 5.665 1.00 0.00 C ATOM 1570 O LEU B 15 -11.194 2.276 6.625 1.00 0.00 O ATOM 1571 CB LEU B 15 -9.027 -0.135 5.331 1.00 0.00 C ATOM 1572 CG LEU B 15 -8.727 -1.631 5.369 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -7.272 -1.882 5.031 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -9.061 -2.211 6.736 1.00 0.00 C ATOM 0 H LEU B 15 -10.906 -0.333 3.611 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.796 -0.198 6.532 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.731 0.254 4.357 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.406 0.363 6.076 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.350 -2.127 4.625 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.071 -2.953 5.062 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.060 -1.501 4.032 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.637 -1.373 5.756 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.840 -3.278 6.742 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.463 -1.712 7.499 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.119 -2.058 6.947 1.00 0.00 H new ATOM 1586 N LEU B 16 -10.136 2.435 4.649 1.00 0.00 N ATOM 1587 CA LEU B 16 -10.263 3.878 4.573 1.00 0.00 C ATOM 1588 C LEU B 16 -9.959 4.355 3.164 1.00 0.00 C ATOM 1589 O LEU B 16 -9.104 3.788 2.475 1.00 0.00 O ATOM 1590 CB LEU B 16 -9.319 4.581 5.559 1.00 0.00 C ATOM 1591 CG LEU B 16 -7.824 4.408 5.281 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -7.097 5.731 5.462 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -7.228 3.351 6.197 1.00 0.00 C ATOM 0 H LEU B 16 -9.640 2.013 3.864 1.00 0.00 H new ATOM 0 HA LEU B 16 -11.289 4.131 4.838 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -9.550 5.646 5.558 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -9.529 4.210 6.562 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.702 4.079 4.249 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -6.035 5.593 5.261 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -7.504 6.468 4.770 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.230 6.082 6.485 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.165 3.243 5.984 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -7.361 3.653 7.236 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -7.731 2.399 6.029 1.00 0.00 H new ATOM 1605 N THR B 17 -10.675 5.371 2.730 1.00 0.00 N ATOM 1606 CA THR B 17 -10.365 6.033 1.483 1.00 0.00 C ATOM 1607 C THR B 17 -9.213 7.001 1.706 1.00 0.00 C ATOM 1608 O THR B 17 -9.339 7.962 2.468 1.00 0.00 O ATOM 1609 CB THR B 17 -11.588 6.784 0.930 1.00 0.00 C ATOM 1610 OG1 THR B 17 -12.705 5.888 0.842 1.00 0.00 O ATOM 1611 CG2 THR B 17 -11.293 7.376 -0.442 1.00 0.00 C ATOM 0 H THR B 17 -11.479 5.757 3.226 1.00 0.00 H new ATOM 0 HA THR B 17 -10.080 5.280 0.749 1.00 0.00 H new ATOM 0 HB THR B 17 -11.825 7.602 1.610 1.00 0.00 H new ATOM 0 HG1 THR B 17 -12.607 5.320 0.049 1.00 0.00 H new ATOM 0 HG21 THR B 17 -12.175 7.901 -0.809 1.00 0.00 H new ATOM 0 HG22 THR B 17 -10.460 8.075 -0.365 1.00 0.00 H new ATOM 0 HG23 THR B 17 -11.033 6.576 -1.135 1.00 0.00 H new ATOM 1619 N LEU B 18 -8.081 6.722 1.068 1.00 0.00 N ATOM 1620 CA LEU B 18 -6.888 7.539 1.236 1.00 0.00 C ATOM 1621 C LEU B 18 -7.169 8.973 0.817 1.00 0.00 C ATOM 1622 O LEU B 18 -7.229 9.875 1.654 1.00 0.00 O ATOM 1623 CB LEU B 18 -5.724 6.972 0.418 1.00 0.00 C ATOM 1624 CG LEU B 18 -5.316 5.541 0.767 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -4.165 5.094 -0.118 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -4.932 5.435 2.237 1.00 0.00 C ATOM 0 H LEU B 18 -7.966 5.935 0.429 1.00 0.00 H new ATOM 0 HA LEU B 18 -6.610 7.526 2.290 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -5.992 7.009 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -4.859 7.621 0.550 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.168 4.885 0.590 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -3.883 4.073 0.140 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.473 5.132 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.312 5.755 0.033 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.645 4.409 2.465 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -4.094 6.101 2.443 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -5.782 5.720 2.857 1.00 0.00 H new ATOM 1638 N SER B 19 -7.360 9.169 -0.478 1.00 0.00 N ATOM 1639 CA SER B 19 -7.657 10.483 -1.028 1.00 0.00 C ATOM 1640 C SER B 19 -8.219 10.342 -2.433 1.00 0.00 C ATOM 1641 O SER B 19 -7.977 9.337 -3.111 1.00 0.00 O ATOM 1642 CB SER B 19 -6.399 11.365 -1.073 1.00 0.00 C ATOM 1643 OG SER B 19 -5.881 11.619 0.225 1.00 0.00 O ATOM 0 H SER B 19 -7.314 8.426 -1.175 1.00 0.00 H new ATOM 0 HA SER B 19 -8.393 10.959 -0.379 1.00 0.00 H new ATOM 0 HB2 SER B 19 -5.636 10.877 -1.679 1.00 0.00 H new ATOM 0 HB3 SER B 19 -6.636 12.311 -1.560 1.00 0.00 H new ATOM 0 HG SER B 19 -6.526 11.319 0.899 1.00 0.00 H new ATOM 1649 N GLU B 20 -8.987 11.331 -2.863 1.00 0.00 N ATOM 1650 CA GLU B 20 -9.388 11.412 -4.252 1.00 0.00 C ATOM 1651 C GLU B 20 -8.254 12.067 -5.031 1.00 0.00 C ATOM 1652 O GLU B 20 -7.542 12.923 -4.500 1.00 0.00 O ATOM 1653 CB GLU B 20 -10.688 12.215 -4.424 1.00 0.00 C ATOM 1654 CG GLU B 20 -10.485 13.724 -4.443 1.00 0.00 C ATOM 1655 CD GLU B 20 -11.785 14.502 -4.502 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -12.363 14.781 -3.432 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -12.218 14.861 -5.617 1.00 0.00 O ATOM 0 H GLU B 20 -9.341 12.083 -2.272 1.00 0.00 H new ATOM 0 HA GLU B 20 -9.585 10.408 -4.629 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -11.170 11.912 -5.353 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -11.370 11.961 -3.613 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -9.932 14.021 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -9.871 13.990 -5.303 1.00 0.00 H new ATOM 1664 N ASN B 21 -8.059 11.651 -6.262 1.00 0.00 N ATOM 1665 CA ASN B 21 -7.004 12.216 -7.080 1.00 0.00 C ATOM 1666 C ASN B 21 -7.589 13.263 -8.011 1.00 0.00 C ATOM 1667 O ASN B 21 -8.700 13.103 -8.515 1.00 0.00 O ATOM 1668 CB ASN B 21 -6.265 11.121 -7.857 1.00 0.00 C ATOM 1669 CG ASN B 21 -5.265 10.363 -6.991 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -5.488 10.351 -5.682 1.00 0.00 O flip ATOM 1671 ND2 ASN B 21 -4.289 9.807 -7.495 1.00 0.00 N flip ATOM 0 H ASN B 21 -8.613 10.927 -6.719 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.270 12.698 -6.434 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -6.991 10.419 -8.267 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -5.742 11.569 -8.702 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.150 