USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=23 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 104 MET CE :methyl -127:sc= -0.251 (180deg=-2.31!) USER MOD Set 1.2: A 105 THR OG1 : rot -76:sc= -0.621 USER MOD Set 2.1: A 76 TYR OH : rot -132:sc= 0.0027 USER MOD Set 2.2: A 80 MET CE :methyl -174:sc= -2.05 (180deg=-1.88) USER MOD Set 3.1: A 38 SER OG : rot -80:sc= 0.776 USER MOD Set 3.2: A 70 LYS NZ :NH3+ 156:sc=-0.00726 (180deg=-0.649) USER MOD Set 4.1: A 25 LYS NZ :NH3+ 150:sc= 0.193 (180deg=0) USER MOD Set 4.2: A 57 TYR OH : rot 34:sc= 0.191 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 17 ASN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 19 THR OG1 : rot 75:sc= 0.409 USER MOD Single : A 26 SER OG : rot -49:sc= 0.0702 USER MOD Single : A 27 SER OG : rot 60:sc= -0.719 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 42:sc= 1.16 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -28:sc= 0.169 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0232 K(o=-0.023,f=-1.5!) USER MOD Single : A 54 SER OG : rot -78:sc= 0.564 USER MOD Single : A 56 ASN : amide:sc= -3.2! K(o=-3.2!,f=-0.92) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -56:sc= 0.885 USER MOD Single : A 64 ASN : amide:sc= -4.64! C(o=-4.6!,f=-3.6!) USER MOD Single : A 66 ASN : amide:sc= -1.27 K(o=-1.3,f=-7.2!) USER MOD Single : A 72 ASN : amide:sc= -0.978! X(o=-0.98!,f=-1.2) USER MOD Single : A 73 ASN : amide:sc= -0.73 K(o=-0.73,f=-2.2!) USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= -0.0148 (180deg=-0.19) USER MOD Single : A 79 SER OG : rot 180:sc= 0 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= -0.956 K(o=-0.96,f=-2.1!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -167:sc= -1.07 (180deg=-1.59) USER MOD Single : A 109 CYS SG : rot -76:sc= -4.94! USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 12.565 3.854 7.452 1.00 0.00 N ATOM 93 CA ASP A 10 12.149 4.957 6.594 1.00 0.00 C ATOM 94 C ASP A 10 12.037 4.504 5.142 1.00 0.00 C ATOM 95 O ASP A 10 11.477 5.210 4.302 1.00 0.00 O ATOM 96 CB ASP A 10 13.139 6.118 6.704 1.00 0.00 C ATOM 97 CG ASP A 10 12.529 7.441 6.282 1.00 0.00 C ATOM 98 OD1 ASP A 10 11.297 7.595 6.415 1.00 0.00 O ATOM 99 OD2 ASP A 10 13.284 8.322 5.818 1.00 0.00 O ATOM 0 HA ASP A 10 11.167 5.294 6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.491 6.195 7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.010 5.909 6.084 1.00 0.00 H new ATOM 104 N ILE A 11 12.572 3.324 4.853 1.00 0.00 N ATOM 105 CA ILE A 11 12.533 2.776 3.502 1.00 0.00 C ATOM 106 C ILE A 11 11.129 2.300 3.144 1.00 0.00 C ATOM 107 O ILE A 11 10.833 2.026 1.980 1.00 0.00 O ATOM 108 CB ILE A 11 13.518 1.604 3.340 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.861 1.400 1.863 1.00 0.00 C ATOM 110 CG2 ILE A 11 12.931 0.332 3.934 1.00 0.00 C ATOM 111 CD1 ILE A 11 15.151 0.640 1.643 1.00 0.00 C ATOM 0 H ILE A 11 13.038 2.727 5.536 1.00 0.00 H new ATOM 0 HA ILE A 11 12.826 3.580 2.826 1.00 0.00 H new ATOM 0 HB ILE A 11 14.436 1.842 3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.045 0.863 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.934 2.373 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.639 -0.487 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.732 0.484 4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.001 0.087 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.332 0.532 0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.977 1.187 2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 11 15.074 -0.347 2.099 1.00 0.00 H new ATOM 123 N ILE A 12 10.268 2.204 4.151 1.00 0.00 N ATOM 124 CA ILE A 12 8.894 1.762 3.942 1.00 0.00 C ATOM 125 C ILE A 12 8.165 2.680 2.967 1.00 0.00 C ATOM 126 O ILE A 12 7.258 2.251 2.253 1.00 0.00 O ATOM 127 CB ILE A 12 8.111 1.714 5.267 1.00 0.00 C ATOM 128 CG1 ILE A 12 8.833 0.823 6.280 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.695 1.211 5.027 1.00 0.00 C ATOM 130 CD1 ILE A 12 8.326 0.985 7.696 1.00 0.00 C ATOM 0 H ILE A 12 10.497 2.426 5.120 1.00 0.00 H new ATOM 0 HA ILE A 12 8.945 0.757 3.523 1.00 0.00 H new ATOM 0 HB ILE A 12 8.054 2.723 5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.722 -0.219 5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.899 1.049 6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.154 1.183 5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.183 1.881 4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.732 0.209 4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.883 0.323 8.360 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.462 2.018 8.015 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.267 0.730 7.735 1.00 0.00 H new ATOM 142 N VAL A 13 8.568 3.947 2.940 1.00 0.00 N ATOM 143 CA VAL A 13 7.955 4.925 2.050 1.00 0.00 C ATOM 144 C VAL A 13 8.604 4.895 0.670 1.00 0.00 C ATOM 145 O VAL A 13 7.918 4.815 -0.347 1.00 0.00 O ATOM 146 CB VAL A 13 8.062 6.350 2.624 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.541 7.369 1.622 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.307 6.451 3.940 1.00 0.00 C ATOM 0 H VAL A 13 9.316 4.319 3.524 1.00 0.00 H new ATOM 0 HA VAL A 13 6.903 4.655 1.960 1.00 0.00 H new ATOM 0 HB VAL A 13 9.112 6.569 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.624 8.370 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.129 7.312 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.496 7.156 1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.393 7.464 4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.256 6.213 3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.730 5.748 4.657 1.00 0.00 H new ATOM 158 N ASN A 14 9.931 4.959 0.645 1.00 0.00 N ATOM 159 CA ASN A 14 10.674 4.940 -0.610 1.00 0.00 C ATOM 160 C ASN A 14 10.330 3.698 -1.426 1.00 0.00 C ATOM 161 O ASN A 14 10.125 3.776 -2.638 1.00 0.00 O ATOM 162 CB ASN A 14 12.179 4.983 -0.337 1.00 0.00 C ATOM 163 CG ASN A 14 12.981 4.268 -1.406 1.00 0.00 C ATOM 164 OD1 ASN A 14 13.327 3.095 -1.258 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.282 4.972 -2.492 1.00 0.00 N ATOM 0 H ASN A 14 10.514 5.024 1.479 1.00 0.00 H new ATOM 0 HA ASN A 14 10.390 5.822 -1.185 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.505 6.021 -0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.383 4.527 0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.820 4.543 -3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.975 5.941 -2.573 1.00 0.00 H new ATOM 172 N TRP A 15 10.266 2.554 -0.754 1.00 0.00 N ATOM 173 CA TRP A 15 9.946 1.295 -1.418 1.00 0.00 C ATOM 174 C TRP A 15 8.674 1.426 -2.248 1.00 0.00 C ATOM 175 O TRP A 15 8.631 1.007 -3.406 1.00 0.00 O ATOM 176 CB TRP A 15 9.783 0.178 -0.385 1.00 0.00 C ATOM 177 CG TRP A 15 9.683 -1.186 -0.996 1.00 0.00 C ATOM 178 CD1 TRP A 15 10.717 -2.018 -1.319 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.483 -1.876 -1.361 1.00 0.00 C ATOM 180 NE1 TRP A 15 10.232 -3.183 -1.862 1.00 0.00 N ATOM 181 CE2 TRP A 15 8.864 -3.121 -1.898 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.122 -1.564 -1.285 1.00 0.00 C ATOM 183 CZ2 TRP A 15 7.934 -4.051 -2.355 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.201 -2.487 -1.740 1.00 0.00 C ATOM 185 CH2 TRP A 15 6.609 -3.718 -2.269 1.00 0.00 C ATOM 0 H TRP A 15 10.431 2.472 0.249 1.00 0.00 H new ATOM 0 HA TRP A 15 10.770 1.045 -2.087 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.630 0.200 0.300 1.00 0.00 H new ATOM 0 HB3 TRP A 15 8.889 0.369 0.208 1.00 0.00 H new ATOM 0 HD1 TRP A 15 11.763 -1.793 -1.169 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.799 -3.967 -2.186 1.00 0.00 H new ATOM 0 HE3 TRP A 15 6.797 -0.618 -0.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 8.247 -5.001 -2.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.147 -2.255 -1.687 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.864 -4.418 -2.616 1.00 0.00 H new ATOM 196 N VAL A 16 7.639 2.008 -1.651 1.00 0.00 N ATOM 197 CA VAL A 16 6.367 2.195 -2.337 1.00 0.00 C ATOM 198 C VAL A 16 6.536 3.052 -3.587 1.00 0.00 C ATOM 199 O VAL A 16 6.037 2.711 -4.658 1.00 0.00 O ATOM 200 CB VAL A 16 5.323 2.852 -1.415 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.025 3.100 -2.168 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.080 1.989 -0.186 1.00 0.00 C ATOM 0 H VAL A 16 7.657 2.358 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 16 6.015 1.204 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 16 5.712 3.815 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.300 3.565 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.215 3.761 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.628 2.152 -2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.340 2.468 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.713 1.010 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.013 1.869 0.365 1.00 0.00 H new ATOM 212 N ASN A 17 7.245 4.167 -3.441 1.00 0.00 N ATOM 213 CA ASN A 17 7.481 5.073 -4.558 1.00 0.00 C ATOM 214 C ASN A 17 8.091 4.330 -5.743 1.00 0.00 C ATOM 215 O ASN A 17 7.580 4.400 -6.861 1.00 0.00 O ATOM 216 CB ASN A 17 8.405 6.215 -4.128 1.00 0.00 C ATOM 217 CG ASN A 17 7.655 7.335 -3.433 1.00 0.00 C ATOM 218 OD1 ASN A 17 7.587 8.457 -3.934 1.00 0.00 O ATOM 219 ND2 ASN A 17 7.087 7.034 -2.270 1.00 0.00 N ATOM 0 H ASN A 17 7.666 4.464 -2.560 1.00 0.00 H new ATOM 0 HA ASN A 17 6.521 5.487 -4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.172 5.826 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.918 6.613 -5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.569 7.747 -1.756 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.169 6.090 -1.892 1.00 0.00 H new ATOM 226 N GLU A 18 9.184 3.619 -5.489 1.00 0.00 N ATOM 227 CA GLU A 18 9.863 2.863 -6.536 1.00 0.00 C ATOM 228 C GLU A 18 8.911 1.868 -7.193 1.00 0.00 C ATOM 229 O GLU A 18 8.676 1.919 -8.401 1.00 0.00 O ATOM 230 CB GLU A 18 11.072 2.124 -5.959 1.00 0.00 C ATOM 231 CG GLU A 18 12.358 2.932 -6.003 1.00 0.00 C ATOM 232 CD GLU A 18 13.595 2.067 -5.864 1.00 0.00 C ATOM 233 OE1 GLU A 18 13.567 0.912 -6.340 1.00 0.00 O ATOM 234 OE2 GLU A 18 14.591 2.544 -5.282 1.00 0.00 O ATOM 0 H GLU A 18 9.619 3.550 -4.569 1.00 0.00 H new ATOM 0 HA GLU A 18 10.205 3.568 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.860 1.850 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.217 1.196 -6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.406 3.480 -6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.345 3.672 -5.203 1.00 0.00 H new ATOM 241 N THR A 19 8.364 0.961 -6.388 1.00 0.00 N ATOM 242 CA THR A 19 7.438 -0.047 -6.891 1.00 0.00 C ATOM 243 C THR A 19 6.467 0.553 -7.900 1.00 0.00 C ATOM 244 O THR A 19 6.098 -0.093 -8.881 1.00 0.00 O ATOM 245 CB THR A 19 6.637 -0.694 -5.745 1.00 0.00 C ATOM 246 OG1 THR A 19 7.523 -1.379 -4.852 1.00 0.00 O ATOM 247 CG2 THR A 19 5.605 -1.669 -6.290 1.00 0.00 C ATOM 0 H THR A 19 8.546 0.904 -5.386 1.00 0.00 H new ATOM 0 HA THR A 19 8.039 -0.812 -7.382 1.00 0.00 H new ATOM 0 HB THR A 19 6.117 0.097 -5.204 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.997 -0.726 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.052 -2.113 -5.463 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.914 -1.139 -6.945 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.109 -2.455 -6.853 1.00 0.00 H new ATOM 255 N LEU A 20 6.055 1.792 -7.654 1.00 0.00 N ATOM 256 CA LEU A 20 5.126 2.480 -8.543 1.00 0.00 C ATOM 257 C LEU A 20 5.844 3.003 -9.784 1.00 0.00 C ATOM 258 O LEU A 20 5.357 2.853 -10.904 1.00 0.00 O ATOM 259 CB LEU A 20 4.448 3.638 -7.807 1.00 0.00 C ATOM 260 CG LEU A 20 3.522 3.248 -6.655 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.446 4.370 -5.630 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.134 2.906 -7.177 1.00 0.00 C ATOM 0 H LEU A 20 6.350 2.340 -6.846 1.00 0.00 H new ATOM 0 HA LEU A 20 4.368 1.764 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.223 4.298 -7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.872 4.215 -8.531 1.00 0.00 H new ATOM 0 HG LEU A 20 3.932 2.364 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.783 4.076 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.442 4.568 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.059 5.271 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.489 2.631 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.715 3.772 -7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.203 2.070 -7.873 1.00 0.00 H new ATOM 274 N ARG A 21 7.005 3.614 -9.575 1.00 0.00 N ATOM 275 CA ARG A 21 7.791 4.157 -10.676 1.00 0.00 C ATOM 276 C ARG A 21 8.119 3.072 -11.697 1.00 0.00 C ATOM 277 O ARG A 21 7.896 3.247 -12.895 1.00 0.00 O ATOM 278 CB ARG A 21 9.084 4.782 -10.148 1.00 0.00 C ATOM 279 CG ARG A 21 9.821 5.619 -11.181 1.00 0.00 C ATOM 280 CD ARG A 21 10.732 6.643 -10.522 1.00 0.00 C ATOM 281 NE ARG A 21 11.893 6.957 -11.350 1.00 0.00 N ATOM 282 CZ ARG A 21 11.824 7.667 -12.472 1.00 0.00 C ATOM 283 NH1 ARG A 21 10.657 8.131 -12.896 1.00 0.00 N ATOM 284 NH2 ARG A 21 12.925 7.912 -13.171 1.00 0.00 N ATOM 0 H ARG A 21 7.422 3.745 -8.654 1.00 0.00 H new ATOM 0 HA ARG A 21 7.197 4.927 -11.168 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.850 5.407 -9.286 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.744 3.989 -9.797 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.411 4.967 -11.825 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.100 6.130 -11.819 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.169 7.556 -10.326 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.067 6.262 -9.557 1.00 0.00 H new ATOM 0 HE ARG A 21 12.806 6.613 -11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.809 7.944 -12.361 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.607 8.675 -13.757 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.824 7.556 -12.848 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.872 8.457 -14.032 1.00 0.00 H new ATOM 298 N GLU A 22 8.648 1.953 -11.216 1.00 0.00 N ATOM 299 CA GLU A 22 9.007 0.840 -12.087 1.00 0.00 C ATOM 300 C GLU A 22 7.778 0.302 -12.817 1.00 0.00 C ATOM 301 O GLU A 22 7.891 -0.290 -13.890 1.00 0.00 O ATOM 302 CB GLU A 22 9.663 -0.280 -11.278 1.00 0.00 C ATOM 303 CG GLU A 22 8.700 -1.013 -10.361 1.00 0.00 C ATOM 304 CD GLU A 22 9.247 -2.345 -9.884 1.00 0.00 C ATOM 305 OE1 GLU A 22 10.062 -2.349 -8.939 1.00 0.00 O ATOM 306 OE2 GLU A 22 8.859 -3.385 -10.458 1.00 0.00 O ATOM 0 H GLU A 22 8.838 1.792 -10.227 1.00 0.00 H new ATOM 0 HA GLU A 22 9.718 1.207 -12.828 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.114 -0.996 -11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.471 0.141 -10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.478 -0.386 -9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.759 -1.178 -10.886 1.00 0.00 H new ATOM 313 N ALA A 23 6.607 0.513 -12.226 1.00 0.00 N ATOM 314 CA ALA A 23 5.358 0.053 -12.819 1.00 0.00 C ATOM 315 C ALA A 23 4.714 1.147 -13.662 1.00 0.00 C ATOM 316 O ALA A 23 3.769 0.893 -14.409 1.00 0.00 O ATOM 317 CB ALA A 23 4.399 -0.415 -11.734 1.00 0.00 C ATOM 0 H ALA A 23 6.497 1.000 -11.336 1.00 0.00 H new ATOM 0 HA ALA A 23 5.584 -0.787 -13.475 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.470 -0.756 -12.192 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.852 -1.236 -11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.187 0.411 -11.055 1.00 0.00 H new ATOM 323 N GLU A 24 5.229 2.366 -13.535 1.00 0.00 N ATOM 324 CA GLU A 24 4.701 3.500 -14.284 1.00 0.00 C ATOM 325 C GLU A 24 3.338 3.923 -13.742 1.00 0.00 C ATOM 326 O GLU A 24 2.401 4.161 -14.503 1.00 0.00 O ATOM 327 CB GLU A 24 4.584 3.149 -15.769 1.00 0.00 C ATOM 328 CG GLU A 24 5.810 2.445 -16.326 1.00 0.00 C ATOM 329 CD GLU A 24 5.497 1.609 -17.550 1.00 0.00 C ATOM 330 OE1 GLU A 24 4.907 2.153 -18.506 1.00 0.00 O ATOM 331 OE2 GLU A 24 5.842 0.408 -17.553 1.00 0.00 O ATOM 0 H GLU A 24 6.011 2.593 -12.921 1.00 0.00 H new ATOM 0 HA GLU A 24 5.394 4.333 -14.168 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.712 2.512 -15.916 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.411 4.063 -16.337 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.566 3.188 -16.582 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.239 1.806 -15.554 1.00 0.00 H new ATOM 338 N LYS A 25 3.237 4.016 -12.420 1.00 0.00 N ATOM 339 CA LYS A 25 1.991 4.411 -11.774 1.00 0.00 C ATOM 340 C LYS A 25 1.977 5.910 -11.490 1.00 0.00 C ATOM 341 O LYS A 25 3.026 6.522 -11.287 1.00 0.00 O ATOM 342 CB LYS A 25 1.799 3.631 -10.471 1.00 0.00 C ATOM 343 CG LYS A 25 1.027 2.335 -10.647 1.00 0.00 C ATOM 344 CD LYS A 25 1.562 1.520 -11.812 1.00 0.00 C ATOM 345 CE LYS A 25 0.703 0.293 -12.075 1.00 0.00 C ATOM 346 NZ LYS A 25 -0.548 0.637 -12.804 1.00 0.00 N ATOM 0 H LYS A 25 4.003 3.823 -11.775 1.00 0.00 H new ATOM 0 HA LYS A 25 1.169 4.180 -12.452 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.777 3.407 -10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.275 4.262 -9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.089 1.747 -9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.027 2.558 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.595 2.141 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.586 1.210 -11.601 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.274 -0.432 -12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.452 -0.184 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.840 -0.169 -13.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.300 0.856 -12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.380 1.465 -13.410 1.00 0.00 H new ATOM 360 N SER A 26 0.784 6.493 -11.473 1.00 0.00 N ATOM 361 CA SER A 26 0.634 7.921 -11.215 1.00 0.00 C ATOM 362 C SER A 26 0.349 8.179 -9.739 1.00 0.00 C ATOM 363 O SER A 26 -0.091 9.264 -9.361 1.00 0.00 O ATOM 364 CB SER A 26 -0.493 8.501 -12.072 1.00 0.00 C ATOM 365 OG SER A 26 -0.346 9.901 -12.229 1.00 0.00 O ATOM 0 H SER A 26 -0.094 5.999 -11.635 1.00 0.00 H new ATOM 0 HA SER A 26 1.571 8.412 -11.478 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.494 8.020 -13.050 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.455 8.283 -11.609 1.00 0.00 H new ATOM 0 HG SER A 26 -0.198 10.315 -11.353 1.00 0.00 H new ATOM 371 N SER A 27 0.604 7.173 -8.909 1.00 0.00 N ATOM 372 CA SER A 27 0.372 7.288 -7.474 1.00 0.00 C ATOM 373 C SER A 27 1.675 7.581 -6.735 1.00 0.00 C ATOM 374 O SER A 27 2.762 7.458 -7.298 1.00 0.00 O ATOM 375 CB SER A 27 -0.257 6.003 -6.932 1.00 0.00 C ATOM 376 OG SER A 27 -0.675 6.166 -5.588 1.00 0.00 O ATOM 0 H SER A 27 0.971 6.269 -9.206 1.00 0.00 H new ATOM 0 HA SER A 27 -0.315 8.118 -7.308 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.110 5.724 -7.550 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.463 5.187 -6.996 1.00 0.00 H new ATOM 0 HG SER A 27 -1.338 6.886 -5.537 1.00 0.00 H new ATOM 382 N SER A 28 1.555 7.970 -5.469 1.00 0.00 N ATOM 383 CA SER A 28 2.721 8.284 -4.652 1.00 0.00 C ATOM 384 C SER A 28 2.310 8.607 -3.219 1.00 0.00 C ATOM 385 O SER A 28 1.153 8.934 -2.953 1.00 0.00 O ATOM 386 CB SER A 28 3.488 9.464 -5.254 1.00 0.00 C ATOM 387 OG SER A 28 2.701 10.642 -5.243 1.00 0.00 O ATOM 0 H SER A 28 0.662 8.075 -4.987 1.00 0.00 H new ATOM 0 HA SER A 28 3.370 7.408 -4.636 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.406 9.631 -4.690 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.781 9.228 -6.277 1.00 0.00 H new ATOM 0 HG SER A 28 3.214 11.382 -5.631 1.00 0.00 H new ATOM 393 N ILE A 29 3.266 8.514 -2.301 1.00 0.00 N ATOM 394 CA ILE A 29 3.004 8.797 -0.896 1.00 0.00 C ATOM 395 C ILE A 29 4.152 9.581 -0.270 1.00 0.00 C ATOM 396 O ILE A 29 5.295 9.125 -0.260 1.00 0.00 O ATOM 397 CB ILE A 29 2.782 7.503 -0.092 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.835 6.458 -0.466 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.381 6.962 -0.334 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.181 5.515 0.666 1.00 0.00 C ATOM 0 H ILE A 29 4.228 8.245 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 29 2.095 9.397 -0.860 1.00 0.00 H new ATOM 0 HB ILE A 29 2.883 7.730 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.473 5.877 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.741 6.968 -0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.240 6.047 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.646 7.704 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.252 6.747 -1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.933 4.802 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.574 6.086 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.286 4.977 0.978 1.00 0.00 H new ATOM 412 N SER A 30 3.840 10.762 0.254 1.00 0.00 N ATOM 413 CA SER A 30 4.846 11.611 0.881 1.00 0.00 C ATOM 414 C SER A 30 5.391 10.962 2.149 1.00 0.00 C ATOM 415 O SER A 30 6.600 10.941 2.380 1.00 0.00 O ATOM 416 CB SER A 30 4.253 12.982 1.210 1.00 0.00 C ATOM 417 OG SER A 30 4.086 13.761 0.039 1.00 0.00 O ATOM 0 H SER A 30 2.898 11.153 0.257 1.00 0.00 H new ATOM 0 HA SER A 30 5.668 11.738 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.291 12.856 1.706 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.906 13.506 1.909 1.00 0.00 H new ATOM 0 HG SER A 30 3.704 14.632 0.277 1.00 0.00 H new ATOM 423 N SER A 31 4.489 10.431 2.970 1.00 0.00 N ATOM 424 CA SER A 31 4.877 9.784 4.217 1.00 0.00 C ATOM 425 C SER A 31 3.701 9.025 4.825 1.00 0.00 C ATOM 426 O SER A 31 2.563 9.156 4.373 1.00 0.00 O ATOM 427 CB SER A 31 5.399 10.822 5.213 1.00 0.00 C ATOM 428 OG SER A 31 6.798 11.001 5.078 1.00 0.00 O ATOM 0 H SER A 31 3.485 10.437 2.793 1.00 0.00 H new ATOM 0 HA SER A 31 5.671 9.071 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.891 11.773 5.052 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.166 10.504 6.229 1.00 0.00 H new ATOM 0 HG SER A 31 7.035 11.018 4.127 1.00 0.00 H new ATOM 434 N PHE A 32 3.985 8.231 5.851 1.00 0.00 N ATOM 435 CA PHE A 32 2.951 7.450 6.522 1.00 0.00 C ATOM 436 C PHE A 32 1.688 8.281 6.727 1.00 0.00 C ATOM 437 O PHE A 32 0.582 7.744 6.795 1.00 0.00 O ATOM 438 CB PHE A 32 3.464 6.938 7.870 1.00 0.00 C ATOM 439 CG PHE A 32 4.488 5.846 7.746 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.195 4.677 7.062 1.00 0.00 C ATOM 441 CD2 PHE A 32 5.744 5.989 8.314 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.136 3.671 6.948 1.00 0.00 C ATOM 443 CE2 PHE A 32 6.689 4.987 8.203 1.00 0.00 C ATOM 444 CZ PHE A 32 6.384 3.827 7.518 1.00 0.00 C ATOM 0 H PHE A 32 4.922 8.111 6.237 1.00 0.00 H new ATOM 0 HA PHE A 32 2.704 6.599 5.888 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.897 7.770 8.425 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.621 6.570 8.455 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.221 4.551 6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.987 6.895 8.850 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.895 2.764 6.414 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.664 5.111 8.651 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.121 3.043 7.428 1.00 0.00 H new ATOM 454 N LYS A 33 1.861 9.594 6.826 1.00 0.00 N ATOM 455 CA LYS A 33 0.737 10.502 7.022 1.00 0.00 C ATOM 456 C LYS A 33 0.383 11.220 5.724 1.00 0.00 C ATOM 457 O LYS A 33 0.131 12.426 5.719 1.00 0.00 O ATOM 458 CB LYS A 33 1.066 11.526 8.111 1.00 0.00 C ATOM 459 CG LYS A 33 1.263 10.911 9.485 1.00 0.00 C ATOM 460 CD LYS A 33 1.252 11.969 10.577 1.00 0.00 C ATOM 461 CE LYS A 33 -0.167 12.374 10.946 1.00 0.00 C ATOM 462 NZ LYS A 33 -0.186 13.491 11.932 1.00 0.00 N ATOM 0 H LYS A 33 2.770 10.054 6.774 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.124 9.911 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.971 12.064 7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.262 12.260 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.475 10.183 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.209 10.371 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.764 11.587 11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.806 