USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 TYR OH : rot -138:sc= 1.18 USER MOD Set 1.2: A 80 MET CE :methyl 141:sc= -0.253 (180deg=-2.88!) USER MOD Set 2.1: A 38 SER OG : rot -80:sc= 1.09 USER MOD Set 2.2: A 70 LYS NZ :NH3+ -144:sc= 0.0353 (180deg=-0.28) USER MOD Single : A 14 ASN : amide:sc= -0.818 K(o=-0.82,f=-0.011) USER MOD Single : A 17 ASN : amide:sc= 0.359 X(o=0.36,f=0) USER MOD Single : A 19 THR OG1 : rot 76:sc= 0.162 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -46:sc= 0.195 USER MOD Single : A 27 SER OG : rot -23:sc= -0.821 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00196) USER MOD Single : A 39 THR OG1 : rot -73:sc= 0.576 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 54 SER OG : rot -80:sc= 0.296 USER MOD Single : A 56 ASN : amide:sc= -0.51 K(o=-0.51,f=-1.4!) USER MOD Single : A 57 TYR OH : rot -44:sc= 0.512 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -46:sc= 0.817 USER MOD Single : A 64 ASN : amide:sc= -2.13 K(o=-2.1,f=-0.31) USER MOD Single : A 66 ASN : amide:sc= -3.94 K(o=-3.9,f=-10!) USER MOD Single : A 72 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.047) USER MOD Single : A 73 ASN : amide:sc= -0.632 K(o=-0.63,f=-2.4!) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= -0.796 (180deg=-0.981) USER MOD Single : A 79 SER OG : rot 94:sc= 0.192 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.1!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot -84:sc= -0.677 USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 11.889 3.639 7.646 1.00 0.00 N ATOM 93 CA ASP A 10 11.850 4.811 6.779 1.00 0.00 C ATOM 94 C ASP A 10 11.725 4.399 5.315 1.00 0.00 C ATOM 95 O ASP A 10 11.020 5.042 4.537 1.00 0.00 O ATOM 96 CB ASP A 10 13.104 5.662 6.977 1.00 0.00 C ATOM 97 CG ASP A 10 13.164 6.292 8.355 1.00 0.00 C ATOM 98 OD1 ASP A 10 12.248 7.072 8.691 1.00 0.00 O ATOM 99 OD2 ASP A 10 14.126 6.006 9.097 1.00 0.00 O ATOM 0 HA ASP A 10 10.975 5.402 7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.988 5.042 6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.131 6.446 6.221 1.00 0.00 H new ATOM 104 N ILE A 11 12.415 3.325 4.948 1.00 0.00 N ATOM 105 CA ILE A 11 12.382 2.829 3.577 1.00 0.00 C ATOM 106 C ILE A 11 10.966 2.434 3.170 1.00 0.00 C ATOM 107 O ILE A 11 10.690 2.202 1.992 1.00 0.00 O ATOM 108 CB ILE A 11 13.313 1.615 3.395 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.443 1.263 1.913 1.00 0.00 C ATOM 110 CG2 ILE A 11 12.790 0.423 4.184 1.00 0.00 C ATOM 111 CD1 ILE A 11 14.662 0.423 1.596 1.00 0.00 C ATOM 0 H ILE A 11 13.003 2.782 5.580 1.00 0.00 H new ATOM 0 HA ILE A 11 12.729 3.642 2.939 1.00 0.00 H new ATOM 0 HB ILE A 11 14.301 1.873 3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.549 0.726 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.485 2.184 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.458 -0.427 4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.744 0.679 5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.793 0.162 3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.690 0.211 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.563 0.966 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.612 -0.514 2.150 1.00 0.00 H new ATOM 123 N ILE A 12 10.072 2.362 4.150 1.00 0.00 N ATOM 124 CA ILE A 12 8.685 2.000 3.893 1.00 0.00 C ATOM 125 C ILE A 12 8.079 2.880 2.804 1.00 0.00 C ATOM 126 O ILE A 12 7.293 2.413 1.979 1.00 0.00 O ATOM 127 CB ILE A 12 7.827 2.116 5.167 1.00 0.00 C ATOM 128 CG1 ILE A 12 8.315 1.129 6.229 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.361 1.871 4.842 1.00 0.00 C ATOM 130 CD1 ILE A 12 7.455 1.104 7.473 1.00 0.00 C ATOM 0 H ILE A 12 10.284 2.550 5.130 1.00 0.00 H new ATOM 0 HA ILE A 12 8.687 0.962 3.559 1.00 0.00 H new ATOM 0 HB ILE A 12 7.927 3.126 5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.344 0.129 5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.337 1.385 6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.767 1.956 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.021 2.610 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.243 0.871 4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.861 0.382 8.182 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.446 2.094 7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.438 0.818 7.206 1.00 0.00 H new ATOM 142 N VAL A 13 8.452 4.156 2.808 1.00 0.00 N ATOM 143 CA VAL A 13 7.948 5.101 1.818 1.00 0.00 C ATOM 144 C VAL A 13 8.720 4.989 0.508 1.00 0.00 C ATOM 145 O VAL A 13 8.132 4.807 -0.557 1.00 0.00 O ATOM 146 CB VAL A 13 8.036 6.551 2.332 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.542 7.524 1.272 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.245 6.708 3.622 1.00 0.00 C ATOM 0 H VAL A 13 9.100 4.559 3.485 1.00 0.00 H new ATOM 0 HA VAL A 13 6.902 4.848 1.642 1.00 0.00 H new ATOM 0 HB VAL A 13 9.080 6.781 2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.612 8.543 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.156 7.429 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.504 7.298 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.318 7.738 3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.199 6.460 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.650 6.038 4.381 1.00 0.00 H new ATOM 158 N ASN A 14 10.041 5.101 0.596 1.00 0.00 N ATOM 159 CA ASN A 14 10.896 5.013 -0.583 1.00 0.00 C ATOM 160 C ASN A 14 10.546 3.784 -1.418 1.00 0.00 C ATOM 161 O ASN A 14 10.427 3.865 -2.641 1.00 0.00 O ATOM 162 CB ASN A 14 12.368 4.959 -0.170 1.00 0.00 C ATOM 163 CG ASN A 14 13.292 5.484 -1.252 1.00 0.00 C ATOM 164 OD1 ASN A 14 14.046 6.432 -1.033 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.235 4.868 -2.427 1.00 0.00 N ATOM 0 H ASN A 14 10.543 5.253 1.471 1.00 0.00 H new ATOM 0 HA ASN A 14 10.728 5.903 -1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.509 5.543 0.739 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.638 3.930 0.067 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.832 5.177 -3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.594 4.086 -2.562 1.00 0.00 H new ATOM 172 N TRP A 15 10.382 2.649 -0.748 1.00 0.00 N ATOM 173 CA TRP A 15 10.045 1.403 -1.428 1.00 0.00 C ATOM 174 C TRP A 15 8.764 1.556 -2.242 1.00 0.00 C ATOM 175 O TRP A 15 8.733 1.247 -3.433 1.00 0.00 O ATOM 176 CB TRP A 15 9.885 0.271 -0.412 1.00 0.00 C ATOM 177 CG TRP A 15 9.924 -1.093 -1.032 1.00 0.00 C ATOM 178 CD1 TRP A 15 11.037 -1.795 -1.399 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.802 -1.919 -1.358 1.00 0.00 C ATOM 180 NE1 TRP A 15 10.674 -3.007 -1.934 1.00 0.00 N ATOM 181 CE2 TRP A 15 9.307 -3.107 -1.920 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.417 -1.770 -1.230 1.00 0.00 C ATOM 183 CZ2 TRP A 15 8.477 -4.139 -2.351 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.595 -2.794 -1.659 1.00 0.00 C ATOM 185 CH2 TRP A 15 7.126 -3.966 -2.213 1.00 0.00 C ATOM 0 H TRP A 15 10.477 2.565 0.264 1.00 0.00 H new ATOM 0 HA TRP A 15 10.860 1.158 -2.110 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.677 0.346 0.333 1.00 0.00 H new ATOM 0 HB3 TRP A 15 8.939 0.396 0.115 1.00 0.00 H new ATOM 0 HD1 TRP A 15 12.053 -1.448 -1.285 1.00 0.00 H new ATOM 0 HE1 TRP A 15 11.317 -3.717 -2.285 1.00 0.00 H new ATOM 0 HE3 TRP A 15 6.998 -0.871 -0.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 8.884 -5.043 -2.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.524 -2.689 -1.566 1.00 0.00 H new ATOM 0 HH2 TRP A 15 6.456 -4.749 -2.538 1.00 0.00 H new ATOM 196 N VAL A 16 7.708 2.035 -1.592 1.00 0.00 N ATOM 197 CA VAL A 16 6.425 2.231 -2.256 1.00 0.00 C ATOM 198 C VAL A 16 6.585 3.057 -3.526 1.00 0.00 C ATOM 199 O VAL A 16 6.134 2.658 -4.599 1.00 0.00 O ATOM 200 CB VAL A 16 5.412 2.926 -1.327 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.067 3.075 -2.021 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.268 2.155 -0.024 1.00 0.00 C ATOM 0 H VAL A 16 7.716 2.295 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 16 6.048 1.242 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 16 5.784 3.923 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.364 3.568 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.188 3.674 -2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.684 2.090 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.548 2.660 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.918 1.145 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.234 2.107 0.479 1.00 0.00 H new ATOM 212 N ASN A 17 7.230 4.212 -3.397 1.00 0.00 N ATOM 213 CA ASN A 17 7.449 5.097 -4.536 1.00 0.00 C ATOM 214 C ASN A 17 8.101 4.343 -5.692 1.00 0.00 C ATOM 215 O ASN A 17 7.588 4.339 -6.810 1.00 0.00 O ATOM 216 CB ASN A 17 8.324 6.282 -4.127 1.00 0.00 C ATOM 217 CG ASN A 17 7.519 7.410 -3.510 1.00 0.00 C ATOM 218 OD1 ASN A 17 7.209 8.400 -4.173 1.00 0.00 O ATOM 219 ND2 ASN A 17 7.176 7.264 -2.236 1.00 0.00 N ATOM 0 H ASN A 17 7.610 4.557 -2.516 1.00 0.00 H new ATOM 0 HA ASN A 17 6.480 5.468 -4.868 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.077 5.945 -3.415 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.857 6.656 -5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.633 7.990 -1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.455 6.426 -1.726 1.00 0.00 H new ATOM 226 N GLU A 18 9.235 3.709 -5.412 1.00 0.00 N ATOM 227 CA GLU A 18 9.957 2.954 -6.429 1.00 0.00 C ATOM 228 C GLU A 18 9.060 1.891 -7.057 1.00 0.00 C ATOM 229 O GLU A 18 8.786 1.923 -8.257 1.00 0.00 O ATOM 230 CB GLU A 18 11.199 2.295 -5.821 1.00 0.00 C ATOM 231 CG GLU A 18 12.442 3.165 -5.885 1.00 0.00 C ATOM 232 CD GLU A 18 13.720 2.352 -5.963 1.00 0.00 C ATOM 233 OE1 GLU A 18 13.830 1.510 -6.878 1.00 0.00 O ATOM 234 OE2 GLU A 18 14.608 2.559 -5.110 1.00 0.00 O ATOM 0 H GLU A 18 9.673 3.703 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 18 10.268 3.649 -7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.994 2.044 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.395 1.358 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.379 3.819 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.477 3.807 -5.005 1.00 0.00 H new ATOM 241 N THR A 19 8.605 0.948 -6.237 1.00 0.00 N ATOM 242 CA THR A 19 7.741 -0.124 -6.711 1.00 0.00 C ATOM 243 C THR A 19 6.721 0.394 -7.717 1.00 0.00 C ATOM 244 O THR A 19 6.397 -0.282 -8.694 1.00 0.00 O ATOM 245 CB THR A 19 6.996 -0.802 -5.545 1.00 0.00 C ATOM 246 OG1 THR A 19 7.931 -1.458 -4.681 1.00 0.00 O ATOM 247 CG2 THR A 19 5.983 -1.811 -6.064 1.00 0.00 C ATOM 0 H THR A 19 8.821 0.906 -5.241 1.00 0.00 H new ATOM 0 HA THR A 19 8.386 -0.857 -7.197 1.00 0.00 H new ATOM 0 HB THR A 19 6.464 -0.032 -4.986 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.390 -0.791 -4.129 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.470 -2.277 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.255 -1.303 -6.697 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.497 -2.577 -6.644 1.00 0.00 H new ATOM 255 N LEU A 20 6.218 1.600 -7.474 1.00 0.00 N ATOM 256 CA LEU A 20 5.234 2.212 -8.361 1.00 0.00 C ATOM 257 C LEU A 20 5.913 2.869 -9.558 1.00 0.00 C ATOM 258 O LEU A 20 5.397 2.831 -10.675 1.00 0.00 O ATOM 259 CB LEU A 20 4.404 3.247 -7.598 1.00 0.00 C ATOM 260 CG LEU A 20 3.536 2.706 -6.462 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.141 3.827 -5.513 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.300 2.015 -7.018 1.00 0.00 C ATOM 0 H LEU A 20 6.475 2.173 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 20 4.574 1.426 -8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.082 3.995 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.757 3.761 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 20 4.117 1.972 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.523 3.424 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.038 4.278 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.578 4.584 -6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.694 1.636 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.716 2.727 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.603 1.186 -7.657 1.00 0.00 H new ATOM 274 N ARG A 21 7.074 3.470 -9.316 1.00 0.00 N ATOM 275 CA ARG A 21 7.824 4.134 -10.374 1.00 0.00 C ATOM 276 C ARG A 21 8.176 3.154 -11.490 1.00 0.00 C ATOM 277 O ARG A 21 8.018 3.461 -12.671 1.00 0.00 O ATOM 278 CB ARG A 21 