9.837 -8.505 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -3.619 9.316 -6.903 1.00 0.00 H new ATOM 1678 N GLU B 22 -6.825 14.320 -8.249 1.00 0.00 N ATOM 1679 CA GLU B 22 -7.315 15.503 -8.957 1.00 0.00 C ATOM 1680 C GLU B 22 -7.555 15.248 -10.449 1.00 0.00 C ATOM 1681 O GLU B 22 -7.811 16.178 -11.211 1.00 0.00 O ATOM 1682 CB GLU B 22 -6.354 16.684 -8.753 1.00 0.00 C ATOM 1683 CG GLU B 22 -4.888 16.289 -8.597 1.00 0.00 C ATOM 1684 CD GLU B 22 -4.354 15.510 -9.778 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -3.933 16.140 -10.770 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -4.357 14.265 -9.722 1.00 0.00 O ATOM 0 H GLU B 22 -5.849 14.385 -7.959 1.00 0.00 H new ATOM 0 HA GLU B 22 -8.285 15.752 -8.526 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -6.446 17.361 -9.602 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -6.664 17.239 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.288 17.189 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.773 15.691 -7.693 1.00 0.00 H new ATOM 1693 N LYS B 23 -7.465 13.992 -10.861 1.00 0.00 N ATOM 1694 CA LYS B 23 -7.843 13.607 -12.215 1.00 0.00 C ATOM 1695 C LYS B 23 -9.294 13.135 -12.230 1.00 0.00 C ATOM 1696 O LYS B 23 -9.821 12.741 -13.272 1.00 0.00 O ATOM 1697 CB LYS B 23 -6.935 12.490 -12.737 1.00 0.00 C ATOM 1698 CG LYS B 23 -5.456 12.844 -12.766 1.00 0.00 C ATOM 1699 CD LYS B 23 -5.181 14.074 -13.616 1.00 0.00 C ATOM 1700 CE LYS B 23 -3.688 14.298 -13.800 1.00 0.00 C ATOM 1701 NZ LYS B 23 -2.966 14.361 -12.503 1.00 0.00 N ATOM 0 H LYS B 23 -7.134 13.222 -10.279 1.00 0.00 H new ATOM 0 HA LYS B 23 -7.732 14.476 -12.864 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -7.072 11.606 -12.114 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -7.252 12.222 -13.745 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -5.106 13.020 -11.749 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -4.889 11.999 -13.157 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -5.656 13.959 -14.590 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -5.627 14.950 -13.146 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -3.273 13.492 -14.406 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -3.526 15.226 -14.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -1.964 14.582 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -3.387 15.102 -11.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -3.040 13.443 -12.019 1.00 0.00 H new ATOM 1715 N GLY B 24 -9.933 13.179 -11.065 1.00 0.00 N ATOM 1716 CA GLY B 24 -11.285 12.672 -10.934 1.00 0.00 C ATOM 1717 C GLY B 24 -11.287 11.227 -10.485 1.00 0.00 C ATOM 1718 O GLY B 24 -12.308 10.546 -10.540 1.00 0.00 O ATOM 0 H GLY B 24 -9.535 13.559 -10.206 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -11.836 13.279 -10.216 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -11.803 12.759 -11.889 1.00 0.00 H new ATOM 1722 N TRP B 25 -10.132 10.768 -10.023 1.00 0.00 N ATOM 1723 CA TRP B 25 -9.952 9.371 -9.648 1.00 0.00 C ATOM 1724 C TRP B 25 -10.085 9.215 -8.143 1.00 0.00 C ATOM 1725 O TRP B 25 -10.028 10.195 -7.400 1.00 0.00 O ATOM 1726 CB TRP B 25 -8.570 8.865 -10.090 1.00 0.00 C ATOM 1727 CG TRP B 25 -8.336 8.904 -11.574 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -9.111 9.510 -12.519 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -7.238 8.310 -12.281 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -8.564 9.337 -13.765 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -7.417 8.599 -13.646 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -6.124 7.561 -11.891 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -6.521 8.168 -14.622 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -5.237 7.133 -12.860 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -5.440 7.437 -14.211 1.00 0.00 C ATOM 0 H TRP B 25 -9.301 11.346 -9.898 1.00 0.00 H new ATOM 0 HA TRP B 25 -10.722 8.782 -10.147 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -7.804 9.464 -9.598 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -8.444 7.840 -9.742 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -10.025 10.049 -12.315 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -8.949 9.699 -14.637 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -5.960 7.321 -10.851 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -6.674 8.402 -15.665 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -4.373 6.554 -12.570 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -4.728 7.087 -14.944 1.00 0.00 H new ATOM 1746 N THR B 26 -10.266 7.992 -7.685 1.00 0.00 N ATOM 1747 CA THR B 26 -10.322 7.737 -6.260 1.00 0.00 C ATOM 1748 C THR B 26 -9.374 6.601 -5.893 1.00 0.00 C ATOM 1749 O THR B 26 -9.271 5.619 -6.624 1.00 0.00 O ATOM 1750 CB THR B 26 -11.755 7.391 -5.817 1.00 0.00 C ATOM 1751 OG1 THR B 26 -12.684 8.292 -6.441 1.00 0.00 O ATOM 1752 CG2 THR B 26 -11.886 7.497 -4.307 1.00 0.00 C ATOM 0 H THR B 26 -10.376 7.166 -8.273 1.00 0.00 H new ATOM 0 HA THR B 26 -10.013 8.644 -5.740 1.00 0.00 H new ATOM 0 HB THR B 26 -11.975 6.367 -6.119 1.00 0.00 H new ATOM 0 HG1 THR B 26 -13.596 8.069 -6.159 1.00 0.00 H new ATOM 0 HG21 THR B 26 -12.906 7.249 -4.012 1.00 0.00 H new ATOM 0 HG22 THR B 26 -11.192 6.804 -3.832 1.00 0.00 H new ATOM 0 HG23 THR B 26 -11.655 8.515 -3.992 1.00 0.00 H new ATOM 1760 N LYS B 27 -8.674 6.744 -4.778 1.00 0.00 N ATOM 1761 CA LYS B 27 -7.692 5.754 -4.369 1.00 0.00 C ATOM 1762 C LYS B 27 -7.845 5.434 -2.886 1.00 0.00 C ATOM 1763 O LYS B 27 -7.813 6.334 -2.038 1.00 0.00 O ATOM 1764 CB LYS B 27 -6.288 6.277 -4.675 1.00 0.00 C ATOM 1765 CG LYS B 27 -5.184 5.250 -4.498 1.00 0.00 C ATOM 1766 CD LYS B 27 -3.862 5.778 -5.027 1.00 0.00 C ATOM 1767 CE LYS B 27 -3.411 7.000 -4.253 1.00 0.00 C ATOM 1768 NZ LYS B 27 -2.296 7.718 -4.928 1.00 0.00 N ATOM 0 H LYS B 27 -8.768 7.535 -4.141 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.853 4.831 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -6.266 6.643 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.082 7.129 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.083 4.997 -3.443 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.449 4.332 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.102 4.999 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.964 6.030 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.254 7.679 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -3.094 6.698 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -1.955 8.485 -4.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -1.519 7.053 -5.