12.846 10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.705 12.674 10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.694 11.515 11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.171 13.738 12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.305 13.196 12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.294 14.320 11.527 1.00 0.00 H new ATOM 476 N ASP A 34 0.367 10.473 4.625 1.00 0.00 N ATOM 477 CA ASP A 34 0.041 11.039 3.321 1.00 0.00 C ATOM 478 C ASP A 34 -1.469 11.105 3.119 1.00 0.00 C ATOM 479 O ASP A 34 -2.209 10.189 3.482 1.00 0.00 O ATOM 480 CB ASP A 34 0.681 10.208 2.208 1.00 0.00 C ATOM 481 CG ASP A 34 0.067 10.487 0.851 1.00 0.00 C ATOM 482 OD1 ASP A 34 -0.946 9.838 0.514 1.00 0.00 O ATOM 483 OD2 ASP A 34 0.598 11.353 0.125 1.00 0.00 O ATOM 0 H ASP A 34 0.576 9.475 4.611 1.00 0.00 H new ATOM 0 HA ASP A 34 0.439 12.053 3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.750 10.419 2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.573 9.149 2.442 1.00 0.00 H new ATOM 488 N PRO A 35 -1.939 12.211 2.527 1.00 0.00 N ATOM 489 CA PRO A 35 -3.366 12.424 2.263 1.00 0.00 C ATOM 490 C PRO A 35 -3.898 11.498 1.175 1.00 0.00 C ATOM 491 O PRO A 35 -4.964 10.899 1.321 1.00 0.00 O ATOM 492 CB PRO A 35 -3.428 13.882 1.802 1.00 0.00 C ATOM 493 CG PRO A 35 -2.074 14.164 1.250 1.00 0.00 C ATOM 494 CD PRO A 35 -1.115 13.342 2.067 1.00 0.00 C ATOM 0 HA PRO A 35 -3.979 12.214 3.140 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.201 14.026 1.047 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.664 14.549 2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.019 13.895 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.837 15.226 1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.267 13.005 1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.711 13.911 2.904 1.00 0.00 H new ATOM 502 N LYS A 36 -3.149 11.383 0.083 1.00 0.00 N ATOM 503 CA LYS A 36 -3.545 10.529 -1.030 1.00 0.00 C ATOM 504 C LYS A 36 -3.919 9.134 -0.539 1.00 0.00 C ATOM 505 O LYS A 36 -4.779 8.471 -1.120 1.00 0.00 O ATOM 506 CB LYS A 36 -2.412 10.434 -2.054 1.00 0.00 C ATOM 507 CG LYS A 36 -2.472 11.503 -3.130 1.00 0.00 C ATOM 508 CD LYS A 36 -1.699 12.747 -2.724 1.00 0.00 C ATOM 509 CE LYS A 36 -0.199 12.544 -2.873 1.00 0.00 C ATOM 510 NZ LYS A 36 0.570 13.722 -2.385 1.00 0.00 N ATOM 0 H LYS A 36 -2.264 11.871 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.419 10.974 -1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.457 10.507 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.443 9.452 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.064 11.108 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.512 11.767 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.016 13.590 -3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.932 13.000 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.105 11.657 -2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.041 12.362 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.588 13.545 -2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.299 14.564 -2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.361 13.880 -1.379 1.00 0.00 H new ATOM 524 N ILE A 37 -3.270 8.696 0.534 1.00 0.00 N ATOM 525 CA ILE A 37 -3.537 7.381 1.104 1.00 0.00 C ATOM 526 C ILE A 37 -5.024 7.198 1.390 1.00 0.00 C ATOM 527 O ILE A 37 -5.544 6.083 1.338 1.00 0.00 O ATOM 528 CB ILE A 37 -2.744 7.160 2.406 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.248 7.044 2.104 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.243 5.916 3.125 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.411 6.708 3.318 1.00 0.00 C ATOM 0 H ILE A 37 -2.556 9.232 1.026 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.218 6.646 0.365 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.898 8.019 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.097 6.276 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.897 7.985 1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.673 5.773 4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.299 6.035 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.115 5.047 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.638 6.642 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.532 7.487 4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.735 5.752 3.730 1.00 0.00 H new ATOM 543 N SER A 38 -5.703 8.300 1.692 1.00 0.00 N ATOM 544 CA SER A 38 -7.131 8.261 1.987 1.00 0.00 C ATOM 545 C SER A 38 -7.888 7.492 0.910 1.00 0.00 C ATOM 546 O SER A 38 -8.782 6.699 1.207 1.00 0.00 O ATOM 547 CB SER A 38 -7.687 9.682 2.105 1.00 0.00 C ATOM 548 OG SER A 38 -7.654 10.346 0.853 1.00 0.00 O ATOM 0 H SER A 38 -5.288 9.230 1.739 1.00 0.00 H new ATOM 0 HA SER A 38 -7.267 7.746 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.712 9.646 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.105 10.245 2.835 1.00 0.00 H new ATOM 0 HG SER A 38 -6.750 10.684 0.686 1.00 0.00 H new ATOM 554 N THR A 39 -7.525 7.732 -0.347 1.00 0.00 N ATOM 555 CA THR A 39 -8.170 7.066 -1.470 1.00 0.00 C ATOM 556 C THR A 39 -7.599 5.668 -1.680 1.00 0.00 C ATOM 557 O THR A 39 -8.124 4.885 -2.473 1.00 0.00 O ATOM 558 CB THR A 39 -8.011 7.874 -2.771 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.621 8.057 -3.068 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.691 9.230 -2.652 1.00 0.00 C ATOM 0 H THR A 39 -6.786 8.384 -0.612 1.00 0.00 H new ATOM 0 HA THR A 39 -9.230 6.991 -1.226 1.00 0.00 H new ATOM 0 HB THR A 39 -8.485 7.316 -3.579 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.105 8.049 -2.235 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.565 9.783 -3.583 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.754 9.088 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.242 9.792 -1.833 1.00 0.00 H new ATOM 568 N SER A 40 -6.520 5.361 -0.967 1.00 0.00 N ATOM 569 CA SER A 40 -5.875 4.057 -1.079 1.00 0.00 C ATOM 570 C SER A 40 -5.282 3.863 -2.471 1.00 0.00 C ATOM 571 O SER A 40 -5.159 2.736 -2.955 1.00 0.00 O ATOM 572 CB SER A 40 -6.878 2.941 -0.779 1.00 0.00 C ATOM 573 OG SER A 40 -7.439 3.095 0.513 1.00 0.00 O ATOM 0 H SER A 40 -6.074 5.997 -0.306 1.00 0.00 H new ATOM 0 HA SER A 40 -5.066 4.015 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.671 2.949 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.382 1.973 -0.851 1.00 0.00 H new ATOM 0 HG SER A 40 -8.078 2.371 0.681 1.00 0.00 H new ATOM 579 N LEU A 41 -4.916 4.968 -3.111 1.00 0.00 N ATOM 580 CA LEU A 41 -4.334 4.920 -4.448 1.00 0.00 C ATOM 581 C LEU A 41 -2.955 4.270 -4.420 1.00 0.00 C ATOM 582 O LEU A 41 -2.667 3.335 -5.166 1.00 0.00 O ATOM 583 CB LEU A 41 -4.234 6.330 -5.032 1.00 0.00 C ATOM 584 CG LEU A 41 -5.507 6.883 -5.674 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.333 8.353 -6.025 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.873 6.077 -6.912 1.00 0.00 C ATOM 0 H LEU A 41 -5.012 5.908 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.986 4.316 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.927 7.010 -4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.442 6.336 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.321 6.796 -4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.249 8.729 -6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.119 8.920 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.506 8.464 -6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.781 6.484 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.059 6.132 -7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.041 5.037 -6.633 1.00 0.00 H new ATOM 598 N PRO A 42 -2.081 4.775 -3.536 1.00 0.00 N ATOM 599 CA PRO A 42 -0.717 4.257 -3.388 1.00 0.00 C ATOM 600 C PRO A 42 -0.691 2.865 -2.766 1.00 0.00 C ATOM 601 O PRO A 42 0.247 2.096 -2.980 1.00 0.00 O ATOM 602 CB PRO A 42 -0.051 5.272 -2.455 1.00 0.00 C ATOM 603 CG PRO A 42 -1.177 5.871 -1.682 1.00 0.00 C ATOM 604 CD PRO A 42 -2.355 5.891 -2.615 1.00 0.00 C ATOM 0 HA PRO A 42 -0.215 4.149 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.670 4.790 -1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.491 6.032 -3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.395 5.283 -0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.928 6.878 -1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.294 5.749 -2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.431 6.840 -3.145 1.00 0.00 H new ATOM 612 N VAL A 43 -1.726 2.546 -1.995 1.00 0.00 N ATOM 613 CA VAL A 43 -1.822 1.246 -1.343 1.00 0.00 C ATOM 614 C VAL A 43 -2.348 0.187 -2.305 1.00 0.00 C ATOM 615 O VAL A 43 -1.944 -0.975 -2.247 1.00 0.00 O ATOM 616 CB VAL A 43 -2.741 1.304 -0.108 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.681 -0.006 0.664 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.363 2.477 0.783 1.00 0.00 C ATOM 0 H VAL A 43 -2.510 3.171 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.815 0.976 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.767 1.451 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.336 0.053 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.006 -0.823 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.658 -0.188 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.023 2.502 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.331 2.364 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.464 3.407 0.223 1.00 0.00 H new ATOM 628 N LEU A 44 -3.251 0.595 -3.190 1.00 0.00 N ATOM 629 CA LEU A 44 -3.832 -0.320 -4.168 1.00 0.00 C ATOM 630 C LEU A 44 -2.912 -0.486 -5.373 1.00 0.00 C ATOM 631 O LEU A 44 -2.680 -1.601 -5.840 1.00 0.00 O ATOM 632 CB LEU A 44 -5.200 0.193 -4.622 1.00 0.00 C ATOM 633 CG LEU A 44 -6.307 0.177 -3.567 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.397 1.177 -3.923 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.888 -1.221 -3.424 1.00 0.00 C ATOM 0 H LEU A 44 -3.597 1.553 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.954 -1.293 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.082 1.216 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.527 -0.406 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.875 0.467 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.176 1.152 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.970 2.179 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.827 0.918 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.674 -1.213 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.305 -1.541 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.102 -1.913 -3.122 1.00 0.00 H new ATOM 647 N ASP A 45 -2.389 0.630 -5.870 1.00 0.00 N ATOM 648 CA ASP A 45 -1.492 0.608 -7.019 1.00 0.00 C ATOM 649 C ASP A 45 -0.197 -0.125 -6.682 1.00 0.00 C ATOM 650 O ASP A 45 0.348 -0.855 -7.510 1.00 0.00 O ATOM 651 CB ASP A 45 -1.182 2.033 -7.478 1.00 0.00 C ATOM 652 CG ASP A 45 -2.387 2.721 -8.087 1.00 0.00 C ATOM 653 OD1 ASP A 45 -3.513 2.482 -7.604 1.00 0.00 O ATOM 654 OD2 ASP A 45 -2.206 3.498 -9.049 1.00 0.00 O ATOM 0 H ASP A 45 -2.571 1.561 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.990 0.075 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.826 2.616 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.374 2.008 -8.209 1.00 0.00 H new ATOM 659 N LEU A 46 0.291 0.077 -5.463 1.00 0.00 N ATOM 660 CA LEU A 46 1.524 -0.564 -5.017 1.00 0.00 C ATOM 661 C LEU A 46 1.423 -2.080 -5.137 1.00 0.00 C ATOM 662 O LEU A 46 2.388 -2.749 -5.509 1.00 0.00 O ATOM 663 CB LEU A 46 1.829 -0.174 -3.569 1.00 0.00 C ATOM 664 CG LEU A 46 2.820 -1.071 -2.828 1.00 0.00 C ATOM 665 CD1 LEU A 46 4.090 -1.254 -3.645 1.00 0.00 C ATOM 666 CD2 LEU A 46 3.144 -0.490 -1.459 1.00 0.00 C ATOM 0 H LEU A 46 -0.148 0.679 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 46 2.336 -0.221 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.216 0.845 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.892 -0.163 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 46 2.360 -2.049 