9.101 4.759 -9.808 1.00 0.00 C ATOM 279 CG ARG A 21 9.765 5.748 -10.752 1.00 0.00 C ATOM 280 CD ARG A 21 10.903 6.490 -10.069 1.00 0.00 C ATOM 281 NE ARG A 21 12.173 5.779 -10.195 1.00 0.00 N ATOM 282 CZ ARG A 21 12.886 5.739 -11.314 1.00 0.00 C ATOM 283 NH1 ARG A 21 12.457 6.368 -12.399 1.00 0.00 N ATOM 284 NH2 ARG A 21 14.032 5.070 -11.350 1.00 0.00 N ATOM 0 H ARG A 21 7.515 3.510 -8.397 1.00 0.00 H new ATOM 0 HA ARG A 21 7.196 4.921 -10.791 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.864 5.266 -8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.809 3.965 -9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.146 5.219 -11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.025 6.464 -11.110 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.000 7.485 -10.504 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.666 6.625 -9.014 1.00 0.00 H new ATOM 0 HE ARG A 21 12.532 5.286 -9.377 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.577 6.884 -12.375 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.006 6.336 -13.258 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.366 4.586 -10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.578 5.040 -12.211 1.00 0.00 H new ATOM 298 N GLU A 22 8.653 1.975 -11.105 1.00 0.00 N ATOM 299 CA GLU A 22 9.029 0.951 -12.073 1.00 0.00 C ATOM 300 C GLU A 22 7.804 0.443 -12.829 1.00 0.00 C ATOM 301 O GLU A 22 7.902 0.034 -13.986 1.00 0.00 O ATOM 302 CB GLU A 22 9.728 -0.215 -11.370 1.00 0.00 C ATOM 303 CG GLU A 22 8.784 -1.096 -10.568 1.00 0.00 C ATOM 304 CD GLU A 22 9.400 -2.435 -10.208 1.00 0.00 C ATOM 305 OE1 GLU A 22 10.084 -2.512 -9.167 1.00 0.00 O ATOM 306 OE2 GLU A 22 9.198 -3.404 -10.969 1.00 0.00 O ATOM 0 H GLU A 22 8.788 1.705 -10.131 1.00 0.00 H new ATOM 0 HA GLU A 22 9.718 1.399 -12.789 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.236 -0.826 -12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.496 0.180 -10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.495 -0.576 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.872 -1.262 -11.142 1.00 0.00 H new ATOM 313 N ALA A 23 6.652 0.472 -12.167 1.00 0.00 N ATOM 314 CA ALA A 23 5.409 0.015 -12.777 1.00 0.00 C ATOM 315 C ALA A 23 4.745 1.135 -13.570 1.00 0.00 C ATOM 316 O ALA A 23 3.759 0.910 -14.272 1.00 0.00 O ATOM 317 CB ALA A 23 4.462 -0.512 -11.711 1.00 0.00 C ATOM 0 H ALA A 23 6.554 0.807 -11.209 1.00 0.00 H new ATOM 0 HA ALA A 23 5.647 -0.794 -13.468 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.538 -0.850 -12.180 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.930 -1.346 -11.189 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.238 0.282 -10.999 1.00 0.00 H new ATOM 323 N GLU A 24 5.291 2.341 -13.455 1.00 0.00 N ATOM 324 CA GLU A 24 4.749 3.496 -14.161 1.00 0.00 C ATOM 325 C GLU A 24 3.359 3.849 -13.640 1.00 0.00 C ATOM 326 O GLU A 24 2.436 4.098 -14.417 1.00 0.00 O ATOM 327 CB GLU A 24 4.685 3.218 -15.666 1.00 0.00 C ATOM 328 CG GLU A 24 5.949 2.581 -16.220 1.00 0.00 C ATOM 329 CD GLU A 24 6.963 3.608 -16.685 1.00 0.00 C ATOM 330 OE1 GLU A 24 6.544 4.658 -17.216 1.00 0.00 O ATOM 331 OE2 GLU A 24 8.176 3.362 -16.519 1.00 0.00 O ATOM 0 H GLU A 24 6.108 2.544 -12.880 1.00 0.00 H new ATOM 0 HA GLU A 24 5.412 4.343 -13.982 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.838 2.563 -15.871 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.499 4.154 -16.193 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.400 1.951 -15.453 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.688 1.930 -17.054 1.00 0.00 H new ATOM 338 N LYS A 25 3.217 3.870 -12.319 1.00 0.00 N ATOM 339 CA LYS A 25 1.942 4.193 -11.691 1.00 0.00 C ATOM 340 C LYS A 25 1.863 5.678 -11.352 1.00 0.00 C ATOM 341 O LYS A 25 2.871 6.304 -11.024 1.00 0.00 O ATOM 342 CB LYS A 25 1.748 3.359 -10.423 1.00 0.00 C ATOM 343 CG LYS A 25 1.057 2.029 -10.670 1.00 0.00 C ATOM 344 CD LYS A 25 1.579 1.353 -11.927 1.00 0.00 C ATOM 345 CE LYS A 25 0.869 0.034 -12.187 1.00 0.00 C ATOM 346 NZ LYS A 25 -0.349 0.217 -13.024 1.00 0.00 N ATOM 0 H LYS A 25 3.970 3.667 -11.662 1.00 0.00 H new ATOM 0 HA LYS A 25 1.147 3.957 -12.399 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.721 3.174 -9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.164 3.935 -9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.211 1.374 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.018 2.188 -10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.442 2.016 -12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.650 1.177 -11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.552 -0.654 -12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.592 -0.423 -11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.805 -0.705 -13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.012 0.854 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.082 0.630 -13.940 1.00 0.00 H new ATOM 360 N SER A 26 0.659 6.237 -11.433 1.00 0.00 N ATOM 361 CA SER A 26 0.450 7.649 -11.137 1.00 0.00 C ATOM 362 C SER A 26 0.164 7.856 -9.652 1.00 0.00 C ATOM 363 O SER A 26 -0.236 8.941 -9.232 1.00 0.00 O ATOM 364 CB SER A 26 -0.706 8.202 -11.972 1.00 0.00 C ATOM 365 OG SER A 26 -0.675 9.617 -12.013 1.00 0.00 O ATOM 0 H SER A 26 -0.186 5.733 -11.701 1.00 0.00 H new ATOM 0 HA SER A 26 1.363 8.187 -11.393 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.649 7.805 -12.985 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.655 7.868 -11.551 1.00 0.00 H new ATOM 0 HG SER A 26 -0.519 9.967 -11.111 1.00 0.00 H new ATOM 371 N SER A 27 0.371 6.806 -8.865 1.00 0.00 N ATOM 372 CA SER A 27 0.133 6.870 -7.427 1.00 0.00 C ATOM 373 C SER A 27 1.445 7.028 -6.664 1.00 0.00 C ATOM 374 O SER A 27 2.507 6.640 -7.149 1.00 0.00 O ATOM 375 CB SER A 27 -0.598 5.612 -6.954 1.00 0.00 C ATOM 376 OG SER A 27 0.243 4.474 -7.034 1.00 0.00 O ATOM 0 H SER A 27 0.703 5.901 -9.198 1.00 0.00 H new ATOM 0 HA SER A 27 -0.490 7.741 -7.225 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.935 5.748 -5.926 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.488 5.454 -7.563 1.00 0.00 H new ATOM 0 HG SER A 27 0.952 4.637 -7.691 1.00 0.00 H new ATOM 382 N SER A 28 1.362 7.602 -5.469 1.00 0.00 N ATOM 383 CA SER A 28 2.542 7.815 -4.640 1.00 0.00 C ATOM 384 C SER A 28 2.151 8.348 -3.265 1.00 0.00 C ATOM 385 O SER A 28 1.037 8.833 -3.069 1.00 0.00 O ATOM 386 CB SER A 28 3.502 8.790 -5.323 1.00 0.00 C ATOM 387 OG SER A 28 2.994 10.113 -5.290 1.00 0.00 O ATOM 0 H SER A 28 0.490 7.928 -5.053 1.00 0.00 H new ATOM 0 HA SER A 28 3.042 6.855 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.472 8.757 -4.827 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.662 8.484 -6.357 1.00 0.00 H new ATOM 0 HG SER A 28 3.627 10.717 -5.731 1.00 0.00 H new ATOM 393 N ILE A 29 3.076 8.254 -2.315 1.00 0.00 N ATOM 394 CA ILE A 29 2.830 8.727 -0.959 1.00 0.00 C ATOM 395 C ILE A 29 3.975 9.606 -0.467 1.00 0.00 C ATOM 396 O ILE A 29 5.142 9.335 -0.746 1.00 0.00 O ATOM 397 CB ILE A 29 2.640 7.554 0.020 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.687 6.469 -0.239 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.235 6.981 -0.104 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.049 5.671 0.995 1.00 0.00 C ATOM 0 H ILE A 29 4.003 7.854 -2.460 1.00 0.00 H new ATOM 0 HA ILE A 29 1.913 9.315 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 29 2.772 7.925 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.312 5.789 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.588 6.933 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.117 6.153 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.504 7.756 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.077 6.623 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.796 4.920 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.454 6.339 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.158 5.178 1.384 1.00 0.00 H new ATOM 412 N SER A 30 3.632 10.658 0.269 1.00 0.00 N ATOM 413 CA SER A 30 4.631 11.578 0.800 1.00 0.00 C ATOM 414 C SER A 30 5.129 11.111 2.164 1.00 0.00 C ATOM 415 O SER A 30 6.304 11.270 2.496 1.00 0.00 O ATOM 416 CB SER A 30 4.047 12.988 0.913 1.00 0.00 C ATOM 417 OG SER A 30 5.060 13.971 0.787 1.00 0.00 O ATOM 0 H SER A 30 2.670 10.895 0.511 1.00 0.00 H new ATOM 0 HA SER A 30 5.475 11.596 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.294 13.136 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.544 13.101 1.873 1.00 0.00 H new ATOM 0 HG SER A 30 4.661 14.863 0.861 1.00 0.00 H new ATOM 423 N SER A 31 4.227 10.535 2.951 1.00 0.00 N ATOM 424 CA SER A 31 4.573 10.047 4.282 1.00 0.00 C ATOM 425 C SER A 31 3.431 9.227 4.873 1.00 0.00 C ATOM 426 O SER A 31 2.332 9.179 4.319 1.00 0.00 O ATOM 427 CB SER A 31 4.906 11.219 5.206 1.00 0.00 C ATOM 428 OG SER A 31 3.731 11.905 5.603 1.00 0.00 O ATOM 0 H SER A 31 3.251 10.394 2.691 1.00 0.00 H new ATOM 0 HA SER A 31 5.449 9.405 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.433 10.853 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.579 11.909 4.696 1.00 0.00 H new ATOM 0 HG SER A 31 3.970 12.649 6.195 1.00 0.00 H new ATOM 434 N PHE A 32 3.698 8.581 6.003 1.00 0.00 N ATOM 435 CA PHE A 32 2.694 7.761 6.672 1.00 0.00 C ATOM 436 C PHE A 32 1.391 8.534 6.851 1.00 0.00 C ATOM 437 O PHE A 32 0.314 7.945 6.937 1.00 0.00 O ATOM 438 CB PHE A 32 3.213 7.290 8.032 1.00 0.00 C ATOM 439 CG PHE A 32 4.313 6.272 7.935 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.072 5.025 7.382 1.00 0.00 C ATOM 441 CD2 PHE A 32 5.586 6.562 8.398 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.083 4.085 7.293 1.00 0.00 C ATOM 443 CE2 PHE A 32 6.600 5.627 8.311 1.00 0.00 C ATOM 444 CZ PHE A 32 6.349 4.387 7.757 1.00 0.00 C ATOM 0 H PHE A 32 4.602 8.609 6.475 1.00 0.00 H new ATOM 0 HA PHE A 32 2.496 6.891 6.046 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.575 8.152 8.592 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.385 6.866 8.600 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.085 4.784 7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.788 7.530 8.832 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.883 3.116 6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.588 5.866 8.676 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.140 3.655 7.687 1.00 0.00 H new ATOM 454 N LYS A 33 1.499 9.858 6.906 1.00 0.00 N ATOM 455 CA LYS A 33 0.331 10.713 7.073 1.00 0.00 C ATOM 456 C LYS A 33 -0.066 11.358 5.750 1.00 0.00 C ATOM 457 O LYS A 33 -0.480 12.517 5.711 1.00 0.00 O ATOM 458 CB LYS A 33 0.613 11.797 8.117 1.00 0.00 C ATOM 459 CG LYS A 33 0.448 11.321 9.549 1.00 0.00 C ATOM 460 CD LYS A 33 0.678 12.449 10.542 1.00 0.00 C ATOM 461 CE LYS A 33 0.355 12.014 11.963 1.00 0.00 C ATOM 462 NZ LYS A 33 1.535 11.408 12.640 1.00 0.00 N ATOM 0 H LYS A 33 2.384 10.361 6.837 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.497 10.092 7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.630 12.165 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.057 12.639 7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.554 10.914 9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.150 10.511 9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.716 12.777 10.488 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.059 13.305 10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.010 12.874 12.536 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.463 11.294 11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.274 11.125 13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.849 10.572 12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.307 12.103 12.680 1.00 0.00 H new ATOM 476 N ASP A 34 0.061 10.600 4.666 1.00 0.00 N ATOM 477 CA ASP A 34 -0.287 11.097 3.339 1.00 0.00 C ATOM 478 C ASP A 34 -1.798 11.097 3.140 1.00 0.00 C ATOM 479 O ASP A 34 -2.495 10.141 3.480 1.00 0.00 O ATOM 480 CB ASP A 34 0.383 10.245 2.261 1.00 0.00 C ATOM 481 CG ASP A 34 -0.170 10.523 0.876 1.00 0.00 C ATOM 482 OD1 ASP A 34 0.365 11.421 0.193 1.00 0.00 O ATOM 483 OD2 ASP A 34 -1.138 9.842 0.477 1.00 0.00 O ATOM 0 H ASP A 34 0.402 9.639 4.680 1.00 0.00 H new ATOM 0 HA ASP A 34 0.072 12.123 3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.456 10.436 2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.246 9.190 2.499 1.00 0.00 H new ATOM 488 N PRO A 35 -2.320 12.196 2.575 1.00 0.00 