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -2.634 8.118 -5.826 1.00 0.00 H new ATOM 1782 N GLU B 28 -8.019 4.155 -2.581 1.00 0.00 N ATOM 1783 CA GLU B 28 -8.244 3.721 -1.211 1.00 0.00 C ATOM 1784 C GLU B 28 -7.729 2.304 -0.991 1.00 0.00 C ATOM 1785 O GLU B 28 -7.162 1.691 -1.896 1.00 0.00 O ATOM 1786 CB GLU B 28 -9.732 3.795 -0.866 1.00 0.00 C ATOM 1787 CG GLU B 28 -10.637 3.065 -1.844 1.00 0.00 C ATOM 1788 CD GLU B 28 -12.093 3.136 -1.438 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -12.607 4.259 -1.259 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -12.729 2.070 -1.302 1.00 0.00 O ATOM 0 H GLU B 28 -8.008 3.399 -3.266 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.691 4.392 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -9.883 3.380 0.130 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -10.032 4.842 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.517 3.496 -2.838 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.331 2.021 -1.910 1.00 0.00 H new ATOM 1797 N ILE B 29 -7.916 1.802 0.225 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.488 0.458 0.575 1.00 0.00 C ATOM 1799 C ILE B 29 -8.668 -0.333 1.137 1.00 0.00 C ATOM 1800 O ILE B 29 -9.392 0.151 2.015 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.335 0.486 1.602 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -5.214 1.406 1.103 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -5.805 -0.923 1.841 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -4.064 1.563 2.072 1.00 0.00 C ATOM 0 H ILE B 29 -8.364 2.311 0.987 1.00 0.00 H new ATOM 0 HA ILE B 29 -7.122 -0.028 -0.330 1.00 0.00 H new ATOM 0 HB ILE B 29 -6.712 0.875 2.548 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.830 1.014 0.161 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.633 2.390 0.892 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -4.993 -0.888 2.567 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -6.607 -1.553 2.224 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.435 -1.337 0.903 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.315 2.229 1.643 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -4.431 1.985 3.007 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -3.615 0.589 2.265 1.00 0.00 H new ATOM 1816 N ASN B 30 -8.862 -1.536 0.623 1.00 0.00 N ATOM 1817 CA ASN B 30 -10.009 -2.359 0.984 1.00 0.00 C ATOM 1818 C ASN B 30 -9.593 -3.800 1.262 1.00 0.00 C ATOM 1819 O ASN B 30 -8.433 -4.165 1.093 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.053 -2.321 -0.139 1.00 0.00 C ATOM 1821 CG ASN B 30 -10.436 -2.401 -1.527 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -10.162 -1.381 -2.154 1.00 0.00 O ATOM 1823 ND2 ASN B 30 -10.207 -3.610 -2.015 1.00 0.00 N ATOM 0 H ASN B 30 -8.234 -1.970 -0.053 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.443 -1.952 1.897 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -11.749 -3.150 -0.009 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -11.633 -1.402 -0.058 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -9.790 -3.716 -2.940 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -10.447 -4.435 -1.466 1.00 0.00 H new ATOM 1830 N ARG B 31 -10.548 -4.606 1.712 1.00 0.00 N ATOM 1831 CA ARG B 31 -10.325 -6.033 1.918 1.00 0.00 C ATOM 1832 C ARG B 31 -11.154 -6.845 0.927 1.00 0.00 C ATOM 1833 O ARG B 31 -12.359 -6.626 0.783 1.00 0.00 O ATOM 1834 CB ARG B 31 -10.670 -6.445 3.353 1.00 0.00 C ATOM 1835 CG ARG B 31 -9.698 -5.917 4.397 1.00 0.00 C ATOM 1836 CD ARG B 31 -10.056 -6.398 5.796 1.00 0.00 C ATOM 1837 NE ARG B 31 -10.051 -7.859 5.899 1.00 0.00 N ATOM 1838 CZ ARG B 31 -9.563 -8.539 6.942 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -9.056 -7.896 7.984 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -9.598 -9.865 6.942 1.00 0.00 N ATOM 0 H ARG B 31 -11.491 -4.293 1.943 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.267 -6.236 1.751 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -11.672 -6.089 3.592 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -10.695 -7.533 3.412 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -8.687 -6.240 4.149 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -9.698 -4.827 4.376 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -9.348 -5.983 6.513 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -11.042 -6.020 6.067 1.00 0.00 H new ATOM 0 HE ARG B 31 -10.446 -8.393 5.125 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -9.036 -6.876 7.994 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -8.685 -8.421 8.776 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -9.997 -10.365 6.147 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -9.226 -10.385 7.737 1.00 0.00 H new ATOM 1854 N VAL B 32 -10.501 -7.776 0.244 1.00 0.00 N ATOM 1855 CA VAL B 32 -11.152 -8.577 -0.786 1.00 0.00 C ATOM 1856 C VAL B 32 -11.050 -10.064 -0.466 1.00 0.00 C ATOM 1857 O VAL B 32 -9.955 -10.583 -0.247 1.00 0.00 O ATOM 1858 CB VAL B 32 -10.531 -8.321 -2.178 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -11.291 -9.077 -3.255 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -10.499 -6.834 -2.489 1.00 0.00 C ATOM 0 H VAL B 32 -9.515 -7.996 0.385 1.00 0.00 H new ATOM 0 HA VAL B 32 -12.200 -8.279 -0.804 1.00 0.00 H new ATOM 0 HB VAL B 32 -9.505 -8.688 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -10.836 -8.882 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -11.253 -10.146 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -12.330 -8.746 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -10.058 -6.678 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -11.515 -6.438 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -9.901 -6.318 -1.738 1.00 0.00 H new ATOM 1870 N SER B 33 -12.191 -10.736 -0.420 1.00 0.00 N ATOM 1871 CA SER B 33 -12.225 -12.173 -0.200 1.00 0.00 C ATOM 1872 C SER B 33 -11.972 -12.906 -1.513 1.00 0.00 C ATOM 1873 O SER B 33 -12.432 -12.471 -2.570 1.00 0.00 O ATOM 1874 CB SER B 33 -13.585 -12.577 0.374 1.00 0.00 C ATOM 1875 OG SER B 33 -13.901 -11.810 1.522 1.00 0.00 O ATOM 0 H SER B 33 -13.109 -10.306 -0.533 1.00 0.00 H new ATOM 0 HA SER B 33 -11.445 -12.445 0.511 1.00 0.00 H new ATOM 0 HB2 SER B 33 -14.358 -12.441 -0.383 1.00 0.00 H new ATOM 0 HB3 SER B 33 -13.575 -13.636 0.632 1.00 0.00 H new ATOM 0 HG SER B 33 -14.586 -12.274 2.047 1.00 0.00 H new ATOM 1881 N PHE B 34 -11.247 -14.015 -1.446 1.00 0.00 N ATOM 1882 CA PHE B 34 -10.900 -14.770 -2.643 1.00 0.00 C ATOM 1883 C PHE B 34 -11.431 -16.197 -2.566 1.00 0.00 C ATOM 1884 O PHE B 34 -10.900 -17.024 -1.826 1.00 0.00 O ATOM 1885 CB PHE B 34 -9.383 -14.785 -2.848 1.00 0.00 C ATOM 1886 CG PHE B 34 -8.791 -13.421 -3.076 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -8.955 -12.778 -4.293 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -8.075 -12.785 -2.075 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -8.415 -11.524 -4.505 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -7.532 -11.532 -2.284 1.00 0.00 C ATOM 1891 CZ PHE B 34 -7.702 -10.900 -3.501 1.00 0.00 C ATOM 0 H PHE B 34 -10.888 -14.411 -0.577 1.00 0.00 H new ATOM 0 HA PHE B 34 -11.367 -14.276 -3.495 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -8.911 -15.235 -1.974 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -9.147 -15.421 -3.701 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -9.510 -13.262 -5.083 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -7.940 -13.274 -1.121 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -8.551 -11.032 -5.457 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -6.975 -11.047 -1.496 1.00 0.00 H new ATOM 0 HZ PHE B 34 -7.278 -9.920 -3.666 1.00 0.00 H new ATOM 1901 N ASN B 35 -12.484 -16.467 -3.336 1.00 0.00 N ATOM 1902 CA ASN B 35 -13.119 -17.787 -3.396 1.00 0.00 C ATOM 1903 C ASN B 35 -13.665 -18.200 -2.031 1.00 0.00 C ATOM 1904 O ASN B 35 -14.796 -17.868 -1.681 1.00 0.00 O ATOM 1905 CB ASN B 35 -12.150 -18.858 -3.927 1.00 0.00 C ATOM 1906 CG ASN B 35 -11.646 -18.554 -5.326 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -12.290 -18.896 -6.316 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -10.483 -17.929 -5.415 1.00 0.00 N ATOM 0 H ASN B 35 -12.925 -15.773 -3.940 1.00 0.00 H new ATOM 0 HA ASN B 35 -13.953 -17.709 -4.093 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -11.300 -18.940 -3.250 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -12.651 -19.826 -3.929 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -10.089 -17.714 -6.331 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -9.981 -17.663 -4.568 1.00 0.00 H new ATOM 1915 N GLY B 36 -12.852 -18.909 -1.262 1.00 0.00 N ATOM 1916 CA GLY B 36 -13.251 -19.316 0.066 1.00 0.00 C ATOM 1917 C GLY B 36 -12.191 -18.971 1.087 1.00 0.00 C ATOM 1918 O GLY B 36 -12.155 -19.538 2.181 1.00 0.00 O ATOM 0 H GLY B 36 -11.917 -19.211 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -14.188 -18.828 0.332 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -13.436 -20.390 0.079 1.00 0.00 H new ATOM 1922 N ALA B 37 -11.313 -18.053 0.716 1.00 0.00 N ATOM 1923 CA ALA B 37 -10.242 -17.608 1.593 1.00 0.00 C ATOM 1924 C ALA B 37 -10.603 -16.267 2.218 1.00 0.00 C ATOM 1925 O ALA B 37 -11.334 -15.480 1.613 1.00 0.00 O ATOM 1926 CB ALA B 37 -8.933 -17.505 0.815 1.00 0.00 C ATOM 0 H ALA B 37 -11.322 -17.597 -0.197 1.00 0.00 H new ATOM 0 HA ALA B 37 -10.110 -18.338 2.392 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -8.138 -17.171 1.482 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -8.676 -18.482 0.405 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -9.049 -16.789 0.001 1.00 0.00 H new ATOM 1932 N PRO B 38 -10.105 -15.999 3.438 1.00 0.00 N ATOM 1933 CA PRO B 38 -10.370 -14.748 4.156 1.00 0.00 C ATOM 1934 C PRO B 38 -10.029 -13.514 3.326 1.00 0.00 C ATOM 1935 O PRO B 38 -9.118 -13.539 2.495 1.00 0.00 O ATOM 1936 CB PRO B 38 -9.459 -14.826 5.390 1.00 0.00 C ATOM 1937 CG PRO B 38 -8.510 -15.945 5.118 1.00 0.00 C ATOM 1938 CD PRO B 38 -9.245 -16.895 4.221 1.00 0.00 C ATOM 0 HA PRO B 38 -11.428 -14.647 4.400 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.925 -13.888 5.543 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.038 -15.014 6.294 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.601 -15.580 4.640 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -8.208 -16.435 6.043 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -8.564 -17.461 3.585 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -9.827 -17.621 4.789 1.00 0.00 H new ATOM 1946 N ALA B 39 -10.772 -12.442 3.561 1.00 0.00 N ATOM 1947 CA ALA B 39 -10.568 -11.192 2.844 1.00 0.00 C ATOM 1948 C ALA B 39 -9.185 -10.623 3.123 1.00 0.00 C ATOM 1949 O ALA B 39 -8.851 -10.305 4.264 1.00 0.00 O ATOM 1950 CB ALA B 39 -11.640 -10.182 3.225 1.00 0.00 C ATOM 0 H ALA B 39 -11.526 -12.414 4.247 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.642 -11.398 1.776 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -11.474 -9.252 2.681 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -12.622 -10.581 2.971 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -11.593 -9.988 4.297 1.00 0.00 H new ATOM 1956 N LYS B 40 -8.383 -10.505 2.079 1.00 0.00 N ATOM 1957 CA LYS B 40 -7.043 -9.963 2.203 1.00 0.00 C ATOM 1958 C LYS B 40 -7.053 -8.471 1.892 1.00 0.00 C ATOM 1959 O LYS B 40 -8.079 -7.925 1.494 1.00 0.00 O ATOM 1960 CB LYS B 40 -6.083 -10.707 1.272 1.00 0.00 C ATOM 1961 CG LYS B 40 -5.944 -12.183 1.609 1.00 0.00 C ATOM 1962 CD LYS B 40 -5.002 -12.896 0.652 1.00 0.00 C ATOM 1963 CE LYS B 40 -4.807 -14.349 1.050 1.00 0.00 C ATOM 1964 NZ LYS B 40 -3.882 -15.062 0.130 1.00 0.00 N ATOM 0 H LYS B 40 -8.640 -10.779 1.131 1.00 0.00 H new ATOM 0 HA LYS B 40 -6.697 -10.099 3.228 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.433 -10.607 0.245 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.101 -10.236 1.321 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.575 -12.289 2.629 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -6.925 -12.657 1.574 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -5.402 -12.845 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -4.038 -12.387 0.641 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -4.415 -14.397 2.066 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -5.772 -14.855 1.057 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -3.778 -16.050 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -4.268 -15.040 -0.836 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -2.952 -14.596 0.142 1.00 0.00 H new ATOM 1978 N PHE B 41 -5.919 -7.818 2.063 1.00 0.00 N ATOM 1979 CA PHE B 41 -5.843 -6.375 1.890 1.00 0.00 C ATOM 1980 C PHE B 41 -5.470 -6.022 0.456 1.00 0.00 C ATOM 1981 O PHE B 41 -4.609 -6.659 -0.142 1.00 0.00 O ATOM 1982 CB PHE B 41 -4.824 -5.786 2.866 1.00 0.00 C ATOM 1983 CG PHE B 41 -5.147 -6.071 4.308 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -6.052 -5.283 4.995 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -4.552 -7.133 4.974 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -6.359 -5.542 6.317 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -4.856 -7.397 6.297 1.00 0.00 C ATOM 1988 CZ PHE B 41 -5.759 -6.602 6.969 1.00 0.00 C