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.783 -1.895 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.844 -1.715 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.554 -0.283 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.851 -1.141 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.584 0.500 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.229 -0.412 -0.871 1.00 0.00 H new ATOM 678 N ILE A 47 0.249 -2.617 -4.823 1.00 0.00 N ATOM 679 CA ILE A 47 0.021 -4.055 -4.898 1.00 0.00 C ATOM 680 C ILE A 47 0.088 -4.547 -6.340 1.00 0.00 C ATOM 681 O ILE A 47 0.851 -5.458 -6.661 1.00 0.00 O ATOM 682 CB ILE A 47 -1.343 -4.442 -4.298 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.419 -4.015 -2.831 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.575 -5.940 -4.431 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.833 -3.909 -2.305 1.00 0.00 C ATOM 0 H ILE A 47 -0.560 -2.078 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 47 0.811 -4.530 -4.317 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.126 -3.922 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.867 -4.732 -2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.924 -3.051 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.543 -6.198 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.559 -6.219 -5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.789 -6.478 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.810 -3.602 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.384 -3.171 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.326 -4.878 -2.388 1.00 0.00 H new ATOM 697 N ASP A 48 -0.714 -3.936 -7.205 1.00 0.00 N ATOM 698 CA ASP A 48 -0.746 -4.309 -8.614 1.00 0.00 C ATOM 699 C ASP A 48 0.649 -4.236 -9.226 1.00 0.00 C ATOM 700 O ASP A 48 1.061 -5.128 -9.969 1.00 0.00 O ATOM 701 CB ASP A 48 -1.702 -3.398 -9.385 1.00 0.00 C ATOM 702 CG ASP A 48 -1.734 -3.713 -10.867 1.00 0.00 C ATOM 703 OD1 ASP A 48 -0.652 -3.762 -11.487 1.00 0.00 O ATOM 704 OD2 ASP A 48 -2.843 -3.910 -11.408 1.00 0.00 O ATOM 0 H ASP A 48 -1.351 -3.180 -6.955 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.102 -5.337 -8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.706 -3.499 -8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.403 -2.360 -9.244 1.00 0.00 H new ATOM 709 N ALA A 49 1.374 -3.166 -8.911 1.00 0.00 N ATOM 710 CA ALA A 49 2.723 -2.978 -9.429 1.00 0.00 C ATOM 711 C ALA A 49 3.478 -4.301 -9.490 1.00 0.00 C ATOM 712 O ALA A 49 4.029 -4.665 -10.530 1.00 0.00 O ATOM 713 CB ALA A 49 3.481 -1.974 -8.573 1.00 0.00 C ATOM 0 H ALA A 49 1.049 -2.417 -8.300 1.00 0.00 H new ATOM 0 HA ALA A 49 2.645 -2.588 -10.444 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.487 -1.843 -8.971 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.958 -1.018 -8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.541 -2.341 -7.549 1.00 0.00 H new ATOM 719 N ILE A 50 3.501 -5.016 -8.370 1.00 0.00 N ATOM 720 CA ILE A 50 4.189 -6.299 -8.297 1.00 0.00 C ATOM 721 C ILE A 50 3.388 -7.393 -8.994 1.00 0.00 C ATOM 722 O ILE A 50 3.914 -8.121 -9.834 1.00 0.00 O ATOM 723 CB ILE A 50 4.446 -6.717 -6.837 1.00 0.00 C ATOM 724 CG1 ILE A 50 5.120 -5.579 -6.069 1.00 0.00 C ATOM 725 CG2 ILE A 50 5.301 -7.975 -6.790 1.00 0.00 C ATOM 726 CD1 ILE A 50 5.180 -5.811 -4.576 1.00 0.00 C ATOM 0 H ILE A 50 3.051 -4.728 -7.501 1.00 0.00 H new ATOM 0 HA ILE A 50 5.145 -6.174 -8.804 1.00 0.00 H new ATOM 0 HB ILE A 50 3.489 -6.933 -6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.133 -5.445 -6.449 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.581 -4.651 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.474 -8.258 -5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.785 -8.785 -7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.257 -7.784 -7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.671 -4.964 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.169 -5.915 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.744 -6.721 -4.372 1.00 0.00 H new ATOM 738 N GLN A 51 2.110 -7.500 -8.639 1.00 0.00 N ATOM 739 CA GLN A 51 1.236 -8.505 -9.232 1.00 0.00 C ATOM 740 C GLN A 51 0.134 -7.849 -10.057 1.00 0.00 C ATOM 741 O GLN A 51 -0.898 -7.425 -9.535 1.00 0.00 O ATOM 742 CB GLN A 51 0.619 -9.382 -8.141 1.00 0.00 C ATOM 743 CG GLN A 51 0.033 -10.683 -8.666 1.00 0.00 C ATOM 744 CD GLN A 51 1.095 -11.718 -8.977 1.00 0.00 C ATOM 745 OE1 GLN A 51 2.269 -11.538 -8.651 1.00 0.00 O ATOM 746 NE2 GLN A 51 0.690 -12.812 -9.612 1.00 0.00 N ATOM 0 H GLN A 51 1.659 -6.904 -7.945 1.00 0.00 H new ATOM 0 HA GLN A 51 1.837 -9.129 -9.893 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.381 -9.611 -7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.164 -8.819 -7.633 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.659 -11.089 -7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.545 -10.479 -9.567 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.292 -12.921 -9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.361 -13.543 -9.848 1.00 0.00 H new ATOM 755 N PRO A 52 0.354 -7.762 -11.377 1.00 0.00 N ATOM 756 CA PRO A 52 -0.610 -7.159 -12.303 1.00 0.00 C ATOM 757 C PRO A 52 -1.864 -8.008 -12.469 1.00 0.00 C ATOM 758 O PRO A 52 -1.783 -9.204 -12.748 1.00 0.00 O ATOM 759 CB PRO A 52 0.165 -7.083 -13.621 1.00 0.00 C ATOM 760 CG PRO A 52 1.187 -8.162 -13.522 1.00 0.00 C ATOM 761 CD PRO A 52 1.561 -8.246 -12.068 1.00 0.00 C ATOM 0 HA PRO A 52 -0.968 -6.193 -11.947 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.493 -7.238 -14.476 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.632 -6.106 -13.750 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.787 -9.112 -13.878 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.058 -7.932 -14.136 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.810 -9.266 -11.775 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.430 -7.628 -11.840 1.00 0.00 H new ATOM 769 N GLY A 53 -3.024 -7.383 -12.296 1.00 0.00 N ATOM 770 CA GLY A 53 -4.280 -8.099 -12.433 1.00 0.00 C ATOM 771 C GLY A 53 -5.124 -8.033 -11.175 1.00 0.00 C ATOM 772 O GLY A 53 -6.329 -7.792 -11.239 1.00 0.00 O ATOM 0 H GLY A 53 -3.117 -6.394 -12.064 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.844 -7.682 -13.268 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.076 -9.142 -12.676 1.00 0.00 H new ATOM 776 N SER A 54 -4.490 -8.250 -10.027 1.00 0.00 N ATOM 777 CA SER A 54 -5.191 -8.219 -8.749 1.00 0.00 C ATOM 778 C SER A 54 -6.068 -6.976 -8.641 1.00 0.00 C ATOM 779 O SER A 54 -7.197 -7.040 -8.150 1.00 0.00 O ATOM 780 CB SER A 54 -4.190 -8.253 -7.592 1.00 0.00 C ATOM 781 OG SER A 54 -3.060 -7.445 -7.873 1.00 0.00 O ATOM 0 H SER A 54 -3.492 -8.449 -9.956 1.00 0.00 H new ATOM 0 HA SER A 54 -5.830 -9.100 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.672 -7.904 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.871 -9.280 -7.412 1.00 0.00 H new ATOM 0 HG SER A 54 -2.458 -7.924 -8.480 1.00 0.00 H new ATOM 787 N ILE A 55 -5.544 -5.846 -9.102 1.00 0.00 N ATOM 788 CA ILE A 55 -6.279 -4.588 -9.058 1.00 0.00 C ATOM 789 C ILE A 55 -6.981 -4.316 -10.383 1.00 0.00 C ATOM 790 O ILE A 55 -6.407 -4.512 -11.454 1.00 0.00 O ATOM 791 CB ILE A 55 -5.349 -3.405 -8.730 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.618 -3.653 -7.408 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.144 -2.109 -8.666 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.521 -3.589 -6.197 1.00 0.00 C ATOM 0 H ILE A 55 -4.612 -5.776 -9.511 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.024 -4.684 -8.268 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.606 -3.315 -9.523 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.141 -4.632 -7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.823 -2.915 -7.298 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.473 -1.282 -8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.623 -1.928 -9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.906 -2.187 -7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.936 -3.774 -5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.978 -2.601 -6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.301 -4.345 -6.284 1.00 0.00 H new ATOM 806 N ASN A 56 -8.228 -3.861 -10.304 1.00 0.00 N ATOM 807 CA ASN A 56 -9.010 -3.559 -11.498 1.00 0.00 C ATOM 808 C ASN A 56 -9.642 -2.174 -11.399 1.00 0.00 C ATOM 809 O ASN A 56 -10.779 -2.030 -10.951 1.00 0.00 O ATOM 810 CB ASN A 56 -10.097 -4.616 -11.700 1.00 0.00 C ATOM 811 CG ASN A 56 -10.457 -4.801 -13.162 1.00 0.00 C ATOM 812 OD1 ASN A 56 -9.874 -5.635 -13.854 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.423 -4.024 -13.636 1.00 0.00 N ATOM 0 H ASN A 56 -8.718 -3.693 -9.426 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.338 -3.570 -12.356 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.757 -5.567 -11.289 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.988 -4.328 -11.142 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.710 -4.105 -14.611 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.878 -3.346 -13.025 1.00 0.00 H new ATOM 820 N TYR A 57 -8.897 -1.159 -11.819 1.00 0.00 N ATOM 821 CA TYR A 57 -9.383 0.215 -11.776 1.00 0.00 C ATOM 822 C TYR A 57 -10.841 0.291 -12.216 1.00 0.00 C ATOM 823 O TYR A 57 -11.648 0.999 -11.613 1.00 0.00 O ATOM 824 CB TYR A 57 -8.523 1.111 -12.670 1.00 0.00 C ATOM 825 CG TYR A 57 -7.076 1.186 -12.239 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.737 1.475 -10.922 1.00 0.00 C ATOM 827 CD2 TYR A 57 -6.047 0.968 -13.146 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.416 1.545 -10.524 1.00 0.00 C ATOM 829 CE2 TYR A 57 -4.724 1.035 -12.757 1.00 0.00 C ATOM 830 CZ TYR A 57 -4.413 1.324 -11.444 1.00 0.00 C ATOM 831 OH TYR A 57 -3.096 1.392 -11.051 1.00 0.00 O ATOM 0 H TYR A 57 -7.954 -1.261 -12.193 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.314 0.565 -10.746 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.570 0.740 -13.694 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.944 2.116 -12.675 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.520 1.648 -10.198 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.286 0.742 -14.175 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.170 1.772 -9.497 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.937 0.862 -13.476 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.012 1.068 -10.130 1.00 0.00 H new ATOM 841 N ASP A 58 -11.174 -0.446 -13.271 1.00 0.00 N ATOM 842 CA ASP A 58 -12.536 -0.465 -13.792 1.00 0.00 C ATOM 843 C ASP A 58 -13.549 -0.589 -12.659 1.00 0.00 C ATOM 844 O ASP A 58 -14.570 0.100 -12.646 1.00 0.00 O ATOM 845 CB ASP A 58 -12.711 -1.622 -14.777 1.00 0.00 C ATOM 846 CG ASP A 58 -13.739 -1.317 -15.849 1.00 0.00 C ATOM 847 OD1 ASP A 58 -14.887 -0.978 -15.492 1.00 0.00 O ATOM 848 OD2 ASP A 58 -13.395 -1.418 -17.046 1.00 0.00 O ATOM 0 H ASP A 58 -10.519 -1.038 -13.782 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.713 0.476 -14.313 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.753 -1.843 -15.248 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.012 -2.517 -14.233 1.00 0.00 H new ATOM 853 N LEU A 59 -13.261 -1.472 -11.709 1.00 0.00 N ATOM 854 CA LEU A 59 -14.148 -1.687 -10.570 1.00 0.00 C ATOM 855 C LEU A 59 -13.902 -0.645 -9.484 1.00 0.00 C ATOM 856 O LEU A 59 -14.829 -0.227 -8.787 1.00 0.00 O ATOM 857 CB LEU A 59 -13.948 -3.093 -10.001 1.00 0.00 C ATOM 858 CG LEU A 59 -13.880 -4.227 -11.023 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.533 -5.541 -10.340 1.00 0.00 C ATOM 860 CD2 LEU A 59 -15.198 -4.347 -11.774 1.00 0.00 C ATOM 0 H LEU A 59 -12.421 -2.050 -11.704 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.176 -1.586 -10.917 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.027 -3.100 -9.419 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.764 -3.303 -9.309 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.094 -3.996 -11.742 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.489 -6.337 -11.083 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.565 -5.451 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.296 -5.778 -9.599 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.132 -5.159 -12.498 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.002 -4.555 -11.068 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.406 -3.413 -12.295 1.00 0.00 H new ATOM 872 N LEU A 60 -12.648 -0.229 -9.343 1.00 0.00 N ATOM 873 CA LEU A 60 -12.280 0.766 -8.343 1.00 0.00 C ATOM 874 C LEU A 60 -12.969 2.098 -8.619 1.00 0.00 C ATOM 875 O LEU A 60 -13.275 2.425 -9.766 1.00 0.00 O ATOM 876 CB LEU A 60 -10.763 0.958 -8.321 1.00 0.00 C ATOM 877 CG LEU A 60 -9.928 -0.307 -8.114 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.448 -0.002 -8.281 1.00 0.00 C ATOM 879 CD2 LEU A 60 -10.200 -0.906 -6.743 1.00 0.00 C ATOM 0 H LEU A 60 -11.869 -0.566 -9.909 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.609 0.404 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.462 1.418 -9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.518 1.665 -7.528 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.215 -1.037 -8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.869 -0.913 -8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.267 0.381 -9.285 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.145 0.745 -7.547 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.598 -1.805 -6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.941 -0.181 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.256 -1.162 -6.661 1.00 0.00 H new ATOM 891 N LYS A 61 -13.209 2.865 -7.562 1.00 0.00 N ATOM 892 CA LYS A 61 -13.859 4.164 -7.690 1.00 0.00 C ATOM 893 C LYS A 61 -12.878 5.216 -8.196 1.00 0.00 C ATOM 894 O LYS A 61 -12.919 5.609 -9.363 1.00 0.00 O ATOM 895 CB LYS A 61 -14.442 4.602 -6.344 1.00 0.00 C ATOM 896 CG LYS A 61 -15.589 3.729 -5.866 1.00 0.00 C ATOM 897 CD LYS A 61 -16.761 3.770 -6.832 1.00 0.00 C ATOM 898 CE LYS A 61 -17.925 2.929 -6.332 1.00 0.00 C ATOM 899 NZ LYS A 61 -18.925 2.671 -7.406 1.00 0.00 N ATOM 0 H LYS A 61 -12.963 2.610 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.667 4.067 -8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.651 4.591 -5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.790 5.632 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.243 2.701 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -15.916 4.063 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.087 4.801 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -16.442 3.407 -7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.549 1.980 -5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.410 3.438 -5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.703 2.095 -7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.302 3.576 -7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.469 2.162 -8.190 1.00 0.00 H new ATOM 913 N THR A 62 -11.994 5.669 -7.313 1.00 0.00 N ATOM 914 CA THR A 62 -11.002 6.675 -7.671 1.00 0.00 C ATOM 915 C THR A 62 -11.666 7.930 -8.225 1.00 0.00 C ATOM 916 O THR A 62 -11.161 8.548 -9.161 1.00 0.00 O ATOM 917 CB THR A 62 -10.004 6.134 -8.712 1.00 0.00 C ATOM 918 OG1 THR A 62 -10.597 6.154 -10.015 1.00 0.00 O ATOM 919 CG2 THR A 62 -9.575 4.716 -8.366 1.00 0.00 C ATOM 0 H THR A 62 -11.945 5.355 -6.344 1.00 0.00 H new ATOM 0 HA THR A 62 -10.463 6.926 -6.757 1.00 0.00 H new ATOM 0 HB THR A 62 -9.122 6.775 -8.704 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.432 5.641 -10.002 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.870 4.356 -9.116 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.097 4.709 -7.386 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.449 4.066 -8.348 1.00 0.00 H new ATOM 927 N GLU A 63 -12.801 8.301 -7.640 1.00 0.00 N ATOM 928 CA GLU A 63 -13.534 9.483 -8.077 1.00 0.00 C ATOM 929 C GLU A 63 -14.421 10.018 -6.956 1.00 0.00 C ATOM 930 O GLU A 63 -15.400 9.383 -6.567 1.00 0.00 O ATOM 931 CB GLU A 63 -14.387 9.157 -9.305 1.00 0.00 C ATOM 932 CG GLU A 63 -15.227 7.901 -9.147 1.00 0.00 C ATOM 933 CD GLU A 63 -16.455 7.905 -10.036 1.00 0.00 C ATOM 934 OE1 GLU A 63 -16.296 7.769 -11.268 1.00 0.00 O ATOM 935 OE2 GLU A 63 -17.574 8.043 -9.501 1.00 0.00 O ATOM 0 H GLU A 63 -13.232 7.800 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.808 10.252 -8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.045 10.000 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.734 9.041 -10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.617 7.029 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.537 7.804 -8.106 1.00 0.00 H new ATOM 942 N ASN A 64 -14.069 11.191 -6.440 1.00 0.00 N ATOM 943 CA ASN A 64 -14.831 11.812 -5.362 1.00 0.00 C ATOM 944 C ASN A 64 -15.143 10.801 -4.264 1.00 0.00 C ATOM 945 O ASN A 64 -16.287 10.677 -3.824 1.00 0.00 O ATOM 946 CB ASN A 64 -16.131 12.407 -5.907 1.00 0.00 C ATOM 947 CG ASN A 64 -17.019 11.361 -6.554 1.00 0.00 C ATOM 948 OD1 ASN A 64 -17.687 10.588 -5.867 1.00 0.00 O ATOM 949 ND2 ASN A 64 -17.030 11.332 -7.882 1.00 0.00 N ATOM 0 H ASN A 64 -13.261 11.731 -6.751 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.224 12.610 -4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.675 12.890 -5.095 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.895 13.181 -6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -17.608 10.650 -8.372 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.460 11.992 -8.411 1.00 0.00 H new ATOM 956 N LEU A 65 -14.118 10.080 -3.822 1.00 0.00 N ATOM 957 CA LEU A 65 -14.280 9.080 -2.774 1.00 0.00 C ATOM 958 C LEU A 65 -14.717 9.729 -1.464 1.00 0.00 C ATOM 959 O LEU A 65 -14.398 10.887 -1.198 1.00 0.00 O ATOM 960 CB LEU A 65 -12.973 8.314 -2.564 1.00 0.00 C ATOM 961 CG LEU A 65 -12.646 7.246 -3.610 1.00 0.00 C ATOM 962 CD1 LEU A 65 -11.143 7.144 -3.815 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.224 5.901 -3.197 1.00 0.00 C ATOM 0 H LEU A 65 -13.165 10.170 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 65 -15.056 8.383 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.154 9.033 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.008 7.837 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.102 7.538 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.929 6.380 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.756 8.104 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.665 6.875 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.982 5.153 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.798 5.601 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.307 5.984 -3.103 1.00 0.00 H new ATOM 975 N ASN A 66 -15.447 8.975 -0.650 1.00 0.00 N ATOM 976 CA ASN A 66 -15.926 9.476 0.633 1.00 0.00 C ATOM 977 C ASN A 66 -16.014 8.351 1.659 1.00 0.00 C ATOM 978 O ASN A 66 -15.827 7.179 1.328 1.00 0.00 O ATOM 979 CB ASN A 66 -17.297 10.138 0.466 1.00 0.00 C ATOM 980 CG ASN A 66 -18.430 9.131 0.481 1.00 0.00 C ATOM 981 OD1 ASN A 66 -19.016 8.855 1.528 1.00 0.00 O ATOM 982 ND2 ASN A 66 -18.742 8.574 -0.683 1.00 0.00 N ATOM 0 H ASN A 66 -15.720 8.014 -0.856 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.213 10.217 0.994 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -17.448 10.862 1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.318 10.691 -0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.494 7.887 -0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.229 8.833 -1.526 1.00 0.00 H new ATOM 989 N ASP A 67 -16.300 8.714 2.905 1.00 0.00 N ATOM 990 CA ASP A 67 -16.414 7.736 3.979 1.00 0.00 C ATOM 991 C ASP A 67 -17.023 6.435 3.467 1.00 0.00 C ATOM 992 O ASP A 67 -16.714 5.353 3.967 1.00 0.00 O ATOM 993 CB ASP A 67 -17.263 8.296 5.121 1.00 0.00 C ATOM 994 CG ASP A 67 -17.271 7.391 6.336 1.00 0.00 C ATOM 995 OD1 ASP A 67 -16.178 7.091 6.861 1.00 0.00 O ATOM 996 OD2 ASP A 67 -18.371 6.982 6.763 1.00 0.00 O ATOM 0 H ASP A 67 -16.457 9.679 3.195 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.412 7.525 4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -16.882 9.277 5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -18.286 8.440 4.772 1.00 0.00 H new ATOM 1001 N ASP A 68 -17.892 6.548 2.469 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.546 5.380 1.889 1.00 0.00 C ATOM 1003 C ASP A 68 -17.614 4.661 0.919 1.00 0.00 C ATOM 1004 O ASP A 68 -17.189 3.535 1.173 1.00 0.00 O ATOM 1005 CB ASP A 68 -19.831 5.795 1.169 1.00 0.00 C ATOM 1006 CG ASP A 68 -20.858 4.679 1.129 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -21.266 4.210 2.211 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -21.252 4.277 0.014 1.00 0.00 O ATOM 0 H ASP A 68 -18.160 7.436 2.045 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.797 4.694 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.261 6.663 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.591 6.101 0.151 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.302 5.320 -0.192 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.422 4.741 -1.201 1.00 0.00 C ATOM 1015 C GLU A 69 -15.063 4.393 -0.601 1.00 0.00 C ATOM 1016 O GLU A 69 -14.627 3.242 -0.646 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.242 5.712 -2.370 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.546 6.313 -2.868 1.00 0.00 C ATOM 1019 CD GLU A 69 -17.493 6.687 -4.336 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -16.511 7.340 -4.748 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.434 6.326 -5.074 1.00 0.00 O ATOM 0 H GLU A 69 -17.645 6.254 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 69 -16.884 3.824 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.574 6.517 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.754 5.190 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.355 5.600 -2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.781 7.200 -2.279 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.396 5.396 -0.040 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.086 5.199 0.569 1.00 0.00 C ATOM 1030 C LYS A 70 -13.023 3.862 1.302 1.00 0.00 C ATOM 1031 O LYS A 70 -12.092 3.081 1.110 1.00 0.00 O ATOM 1032 CB LYS A 70 -12.775 6.340 1.541 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.517 7.670 0.853 1.00 0.00 C ATOM 1034 CD LYS A 70 -11.849 8.662 1.791 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.307 9.865 1.035 1.00 0.00 C ATOM 1036 NZ LYS A 70 -10.985 10.995 1.950 1.00 0.00 N ATOM 0 H LYS A 70 -14.742 6.355 0.005 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.340 5.194 -0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.609 6.454 2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.902 6.072 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.885 7.512 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.459 8.084 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.566 8.995 2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.036 8.169 2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.411 9.576 0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.041 10.192 0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.273 11.609 1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.847 11.545 2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.610 10.621 2.845 1.00 0.00 H new ATOM 1050 N LEU A 71 -14.021 3.606 2.142 1.00 0.00 N ATOM 1051 CA LEU A 71 -14.079 2.362 2.902 1.00 0.00 C ATOM 1052 C LEU A 71 -13.980 1.153 1.978 1.00 0.00 C ATOM 1053 O LEU A 71 -13.108 0.303 2.144 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.377 2.297 3.710 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.721 0.936 4.318 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.678 0.533 5.349 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -17.108 0.967 4.944 1.00 0.00 C ATOM 0 H LEU A 71 -14.800 4.242 2.314 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.230 2.342 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.317 3.028 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.200 