N ATOM 489 CA PRO A 35 -3.755 12.349 2.316 1.00 0.00 C ATOM 490 C PRO A 35 -4.246 11.426 1.206 1.00 0.00 C ATOM 491 O PRO A 35 -5.303 10.806 1.321 1.00 0.00 O ATOM 492 CB PRO A 35 -3.886 13.814 1.891 1.00 0.00 C ATOM 493 CG PRO A 35 -2.546 14.171 1.346 1.00 0.00 C ATOM 494 CD PRO A 35 -1.549 13.375 2.143 1.00 0.00 C ATOM 0 HA PRO A 35 -4.356 12.089 3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.666 13.940 1.140 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.152 14.449 2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.479 13.930 0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.358 15.240 1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.686 13.092 1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.171 13.942 2.994 1.00 0.00 H new ATOM 502 N LYS A 36 -3.471 11.339 0.131 1.00 0.00 N ATOM 503 CA LYS A 36 -3.824 10.490 -1.001 1.00 0.00 C ATOM 504 C LYS A 36 -4.134 9.069 -0.540 1.00 0.00 C ATOM 505 O LYS A 36 -4.940 8.370 -1.154 1.00 0.00 O ATOM 506 CB LYS A 36 -2.688 10.469 -2.025 1.00 0.00 C ATOM 507 CG LYS A 36 -2.784 11.572 -3.064 1.00 0.00 C ATOM 508 CD LYS A 36 -2.146 12.860 -2.572 1.00 0.00 C ATOM 509 CE LYS A 36 -2.002 13.876 -3.694 1.00 0.00 C ATOM 510 NZ LYS A 36 -0.843 13.566 -4.577 1.00 0.00 N ATOM 0 H LYS A 36 -2.593 11.846 0.019 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.717 10.905 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.736 10.557 -1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.685 9.504 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.294 11.251 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.831 11.754 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.752 13.284 -1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.165 12.643 -2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.916 13.894 -4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.878 14.872 -3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.768 14.291 -5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.031 13.557 -4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.981 12.634 -5.016 1.00 0.00 H new ATOM 524 N ILE A 37 -3.489 8.650 0.544 1.00 0.00 N ATOM 525 CA ILE A 37 -3.698 7.315 1.087 1.00 0.00 C ATOM 526 C ILE A 37 -5.169 7.077 1.412 1.00 0.00 C ATOM 527 O ILE A 37 -5.654 5.947 1.352 1.00 0.00 O ATOM 528 CB ILE A 37 -2.860 7.087 2.360 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.374 6.994 2.007 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.319 5.826 3.078 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.486 6.716 3.200 1.00 0.00 C ATOM 0 H ILE A 37 -2.818 9.216 1.063 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.379 6.610 0.320 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.004 7.935 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.233 6.205 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.060 7.928 1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.718 5.679 3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.368 5.927 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.201 4.967 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.553 6.663 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.598 7.517 3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.773 5.768 3.654 1.00 0.00 H new ATOM 543 N SER A 38 -5.875 8.149 1.755 1.00 0.00 N ATOM 544 CA SER A 38 -7.291 8.058 2.092 1.00 0.00 C ATOM 545 C SER A 38 -8.080 7.424 0.950 1.00 0.00 C ATOM 546 O SER A 38 -9.166 6.882 1.156 1.00 0.00 O ATOM 547 CB SER A 38 -7.852 9.446 2.406 1.00 0.00 C ATOM 548 OG SER A 38 -7.971 10.226 1.230 1.00 0.00 O ATOM 0 H SER A 38 -5.489 9.092 1.807 1.00 0.00 H new ATOM 0 HA SER A 38 -7.390 7.426 2.975 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.828 9.348 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.200 9.953 3.118 1.00 0.00 H new ATOM 0 HG SER A 38 -7.096 10.600 0.995 1.00 0.00 H new ATOM 554 N THR A 39 -7.527 7.498 -0.256 1.00 0.00 N ATOM 555 CA THR A 39 -8.178 6.933 -1.432 1.00 0.00 C ATOM 556 C THR A 39 -7.650 5.535 -1.735 1.00 0.00 C ATOM 557 O THR A 39 -8.186 4.831 -2.590 1.00 0.00 O ATOM 558 CB THR A 39 -7.974 7.826 -2.670 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.575 7.984 -2.936 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.613 9.191 -2.464 1.00 0.00 C ATOM 0 H THR A 39 -6.629 7.944 -0.445 1.00 0.00 H new ATOM 0 HA THR A 39 -9.243 6.875 -1.206 1.00 0.00 H new ATOM 0 HB THR A 39 -8.453 7.343 -3.522 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.181 8.583 -2.268 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.456 9.804 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.682 9.070 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.159 9.679 -1.601 1.00 0.00 H new ATOM 568 N SER A 40 -6.595 5.141 -1.029 1.00 0.00 N ATOM 569 CA SER A 40 -5.993 3.827 -1.225 1.00 0.00 C ATOM 570 C SER A 40 -5.380 3.712 -2.617 1.00 0.00 C ATOM 571 O SER A 40 -5.262 2.618 -3.169 1.00 0.00 O ATOM 572 CB SER A 40 -7.038 2.727 -1.024 1.00 0.00 C ATOM 573 OG SER A 40 -7.701 2.875 0.219 1.00 0.00 O ATOM 0 H SER A 40 -6.140 5.712 -0.317 1.00 0.00 H new ATOM 0 HA SER A 40 -5.201 3.705 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.766 2.760 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.556 1.750 -1.069 1.00 0.00 H new ATOM 0 HG SER A 40 -8.365 2.161 0.323 1.00 0.00 H new ATOM 579 N LEU A 41 -4.990 4.852 -3.180 1.00 0.00 N ATOM 580 CA LEU A 41 -4.388 4.882 -4.509 1.00 0.00 C ATOM 581 C LEU A 41 -3.014 4.221 -4.499 1.00 0.00 C ATOM 582 O LEU A 41 -2.723 3.325 -5.292 1.00 0.00 O ATOM 583 CB LEU A 41 -4.270 6.325 -5.004 1.00 0.00 C ATOM 584 CG LEU A 41 -5.530 6.927 -5.624 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.352 8.420 -5.851 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.870 6.224 -6.931 1.00 0.00 C ATOM 0 H LEU A 41 -5.080 5.766 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.034 4.324 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.967 6.952 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.469 6.370 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.358 6.782 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.259 8.832 -6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.157 8.912 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.512 8.588 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.770 6.666 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.042 6.338 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.041 5.165 -6.740 1.00 0.00 H new ATOM 598 N PRO A 42 -2.148 4.669 -3.578 1.00 0.00 N ATOM 599 CA PRO A 42 -0.790 4.133 -3.440 1.00 0.00 C ATOM 600 C PRO A 42 -0.782 2.707 -2.897 1.00 0.00 C ATOM 601 O PRO A 42 0.057 1.892 -3.278 1.00 0.00 O ATOM 602 CB PRO A 42 -0.130 5.089 -2.444 1.00 0.00 C ATOM 603 CG PRO A 42 -1.261 5.653 -1.654 1.00 0.00 C ATOM 604 CD PRO A 42 -2.427 5.733 -2.599 1.00 0.00 C ATOM 0 HA PRO A 42 -0.276 4.074 -4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.579 4.565 -1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.425 5.874 -2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.494 5.018 -0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.009 6.638 -1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.373 5.567 -2.084 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.491 6.711 -3.076 1.00 0.00 H new ATOM 612 N VAL A 43 -1.722 2.415 -2.004 1.00 0.00 N ATOM 613 CA VAL A 43 -1.824 1.087 -1.408 1.00 0.00 C ATOM 614 C VAL A 43 -2.327 0.068 -2.425 1.00 0.00 C ATOM 615 O VAL A 43 -1.867 -1.076 -2.453 1.00 0.00 O ATOM 616 CB VAL A 43 -2.766 1.090 -0.190 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.550 -0.157 0.654 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.559 2.347 0.640 1.00 0.00 C ATOM 0 H VAL A 43 -2.424 3.079 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.823 0.807 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.795 1.084 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.224 -0.138 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.753 -1.043 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.518 -0.185 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.233 2.332 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.528 2.386 0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.768 3.225 0.029 1.00 0.00 H new ATOM 628 N LEU A 44 -3.274 0.487 -3.257 1.00 0.00 N ATOM 629 CA LEU A 44 -3.839 -0.391 -4.276 1.00 0.00 C ATOM 630 C LEU A 44 -2.843 -0.628 -5.405 1.00 0.00 C ATOM 631 O LEU A 44 -2.508 -1.770 -5.721 1.00 0.00 O ATOM 632 CB LEU A 44 -5.129 0.212 -4.836 1.00 0.00 C ATOM 633 CG LEU A 44 -6.353 0.146 -3.923 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.445 1.080 -4.424 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.873 -1.281 -3.830 1.00 0.00 C ATOM 0 H LEU A 44 -3.667 1.428 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.065 -1.350 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.941 1.257 -5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.369 -0.297 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.055 0.470 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.308 1.019 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.070 2.103 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.740 0.787 -5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.744 -1.309 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.153 -1.631 -4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.094 -1.926 -3.424 1.00 0.00 H new ATOM 647 N ASP A 45 -2.370 0.457 -6.007 1.00 0.00 N ATOM 648 CA ASP A 45 -1.408 0.367 -7.101 1.00 0.00 C ATOM 649 C ASP A 45 -0.173 -0.420 -6.673 1.00 0.00 C ATOM 650 O ASP A 45 0.290 -1.306 -7.392 1.00 0.00 O ATOM 651 CB ASP A 45 -1.001 1.766 -7.565 1.00 0.00 C ATOM 652 CG ASP A 45 -1.952 2.331 -8.602 1.00 0.00 C ATOM 653 OD1 ASP A 45 -2.235 1.627 -9.593 1.00 0.00 O ATOM 654 OD2 ASP A 45 -2.411 3.480 -8.423 1.00 0.00 O ATOM 0 H ASP A 45 -2.636 1.409 -5.757 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.883 -0.158 -7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.966 2.435 -6.705 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.006 1.729 -7.981 1.00 0.00 H new ATOM 659 N LEU A 46 0.356 -0.090 -5.501 1.00 0.00 N ATOM 660 CA LEU A 46 1.539 -0.765 -4.977 1.00 0.00 C ATOM 661 C LEU A 46 1.400 -2.279 -5.099 1.00 0.00 C ATOM 662 O LEU A 46 2.367 -2.979 -5.403 1.00 0.00 O ATOM 663 CB LEU A 46 1.767 -0.378 -3.515 1.00 0.00 C ATOM 664 CG LEU A 46 2.779 -1.228 -2.746 1.00 0.00 C ATOM 665 CD1 LEU A 46 4.065 -1.380 -3.544 1.00 0.00 C ATOM 666 CD2 LEU A 46 3.065 -0.613 -1.384 1.00 0.00 C ATOM 0 H LEU A 46 -0.015 0.641 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 46 2.399 -0.449 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.095 0.661 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.811 -0.427 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 46 2.351 -2.219 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.773 -1.988 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.847 -1.865 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.497 -0.396 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.787 -1.231 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.472 0.389 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.141 -0.556 -0.809 1.00 0.00 H new ATOM 678 N ILE A 47 0.191 -2.778 -4.863 1.00 0.00 N ATOM 679 CA ILE A 47 -0.075 -4.209 -4.949 1.00 0.00 C ATOM 680 C ILE A 47 -0.048 -4.686 -6.397 1.00 0.00 C ATOM 681 O ILE A 47 0.691 -5.607 -6.744 1.00 0.00 O ATOM 682 CB ILE A 47 -1.438 -4.566 -4.327 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.496 -4.101 -2.871 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.685 -6.065 -4.420 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.903 -3.998 -2.326 1.00 0.00 C ATOM 0 H ILE A 47 -0.620 -2.213 -4.611 1.00 0.00 H new ATOM 0 HA ILE A 47 0.713 -4.712 -4.389 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.221 -4.052 -4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.926 -4.795 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.011 -3.128 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.652 -6.303 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.681 -6.370 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.899 -6.597 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.868 -3.663 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.472 -3.282 -2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.385 -4.974 -2.376 1.00 0.00 H new ATOM 697 N ASP A 48 -0.858 -4.052 -7.238 1.00 0.00 N ATOM 698 CA ASP A 48 -0.926 -4.409 -8.650 1.00 0.00 C ATOM 699 C ASP A 48 0.468 -4.449 -9.268 1.00 0.00 C ATOM 700 O ASP A 48 0.796 -5.362 -10.025 1.00 0.00 O ATOM 701 CB ASP A 48 -1.806 -3.414 -9.409 1.00 0.00 C ATOM 702 CG ASP A 48 -2.115 -3.873 -10.820 1.00 0.00 C ATOM 703 OD1 ASP A 48 -1.199 -3.837 -11.669 1.00 0.00 O ATOM 704 OD2 ASP A 48 -3.271 -4.267 -11.077 1.00 0.00 O ATOM 0 H ASP A 48 -1.477 -3.288 -6.966 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.367 -5.403 -8.727 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.739 -3.270 -8.864 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.306 -2.446 -9.446 1.00 0.00 H new ATOM 709 N ALA A 49 1.283 -3.452 -8.941 1.00 0.00 N ATOM 710 CA ALA A 49 2.642 -3.374 -9.464 1.00 0.00 C ATOM 711 C ALA A 49 3.315 -4.741 -9.449 1.00 0.00 C ATOM 712 O ALA A 49 3.829 -5.201 -10.469 1.00 0.00 O ATOM 713 CB ALA A 49 3.459 -2.372 -8.660 1.00 0.00 C ATOM 0 H ALA A 49 1.026 -2.687 -8.317 1.00 0.00 H new ATOM 0 HA ALA A 49 2.588 -3.036 -10.499 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.472 -2.323 -9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.995 -1.388 -8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.496 -2.686 -7.617 1.00 0.00 H new ATOM 719 N ILE A 50 3.310 -5.387 -8.288 1.00 0.00 N ATOM 720 CA ILE A 50 3.920 -6.703 -8.142 1.00 0.00 C ATOM 721 C ILE A 50 3.048 -7.785 -8.770 1.00 0.00 C ATOM 722 O ILE A 50 3.531 -8.611 -9.545 1.00 0.00 O ATOM 723 CB ILE A 50 4.163 -7.049 -6.662 1.00 0.00 C ATOM 724 CG1 ILE A 50 4.885 -5.899 -5.957 1.00 0.00 C ATOM 725 CG2 ILE A 50 4.965 -8.337 -6.544 1.00 0.00 C ATOM 726 CD1 ILE A 50 4.942 -6.052 -4.453 1.00 0.00 C ATOM 0 H ILE A 50 2.890 -5.020 -7.434 1.00 0.00 H new ATOM 0 HA ILE A 50 4.879 -6.667 -8.660 1.00 0.00 H new ATOM 0 HB ILE A 50 3.198 -7.198 -6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.901 -5.826 -6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.383 -4.962 -6.200 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.129 -8.568 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.415 -9.152 -7.014 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.927 -8.214 -7.042 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.468 -5.201 -4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.929 -6.094 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.470 -6.971 -4.201 1.00 0.00 H new ATOM 738 N GLN A 51 1.763 -7.773 -8.431 1.00 0.00 N ATOM 739 CA GLN A 51 0.824 -8.754 -8.963 1.00 0.00 C ATOM 740 C GLN A 51 -0.207 -8.086 -9.866 1.00 0.00 C ATOM 741 O GLN A 51 -1.255 -7.623 -9.416 1.00 0.00 O ATOM 742 CB GLN A 51 0.121 -9.489 -7.821 1.00 0.00 C ATOM 743 CG GLN A 51 -0.394 -10.865 -8.210 1.00 0.00 C ATOM 744 CD GLN A 51 0.654 -11.948 -8.048 1.00 0.00 C ATOM 745 OE1 GLN A 51 1.111 -12.537 -9.028 1.00 0.00 O ATOM 746 NE2 GLN A 51 1.043 -12.216 -6.806 1.00 0.00 N ATOM 0 H GLN A 51 1.348 -7.096 -7.791 1.00 0.00 H new ATOM 0 HA GLN A 51 1.387 -9.474 -9.557 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.813 -9.592 -6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.714 -8.883 -7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.262 -11.110 -7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.731 -10.843 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.638 -11.703 -6.023 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.747 -12.934 -6.636 1.00 0.00 H new ATOM 755 N PRO A 52 0.095 -8.034 -11.172 1.00 0.00 N ATOM 756 CA PRO A 52 -0.794 -7.424 -12.166 1.00 0.00 C ATOM 757 C PRO A 52 -2.060 -8.243 -12.391 1.00 0.00 C ATOM 758 O PRO A 52 -1.996 -9.404 -12.791 1.00 0.00 O ATOM 759 CB PRO A 52 0.060 -7.397 -13.436 1.00 0.00 C ATOM 760 CG PRO A 52 1.044 -8.502 -13.255 1.00 0.00 C ATOM 761 CD PRO A 52 1.327 -8.565 -11.779 1.00 0.00 C ATOM 0 HA PRO A 52 -1.145 -6.441 -11.851 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.550 -7.552 -14.326 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.561 -6.436 -13.556 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.640 -9.448 -13.616 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.956 -8.309 -13.820 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.529 -9.585 -11.452 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.197 -7.966 -11.511 1.00 0.00 H new ATOM 769 N GLY A 53 -3.210 -7.629 -12.133 1.00 0.00 N ATOM 770 CA GLY A 53 -4.476 -8.317 -12.315 1.00 0.00 C ATOM 771 C GLY A 53 -5.342 -8.276 -11.071 1.00 0.00 C ATOM 772 O GLY A 53 -6.563 -8.165 -11.161 1.00 0.00 O ATOM 0 H GLY A 53 -3.289 -6.668 -11.801 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.017 -7.863 -13.146 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.286 -9.355 -12.588 1.00 0.00 H new ATOM 776 N SER A 54 -4.707 -8.369 -9.907 1.00 0.00 N ATOM 777 CA SER A 54 -5.428 -8.348 -8.639 1.00 0.00 C ATOM 778 C SER A 54 -6.303 -7.102 -8.533 1.00 0.00 C ATOM 779 O SER A 54 -7.436 -7.166 -8.055 1.00 0.00 O ATOM 780 CB SER A 54 -4.444 -8.394 -7.468 1.00 0.00 C ATOM 781 OG SER A 54 -3.229 -7.744 -7.796 1.00 0.00 O ATOM 0 H SER A 54 -3.695 -8.460 -9.815 1.00 0.00 H new ATOM 0 HA SER A 54 -6.071 -9.228 -8.600 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.890 -7.918 -6.595 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.244 -9.431 -7.198 1.00 0.00 H new ATOM 0 HG SER A 54 -2.669 -8.347 -8.328 1.00 0.00 H new ATOM 787 N ILE A 55 -5.770 -5.971 -8.983 1.00 0.00 N ATOM 788 CA ILE A 55 -6.501 -4.712 -8.940 1.00 0.00 C ATOM 789 C ILE A 55 -7.058 -4.353 -10.313 1.00 0.00 C ATOM 790 O ILE A 55 -6.501 -4.739 -11.340 1.00 0.00 O ATOM 791 CB ILE A 55 -5.610 -3.559 -8.441 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.769 -4.016 -7.248 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.461 -2.356 -8.067 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.594 -4.446 -6.055 1.00 0.00 C ATOM 0 H ILE A 55 -4.834 -5.902 -9.382 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.326 -4.850 -8.241 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.936 -3.266 -9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.134 -4.846 -7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.107 -3.203 -6.948 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.817 -1.550 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.020 -2.020 -8.940 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.157 -2.635 -7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.931 -4.757 -5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.209 -3.612 -5.719 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.236 -5.280 -6.338 1.00 0.00 H new ATOM 806 N ASN A 56 -8.158 -3.609 -10.323 1.00 0.00 N ATOM 807 CA ASN A 56 -8.790 -3.194 -11.571 1.00 0.00 C ATOM 808 C ASN A 56 -9.413 -1.809 -11.432 1.00 0.00 C ATOM 809 O ASN A 56 -10.461 -1.647 -10.806 1.00 0.00 O ATOM 810 CB ASN A 56 -9.860 -4.207 -11.986 1.00 0.00 C ATOM 811 CG ASN A 56 -10.194 -4.123 -13.463 1.00 0.00 C ATOM 812 OD1 ASN A 56 -9.346 -3.770 -14.283 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.434 -4.447 -13.808 1.00 0.00 N ATOM 0 H ASN A 56 -8.631 -3.280 -9.481 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.020 -3.151 -12.342 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.514 -5.214 -11.751 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.764 -4.036 -11.402 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.717 -4.409 -14.787 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.104 -4.734 -13.094 1.00 0.00 H new ATOM 820 N TYR A 57 -8.761 -0.812 -12.022 1.00 0.00 N ATOM 821 CA TYR A 57 -9.250 0.561 -11.963 1.00 0.00 C ATOM 822 C TYR A 57 -10.722 0.632 -12.353 1.00 0.00 C ATOM 823 O TYR A 57 -11.507 1.349 -11.731 1.00 0.00 O ATOM 824 CB TYR A 57 -8.422 1.459 -12.884 1.00 0.00 C ATOM 825 CG TYR A 57 -7.222 2.080 -12.206 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.455 1.353 -11.304 1.00 0.00 C ATOM 827 CD2 TYR A 57 -6.855 3.395 -12.467 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.358 1.916 -10.681 1.00 0.00 C ATOM 829 CE2 TYR A 57 -5.759 3.965 -11.850 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.014 3.223 -10.958 1.00 0.00 C ATOM 831 OH TYR A 57 -3.922 3.789 -10.340 1.00 0.00 O ATOM 0 H TYR A 57 -7.894 -0.929 -12.546 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.148 0.913 -10.936 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.083 0.874 -13.739 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.060 2.253 -13.273 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.721 0.329 -11.086 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.437 3.980 -13.164 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.773 1.337 -9.982 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.486 4.988 -12.065 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.930 3.560 -9.387 1.00 0.00 H new ATOM 841 N ASP A 58 -11.091 -0.116 -13.387 1.00 0.00 N ATOM 842 CA ASP A 58 -12.469 -0.140 -13.861 1.00 0.00 C ATOM 843 C ASP A 58 -13.442 -0.289 -12.695 1.00 0.00 C ATOM 844 O ASP A 58 -14.526 0.297 -12.699 1.00 0.00 O ATOM 845 CB ASP A 58 -12.669 -1.284 -14.856 1.00 0.00 C ATOM 846 CG ASP A 58 -13.736 -0.974 -15.888 1.00 0.00 C ATOM 847 OD1 ASP A 58 -13.953 0.221 -16.176 1.00 0.00 O ATOM 848 OD2 ASP A 58 -14.356 -1.927 -16.406 1.00 0.00 O ATOM 0 H ASP A 58 -10.454 -0.714 -13.913 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.671 0.807 -14.362 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.726 -1.490 -15.363 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.944 -2.189 -14.314 1.00 0.00 H new ATOM 853 N LEU A 59 -13.049 -1.075 -11.699 1.00 0.00 N ATOM 854 CA LEU A 59 -13.887 -1.301 -10.527 1.00 0.00 C ATOM 855 C LEU A 59 -13.630 -0.239 -9.462 1.00 0.00 C ATOM 856 O LEU A 59 -14.548 0.183 -8.757 1.00 0.00 O ATOM 857 CB LEU A 59 -13.624 -2.693 -9.949 1.00 0.00 C ATOM 858 CG LEU A 59 -13.612 -3.845 -10.954 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.267 -5.154 -10.262 1.00 0.00 C ATOM 860 CD2 LEU A 59 -14.955 -3.950 -11.661 1.00 0.00 C ATOM 0 H LEU A 59 -12.155 -1.566 -11.680 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.930 -1.234 -10.837 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.663 -2.676 -9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.384 -2.902 -9.196 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.846 -3.641 -11.702 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.263 -5.962 -10.993 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.281 -5.075 -9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.009 -5.365 -9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.928 -4.775 -12.373 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.740 -4.130 -10.926 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.161 -3.020 -12.191 1.00 0.00 H new ATOM 872 N LEU A 60 -12.377 0.189 -9.351 1.00 0.00 N ATOM 873 CA LEU A 60 -12.000 1.204 -8.373 1.00 0.00 C ATOM 874 C LEU A 60 -12.778 2.496 -8.601 1.00 0.00 C ATOM 875 O LEU A 60 -13.181 2.800 -9.724 1.00 0.00 O ATOM 876 CB LEU A 60 -10.497 1.479 -8.449 1.00 0.00 C ATOM 877 CG LEU A 60 -9.583 0.264 -8.293 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.123 0.678 -8.384 1.00 0.00 C ATOM 879 CD2 LEU A 60 -9.858 -0.445 -6.976 1.00 0.00 C ATOM 0 H LEU A 60 -11.606 -0.151 -9.925 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.244 0.826 -7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.282 1.949 -9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.241 2.203 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.793 -0.430 -9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.488 -0.201 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.935 1.139 -9.354 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.898 1.393 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.198 -1.307 -6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.678 0.241 -6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.896 -0.778 -6.952 1.00 0.00 H new ATOM 891 N LYS A 61 -12.982 3.255 -7.529 1.00 0.00 N ATOM 892 CA LYS A 61 -13.708 4.517 -7.613 1.00 0.00 C ATOM 893 C LYS A 61 -12.787 5.645 -8.064 1.00 0.00 C ATOM 894 O LYS A 61 -12.941 6.187 -9.160 1.00 