ATOM 0 H PHE B 41 -5.037 -8.261 2.321 1.00 0.00 H new ATOM 0 HA PHE B 41 -6.823 -5.948 2.100 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -3.837 -6.187 2.636 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -4.772 -4.707 2.719 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -6.526 -4.453 4.491 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -3.844 -7.760 4.453 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -7.067 -4.917 6.840 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -4.386 -8.227 6.804 1.00 0.00 H new ATOM 0 HZ PHE B 41 -5.997 -6.807 8.002 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.125 -5.014 -0.095 1.00 0.00 N ATOM 1999 CA ASP B 42 -5.891 -4.615 -1.475 1.00 0.00 C ATOM 2000 C ASP B 42 -5.976 -3.098 -1.616 1.00 0.00 C ATOM 2001 O ASP B 42 -6.960 -2.483 -1.205 1.00 0.00 O ATOM 2002 CB ASP B 42 -6.916 -5.296 -2.389 1.00 0.00 C ATOM 2003 CG ASP B 42 -6.703 -4.996 -3.862 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -5.758 -5.560 -4.461 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -7.501 -4.221 -4.436 1.00 0.00 O ATOM 0 H ASP B 42 -6.825 -4.455 0.393 1.00 0.00 H new ATOM 0 HA ASP B 42 -4.889 -4.927 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -6.870 -6.374 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -7.917 -4.976 -2.102 1.00 0.00 H new ATOM 2010 N ILE B 43 -4.928 -2.502 -2.163 1.00 0.00 N ATOM 2011 CA ILE B 43 -4.906 -1.067 -2.420 1.00 0.00 C ATOM 2012 C ILE B 43 -5.260 -0.824 -3.879 1.00 0.00 C ATOM 2013 O ILE B 43 -4.592 -1.347 -4.771 1.00 0.00 O ATOM 2014 CB ILE B 43 -3.520 -0.451 -2.125 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -3.048 -0.842 -0.722 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -3.570 1.066 -2.265 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -1.661 -0.337 -0.380 1.00 0.00 C ATOM 0 H ILE B 43 -4.077 -2.991 -2.439 1.00 0.00 H new ATOM 0 HA ILE B 43 -5.631 -0.592 -1.759 1.00 0.00 H new ATOM 0 HB ILE B 43 -2.808 -0.842 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -3.756 -0.455 0.010 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -3.061 -1.928 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -2.586 1.484 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -3.865 1.328 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -4.295 1.473 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -1.397 -0.654 0.629 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -0.940 -0.745 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -1.647 0.752 -0.434 1.00 0.00 H new ATOM 2029 N ARG B 44 -6.295 -0.037 -4.129 1.00 0.00 N ATOM 2030 CA ARG B 44 -6.832 0.069 -5.474 1.00 0.00 C ATOM 2031 C ARG B 44 -7.209 1.503 -5.826 1.00 0.00 C ATOM 2032 O ARG B 44 -7.616 2.288 -4.965 1.00 0.00 O ATOM 2033 CB ARG B 44 -8.052 -0.840 -5.585 1.00 0.00 C ATOM 2034 CG ARG B 44 -8.111 -1.652 -6.869 1.00 0.00 C ATOM 2035 CD ARG B 44 -9.189 -2.716 -6.779 1.00 0.00 C ATOM 2036 NE ARG B 44 -9.180 -3.620 -7.925 1.00 0.00 N ATOM 2037 CZ ARG B 44 -8.744 -4.878 -7.867 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -8.170 -5.341 -6.762 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -8.854 -5.665 -8.928 1.00 0.00 N ATOM 0 H ARG B 44 -6.773 0.530 -3.429 1.00 0.00 H new ATOM 0 HA ARG B 44 -6.062 -0.240 -6.181 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -8.060 -1.523 -4.736 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -8.953 -0.231 -5.512 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -8.313 -0.993 -7.713 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -7.144 -2.121 -7.054 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -9.050 -3.293 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -10.165 -2.235 -6.708 1.00 0.00 H new ATOM 0 HE ARG B 44 -9.526 -3.270 -8.818 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -8.061 -4.733 -5.951 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -7.839 -6.305 -6.725 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -9.272 -5.307 -9.787 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -8.521 -6.628 -8.885 1.00 0.00 H new ATOM 2053 N ALA B 45 -7.049 1.841 -7.099 1.00 0.00 N ATOM 2054 CA ALA B 45 -7.483 3.126 -7.616 1.00 0.00 C ATOM 2055 C ALA B 45 -8.613 2.923 -8.619 1.00 0.00 C ATOM 2056 O ALA B 45 -8.560 2.016 -9.451 1.00 0.00 O ATOM 2057 CB ALA B 45 -6.319 3.864 -8.259 1.00 0.00 C ATOM 0 H ALA B 45 -6.617 1.234 -7.796 1.00 0.00 H new ATOM 0 HA ALA B 45 -7.851 3.734 -6.790 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.664 4.825 -8.641 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -5.537 4.028 -7.517 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -5.920 3.269 -9.081 1.00 0.00 H new ATOM 2063 N TRP B 46 -9.630 3.763 -8.533 1.00 0.00 N ATOM 2064 CA TRP B 46 -10.818 3.606 -9.353 1.00 0.00 C ATOM 2065 C TRP B 46 -10.891 4.679 -10.432 1.00 0.00 C ATOM 2066 O TRP B 46 -10.620 5.858 -10.173 1.00 0.00 O ATOM 2067 CB TRP B 46 -12.071 3.655 -8.479 1.00 0.00 C ATOM 2068 CG TRP B 46 -12.056 2.659 -7.359 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -11.824 2.916 -6.038 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -12.269 1.247 -7.460 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -11.885 1.752 -5.313 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -12.157 0.714 -6.161 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -12.548 0.381 -8.521 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -12.314 -0.643 -5.896 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -12.702 -0.966 -8.257 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -12.587 -1.466 -6.953 1.00 0.00 C ATOM 0 H TRP B 46 -9.656 4.563 -7.901 1.00 0.00 H new ATOM 0 HA TRP B 46 -10.761 2.635 -9.845 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -12.175 4.657 -8.063 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -12.947 3.476 -9.103 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -11.622 3.893 -5.624 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -11.749 1.674 -4.305 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -12.641 0.758 -9.529 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -12.224 -1.032 -4.892 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -12.915 -1.645 -9.069 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -12.717 -2.524 -6.779 1.00 0.00 H new ATOM 2087 N SER B 47 -11.257 4.254 -11.634 1.00 0.00 N ATOM 2088 CA SER B 47 -11.374 5.146 -12.778 1.00 0.00 C ATOM 2089 C SER B 47 -12.832 5.552 -12.985 1.00 0.00 C ATOM 2090 O SER B 47 -13.729 4.707 -12.950 1.00 0.00 O ATOM 2091 CB SER B 47 -10.837 4.447 -14.033 1.00 0.00 