2.602 3.064 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.720 0.193 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.939 -0.438 5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.700 0.470 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.646 1.278 6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.336 -0.009 5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -17.136 1.723 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.847 1.210 4.180 1.00 0.00 H new ATOM 1069 N ASN A 72 -14.881 1.085 1.003 1.00 0.00 N ATOM 1070 CA ASN A 72 -14.894 -0.019 0.051 1.00 0.00 C ATOM 1071 C ASN A 72 -13.506 -0.241 -0.543 1.00 0.00 C ATOM 1072 O ASN A 72 -13.066 -1.378 -0.710 1.00 0.00 O ATOM 1073 CB ASN A 72 -15.901 0.256 -1.068 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.327 0.337 -0.555 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -18.054 -0.657 -0.549 1.00 0.00 O ATOM 1076 ND2 ASN A 72 -17.732 1.525 -0.121 1.00 0.00 N ATOM 0 H ASN A 72 -15.611 1.781 0.852 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.191 -0.922 0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.642 1.191 -1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.831 -0.532 -1.818 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.680 1.641 0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.095 2.321 -0.145 1.00 0.00 H new ATOM 1083 N ASN A 73 -12.822 0.853 -0.862 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.484 0.777 -1.437 1.00 0.00 C ATOM 1085 C ASN A 73 -10.473 0.298 -0.400 1.00 0.00 C ATOM 1086 O ASN A 73 -9.486 -0.356 -0.737 1.00 0.00 O ATOM 1087 CB ASN A 73 -11.064 2.144 -1.982 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.493 2.349 -3.423 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.118 1.476 -4.026 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.158 3.505 -3.981 1.00 0.00 N ATOM 0 H ASN A 73 -13.172 1.802 -0.732 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.506 0.057 -2.255 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.498 2.928 -1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.981 2.243 -1.911 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.419 3.699 -4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.640 4.200 -3.443 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.725 0.629 0.862 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.838 0.229 1.948 1.00 0.00 C ATOM 1099 C ALA A 74 -9.977 -1.259 2.251 1.00 0.00 C ATOM 1100 O ALA A 74 -8.982 -1.961 2.435 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.126 1.053 3.194 1.00 0.00 C ATOM 0 H ALA A 74 -11.536 1.173 1.158 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.811 0.414 1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.457 0.744 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.968 2.109 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.160 0.897 3.503 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.217 -1.734 2.304 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.486 -3.139 2.584 1.00 0.00 C ATOM 1109 C LYS A 75 -10.960 -4.029 1.462 1.00 0.00 C ATOM 1110 O LYS A 75 -10.500 -5.145 1.707 1.00 0.00 O ATOM 1111 CB LYS A 75 -12.989 -3.364 2.766 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.584 -2.593 3.931 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.055 -2.286 3.704 1.00 0.00 C ATOM 1114 CE LYS A 75 -15.904 -3.547 3.770 1.00 0.00 C ATOM 1115 NZ LYS A 75 -15.948 -4.114 5.147 1.00 0.00 N ATOM 0 H LYS A 75 -12.051 -1.166 2.157 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.970 -3.405 3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.504 -3.076 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.173 -4.428 2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.469 -3.172 4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.035 -1.662 4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.399 -1.574 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.183 -1.810 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.917 -3.321 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.502 -4.292 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.721 -4.807 5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.044 -4.583 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.110 -3.349 5.833 1.00 0.00 H new ATOM 1129 N TYR A 76 -11.028 -3.527 0.235 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.558 -4.277 -0.924 1.00 0.00 C ATOM 1131 C TYR A 76 -9.038 -4.409 -0.909 1.00 0.00 C ATOM 1132 O TYR A 76 -8.495 -5.490 -1.129 1.00 0.00 O ATOM 1133 CB TYR A 76 -11.010 -3.596 -2.216 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.788 -4.436 -3.454 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -11.317 -5.717 -3.552 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -10.048 -3.950 -4.524 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -11.116 -6.489 -4.680 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -9.843 -4.714 -5.657 1.00 0.00 C ATOM 1139 CZ TYR A 76 -10.379 -5.983 -5.730 1.00 0.00 C ATOM 1140 OH TYR A 76 -10.177 -6.747 -6.856 1.00 0.00 O ATOM 0 H TYR A 76 -11.404 -2.604 0.017 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.991 -5.276 -0.878 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.070 -3.353 -2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.474 -2.653 -2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.895 -6.116 -2.732 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.625 -2.958 -4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.534 -7.483 -4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.266 -4.320 -6.481 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.229 -6.721 -7.103 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.358 -3.298 -0.646 1.00 0.00 N ATOM 1151 CA ALA A 77 -6.901 -3.287 -0.600 1.00 0.00 C ATOM 1152 C ALA A 77 -6.373 -4.387 0.315 1.00 0.00 C ATOM 1153 O ALA A 77 -5.643 -5.275 -0.124 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.398 -1.927 -0.139 1.00 0.00 C ATOM 0 H ALA A 77 -8.793 -2.394 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.528 -3.478 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.308 -1.933 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.738 -1.159 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.787 -1.714 0.857 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.746 -4.320 1.589 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.310 -5.311 2.564 1.00 0.00 C ATOM 1162 C ILE A 78 -6.490 -6.728 2.028 1.00 0.00 C ATOM 1163 O ILE A 78 -5.642 -7.595 2.239 1.00 0.00 O ATOM 1164 CB ILE A 78 -7.083 -5.174 3.890 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.866 -3.784 4.490 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.648 -6.254 4.870 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.603 -3.567 5.793 1.00 0.00 C ATOM 0 H ILE A 78 -7.349 -3.590 1.969 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.252 -5.127 2.748 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.147 -5.300 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.800 -3.631 4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.188 -3.032 3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.203 -6.144 5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.849 -7.236 4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.581 -6.156 5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.403 -2.561 6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.674 -3.688 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.264 -4.296 6.529 1.00 0.00 H new ATOM 1179 N SER A 79 -7.599 -6.954 1.331 1.00 0.00 N ATOM 1180 CA SER A 79 -7.891 -8.266 0.766 1.00 0.00 C ATOM 1181 C SER A 79 -6.829 -8.667 -0.254 1.00 0.00 C ATOM 1182 O SER A 79 -6.142 -9.674 -0.086 1.00 0.00 O ATOM 1183 CB SER A 79 -9.272 -8.264 0.106 1.00 0.00 C ATOM 1184 OG SER A 79 -9.575 -9.533 -0.447 1.00 0.00 O ATOM 0 H SER A 79 -8.309 -6.246 1.144 1.00 0.00 H new ATOM 0 HA SER A 79 -7.884 -8.994 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.030 -7.994 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.303 -7.506 -0.677 1.00 0.00 H new ATOM 0 HG SER A 79 -10.463 -9.506 -0.861 1.00 0.00 H new ATOM 1190 N MET A 80 -6.702 -7.871 -1.311 1.00 0.00 N ATOM 1191 CA MET A 80 -5.724 -8.142 -2.357 1.00 0.00 C ATOM 1192 C MET A 80 -4.372 -8.512 -1.755 1.00 0.00 C ATOM 1193 O MET A 80 -3.761 -9.509 -2.141 1.00 0.00 O ATOM 1194 CB MET A 80 -5.571 -6.925 -3.271 1.00 0.00 C ATOM 1195 CG MET A 80 -6.582 -6.886 -4.406 1.00 0.00 C ATOM 1196 SD MET A 80 -8.280 -7.081 -3.831 1.00 0.00 S ATOM 1197 CE MET A 80 -8.779 -8.543 -4.737 1.00 0.00 C ATOM 0 H MET A 80 -7.264 -7.034 -1.465 1.00 0.00 H new ATOM 0 HA MET A 80 -6.084 -8.986 -2.945 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.671 -6.018 -2.675 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.565 -6.921 -3.691 1.00 0.00 H new ATOM 0 HG2 MET A 80 -6.489 -5.939 -4.938 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.351 -7.676 -5.120 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.840 -8.730 -4.570 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.600 -8.390 -5.801 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.201 -9.400 -4.391 1.00 0.00 H new ATOM 1207 N ALA A 81 -3.910 -7.702 -0.807 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.631 -7.946 -0.152 1.00 0.00 C ATOM 1209 C ALA A 81 -2.622 -9.303 0.545 1.00 0.00 C ATOM 1210 O ALA A 81 -1.895 -10.212 0.144 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.330 -6.837 0.845 1.00 0.00 C ATOM 0 H ALA A 81 -4.402 -6.872 -0.476 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.854 -7.954 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.372 -7.031 1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.286 -5.881 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.116 -6.803 1.600 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.432 -9.432 1.591 1.00 0.00 N ATOM 1218 CA ARG A 82 -3.515 -10.677 2.345 1.00 0.00 C ATOM 1219 C ARG A 82 -3.931 -11.833 1.440 1.00 0.00 C ATOM 1220 O ARG A 82 -3.858 -12.998 1.830 1.00 0.00 O ATOM 1221 CB ARG A 82 -4.509 -10.534 3.498 1.00 0.00 C ATOM 1222 CG ARG A 82 -5.963 -10.550 3.055 1.00 0.00 C ATOM 1223 CD ARG A 82 -6.525 -11.962 3.037 1.00 0.00 C ATOM 1224 NE ARG A 82 -7.966 -11.975 2.803 1.00 0.00 N ATOM 1225 CZ ARG A 82 -8.756 -12.992 3.131 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -8.244 -14.074 3.705 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -10.058 -12.929 2.887 1.00 0.00 N ATOM 0 H ARG A 82 -4.040 -8.689 1.936 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.527 -10.894 2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.346 -11.344 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.309 -9.601 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.556 -9.930 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.046 -10.112 2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.026 -12.541 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.308 -12.451 3.987 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.390 -11.158 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.243 -14.125 3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.851 -14.854 3.956 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.455 -12.099 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.663 -13.711 3.140 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.367 -11.503 0.230 1.00 0.00 N ATOM 1242 CA LYS A 83 -4.794 -12.512 -0.732 1.00 0.00 C ATOM 1243 C LYS A 83 -3.609 -13.027 -1.543 1.00 0.00 C ATOM 1244 O LYS A 83 -3.490 -14.227 -1.791 1.00 0.00 O ATOM 1245 CB LYS A 83 -5.856 -11.935 -1.671 1.00 0.00 C ATOM 1246 CG LYS A 83 -6.403 -12.945 -2.664 1.00 0.00 C ATOM 1247 CD LYS A 83 -5.565 -12.992 -3.931 1.00 0.00 C ATOM 1248 CE LYS A 83 -6.357 -13.549 -5.104 1.00 0.00 C ATOM 1249 NZ LYS A 83 -5.837 -13.055 -6.409 1.00 0.00 N ATOM 0 H LYS A 83 -4.434 -10.543 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.223 -13.347 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.680 -11.541 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.428 -11.095 -2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.425 -13.933 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.432 -12.688 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.212 -11.989 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.682 -13.608 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.316 -14.638 -5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.405 -13.268 -5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.403 -13.457 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.900 -12.017 -6.