0.00 O ATOM 895 CB LYS A 61 -14.327 4.863 -6.256 1.00 0.00 C ATOM 896 CG LYS A 61 -15.387 3.874 -5.802 1.00 0.00 C ATOM 897 CD LYS A 61 -16.553 3.822 -6.774 1.00 0.00 C ATOM 898 CE LYS A 61 -17.618 2.838 -6.315 1.00 0.00 C ATOM 899 NZ LYS A 61 -18.844 2.913 -7.157 1.00 0.00 N ATOM 0 H LYS A 61 -12.655 3.018 -6.592 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.502 4.403 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.537 4.906 -5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.769 5.858 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.945 2.882 -5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -15.749 4.155 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -16.991 4.815 -6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -16.192 3.535 -7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.216 1.826 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.878 3.043 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.545 2.227 -6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.243 3.872 -7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.601 2.693 -8.144 1.00 0.00 H new ATOM 913 N THR A 62 -11.826 5.996 -7.215 1.00 0.00 N ATOM 914 CA THR A 62 -10.880 7.060 -7.528 1.00 0.00 C ATOM 915 C THR A 62 -11.592 8.278 -8.103 1.00 0.00 C ATOM 916 O THR A 62 -11.053 8.974 -8.963 1.00 0.00 O ATOM 917 CB THR A 62 -9.809 6.584 -8.528 1.00 0.00 C ATOM 918 OG1 THR A 62 -8.810 7.595 -8.694 1.00 0.00 O ATOM 919 CG2 THR A 62 -10.436 6.258 -9.876 1.00 0.00 C ATOM 0 H THR A 62 -11.682 5.559 -6.305 1.00 0.00 H new ATOM 0 HA THR A 62 -10.394 7.336 -6.592 1.00 0.00 H new ATOM 0 HB THR A 62 -9.348 5.680 -8.130 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.243 8.465 -8.821 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.661 5.924 -10.566 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.176 5.468 -9.751 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.920 7.149 -10.277 1.00 0.00 H new ATOM 927 N GLU A 63 -12.807 8.528 -7.626 1.00 0.00 N ATOM 928 CA GLU A 63 -13.592 9.663 -8.095 1.00 0.00 C ATOM 929 C GLU A 63 -14.493 10.198 -6.984 1.00 0.00 C ATOM 930 O GLU A 63 -15.501 9.586 -6.639 1.00 0.00 O ATOM 931 CB GLU A 63 -14.441 9.261 -9.303 1.00 0.00 C ATOM 932 CG GLU A 63 -15.324 8.050 -9.051 1.00 0.00 C ATOM 933 CD GLU A 63 -15.846 7.432 -10.333 1.00 0.00 C ATOM 934 OE1 GLU A 63 -15.068 6.736 -11.018 1.00 0.00 O ATOM 935 OE2 GLU A 63 -17.036 7.644 -10.650 1.00 0.00 O ATOM 0 H GLU A 63 -13.269 7.960 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.900 10.452 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.069 10.104 -9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.782 9.051 -10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.758 7.302 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.166 8.343 -8.424 1.00 0.00 H new ATOM 942 N ASN A 64 -14.118 11.346 -6.428 1.00 0.00 N ATOM 943 CA ASN A 64 -14.889 11.965 -5.356 1.00 0.00 C ATOM 944 C ASN A 64 -15.204 10.951 -4.260 1.00 0.00 C ATOM 945 O ASN A 64 -16.346 10.840 -3.812 1.00 0.00 O ATOM 946 CB ASN A 64 -16.188 12.554 -5.909 1.00 0.00 C ATOM 947 CG ASN A 64 -16.002 13.177 -7.279 1.00 0.00 C ATOM 948 OD1 ASN A 64 -15.858 14.394 -7.406 1.00 0.00 O ATOM 949 ND2 ASN A 64 -16.005 12.345 -8.314 1.00 0.00 N ATOM 0 H ASN A 64 -13.285 11.866 -6.702 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.289 12.767 -4.925 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.943 11.770 -5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -16.565 13.308 -5.218 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.885 12.707 -9.260 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.127 11.344 -8.163 1.00 0.00 H new ATOM 956 N LEU A 65 -14.185 10.216 -3.831 1.00 0.00 N ATOM 957 CA LEU A 65 -14.352 9.212 -2.786 1.00 0.00 C ATOM 958 C LEU A 65 -14.880 9.845 -1.503 1.00 0.00 C ATOM 959 O LEU A 65 -14.851 11.064 -1.342 1.00 0.00 O ATOM 960 CB LEU A 65 -13.021 8.508 -2.510 1.00 0.00 C ATOM 961 CG LEU A 65 -12.605 7.441 -3.522 1.00 0.00 C ATOM 962 CD1 LEU A 65 -11.089 7.360 -3.619 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.190 6.089 -3.144 1.00 0.00 C ATOM 0 H LEU A 65 -13.234 10.296 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 65 -15.079 8.478 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.236 9.263 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.075 8.045 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.997 7.723 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.811 6.595 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.693 8.324 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.675 7.103 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.883 5.342 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.829 5.799 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.278 6.155 -3.128 1.00 0.00 H new ATOM 975 N ASN A 66 -15.363 9.007 -0.590 1.00 0.00 N ATOM 976 CA ASN A 66 -15.897 9.484 0.680 1.00 0.00 C ATOM 977 C ASN A 66 -15.869 8.380 1.731 1.00 0.00 C ATOM 978 O ASN A 66 -15.674 7.207 1.410 1.00 0.00 O ATOM 979 CB ASN A 66 -17.328 9.993 0.496 1.00 0.00 C ATOM 980 CG ASN A 66 -18.349 8.872 0.527 1.00 0.00 C ATOM 981 OD1 ASN A 66 -19.019 8.656 1.537 1.00 0.00 O ATOM 982 ND2 ASN A 66 -18.471 8.152 -0.582 1.00 0.00 N ATOM 0 H ASN A 66 -15.395 7.994 -0.707 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.268 10.305 1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -17.559 10.713 1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.403 10.523 -0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.141 7.384 -0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.895 8.367 -1.396 1.00 0.00 H new ATOM 989 N ASP A 67 -16.067 8.761 2.988 1.00 0.00 N ATOM 990 CA ASP A 67 -16.068 7.802 4.087 1.00 0.00 C ATOM 991 C ASP A 67 -16.739 6.498 3.671 1.00 0.00 C ATOM 992 O ASP A 67 -16.378 5.422 4.148 1.00 0.00 O ATOM 993 CB ASP A 67 -16.780 8.392 5.305 1.00 0.00 C ATOM 994 CG ASP A 67 -15.955 9.456 6.001 1.00 0.00 C ATOM 995 OD1 ASP A 67 -16.059 10.638 5.613 1.00 0.00 O ATOM 996 OD2 ASP A 67 -15.203 9.106 6.936 1.00 0.00 O ATOM 0 H ASP A 67 -16.229 9.727 3.272 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.032 7.587 4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -17.732 8.822 4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -17.007 7.593 6.011 1.00 0.00 H new ATOM 1001 N ASP A 68 -17.718 6.601 2.779 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.441 5.429 2.299 1.00 0.00 C ATOM 1003 C ASP A 68 -17.607 4.657 1.281 1.00 0.00 C ATOM 1004 O ASP A 68 -17.274 3.492 1.495 1.00 0.00 O ATOM 1005 CB ASP A 68 -19.773 5.846 1.673 1.00 0.00 C ATOM 1006 CG ASP A 68 -20.837 4.776 1.811 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -20.472 3.589 1.940 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -22.036 5.126 1.791 1.00 0.00 O ATOM 0 H ASP A 68 -18.029 7.484 2.374 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.637 4.779 3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.122 6.764 2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.621 6.069 0.617 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.275 5.313 0.174 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.482 4.686 -0.877 1.00 0.00 C ATOM 1015 C GLU A 69 -15.073 4.374 -0.382 1.00 0.00 C ATOM 1016 O GLU A 69 -14.629 3.226 -0.419 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.414 5.595 -2.106 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.776 6.039 -2.610 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.356 5.089 -3.640 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -18.861 4.019 -3.240 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.305 5.414 -4.845 1.00 0.00 O ATOM 0 H GLU A 69 -17.543 6.278 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 69 -16.967 3.750 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.821 6.477 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.893 5.071 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.463 6.118 -1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.691 7.034 -3.047 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.373 5.404 0.082 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.015 5.243 0.585 1.00 0.00 C ATOM 1030 C LYS A 70 -12.857 3.908 1.305 1.00 0.00 C ATOM 1031 O LYS A 70 -11.842 3.225 1.153 1.00 0.00 O ATOM 1032 CB LYS A 70 -12.660 6.391 1.533 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.419 7.713 0.825 1.00 0.00 C ATOM 1034 CD LYS A 70 -11.772 8.731 1.748 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.476 10.033 1.021 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.002 11.093 1.954 1.00 0.00 N ATOM 0 H LYS A 70 -14.725 6.361 0.120 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.335 5.260 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.467 6.517 2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.767 6.122 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.780 7.550 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.366 8.106 0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.431 8.927 2.594 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.847 8.321 2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.720 9.858 0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.375 10.375 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.371 12.016 1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.342 10.887 2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.962 11.118 1.952 1.00 0.00 H new ATOM 1050 N LEU A 71 -13.865 3.539 2.087 1.00 0.00 N ATOM 1051 CA LEU A 71 -13.838 2.284 2.829 1.00 0.00 C ATOM 1052 C LEU A 71 -13.697 1.096 1.885 1.00 0.00 C ATOM 1053 O LEU A 71 -12.729 0.340 1.961 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.110 2.137 3.667 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.378 0.745 4.241 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.228 0.305 5.134 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -16.690 0.730 5.011 1.00 0.00 C ATOM 0 H LEU A 71 -14.712 4.091 2.224 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.973 2.301 3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.061 2.846 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.962 2.425 3.051 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.457 0.040 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.437 -0.688 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.306 0.276 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.116 1.011 5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.865 -0.268 5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -16.639 1.447 5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.507 1.000 4.342 1.00 0.00 H new ATOM 1069 N ASN A 72 -14.669 0.937 0.992 1.00 0.00 N ATOM 1070 CA ASN A 72 -14.652 -0.159 0.031 1.00 0.00 C ATOM 1071 C ASN A 72 -13.258 -0.343 -0.561 1.00 0.00 C ATOM 1072 O ASN A 72 -12.776 -1.466 -0.701 1.00 0.00 O ATOM 1073 CB ASN A 72 -15.663 0.101 -1.088 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.092 0.130 -0.582 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -17.805 -0.872 -0.642 1.00 0.00 O ATOM 1076 ND2 ASN A 72 -17.518 1.283 -0.078 1.00 0.00 N ATOM 0 H ASN A 72 -15.478 1.553 0.914 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.928 -1.074 0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.432 1.051 -1.569 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.566 -0.673 -1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.470 1.363 0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -16.893 2.088 -0.048 1.00 0.00 H new ATOM 1083 N ASN A 73 -12.616 0.768 -0.905 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.277 0.730 -1.481 1.00 0.00 C ATOM 1085 C ASN A 73 -10.276 0.138 -0.493 1.00 0.00 C ATOM 1086 O ASN A 73 -9.465 -0.715 -0.851 1.00 0.00 O ATOM 1087 CB ASN A 73 -10.834 2.137 -1.891 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.221 2.471 -3.318 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -11.714 1.618 -4.055 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -10.998 3.719 -3.714 1.00 0.00 N ATOM 0 H ASN A 73 -13.001 1.706 -0.795 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.308 0.094 -2.366 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.281 2.867 -1.216 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.753 