C ATOM 2092 OG SER B 47 -10.940 5.268 -15.188 1.00 0.00 O ATOM 0 H SER B 47 -11.481 3.281 -11.843 1.00 0.00 H new ATOM 0 HA SER B 47 -10.787 6.045 -12.590 1.00 0.00 H new ATOM 0 HB2 SER B 47 -9.794 4.172 -13.876 1.00 0.00 H new ATOM 0 HB3 SER B 47 -11.389 3.522 -14.196 1.00 0.00 H new ATOM 0 HG SER B 47 -10.586 4.786 -15.964 1.00 0.00 H new ATOM 2202 N LYS B 55 -2.891 1.971 -11.108 1.00 0.00 N ATOM 2203 CA LYS B 55 -2.089 1.022 -10.340 1.00 0.00 C ATOM 2204 C LYS B 55 -2.902 0.334 -9.238 1.00 0.00 C ATOM 2205 O LYS B 55 -4.121 0.498 -9.151 1.00 0.00 O ATOM 2206 CB LYS B 55 -0.859 1.717 -9.756 1.00 0.00 C ATOM 2207 CG LYS B 55 0.206 2.044 -10.791 1.00 0.00 C ATOM 2208 CD LYS B 55 1.348 2.825 -10.173 1.00 0.00 C ATOM 2209 CE LYS B 55 2.546 2.911 -11.106 1.00 0.00 C ATOM 2210 NZ LYS B 55 2.226 3.618 -12.376 1.00 0.00 N ATOM 0 HA LYS B 55 -1.761 0.241 -11.026 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -1.172 2.639 -9.266 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -0.423 1.079 -8.987 1.00 0.00 H new ATOM 0 HG2 LYS B 55 0.587 1.121 -11.228 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -0.237 2.622 -11.602 1.00 0.00 H new ATOM 0 HD2 LYS B 55 1.008 3.830 -9.925 1.00 0.00 H new ATOM 0 HD3 LYS B 55 1.649 2.351 -9.239 1.00 0.00 H new ATOM 0 HE2 LYS B 55 3.361 3.429 -10.600 1.00 0.00 H new ATOM 0 HE3 LYS B 55 2.900 1.905 -11.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 3.086 3.696 -12.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 1.503 3.083 -12.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 1.865 4.570 -12.162 1.00 0.00 H new ATOM 2224 N GLY B 56 -2.217 -0.452 -8.416 1.00 0.00 N ATOM 2225 CA GLY B 56 -2.875 -1.203 -7.365 1.00 0.00 C ATOM 2226 C GLY B 56 -2.004 -2.341 -6.867 1.00 0.00 C ATOM 2227 O GLY B 56 -1.113 -2.800 -7.588 1.00 0.00 O ATOM 0 H GLY B 56 -1.206 -0.583 -8.461 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -3.115 -0.537 -6.536 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -3.819 -1.602 -7.737 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.244 -2.794 -5.645 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.429 -3.853 -5.056 1.00 0.00 C ATOM 2233 C ILE B 57 -2.167 -4.576 -3.929 1.00 0.00 C ATOM 2234 O ILE B 57 -2.775 -3.950 -3.062 1.00 0.00 O ATOM 2235 CB ILE B 57 -0.079 -3.299 -4.524 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.739 -4.415 -3.865 1.00 0.00 C ATOM 2237 CG2 ILE B 57 -0.307 -2.152 -3.547 1.00 0.00 C ATOM 2238 CD1 ILE B 57 2.070 -3.956 -3.309 1.00 0.00 C ATOM 0 H ILE B 57 -2.991 -2.449 -5.043 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.227 -4.570 -5.852 1.00 0.00 H new ATOM 0 HB ILE B 57 0.486 -2.912 -5.372 1.00 0.00 H new ATOM 0 HG12 ILE B 57 0.152 -4.854 -3.058 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.915 -5.203 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.654 -1.782 -3.189 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -0.841 -1.346 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -0.897 -2.506 -2.702 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.588 -4.803 -2.860 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.678 -3.544 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE B 57 1.903 -3.190 -2.552 1.00 0.00 H new ATOM 2250 N THR B 58 -2.112 -5.902 -3.957 1.00 0.00 N ATOM 2251 CA THR B 58 -2.708 -6.729 -2.918 1.00 0.00 C ATOM 2252 C THR B 58 -1.651 -7.109 -1.876 1.00 0.00 C ATOM 2253 O THR B 58 -0.475 -7.284 -2.214 1.00 0.00 O ATOM 2254 CB THR B 58 -3.315 -8.005 -3.535 1.00 0.00 C ATOM 2255 OG1 THR B 58 -4.090 -7.652 -4.686 1.00 0.00 O ATOM 2256 CG2 THR B 58 -4.199 -8.745 -2.539 1.00 0.00 C ATOM 0 H THR B 58 -1.654 -6.432 -4.699 1.00 0.00 H new ATOM 0 HA THR B 58 -3.500 -6.160 -2.431 1.00 0.00 H new ATOM 0 HB THR B 58 -2.496 -8.667 -3.816 1.00 0.00 H new ATOM 0 HG1 THR B 58 -4.582 -6.824 -4.507 1.00 0.00 H new ATOM 0 HG21 THR B 58 -4.609 -9.639 -3.010 1.00 0.00 H new ATOM 0 HG22 THR B 58 -3.607 -9.032 -1.670 1.00 0.00 H new ATOM 0 HG23 THR B 58 -5.015 -8.095 -2.223 1.00 0.00 H new ATOM 2264 N LEU B 59 -2.059 -7.197 -0.615 1.00 0.00 N ATOM 2265 CA LEU B 59 -1.154 -7.551 0.474 1.00 0.00 C ATOM 2266 C LEU B 59 -1.807 -8.572 1.404 1.00 0.00 C ATOM 2267 O LEU B 59 -3.025 -8.562 1.594 1.00 0.00 O ATOM 2268 CB LEU B 59 -0.761 -6.312 1.293 1.00 0.00 C ATOM 2269 CG LEU B 59 -0.128 -5.156 0.508 1.00 0.00 C ATOM 2270 CD1 LEU B 59 -1.193 -4.223 -0.045 1.00 0.00 C ATOM 2271 CD2 LEU B 59 0.839 -4.390 1.392 1.00 0.00 C ATOM 0 H LEU B 59 -3.020 -7.026 -0.319 1.00 0.00 H new ATOM 0 HA LEU B 59 -0.258 -7.982 0.026 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.652 -5.937 1.797 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -0.062 -6.622 2.070 1.00 0.00 H new ATOM 0 HG LEU B 59 0.421 -5.577 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -0.716 -3.413 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -1.852 -4.778 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -1.776 -3.808 0.777 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.282 -3.572 0.824 1.00 0.00 H new ATOM 0 HD22 LEU B 59 0.304 -3.987 2.252 1.00 0.00 H new ATOM 0 HD23 LEU B 59 1.626 -5.060 1.736 1.00 0.00 H new ATOM 2283 N SER B 60 -0.999 -9.452 1.977 1.00 0.00 N ATOM 2284 CA SER B 60 -1.494 -10.410 2.950 1.00 0.00 C ATOM 2285 C SER B 60 -1.564 -9.760 4.328 1.00 0.00 C ATOM 2286 O SER B 60 -0.972 -8.705 4.554 1.00 0.00 O ATOM 2287 CB SER B 60 -0.591 -11.645 2.993 1.00 0.00 C ATOM 2288 OG SER B 60 -0.291 -12.101 1.684 1.00 0.00 O ATOM 0 H SER B 60 0.000 -9.521 1.784 1.00 0.00 H new ATOM 0 HA SER B 60 -2.495 -10.725 2.654 1.00 0.00 H new ATOM 0 HB2 SER B 60 0.333 -11.406 3.519 1.00 0.00 H new ATOM 0 HB3 SER B 60 -1.082 -12.439 3.555 1.00 0.00 H new ATOM 0 HG SER B 60 0.478 -11.605 1.333 1.00 0.00 H new ATOM 2294 N ASN B 61 -2.278 -10.401 5.246 1.00 0.00 N ATOM 2295 CA ASN B 61 -2.483 -9.859 6.588 1.00 0.00 C ATOM 2296 C ASN B 61 -1.164 -9.589 7.314 1.00 0.00 C ATOM 2297 O ASN B 61 -0.966 -8.508 7.861 1.00 0.00 O ATOM 2298 CB ASN B 61 -3.374 -10.789 7.428 1.00 0.00 C ATOM 2299 CG ASN B 61 -3.049 -12.269 7.269 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -1.919 -12.656 6.958 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -4.044 -13.113 7.491 1.00 0.00 N ATOM 0 H ASN B 61 -2.728 -11.302 5.086 1.00 0.00 H new ATOM 0 HA ASN B 61 -2.990 -8.902 6.465 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -3.276 -10.517 8.479 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -4.415 -10.625 7.152 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -3.889 -14.118 7.407 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -4.966 -12.759 7.746 1.00 0.00 H new ATOM 2308 N GLU B 62 -0.263 -10.560 7.304 1.00 0.00 N ATOM 2309 CA GLU B 62 1.010 -10.423 8.000 1.00 0.00 C ATOM 2310 C GLU B 62 1.898 -9.378 7.324 1.00 0.00 C ATOM 2311 O GLU B 62 2.573 -8.599 8.000 1.00 0.00 O ATOM 2312 CB GLU B 62 1.721 -11.772 8.074 1.00 0.00 C ATOM 2313 CG GLU B 62 2.973 -11.755 8.932 1.00 0.00 C ATOM 2314 CD GLU B 62 3.501 -13.143 9.199 1.00 0.00 C ATOM 2315 OE1 GLU B 62 4.261 -13.666 8.362 1.00 0.00 O ATOM 2316 OE2 GLU B 62 3.143 -13.728 10.241 1.00 0.00 O ATOM 0 H GLU B 62 -0.388 -11.451 6.823 1.00 0.00 H new ATOM 0 HA GLU B 62 0.808 -10.080 9.015 1.00 0.00 H new ATOM 0 HB2 GLU B 62 1.030 -12.516 8.470 1.00 0.00 H new ATOM 0 HB3 GLU B 62 1.987 -12.089 7.065 1.00 0.00 H new ATOM 0 HG2 GLU B 62 3.743 -11.165 8.436 1.00 0.00 H new ATOM 0 HG3 GLU B 62 2.755 -11.263 9.880 1.00 0.00 H new ATOM 2323 N GLU B 63 1.887 -9.354 5.994 1.00 0.00 N ATOM 2324 CA GLU B 63 2.635 -8.351 5.237 1.00 0.00 C ATOM 2325 C GLU B 63 2.136 -6.954 5.606 1.00 0.00 C ATOM 2326 O GLU B 63 2.921 -6.027 5.841 1.00 0.00 O ATOM 2327 CB GLU B 63 2.464 -8.586 3.727 1.00 0.00 C ATOM 2328 CG GLU B 63 2.826 -9.997 3.276 1.00 0.00 C ATOM 2329 CD GLU B 63 2.658 -10.201 1.780 1.00 0.00 C ATOM 2330 OE1 GLU B 63 1.507 -10.174 1.293 1.00 0.00 O ATOM 2331 OE2 GLU B 63 3.670 -10.395 1.082 1.00 0.00 O ATOM 0 H GLU B 63 1.369 -10.017 5.417 1.00 0.00 H new ATOM 0 HA GLU B 63 3.693 -8.435 5.486 1.00 0.00 H new ATOM 0 HB2 GLU B 63 1.429 -8.382 3.452 1.00 0.00 H new ATOM 0 HB3 GLU B 63 3.084 -7.872 3.186 1.00 0.00 H new ATOM 0 HG2 GLU B 63 3.859 -10.208 3.552 1.00 0.00 H new ATOM 0 HG3 GLU B 63 2.201 -10.715 3.808 1.00 0.00 H new ATOM 2338 N PHE B 64 0.817 -6.833 5.684 1.00 0.00 N ATOM 2339 CA PHE B 64 0.160 -5.593 6.063 1.00 0.00 C ATOM 2340 C PHE B 64 0.528 -5.213 7.494 1.00 0.00 C ATOM 2341 O PHE B 64 0.947 -4.088 7.759 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.351 -5.769 5.930 1.00 0.00 C ATOM 2343 CG PHE B 64 -2.105 -4.497 5.695 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.174 -3.951 4.424 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -2.764 -3.859 6.733 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -2.884 -2.793 4.191 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -3.473 -2.696 6.505 1.00 0.00 C ATOM 2348 CZ PHE B 64 -3.536 -2.164 5.231 1.00 0.00 C ATOM 0 H PHE B 64 0.171 -7.597 5.485 1.00 0.00 H new ATOM 0 HA PHE B 64 0.491 -4.790 5.404 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -1.553 -6.454 5.107 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -1.731 -6.240 6.837 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -1.665 -4.439 3.606 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -2.723 -4.275 7.729 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -2.930 -2.378 3.195 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -3.978 -2.202 7.322 1.00 0.00 H new ATOM 0 HZ PHE B 64 -4.095 -1.258 5.050 1.00 0.00 H new ATOM 2358 N GLN B 65 0.385 -6.173 8.404 1.00 0.00 N ATOM 2359 CA GLN B 65 0.741 -5.983 9.810 1.00 0.00 C ATOM 2360 C GLN B 65 2.175 -5.476 9.949 1.00 0.00 C ATOM 2361 O GLN B 65 2.464 -4.616 10.782 1.00 0.00 O ATOM 2362 CB GLN B 65 0.582 -7.308 10.565 1.00 0.00 C ATOM 2363 CG GLN B 65 0.866 -7.214 12.058 1.00 0.00 C ATOM 2364 CD GLN B 65 -0.176 -6.406 12.807 1.00 0.00 C ATOM 2365 OE1 GLN B 65 -1.349 -6.376 12.431 1.00 0.00 O ATOM 2366 NE2 GLN B 65 0.242 -5.756 13.879 1.00 0.00 N ATOM 0 H GLN B 65 0.021 -7.101 8.190 1.00 0.00 H new ATOM 0 HA GLN B 65 0.073 -5.235 10.237 1.00 0.00 H new ATOM 0 HB2 GLN B 65 -0.435 -7.675 10.422 1.00 0.00 H new ATOM 0 HB3 GLN B 65 1.252 -8.047 10.125 1.00 0.00 H new ATOM 0 HG2 GLN B 65 0.910 -8.219 12.478 1.00 0.00 H new ATOM 0 HG3 GLN B 65 1.846 -6.762 12.209 1.00 0.00 H new ATOM 0 HE21 GLN B 65 1.222 -5.807 14.156 1.00 0.00 H new ATOM 0 HE22 GLN B 65 -0.416 -5.203 14.429 1.00 0.00 H new ATOM 2375 N THR B 66 3.064 -6.008 9.116 1.00 0.00 N ATOM 2376 CA THR B 66 4.472 -5.633 9.144 1.00 0.00 C ATOM 2377 C THR B 66 4.657 -4.141 8.856 1.00 0.00 C ATOM 2378 O THR B 66 5.357 -3.436 9.591 1.00 0.00 O ATOM 2379 CB THR B 66 5.280 -6.456 8.118 1.00 0.00 C ATOM 2380 OG1 THR B 66 5.101 -7.862 8.364 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.763 -6.117 8.182 1.00 0.00 C ATOM 0 H THR B 66 2.831 -6.705 8.409 1.00 0.00 H new ATOM 0 HA THR B 66 4.842 -5.845 10.147 1.00 0.00 H new ATOM 0 HB THR B 66 4.911 -6.205 7.124 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.195 -8.127 8.102 1.00 0.00 H new ATOM 0 HG21 THR B 66 7.305 -6.713 7.448 1.00 0.00 H new ATOM 0 HG22 THR B 66 6.904 -5.058 7.965 1.00 0.00 H new ATOM 0 HG23 THR B 66 7.144 -6.337 9.179 1.00 0.00 H new ATOM 2389 N MET B 67 4.018 -3.654 7.797 1.00 0.00 N ATOM 2390 CA MET B 67 4.189 -2.263 7.401 1.00 0.00 C ATOM 2391 C MET B 67 3.475 -1.320 8.373 1.00 0.00 C ATOM 2392 O MET B 67 3.930 -0.202 8.602 1.00 0.00 O ATOM 2393 CB MET B 67 3.732 -2.038 5.947 1.00 0.00 C ATOM 2394 CG MET B 67 2.227 -2.078 5.720 1.00 0.00 C ATOM 2395 SD MET B 67 1.429 -0.500 6.069 1.00 0.00 S ATOM 2396 CE MET B 67 -0.241 -0.848 5.532 1.00 0.00 C ATOM 0 H MET B 67 3.386 -4.194 7.206 1.00 0.00 H new ATOM 0 HA MET B 67 5.253 -2.030 7.446 1.00 0.00 H new ATOM 0 HB2 MET B 67 4.107 -1.071 5.612 1.00 0.00 H new ATOM 0 HB3 MET B 67 4.197 -2.796 5.317 1.00 0.00 H new ATOM 0 HG2 MET B 67 2.027 -2.361 4.687 1.00 0.00 H new ATOM 0 HG3 MET B 67 1.789 -2.850 6.352 1.00 0.00 H new ATOM 0 HE1 MET B 67 -0.595 -0.037 4.895 1.00 0.00 H new ATOM 0 HE2 MET B 67 -0.256 -1.783 4.972 1.00 0.00 H new ATOM 0 HE3 MET B 67 -0.892 -0.936 6.402 1.00 0.00 H new ATOM 2406 N VAL B 68 2.377 -1.789 8.967 1.00 0.00 N ATOM 2407 CA VAL B 68 1.633 -0.992 9.944 1.00 0.00 C ATOM 2408 C VAL B 68 2.501 -0.688 11.163 1.00 0.00 C ATOM 2409 O VAL B 68 2.535 0.445 11.636 1.00 0.00 O ATOM 2410 CB VAL B 68 0.334 -1.697 10.390 1.00 0.00 C ATOM 2411 CG1 VAL B 68 -0.339 -0.942 11.527 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -0.616 -1.835 9.214 1.00 0.00 C ATOM 0 H VAL B 68 1.984 -2.713 8.790 1.00 0.00 H new ATOM 0 HA VAL B 68 1.359 -0.057 9.455 1.00 0.00 H new ATOM 0 HB VAL B 68 0.595 -2.690 10.755 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -1.251 -1.462 11.820 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.338 -0.889 12.380 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.587 0.067 11.197 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -1.529 -2.334 9.540 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -0.861 -0.846 8.826 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -0.141 -2.424 8.430 1.00 0.00 