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.844 -13.345 -6.519 1.00 0.00 H new ATOM 1263 N ILE A 84 -2.735 -12.113 -1.951 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.559 -12.476 -2.731 1.00 0.00 C ATOM 1265 C ILE A 84 -0.450 -13.016 -1.834 1.00 0.00 C ATOM 1266 O ILE A 84 0.454 -13.709 -2.297 1.00 0.00 O ATOM 1267 CB ILE A 84 -1.020 -11.274 -3.529 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -0.573 -10.162 -2.577 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -2.078 -10.760 -4.493 1.00 0.00 C ATOM 1270 CD1 ILE A 84 0.273 -9.099 -3.244 1.00 0.00 C ATOM 0 H ILE A 84 -2.819 -11.116 -1.754 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.870 -13.254 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.156 -11.600 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.454 -9.692 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.007 -10.603 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.681 -9.911 -5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.353 -11.553 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.959 -10.447 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.553 -8.344 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.173 -9.556 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.297 -8.631 -4.047 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.528 -12.695 -0.547 1.00 0.00 N ATOM 1283 CA GLY A 85 0.474 -13.158 0.396 1.00 0.00 C ATOM 1284 C GLY A 85 1.083 -12.025 1.197 1.00 0.00 C ATOM 1285 O GLY A 85 2.156 -11.524 0.860 1.00 0.00 O ATOM 0 H GLY A 85 -1.267 -12.122 -0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.022 -13.879 1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.263 -13.682 -0.144 1.00 0.00 H new ATOM 1289 N ALA A 86 0.397 -11.618 2.260 1.00 0.00 N ATOM 1290 CA ALA A 86 0.877 -10.538 3.111 1.00 0.00 C ATOM 1291 C ALA A 86 0.045 -10.430 4.385 1.00 0.00 C ATOM 1292 O ALA A 86 -1.145 -10.112 4.335 1.00 0.00 O ATOM 1293 CB ALA A 86 0.858 -9.219 2.353 1.00 0.00 C ATOM 0 H ALA A 86 -0.493 -12.021 2.552 1.00 0.00 H new ATOM 0 HA ALA A 86 1.904 -10.765 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.219 -8.421 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.502 -9.294 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.161 -8.996 2.037 1.00 0.00 H new ATOM 1299 N ARG A 87 0.675 -10.696 5.523 1.00 0.00 N ATOM 1300 CA ARG A 87 -0.008 -10.631 6.809 1.00 0.00 C ATOM 1301 C ARG A 87 -0.472 -9.208 7.108 1.00 0.00 C ATOM 1302 O ARG A 87 0.283 -8.397 7.644 1.00 0.00 O ATOM 1303 CB ARG A 87 0.913 -11.123 7.926 1.00 0.00 C ATOM 1304 CG ARG A 87 0.342 -10.921 9.320 1.00 0.00 C ATOM 1305 CD ARG A 87 -0.890 -11.783 9.548 1.00 0.00 C ATOM 1306 NE ARG A 87 -1.139 -12.017 10.968 1.00 0.00 N ATOM 1307 CZ ARG A 87 -0.481 -12.917 11.691 1.00 0.00 C ATOM 1308 NH1 ARG A 87 0.460 -13.663 11.129 1.00 0.00 N ATOM 1309 NH2 ARG A 87 -0.764 -13.073 12.977 1.00 0.00 N ATOM 0 H ARG A 87 1.659 -10.959 5.581 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.884 -11.278 6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.117 -12.183 7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.867 -10.601 7.854 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.101 -11.165 10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.084 -9.871 9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.759 -11.298 9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.763 -12.739 9.040 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.857 -11.459 11.430 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.680 -13.547 10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.964 -14.353 11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.488 -12.502 13.413 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.258 -13.764 13.530 1.00 0.00 H new ATOM 1323 N VAL A 88 -1.718 -8.911 6.755 1.00 0.00 N ATOM 1324 CA VAL A 88 -2.282 -7.586 6.984 1.00 0.00 C ATOM 1325 C VAL A 88 -3.230 -7.592 8.178 1.00 0.00 C ATOM 1326 O VAL A 88 -4.433 -7.814 8.029 1.00 0.00 O ATOM 1327 CB VAL A 88 -3.040 -7.076 5.744 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -3.588 -5.678 5.989 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -2.135 -7.095 4.522 1.00 0.00 C ATOM 0 H VAL A 88 -2.356 -9.570 6.309 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.446 -6.917 7.190 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.882 -7.742 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.120 -5.335 5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.272 -5.699 6.837 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.765 -4.997 6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.687 -6.732 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.272 -6.453 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.797 -8.114 4.336 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.682 -7.347 9.363 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.479 -7.326 10.584 1.00 0.00 C ATOM 1341 C TYR A 89 -3.959 -5.912 10.897 1.00 0.00 C ATOM 1342 O TYR A 89 -3.782 -5.417 12.009 1.00 0.00 O ATOM 1343 CB TYR A 89 -2.665 -7.873 11.759 1.00 0.00 C ATOM 1344 CG TYR A 89 -3.506 -8.550 12.815 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -4.282 -9.661 12.507 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -3.524 -8.082 14.123 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -5.054 -10.283 13.469 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -4.291 -8.698 15.093 1.00 0.00 C ATOM 1349 CZ TYR A 89 -5.054 -9.798 14.761 1.00 0.00 C ATOM 1350 OH TYR A 89 -5.820 -10.416 15.723 1.00 0.00 O ATOM 0 H TYR A 89 -1.689 -7.160 9.504 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.352 -7.960 10.429 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.930 -8.584 11.381 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.110 -7.055 12.218 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.281 -10.045 11.498 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.928 -7.221 14.386 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.654 -11.143 13.212 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.293 -8.321 16.105 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.707 -9.952 16.579 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.569 -5.269 9.907 1.00 0.00 N ATOM 1361 CA ALA A 90 -5.078 -3.914 10.076 1.00 0.00 C ATOM 1362 C ALA A 90 -6.547 -3.825 9.675 1.00 0.00 C ATOM 1363 O ALA A 90 -7.090 -4.743 9.059 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.247 -2.933 9.263 1.00 0.00 C ATOM 0 H ALA A 90 -4.723 -5.665 8.980 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.000 -3.652 11.131 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.638 -1.925 9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.211 -2.968 9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.296 -3.202 8.208 1.00 0.00 H new ATOM 1370 N LEU A 91 -7.186 -2.715 10.030 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.594 -2.507 9.707 1.00 0.00 C ATOM 1372 C LEU A 91 -8.753 -1.431 8.639 1.00 0.00 C ATOM 1373 O LEU A 91 -8.134 -0.368 8.695 1.00 0.00 O ATOM 1374 CB LEU A 91 -9.372 -2.114 10.964 1.00 0.00 C ATOM 1375 CG LEU A 91 -10.877 -2.380 10.931 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -11.157 -3.873 11.009 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -11.573 -1.645 12.068 1.00 0.00 C ATOM 0 H LEU A 91 -6.752 -1.946 10.541 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.995 -3.442 9.317 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.947 -2.650 11.813 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.215 -1.051 11.147 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.272 -2.006 9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.233 -4.043 10.984 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.691 -4.375 10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.748 -4.272 11.937 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.644 -1.846 12.029 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.174 -1.989 13.022 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.401 -0.573 11.968 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.606 -1.708 7.641 1.00 0.00 N ATOM 1390 CA PRO A 92 -9.870 -0.775 6.542 1.00 0.00 C ATOM 1391 C PRO A 92 -10.651 0.453 6.999 1.00 0.00 C ATOM 1392 O PRO A 92 -10.654 1.482 6.326 1.00 0.00 O ATOM 1393 CB PRO A 92 -10.704 -1.606 5.564 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.355 -2.645 6.409 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.379 -2.955 7.510 1.00 0.00 C ATOM 0 HA PRO A 92 -8.949 -0.382 6.111 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.444 -0.991 5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.078 -2.057 4.794 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.299 -2.282 6.815 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.581 -3.537 5.825 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.889 -3.211 8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.739 -3.800 7.254 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.311 0.335 8.147 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.096 1.436 8.692 1.00 0.00 C ATOM 1405 C GLU A 93 -11.192 2.589 9.120 1.00 0.00 C ATOM 1406 O GLU A 93 -11.577 3.755 9.044 1.00 0.00 O ATOM 1407 CB GLU A 93 -12.929 0.958 9.882 1.00 0.00 C ATOM 1408 CG GLU A 93 -14.234 0.291 9.483 1.00 0.00 C ATOM 1409 CD GLU A 93 -15.181 1.240 8.773 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -15.047 2.466 8.967 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -16.055 0.755 8.024 1.00 0.00 O ATOM 0 H GLU A 93 -11.318 -0.511 8.717 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.766 1.793 7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.337 0.257 10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.148 1.809 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.020 -0.557 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.722 -0.105 10.373 1.00 0.00 H new ATOM 1418 N ASP A 94 -9.989 2.252 9.570 1.00 0.00 N ATOM 1419 CA ASP A 94 -9.028 3.258 10.011 1.00 0.00 C ATOM 1420 C ASP A 94 -8.203 3.773 8.836 1.00 0.00 C ATOM 1421 O ASP A 94 -7.785 4.932 8.817 1.00 0.00 O ATOM 1422 CB ASP A 94 -8.104 2.677 11.083 1.00 0.00 C ATOM 1423 CG ASP A 94 -8.871 2.081 12.247 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -9.297 2.851 13.134 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -9.047 0.846 12.271 1.00 0.00 O ATOM 0 H ASP A 94 -9.655 1.291 9.639 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.584 4.094 10.436 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.472 1.909 10.637 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.442 3.460 11.451 1.00 0.00 H new ATOM 1430 N LEU A 95 -7.972 2.906 7.856 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.196 3.272 6.677 1.00 0.00 C ATOM 1432 C LEU A 95 -7.836 4.449 5.948 1.00 0.00 C ATOM 1433 O LEU A 95 -7.142 5.306 5.403 1.00 0.00 O ATOM 1434 CB LEU A 95 -7.074 2.077 5.731 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.537 2.380 4.331 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.159 3.018 4.414 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.491 1.112 3.492 1.00 0.00 C ATOM 0 H LEU A 95 -8.311 1.944 7.855 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.200 3.570 