2.221 -1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.238 4.003 -4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.587 4.393 -3.068 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.341 0.597 0.753 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.443 0.110 1.793 1.00 0.00 C ATOM 1099 C ALA A 74 -9.646 -1.381 2.041 1.00 0.00 C ATOM 1100 O ALA A 74 -8.683 -2.129 2.207 1.00 0.00 O ATOM 1101 CB ALA A 74 -9.654 0.894 3.081 1.00 0.00 C ATOM 0 H ALA A 74 -11.005 1.305 1.066 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.418 0.259 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.977 0.520 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.452 1.950 2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.684 0.774 3.415 1.00 0.00 H new ATOM 1107 N LYS A 75 -10.904 -1.806 2.064 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.234 -3.208 2.291 1.00 0.00 C ATOM 1109 C LYS A 75 -10.666 -4.087 1.181 1.00 0.00 C ATOM 1110 O LYS A 75 -10.216 -5.205 1.431 1.00 0.00 O ATOM 1111 CB LYS A 75 -12.752 -3.390 2.373 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.425 -2.447 3.356 1.00 0.00 C ATOM 1113 CD LYS A 75 -14.675 -3.067 3.957 1.00 0.00 C ATOM 1114 CE LYS A 75 -15.734 -3.325 2.896 1.00 0.00 C ATOM 1115 NZ LYS A 75 -16.567 -2.117 2.639 1.00 0.00 N ATOM 0 H LYS A 75 -11.713 -1.199 1.928 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.786 -3.512 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.182 -3.237 1.383 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.971 -4.418 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.726 -2.191 4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.686 -1.518 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.417 -4.004 4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.079 -2.405 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.252 -3.637 1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.375 -4.147 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.387 -2.379 2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.897 -1.724 3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.999 -1.404 2.138 1.00 0.00 H new ATOM 1129 N TYR A 76 -10.689 -3.574 -0.043 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.176 -4.313 -1.191 1.00 0.00 C ATOM 1131 C TYR A 76 -8.651 -4.331 -1.191 1.00 0.00 C ATOM 1132 O TYR A 76 -8.031 -5.379 -1.373 1.00 0.00 O ATOM 1133 CB TYR A 76 -10.690 -3.694 -2.493 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.505 -4.585 -3.700 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -11.129 -5.824 -3.776 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.706 -4.189 -4.766 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -10.964 -6.642 -4.876 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -9.537 -4.999 -5.871 1.00 0.00 C ATOM 1139 CZ TYR A 76 -10.167 -6.225 -5.922 1.00 0.00 C ATOM 1140 OH TYR A 76 -9.999 -7.036 -7.021 1.00 0.00 O ATOM 0 H TYR A 76 -11.057 -2.649 -0.267 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.533 -5.340 -1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.749 -3.462 -2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.173 -2.750 -2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.755 -6.153 -2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.209 -3.231 -4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.456 -7.603 -4.917 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.914 -4.674 -6.692 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.059 -7.023 -7.296 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.051 -3.163 -0.984 1.00 0.00 N ATOM 1151 CA ALA A 77 -6.599 -3.044 -0.957 1.00 0.00 C ATOM 1152 C ALA A 77 -5.986 -4.034 0.028 1.00 0.00 C ATOM 1153 O ALA A 77 -5.092 -4.804 -0.327 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.193 -1.622 -0.601 1.00 0.00 C ATOM 0 H ALA A 77 -8.549 -2.286 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.221 -3.280 -1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.106 -1.547 -0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.593 -0.933 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.589 -1.366 0.382 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.469 -4.007 1.265 1.00 0.00 N ATOM 1161 CA ILE A 78 -5.968 -4.903 2.300 1.00 0.00 C ATOM 1162 C ILE A 78 -6.260 -6.359 1.955 1.00 0.00 C ATOM 1163 O ILE A 78 -5.379 -7.215 2.038 1.00 0.00 O ATOM 1164 CB ILE A 78 -6.586 -4.577 3.673 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.204 -3.161 4.106 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.135 -5.594 4.711 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.068 -2.617 5.223 1.00 0.00 C ATOM 0 H ILE A 78 -7.207 -3.375 1.575 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.889 -4.755 2.352 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.671 -4.630 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.163 -3.157 4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.274 -2.495 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.580 -5.351 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.453 -6.591 4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.049 -5.570 4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.740 -1.609 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.108 -2.589 4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.979 -3.260 6.098 1.00 0.00 H new ATOM 1179 N SER A 79 -7.501 -6.632 1.567 1.00 0.00 N ATOM 1180 CA SER A 79 -7.910 -7.986 1.212 1.00 0.00 C ATOM 1181 C SER A 79 -6.937 -8.602 0.210 1.00 0.00 C ATOM 1182 O SER A 79 -6.461 -9.720 0.400 1.00 0.00 O ATOM 1183 CB SER A 79 -9.323 -7.977 0.627 1.00 0.00 C ATOM 1184 OG SER A 79 -10.297 -8.145 1.644 1.00 0.00 O ATOM 0 H SER A 79 -8.241 -5.934 1.490 1.00 0.00 H new ATOM 0 HA SER A 79 -7.903 -8.591 2.119 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.497 -7.037 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.420 -8.775 -0.110 1.00 0.00 H new ATOM 0 HG SER A 79 -10.605 -7.267 1.950 1.00 0.00 H new ATOM 1190 N MET A 80 -6.649 -7.863 -0.856 1.00 0.00 N ATOM 1191 CA MET A 80 -5.732 -8.336 -1.887 1.00 0.00 C ATOM 1192 C MET A 80 -4.385 -8.720 -1.282 1.00 0.00 C ATOM 1193 O MET A 80 -3.898 -9.832 -1.484 1.00 0.00 O ATOM 1194 CB MET A 80 -5.535 -7.259 -2.957 1.00 0.00 C ATOM 1195 CG MET A 80 -6.808 -6.917 -3.714 1.00 0.00 C ATOM 1196 SD MET A 80 -7.055 -7.959 -5.165 1.00 0.00 S ATOM 1197 CE MET A 80 -8.450 -8.949 -4.637 1.00 0.00 C ATOM 0 H MET A 80 -7.037 -6.935 -1.029 1.00 0.00 H new ATOM 0 HA MET A 80 -6.169 -9.222 -2.348 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.148 -6.356 -2.485 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.779 -7.597 -3.666 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.663 -7.023 -3.046 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.773 -5.872 -4.023 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.130 -9.096 -5.476 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.096 -9.917 -4.283 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.974 -8.438 -3.830 1.00 0.00 H new ATOM 1207 N ALA A 81 -3.788 -7.791 -0.542 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.498 -8.034 0.094 1.00 0.00 C ATOM 1209 C ALA A 81 -2.417 -9.453 0.647 1.00 0.00 C ATOM 1210 O ALA A 81 -1.482 -10.195 0.343 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.256 -7.020 1.200 1.00 0.00 C ATOM 0 H ALA A 81 -4.176 -6.864 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.721 -7.922 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.290 -7.213 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.261 -6.014 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.043 -7.104 1.949 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.400 -9.823 1.460 1.00 0.00 N ATOM 1218 CA ARG A 82 -3.438 -11.152 2.057 1.00 0.00 C ATOM 1219 C ARG A 82 -3.667 -12.221 0.991 1.00 0.00 C ATOM 1220 O ARG A 82 -3.116 -13.319 1.070 1.00 0.00 O ATOM 1221 CB ARG A 82 -4.541 -11.229 3.115 1.00 0.00 C ATOM 1222 CG ARG A 82 -4.333 -12.338 4.133 1.00 0.00 C ATOM 1223 CD ARG A 82 -5.546 -12.501 5.036 1.00 0.00 C ATOM 1224 NE ARG A 82 -6.752 -12.827 4.278 1.00 0.00 N ATOM 1225 CZ ARG A 82 -7.545 -11.912 3.731 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -7.263 -10.624 3.856 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -8.624 -12.288 3.057 1.00 0.00 N ATOM 0 H ARG A 82 -4.181 -9.221 1.721 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.474 -11.336 2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.599 -10.274 3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.499 -11.379 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.135 -13.276 3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.454 -12.117 4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.352 -13.288 5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.708 -11.580 5.596 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.998 -13.810 4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.434 -10.331 4.374 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.874 -9.925 3.434 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.844 -13.279 2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.233 -11.586 2.637 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.483 -11.891 -0.004 1.00 0.00 N ATOM 1242 CA LYS A 83 -4.784 -12.821 -1.086 1.00 0.00 C ATOM 1243 C LYS A 83 -3.508 -13.262 -1.795 1.00 0.00 C ATOM 1244 O LYS A 83 -3.251 -14.458 -1.940 1.00 0.00 O ATOM 1245 CB LYS A 83 -5.740 -12.172 -2.091 1.00 0.00 C ATOM 1246 CG LYS A 83 -6.554 -13.176 -2.889 1.00 0.00 C ATOM 1247 CD LYS A 83 -7.749 -13.680 -2.098 1.00 0.00 C ATOM 1248 CE LYS A 83 -8.189 -15.058 -2.570 1.00 0.00 C ATOM 1249 NZ LYS A 83 -7.462 -16.146 -1.859 1.00 0.00 N ATOM 0 H LYS A 83 -4.948 -10.987 -0.084 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.261 -13.701 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.420 -11.508 -1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.165 -11.553 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.898 -12.714 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.921 -14.018 -3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.494 -13.721 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.577 -12.978 -2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.261 -15.172 -2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.017 -15.147 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.790 -17.069 -2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.441 -16.053 -2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.647 -16.077 -0.838 1.00 0.00 H new ATOM 1263 N ILE A 84 -2.713 -12.292 -2.232 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.464 -12.582 -2.924 1.00 0.00 C ATOM 1265 C ILE A 84 -0.445 -13.212 -1.978 1.00 0.00 C ATOM 1266 O ILE A 84 0.540 -13.804 -2.416 1.00 0.00 O ATOM 1267 CB ILE A 84 -0.853 -11.310 -3.541 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -0.699 -10.222 -2.477 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -1.716 -10.813 -4.692 1.00 0.00 C ATOM 1270 CD1 ILE A 84 0.276 -9.133 -2.863 1.00 0.00 C ATOM 0 H ILE A 84 -2.912 -11.298 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.702 -13.286 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 84 0.136 -11.553 -3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.674 -9.774 -2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.368 -10.681 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.272 -9.914 -5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.779 -11.585 -5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.716 -10.584 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.335 -8.396 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.261 -9.569 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.064 -8.648 -3.778 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.693 -13.082 -0.679 1.00 0.00 N ATOM 1283 CA GLY A 85 0.209 -13.645 0.308 1.00 0.00 C ATOM 1284 C GLY A 85 0.451 -12.707 1.474 1.00 0.00 C ATOM 1285 O GLY A 85 -0.016 -12.954 2.586 1.00 0.00 O ATOM 0 H GLY A 85 -1.503 -12.597 -0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.204 -14.583 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.161 -13.882 -0.167 1.00 0.00 H new ATOM 1289 N ALA A 86 1.186 -11.629 1.222 1.00 0.00 N ATOM 1290 CA ALA A 86 