H new ATOM 2422 N ASP B 69 3.212 -1.700 11.655 1.00 0.00 N ATOM 2423 CA ASP B 69 4.115 -1.520 12.793 1.00 0.00 C ATOM 2424 C ASP B 69 5.195 -0.497 12.465 1.00 0.00 C ATOM 2425 O ASP B 69 5.463 0.426 13.245 1.00 0.00 O ATOM 2426 CB ASP B 69 4.773 -2.849 13.194 1.00 0.00 C ATOM 2427 CG ASP B 69 5.839 -2.661 14.263 1.00 0.00 C ATOM 2428 OD1 ASP B 69 5.498 -2.689 15.463 1.00 0.00 O ATOM 2429 OD2 ASP B 69 7.022 -2.465 13.907 1.00 0.00 O ATOM 0 H ASP B 69 3.182 -2.651 11.286 1.00 0.00 H new ATOM 0 HA ASP B 69 3.519 -1.158 13.631 1.00 0.00 H new ATOM 0 HB2 ASP B 69 4.009 -3.535 13.561 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.220 -3.311 12.314 1.00 0.00 H new ATOM 2434 N ALA B 70 5.803 -0.660 11.297 1.00 0.00 N ATOM 2435 CA ALA B 70 6.881 0.216 10.862 1.00 0.00 C ATOM 2436 C ALA B 70 6.419 1.667 10.763 1.00 0.00 C ATOM 2437 O ALA B 70 7.082 2.571 11.267 1.00 0.00 O ATOM 2438 CB ALA B 70 7.429 -0.253 9.530 1.00 0.00 C ATOM 0 H ALA B 70 5.566 -1.395 10.631 1.00 0.00 H new ATOM 0 HA ALA B 70 7.672 0.170 11.611 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.235 0.410 9.214 1.00 0.00 H new ATOM 0 HB2 ALA B 70 7.813 -1.268 9.632 1.00 0.00 H new ATOM 0 HB3 ALA B 70 6.634 -0.239 8.784 1.00 0.00 H new ATOM 2444 N PHE B 71 5.272 1.880 10.130 1.00 0.00 N ATOM 2445 CA PHE B 71 4.744 3.228 9.955 1.00 0.00 C ATOM 2446 C PHE B 71 4.088 3.728 11.241 1.00 0.00 C ATOM 2447 O PHE B 71 3.729 4.890 11.357 1.00 0.00 O ATOM 2448 CB PHE B 71 3.756 3.275 8.785 1.00 0.00 C ATOM 2449 CG PHE B 71 4.385 2.968 7.454 1.00 0.00 C ATOM 2450 CD1 PHE B 71 5.632 3.480 7.121 1.00 0.00 C ATOM 2451 CD2 PHE B 71 3.726 2.173 6.532 1.00 0.00 C ATOM 2452 CE1 PHE B 71 6.205 3.203 5.895 1.00 0.00 C ATOM 2453 CE2 PHE B 71 4.296 1.894 5.306 1.00 0.00 C ATOM 2454 CZ PHE B 71 5.535 2.410 4.987 1.00 0.00 C ATOM 0 H PHE B 71 4.692 1.142 9.731 1.00 0.00 H new ATOM 0 HA PHE B 71 5.578 3.891 9.723 1.00 0.00 H new ATOM 0 HB2 PHE B 71 2.952 2.563 8.970 1.00 0.00 H new ATOM 0 HB3 PHE B 71 3.302 4.265 8.743 1.00 0.00 H new ATOM 0 HD1 PHE B 71 6.160 4.102 7.829 1.00 0.00 H new ATOM 0 HD2 PHE B 71 2.755 1.767 6.774 1.00 0.00 H new ATOM 0 HE1 PHE B 71 7.176 3.607 5.648 1.00 0.00 H new ATOM 0 HE2 PHE B 71 3.772 1.271 4.596 1.00 0.00 H new ATOM 0 HZ PHE B 71 5.980 2.193 4.027 1.00 0.00 H new ATOM 2464 N LYS B 72 3.929 2.843 12.208 1.00 0.00 N ATOM 2465 CA LYS B 72 3.468 3.245 13.528 1.00 0.00 C ATOM 2466 C LYS B 72 4.652 3.757 14.334 1.00 0.00 C ATOM 2467 O LYS B 72 4.495 4.519 15.290 1.00 0.00 O ATOM 2468 CB LYS B 72 2.790 2.068 14.236 1.00 0.00 C ATOM 2469 CG LYS B 72 2.264 2.382 15.629 1.00 0.00 C ATOM 2470 CD LYS B 72 1.430 1.230 16.169 1.00 0.00 C ATOM 2471 CE LYS B 72 0.864 1.545 17.542 1.00 0.00 C ATOM 2472 NZ LYS B 72 -0.006 0.448 18.043 1.00 0.00 N ATOM 0 H LYS B 72 4.111 1.844 12.107 1.00 0.00 H new ATOM 0 HA LYS B 72 2.732 4.043 13.432 1.00 0.00 H new ATOM 0 HB2 LYS B 72 1.961 1.719 13.620 1.00 0.00 H new ATOM 0 HB3 LYS B 72 3.502 1.246 14.308 1.00 0.00 H new ATOM 0 HG2 LYS B 72 3.099 2.578 16.302 1.00 0.00 H new ATOM 0 HG3 LYS B 72 1.661 3.289 15.598 1.00 0.00 H new ATOM 0 HD2 LYS B 72 0.614 1.016 15.479 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.044 0.331 16.225 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.682 1.710 18.244 1.00 0.00 H new ATOM 0 HE3 LYS B 72 0.291 2.471 17.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 -0.481 0.753 18.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 -0.720 0.215 17.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.574 -0.393 18.240 1.00 0.00 H new ATOM 2486 N GLY B 73 5.839 3.343 13.918 1.00 0.00 N ATOM 2487 CA GLY B 73 7.053 3.768 14.583 1.00 0.00 C ATOM 2488 C GLY B 73 7.566 5.111 14.088 1.00 0.00 C ATOM 2489 O GLY B 73 8.297 5.793 14.804 1.00 0.00 O ATOM 0 H GLY B 73 5.984 2.716 13.126 1.00 0.00 H new ATOM 0 HA2 GLY B 73 6.870 3.829 15.656 1.00 0.00 H new ATOM 0 HA3 GLY B 73 7.825 3.013 14.433 1.00 0.00 H new ATOM 2493 N ASN B 74 7.194 5.496 12.870 1.00 0.00 N ATOM 2494 CA ASN B 74 7.662 6.760 12.295 1.00 0.00 C ATOM 2495 C ASN B 74 6.738 7.234 11.172 1.00 0.00 C ATOM 2496 O ASN B 74 5.634 6.732 11.027 1.00 0.00 O ATOM 2497 CB ASN B 74 9.104 6.624 11.773 1.00 0.00 C ATOM 2498 CG ASN B 74 9.253 5.619 10.641 1.00 0.00 C ATOM 2499 OD1 ASN B 74 9.128 5.966 9.464 1.00 0.00 O ATOM 2500 ND2 ASN B 74 9.549 4.377 10.986 1.00 0.00 N ATOM 0 H ASN B 74 6.575 4.958 12.264 1.00 0.00 H new ATOM 0 HA ASN B 74 7.647 7.507 13.089 1.00 0.00 H new ATOM 0 HB2 ASN B 74 9.450 7.599 11.429 1.00 0.00 H new ATOM 0 HB3 ASN B 74 9.753 6.328 12.597 1.00 0.00 H new ATOM 0 HD21 ASN B 74 9.683 3.666 10.267 1.00 0.00 H new ATOM 0 HD22 ASN B 74 9.644 4.130 11.971 1.00 0.00 H new ATOM 2507 N LEU B 75 7.205 8.226 10.411 1.00 0.00 N ATOM 2508 CA LEU B 75 6.477 8.794 9.269 1.00 0.00 C ATOM 2509 C LEU B 75 5.319 9.689 9.718 1.00 0.00 C ATOM 2510 O LEU B 75 4.595 10.240 8.892 1.00 0.00 O ATOM 2511 CB LEU B 75 5.988 7.699 8.313 1.00 0.00 C ATOM 2512 CG LEU B 75 6.125 8.028 6.821 1.00 0.00 C ATOM 2513 CD1 LEU B 75 6.288 6.748 6.030 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.917 8.799 6.300 1.00 0.00 C ATOM 0 H LEU B 75 8.112 8.665 10.571 1.00 0.00 H new ATOM 0 HA LEU B 75 7.182 9.422 8.724 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.543 6.784 8.520 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.940 7.492 8.529 1.00 0.00 H new ATOM 0 HG LEU B 75 7.005 8.659 6.698 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.385 6.985 4.970 1.00 0.00 H new ATOM 0 HD12 LEU B 75 7.181 6.223 6.368 1.00 0.00 H new ATOM 0 HD13 LEU B 75 5.415 6.113 6.181 1.00 0.00 H new ATOM 0 HD21 LEU B 75 5.052 9.013 5.240 1.00 0.00 H new ATOM 0 HD22 LEU B 75 4.016 8.201 6.438 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.818 9.735 6.850 1.00 0.00 H new ATOM 2526 N GLU B 76 5.146 9.864 11.020 1.00 0.00 N ATOM 2527 CA GLU B 76 4.173 10.833 11.499 1.00 0.00 C ATOM 2528 C GLU B 76 4.798 12.225 11.547 1.00 0.00 C ATOM 2529 O GLU B 76 5.049 12.796 12.608 1.00 0.00 O ATOM 2530 CB GLU B 76 3.554 10.427 12.839 1.00 0.00 C ATOM 2531 CG GLU B 76 4.540 9.944 13.886 1.00 0.00 C ATOM 2532 CD GLU B 76 3.841 9.531 15.167 1.00 0.00 C ATOM 2533 OE1 GLU B 76 3.139 8.497 15.163 1.00 0.00 O ATOM 2534 OE2 GLU B 76 3.989 10.237 16.185 1.00 0.00 O ATOM 0 H GLU B 76 5.653 9.361 11.748 1.00 0.00 H new ATOM 0 HA GLU B 76 3.345 10.857 10.790 1.00 0.00 H new ATOM 0 HB2 GLU B 76 3.009 11.280 13.243 1.00 0.00 H new ATOM 0 HB3 GLU B 76 2.824 9.638 12.659 1.00 0.00 H new ATOM 0 HG2 GLU B 76 5.105 9.100 13.491 1.00 0.00 H new ATOM 0 HG3 GLU B 76 5.258 10.735 14.102 1.00 0.00 H new