1.489 -10.651 2.258 1.00 0.00 C ATOM 1291 C ALA A 86 0.325 -10.506 3.233 1.00 0.00 C ATOM 1292 O ALA A 86 -0.682 -9.871 2.921 1.00 0.00 O ATOM 1293 CB ALA A 86 1.827 -9.306 1.633 1.00 0.00 C ATOM 0 H ALA A 86 1.583 -11.411 0.308 1.00 0.00 H new ATOM 0 HA ALA A 86 2.355 -11.007 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.051 -8.585 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.695 -9.415 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.978 -8.953 1.048 1.00 0.00 H new ATOM 1299 N ARG A 87 0.470 -11.098 4.415 1.00 0.00 N ATOM 1300 CA ARG A 87 -0.570 -11.035 5.434 1.00 0.00 C ATOM 1301 C ARG A 87 -0.928 -9.587 5.756 1.00 0.00 C ATOM 1302 O ARG A 87 -0.264 -8.655 5.302 1.00 0.00 O ATOM 1303 CB ARG A 87 -0.113 -11.754 6.704 1.00 0.00 C ATOM 1304 CG ARG A 87 -0.225 -13.268 6.621 1.00 0.00 C ATOM 1305 CD ARG A 87 0.377 -13.938 7.846 1.00 0.00 C ATOM 1306 NE ARG A 87 -0.567 -13.993 8.959 1.00 0.00 N ATOM 1307 CZ ARG A 87 -0.212 -14.253 10.212 1.00 0.00 C ATOM 1308 NH1 ARG A 87 1.060 -14.480 10.510 1.00 0.00 N ATOM 1309 NH2 ARG A 87 -1.129 -14.286 11.170 1.00 0.00 N ATOM 0 H ARG A 87 1.298 -11.627 4.690 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.458 -11.532 5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.923 -11.486 6.910 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.708 -11.400 7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.273 -13.552 6.528 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.283 -13.623 5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.693 -14.949 7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.270 -13.394 8.155 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.553 -13.822 8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.768 -14.455 9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.330 -14.679 11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.108 -14.112 10.945 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.855 -14.486 12.132 1.00 0.00 H new ATOM 1323 N VAL A 88 -1.984 -9.406 6.544 1.00 0.00 N ATOM 1324 CA VAL A 88 -2.431 -8.072 6.928 1.00 0.00 C ATOM 1325 C VAL A 88 -2.969 -8.062 8.355 1.00 0.00 C ATOM 1326 O VAL A 88 -3.762 -8.924 8.735 1.00 0.00 O ATOM 1327 CB VAL A 88 -3.522 -7.550 5.976 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -2.902 -7.013 4.695 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -4.532 -8.646 5.670 1.00 0.00 C ATOM 0 H VAL A 88 -2.545 -10.166 6.928 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.562 -7.417 6.866 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.047 -6.731 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.689 -6.649 4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.222 -6.196 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.350 -7.810 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.296 -8.259 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.024 -9.487 5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.001 -8.978 6.596 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.532 -7.084 9.139 1.00 0.00 N ATOM 1340 CA TYR A 89 -2.969 -6.963 10.525 1.00 0.00 C ATOM 1341 C TYR A 89 -3.509 -5.564 10.806 1.00 0.00 C ATOM 1342 O TYR A 89 -3.464 -5.085 11.938 1.00 0.00 O ATOM 1343 CB TYR A 89 -1.811 -7.274 11.476 1.00 0.00 C ATOM 1344 CG TYR A 89 -2.256 -7.818 12.814 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -2.721 -9.121 12.938 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -2.210 -7.028 13.957 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -3.129 -9.622 14.158 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -2.614 -7.521 15.182 1.00 0.00 C ATOM 1349 CZ TYR A 89 -3.074 -8.817 15.278 1.00 0.00 C ATOM 1350 OH TYR A 89 -3.478 -9.313 16.497 1.00 0.00 O ATOM 0 H TYR A 89 -1.876 -6.363 8.839 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.771 -7.683 10.690 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.147 -7.997 11.002 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.230 -6.366 11.637 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.764 -9.754 12.064 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.852 -6.011 13.886 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.489 -10.637 14.236 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.570 -6.894 16.061 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.375 -8.620 17.182 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.022 -4.915 9.766 1.00 0.00 N ATOM 1361 CA ALA A 90 -4.575 -3.573 9.900 1.00 0.00 C ATOM 1362 C ALA A 90 -6.088 -3.580 9.705 1.00 0.00 C ATOM 1363 O ALA A 90 -6.694 -4.636 9.514 1.00 0.00 O ATOM 1364 CB ALA A 90 -3.917 -2.630 8.903 1.00 0.00 C ATOM 0 H ALA A 90 -4.066 -5.297 8.821 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.367 -3.220 10.910 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.339 -1.631 9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.844 -2.593 9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.096 -2.989 7.890 1.00 0.00 H new ATOM 1370 N LEU A 91 -6.691 -2.398 9.754 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.135 -2.268 9.583 1.00 0.00 C ATOM 1372 C LEU A 91 -8.464 -1.244 8.503 1.00 0.00 C ATOM 1373 O LEU A 91 -7.897 -0.152 8.455 1.00 0.00 O ATOM 1374 CB LEU A 91 -8.789 -1.863 10.905 1.00 0.00 C ATOM 1375 CG LEU A 91 -10.317 -1.935 10.947 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -10.775 -3.348 11.275 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -10.870 -0.945 11.961 1.00 0.00 C ATOM 0 H LEU A 91 -6.204 -1.516 9.911 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.529 -3.235 9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.393 -2.502 11.694 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.487 -0.842 11.140 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.702 -1.669 9.962 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.864 -3.381 11.301 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.409 -4.035 10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.380 -3.642 12.248 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.958 -1.010 11.977 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.478 -1.180 12.950 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.571 0.066 11.683 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.407 -1.600 7.617 1.00 0.00 N ATOM 1390 CA PRO A 92 -9.835 -0.724 6.523 1.00 0.00 C ATOM 1391 C PRO A 92 -10.623 0.483 7.021 1.00 0.00 C ATOM 1392 O PRO A 92 -10.482 1.587 6.497 1.00 0.00 O ATOM 1393 CB PRO A 92 -10.728 -1.631 5.672 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.230 -2.666 6.619 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.124 -2.886 7.615 1.00 0.00 C ATOM 0 HA PRO A 92 -8.987 -0.306 5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.550 -1.071 5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.168 -2.082 4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.141 -2.332 7.115 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.473 -3.590 6.095 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.515 -3.130 8.603 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.473 -3.709 7.318 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.452 0.264 8.037 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.262 1.336 8.606 1.00 0.00 C ATOM 1405 C GLU A 93 -11.380 2.471 9.118 1.00 0.00 C ATOM 1406 O GLU A 93 -11.823 3.614 9.226 1.00 0.00 O ATOM 1407 CB GLU A 93 -13.133 0.798 9.744 1.00 0.00 C ATOM 1408 CG GLU A 93 -14.466 0.237 9.277 1.00 0.00 C ATOM 1409 CD GLU A 93 -15.533 1.304 9.143 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -15.503 2.051 8.143 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -16.399 1.393 10.038 1.00 0.00 O ATOM 0 H GLU A 93 -11.581 -0.644 8.483 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.907 1.727 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.585 0.018 10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.316 1.599 10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.331 -0.259 8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.803 -0.522 9.982 1.00 0.00 H new ATOM 1418 N ASP A 94 -10.131 2.146 9.433 1.00 0.00 N ATOM 1419 CA ASP A 94 -9.187 3.137 9.932 1.00 0.00 C ATOM 1420 C ASP A 94 -8.372 3.737 8.791 1.00 0.00 C ATOM 1421 O ASP A 94 -8.093 4.937 8.775 1.00 0.00 O ATOM 1422 CB ASP A 94 -8.252 2.507 10.965 1.00 0.00 C ATOM 1423 CG ASP A 94 -8.858 2.480 12.355 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -9.902 1.820 12.533 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -8.289 3.120 13.264 1.00 0.00 O ATOM 0 H ASP A 94 -9.749 1.204 9.351 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.756 3.936 10.407 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.009 1.490 10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.316 3.064 10.991 1.00 0.00 H new ATOM 1430 N LEU A 95 -7.991 2.895 7.836 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.208 3.341 6.689 1.00 0.00 C ATOM 1432 C LEU A 95 -7.900 4.495 5.972 1.00 0.00 C ATOM 1433 O LEU A 95 -7.247 5.411 5.473 1.00 0.00 O ATOM 1434 CB LEU A 95 -6.985 2.181 5.717 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.568 2.567 4.297 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.234 3.298 4.313 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.491 1.332 3.410 1.00 0.00 C ATOM 0 H LEU A 95 -8.212 1.899 7.834 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.243 3.692 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.220 1.526 6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.905 1.600 5.659 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.322 3.238 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.953 3.565 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.322 4.203 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.469 2.651 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.193 1.625 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.757 0.636 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.467 0.849 3.373 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.228 4.445 5.926 1.00 0.00 N ATOM 1450 CA VAL A 96 -10.010 5.489 5.273 1.00 0.00 C ATOM 1451 C VAL A 96 -9.569 6.874 5.730 1.00 0.00 C ATOM 1452 O VAL A 96 -9.620 7.836 4.966 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.515 5.321 5.556 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -12.272 6.587 5.182 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -12.067 4.119 4.805 1.00 0.00 C ATOM 0 H VAL A 96 -9.784 3.693 6.333 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.836 5.392 4.201 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.650 5.147 6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.334 6.451 5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.893 7.424 5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.132 6.794 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.131 4.015 5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.922 4.261 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.544 3.218 5.126 1.00 0.00 H new ATOM 1465 N GLU A 97 -9.136 6.968 6.984 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.686 8.236 7.545 1.00 0.00 C ATOM 1467 C GLU A 97 -7.166 8.263 7.679 1.00 0.00 C ATOM 1468 O GLU A 97 -6.623 8.897 8.583 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.334 8.476 8.909 1.00 0.00 C ATOM 1470 CG GLU A 97 -10.853 8.506 8.865 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.400 9.886 8.551 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -10.764 10.608 7.757 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -12.464 10.241 9.100 1.00 0.00 O ATOM 0 H GLU A 97 -9.088 6.180 7.630 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.988 9.032 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.014 7.693 9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.972 9.422 9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.205 7.800 8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.247 8.173 9.825 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.485 7.570 6.773 1.00 0.00 N ATOM 1481 CA VAL A 98 -5.028 7.513 6.789 1.00 0.00 C ATOM 1482 C VAL A 98 -4.503 7.282 8.201 1.00 0.00 C ATOM 1483 O VAL A 98 -3.517 7.891 8.616 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.410 8.808 6.230 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -2.908 8.651 6.054 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -5.072 9.189 4.913 1.00 0.00 C ATOM 0 H VAL A 98 -6.919 7.039 6.018 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.737 6.676 6.154 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.586 9.611 6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.489 9.576 5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.450 8.429 7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.706 7.835 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.623 10.106 4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.929 8.387 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.138 9.347 5.074 1.00 0.00 H new ATOM 1496 N ASN A 99 -5.168 6.396 8.936 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.769 6.083 10.303 1.00 0.00 C ATOM 1498 C ASN A 99 -3.360 5.497 10.337 1.00 0.00 C ATOM 1499 O ASN A 99 -3.116 4.376 9.891 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.757 5.100 10.933 1.00 0.00 C ATOM 1501 CG ASN A 99 -5.893 5.298 12.430 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -4.983 4.978 13.196 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -7.035 5.825 12.856 1.00 0.00 N ATOM 0 H ASN A 99 -5.986 5.882 8.607 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.773 7.009 10.877 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.733 5.219 10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.429 4.080 10.732 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.185 5.979 13.853 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.762 6.076 12.186 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.410 6.273 10.882 1.00 0.00 N ATOM 1511 CA PRO A 100 -1.010 5.851 10.989 1.00 0.00 C ATOM 1512 C PRO A 100 -0.818 4.732 12.006 1.00 0.00 C ATOM 1513 O PRO A 100 0.135 3.957 11.921 1.00 0.00 O ATOM 1514 CB PRO A 100 -0.291 7.122 11.449 1.00 0.00 C ATOM 1515 CG PRO A 100 -1.339 7.918 12.146 1.00 0.00 C ATOM 1516 CD PRO A 100 -2.630 7.620 11.434 1.00 0.00 C ATOM 0 HA PRO A 100 -0.633 5.448 10.049 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.538 6.888 12.117 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.125 7.670 10.603 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.402 7.643 13.199 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.110 8.983 12.108 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.480 7.641 12.116 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.834 8.348 10.649 1.00 0.00 H new ATOM 1524 N LYS A 101 -1.728 4.653 12.970 1.00 0.00 N ATOM 1525 CA LYS A 101 -1.661 3.627 14.005 1.00 0.00 C ATOM 1526 C LYS A 101 -1.990 2.253 13.431 1.00 0.00 C ATOM 1527 O LYS A 101 -1.619 1.228 14.001 1.00 0.00 O ATOM 1528 CB LYS A 101 -2.626 3.960 15.146 1.00 0.00 C ATOM 1529 CG LYS A 101 -2.068 4.962 16.141 1.00 0.00 C ATOM 1530 CD LYS A 101 -2.411 6.389 15.750 1.00 0.00 C ATOM 1531 CE LYS A 101 -2.121 7.363 16.881 1.00 0.00 C ATOM 1532 NZ LYS A 101 -1.851 8.737 16.374 1.00 0.00 N ATOM 0 H LYS A 101 -2.522 5.288 13.057 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.643 3.604 14.394 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.551 4.355 14.725 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.883 3.041 15.673 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.466 4.750 17.133 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.985 4.851 16.202 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.837 6.673 14.868 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.465 6.449 15.478 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.969 7.388 17.565 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.262 7.011 17.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.658 9.371 17.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.026 8.718 15.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.680 9.083 15.851 1.00 0.00 H new ATOM 1546 N MET A 102 -2.687 2.241 12.300 1.00 0.00 N ATOM 1547 CA MET A 102 -3.063 0.992 11.647 1.00 0.00 C ATOM 1548 C MET A 102 -2.183 0.729 10.429 1.00 0.00 C ATOM 1549 O MET A 102 -1.596 -0.345 10.296 1.00 0.00 O ATOM 1550 CB MET A 102 -4.534 1.032 11.231 1.00 0.00 C ATOM 1551 CG MET A 102 -5.496 1.118 12.404 1.00 0.00 C ATOM 1552 SD MET A 102 -5.442 -0.345 13.457 1.00 0.00 S ATOM 1553 CE MET A 102 -5.759 0.380 15.063 1.00 0.00 C ATOM 0 H MET A 102 -3.003 3.082 11.816 1.00 0.00 H new ATOM 0 HA MET A 102 -2.917 0.180 12.359 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.695 1.889 10.577 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.763 0.139 10.649 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.258 1.999 13.000 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.510 1.253 12.028 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.757 -0.402 15.822 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.983 1.110 15.292 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.731 0.874 15.054 1.00 0.00 H new ATOM 1563 N VAL A 103 -2.098 1.714 9.542 1.00 0.00 N ATOM 1564 CA VAL A 103 -1.291 1.589 8.334 1.00 0.00 C ATOM 1565 C VAL A 103 0.096 1.042 8.656 1.00 0.00 C ATOM 1566 O VAL A 103 0.783 0.513 7.783 1.00 0.00 O ATOM 1567 CB VAL A 103 -1.142 2.943 7.615 1.00 0.00 C ATOM 1568 CG1 VAL A 103 -0.223 2.811 6.412 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -2.505 3.477 7.199 1.00 0.00 C ATOM 0 H VAL A 103 -2.579 2.609 9.637 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.811 0.893 7.676 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.693 3.655 8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.130 3.778 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.761 2.476 6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.639 2.085 5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.382 4.434 6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.983 2.768 6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.128 3.612 8.083 1.00 0.00 H new ATOM 1579 N MET A 104 0.501 1.174 9.914 1.00 0.00 N ATOM 1580 CA MET A 104 1.805 0.691 10.352 1.00 0.00 C ATOM 1581 C MET A 104 2.107 -0.680 9.752 1.00 0.00 C ATOM 1582 O MET A 104 3.242 -0.967 9.372 1.00 0.00 O ATOM 1583 CB MET A 104 1.861 0.617 11.879 1.00 0.00 C ATOM 1584 CG MET A 104 0.712 -0.170 12.490 1.00 0.00 C ATOM 1585 SD MET A 104 1.088 -0.773 14.147 1.00 0.00 S ATOM 1586 CE MET A 104 0.085 -2.255 14.204 1.00 0.00 C ATOM 0 H MET A 104 -0.055 1.612 10.649 1.00 0.00 H new ATOM 0 HA MET A 104 2.560 1.395 10.003 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.804 0.160 12.178 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.854 1.629 12.285 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.175 0.462 12.530 1.00 0.00 H new ATOM 0 HG3 MET A 104 0.472 -1.016 11.845 1.00 0.00 H new ATOM 0 HE1 MET A 104 0.210 -2.742 15.171 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.963 -1.991 14.064 1.00 0.00 H new ATOM 0 HE3 MET A 104 0.396 -2.936 13.412 1.00 0.00 H new ATOM 1596 N THR A 105 1.083 -1.523 9.672 1.00 0.00 N ATOM 1597 CA THR A 105 1.238 -2.864 9.121 1.00 0.00 C ATOM 1598 C THR A 105 0.822 -2.907 7.656 1.00 0.00 C ATOM 1599 O THR A 105 1.441 -3.594 6.843 1.00 0.00 O ATOM 1600 CB THR A 105 0.409 -3.894 9.910 1.00 0.00 C ATOM 1601 OG1 THR A 105 0.761 -5.221 9.502 1.00 0.00 O ATOM 1602 CG2 THR A 105 -1.080 -3.670 9.694 1.00 0.00 C ATOM 0 H THR A 105 0.137 -1.301 9.982 1.00 0.00 H new ATOM 0 HA THR A 105 2.294 -3.120 9.203 1.00 0.00 H new ATOM 0 HB THR A 105 0.629 -3.769 10.970 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.231 -5.871 10.009 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.645 -4.409 10.261 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.350 -2.670 10.032 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.313 -3.770 8.634 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.232 -2.168 7.322 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.730 -2.121 5.953 1.00 0.00 C ATOM 1612 C VAL A 106 0.418 -2.136 4.949 1.00 0.00 C ATOM 1613 O VAL A 106 0.361 -2.833 3.936 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.592 -0.867 5.712 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.882 -0.695 4.228 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.885 -0.948 6.509 1.00 0.00 C ATOM 0 H VAL A 106 -0.757 -1.594 7.982 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.345 -3.009 5.810 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.035 0.006 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.492 0.196 4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.944 -0.589 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.419 -1.569 3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.481 -0.054 6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.448 -1.829 6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.653 -1.019 7.572 1.00 0.00 H new ATOM 1626 N PHE A 107 1.459 -1.362 5.238 1.00 0.00 N ATOM 1627 CA PHE A 107 2.621 -1.286 4.360 1.00 0.00 C ATOM 1628 C PHE A 107 3.679 -2.306 4.771 1.00 0.00 C ATOM 1629 O PHE A 107 4.140 -3.101 3.953 1.00 0.00 O ATOM 1630 CB PHE A 107 3.216 0.123 4.389 1.00 0.00 C ATOM 1631 CG PHE A 107 2.544 1.077 3.443 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.275 0.702 2.136 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.179 2.347 3.861 1.00 0.00 C ATOM 1634 CE1 PHE A 107 1.658 1.578 1.264 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.561 3.227 2.993 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.299 2.842 1.693 1.00 0.00 C ATOM 0 H PHE A 107 1.522 -0.779 6.073 1.00 0.00 H new ATOM 0 HA PHE A 107 2.296 -1.515 3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.145 0.518 5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.276 0.066 4.143 1.00 0.00 H new ATOM 0 HD1 PHE A 107 2.551 -0.285 1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.380 2.653 4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.456 1.275 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.283 4.214 3.331 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.815 3.527 1.013 1.00 0.00 H new ATOM 1646 N ALA A 108 4.061 -2.275 6.044 1.00 0.00 N ATOM 1647 CA ALA A 108 5.064 -3.196 6.563 1.00 0.00 C ATOM 1648 C ALA A 108 4.920 -4.577 5.932 1.00 0.00 C ATOM 1649 O ALA A 108 5.899 -5.164 5.471 1.00 0.00 O ATOM 1650 CB ALA A 108 4.958 -3.291 8.077 1.00 0.00 C ATOM 0 H ALA A 108 3.691 -1.622 6.734 1.00 0.00 H new ATOM 0 HA ALA A 108 6.049 -2.808 6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.713 -3.982 8.452 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.118 -2.306 8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.967 -3.653 8.350 1.00 0.00 H new ATOM 1656 N CYS A 109 3.695 -5.090 5.918 1.00 0.00 N ATOM 1657 CA CYS A 109 3.423 -6.403 5.344 1.00 0.00 C ATOM 1658 C CYS A 109 3.817 -6.447 3.872 1.00 0.00 C ATOM 1659 O CYS A 109 4.337 -7.452 3.386 1.00 0.00 O ATOM 1660 CB CYS A 109 1.943 -6.755 5.499 1.00 0.00 C ATOM 1661 SG CYS A 109 0.817 -5.548 4.759 1.00 0.00 S ATOM 0 H CYS A 109 2.875 -4.617 6.297 1.00 0.00 H new ATOM 0 HA CYS A 109 4.022 -7.137 5.883 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.763 -7.730 5.046 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.712 -6.849 6.560 1.00 0.00 H new ATOM 0 HG CYS A 109 0.610 -4.576 5.598 1.00 0.00 H new ATOM 1667 N LEU A 110 3.566 -5.350 3.165 1.00 0.00 N ATOM 1668 CA LEU A 110 3.894 -5.262 1.747 1.00 0.00 C ATOM 1669 C LEU A 110 5.375 -4.957 1.547 1.00 0.00 C ATOM 1670 O LEU A 110 6.120 -5.777 1.010 1.00 0.00 O ATOM 1671 CB LEU A 110 3.044 -4.183 1.073 1.00 0.00 C ATOM 1672 CG LEU A 110 1.540 -4.449 1.019 1.00 0.00 C ATOM 1673 CD1 LEU A 110 0.770 -3.143 0.902 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.203 -5.374 -0.141 1.00 0.00 C ATOM 0 H LEU A 110 3.136 -4.509 3.551 1.00 0.00 H new ATOM 0 HA LEU A 110 3.676 -6.227 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.207 -3.241 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.406 -4.048 0.054 1.00 0.00 H new ATOM 0 HG LEU A 110 1.244 -4.939 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.299 -3.353 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.987 -2.514 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.070 -2.624 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.128 -5.552 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.514 -4.911 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.725 -6.322 -0.014 1.00 0.00 H new