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.423 1.337 6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.057 1.618 5.630 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.212 3.086 3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.793 3.226 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.222 3.949 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.472 2.337 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.107 1.346 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.838 0.382 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.495 0.698 3.404 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.165 4.484 5.945 1.00 0.00 N ATOM 1450 CA VAL A 96 -9.899 5.558 5.286 1.00 0.00 C ATOM 1451 C VAL A 96 -9.472 6.922 5.816 1.00 0.00 C ATOM 1452 O VAL A 96 -9.275 7.863 5.048 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.419 5.397 5.477 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -12.160 6.580 4.873 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -11.898 4.089 4.867 1.00 0.00 C ATOM 0 H VAL A 96 -9.755 3.782 6.391 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.665 5.496 4.223 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.633 5.371 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.233 6.450 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.837 7.499 5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.942 6.640 3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.974 3.993 5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.673 4.081 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.391 3.254 5.351 1.00 0.00 H new ATOM 1465 N GLU A 97 -9.330 7.020 7.134 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.926 8.270 7.767 1.00 0.00 C ATOM 1467 C GLU A 97 -7.407 8.347 7.900 1.00 0.00 C ATOM 1468 O GLU A 97 -6.885 8.853 8.893 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.577 8.405 9.145 1.00 0.00 C ATOM 1470 CG GLU A 97 -11.073 8.666 9.089 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.586 9.384 10.323 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -11.369 8.871 11.440 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -12.205 10.457 10.170 1.00 0.00 O ATOM 0 H GLU A 97 -9.489 6.250 7.784 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.260 9.092 7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.397 7.493 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.095 9.219 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.301 9.262 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.600 7.718 8.979 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.705 7.841 6.892 1.00 0.00 N ATOM 1481 CA VAL A 98 -5.247 7.852 6.895 1.00 0.00 C ATOM 1482 C VAL A 98 -4.699 7.684 8.307 1.00 0.00 C ATOM 1483 O VAL A 98 -3.888 8.486 8.768 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.694 9.158 6.293 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -3.173 9.142 6.288 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -5.236 9.367 4.887 1.00 0.00 C ATOM 0 H VAL A 98 -7.122 7.418 6.063 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.923 7.012 6.281 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.023 9.991 6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.801 10.072 5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.807 9.041 7.310 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.820 8.301 5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.835 10.294 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.938 8.531 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.324 9.426 4.921 1.00 0.00 H new ATOM 1496 N ASN A 99 -5.148 6.637 8.990 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.703 6.363 10.352 1.00 0.00 C ATOM 1498 C ASN A 99 -3.460 5.478 10.350 1.00 0.00 C ATOM 1499 O ASN A 99 -3.505 4.301 9.993 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.820 5.690 11.151 1.00 0.00 C ATOM 1501 CG ASN A 99 -6.893 6.671 11.583 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -6.897 7.829 11.164 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -7.810 6.211 12.425 1.00 0.00 N ATOM 0 H ASN A 99 -5.820 5.963 8.623 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.451 7.313 10.823 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.272 4.904 10.547 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.394 5.210 12.032 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.557 6.825 12.751 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.768 5.244 12.746 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.321 6.057 10.761 1.00 0.00 N ATOM 1511 CA PRO A 100 -1.044 5.339 10.818 1.00 0.00 C ATOM 1512 C PRO A 100 -1.020 4.284 11.919 1.00 0.00 C ATOM 1513 O PRO A 100 -0.044 3.549 12.067 1.00 0.00 O ATOM 1514 CB PRO A 100 -0.028 6.445 11.114 1.00 0.00 C ATOM 1515 CG PRO A 100 -0.815 7.507 11.802 1.00 0.00 C ATOM 1516 CD PRO A 100 -2.193 7.456 11.202 1.00 0.00 C ATOM 0 HA PRO A 100 -0.843 4.792 9.897 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.782 6.080 11.746 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.427 6.820 10.197 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.851 7.331 12.877 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.361 8.487 11.654 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.959 7.719 11.931 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.294 8.151 10.369 1.00 0.00 H new ATOM 1524 N LYS A 101 -2.102 4.214 12.688 1.00 0.00 N ATOM 1525 CA LYS A 101 -2.206 3.248 13.775 1.00 0.00 C ATOM 1526 C LYS A 101 -2.432 1.840 13.232 1.00 0.00 C ATOM 1527 O LYS A 101 -1.925 0.864 13.783 1.00 0.00 O ATOM 1528 CB LYS A 101 -3.350 3.631 14.716 1.00 0.00 C ATOM 1529 CG LYS A 101 -3.162 4.984 15.381 1.00 0.00 C ATOM 1530 CD LYS A 101 -4.490 5.577 15.824 1.00 0.00 C ATOM 1531 CE LYS A 101 -4.296 6.903 16.543 1.00 0.00 C ATOM 1532 NZ LYS A 101 -5.594 7.514 16.940 1.00 0.00 N ATOM 0 H LYS A 101 -2.919 4.815 12.578 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.267 3.259 14.329 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.284 3.638 14.155 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.447 2.867 15.487 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.504 4.878 16.243 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.671 5.666 14.687 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.132 5.723 14.955 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.001 4.876 16.484 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.681 6.749 17.430 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.754 7.592 15.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.419 8.416 17.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.171 7.685 16.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.101 6.868 17.579 1.00 0.00 H new ATOM 1546 N MET A 102 -3.193 1.744 12.147 1.00 0.00 N ATOM 1547 CA MET A 102 -3.482 0.455 11.528 1.00 0.00 C ATOM 1548 C MET A 102 -2.633 0.250 10.278 1.00 0.00 C ATOM 1549 O MET A 102 -2.217 -0.870 9.975 1.00 0.00 O ATOM 1550 CB MET A 102 -4.967 0.358 11.172 1.00 0.00 C ATOM 1551 CG MET A 102 -5.892 0.585 12.356 1.00 0.00 C ATOM 1552 SD MET A 102 -5.398 -0.354 13.813 1.00 0.00 S ATOM 1553 CE MET A 102 -5.321 -2.012 13.138 1.00 0.00 C ATOM 0 H MET A 102 -3.621 2.543 11.678 1.00 0.00 H new ATOM 0 HA MET A 102 -3.236 -0.328 12.245 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.195 1.090 10.398 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.167 -0.626 10.749 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.908 1.647 12.601 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.908 0.307 12.077 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.257 -2.734 13.952 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.218 -2.207 12.550 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.442 -2.105 12.501 1.00 0.00 H new ATOM 1563 N VAL A 103 -2.378 1.336 9.555 1.00 0.00 N ATOM 1564 CA VAL A 103 -1.578 1.275 8.339 1.00 0.00 C ATOM 1565 C VAL A 103 -0.176 0.748 8.629 1.00 0.00 C ATOM 1566 O VAL A 103 0.444 0.106 7.782 1.00 0.00 O ATOM 1567 CB VAL A 103 -1.466 2.657 7.670 1.00 0.00 C ATOM 1568 CG1 VAL A 103 -0.457 2.620 6.532 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -2.827 3.119 7.171 1.00 0.00 C ATOM 0 H VAL A 103 -2.715 2.269 9.791 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.087 0.591 7.660 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.114 3.373 8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.392 3.606 6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.521 2.336 6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.776 1.892 5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.729 4.098 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.210 2.403 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.518 3.187 8.011 1.00 0.00 H new ATOM 1579 N MET A 104 0.316 1.024 9.832 1.00 0.00 N ATOM 1580 CA MET A 104 1.644 0.576 10.235 1.00 0.00 C ATOM 1581 C MET A 104 1.957 -0.796 9.645 1.00 0.00 C ATOM 1582 O MET A 104 3.106 -1.093 9.313 1.00 0.00 O ATOM 1583 CB MET A 104 1.747 0.523 11.760 1.00 0.00 C ATOM 1584 CG MET A 104 1.264 -0.789 12.357 1.00 0.00 C ATOM 1585 SD MET A 104 -0.521 -1.000 12.220 1.00 0.00 S ATOM 1586 CE MET A 104 -0.789 -2.363 13.350 1.00 0.00 C ATOM 0 H MET A 104 -0.184 1.555 10.544 1.00 0.00 H new ATOM 0 HA MET A 104 2.373 1.291 9.854 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.785 0.685 12.052 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.165 1.341 12.184 1.00 0.00 H new ATOM 0 HG2 MET A 104 1.763 -1.618 11.855 1.00 0.00 H new ATOM 0 HG3 MET A 104 1.551 -0.833 13.407 1.00 0.00 H new ATOM 0 HE1 MET A 104 -1.339 -3.155 12.841 1.00 0.00 H new ATOM 0 HE2 MET A 104 0.172 -2.749 13.689 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.364 -2.016 14.209 1.00 0.00 H new ATOM 1596 N THR A 105 0.930 -1.629 9.517 1.00 0.00 N ATOM 1597 CA THR A 105 1.096 -2.969 8.969 1.00 0.00 C ATOM 1598 C THR A 105 0.768 -2.999 7.481 1.00 0.00 C ATOM 1599 O THR A 105 1.443 -3.669 6.699 1.00 0.00 O ATOM 1600 CB THR A 105 0.205 -3.990 9.701 1.00 0.00 C ATOM 1601 OG1 THR A 105 -1.088 -3.425 9.947 1.00 0.00 O ATOM 1602 CG2 THR A 105 0.838 -4.415 11.018 1.00 0.00 C ATOM 0 H THR A 105 -0.027 -1.399 9.786 1.00 0.00 H new ATOM 0 HA THR A 105 2.141 -3.242 9.113 1.00 0.00 H new ATOM 0 HB THR A 105 0.101 -4.870 9.066 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.033 -2.795 10.695 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.191 -5.136 11.517 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.809 -4.872 10.825 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.969 -3.542 11.657 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.274 -2.269 7.095 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.691 -2.211 5.700 1.00 0.00 C ATOM 1612 C VAL A 106 0.514 -2.200 4.765 1.00 0.00 C ATOM 1613 O VAL A 106 0.561 -2.944 3.786 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.553 -0.964 5.423 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.621 -0.682 3.930 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.947 -1.140 6.005 1.00 0.00 C ATOM 0 H VAL A 106 -0.844 -1.710 7.729 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.286 -3.105 5.511 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.087 -0.107 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.234 0.202 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.616 -0.509 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.062 -1.537 3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.542 -0.250 5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.424 -2.008 5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.875 -1.288 7.082 1.00 0.00 H new ATOM 1626 N PHE A 107 1.488 -1.350 5.075 1.00 0.00 N ATOM 1627 CA PHE A 107 2.694 -1.241 4.263 1.00 0.00 C ATOM 1628 C PHE A 107 3.725 -2.287 4.677 1.00 0.00 C ATOM 1629 O PHE A 107 4.275 -2.999 3.838 1.00 0.00 O ATOM 1630 CB PHE A 107 3.294 0.160 4.388 1.00 0.00 C ATOM 1631 CG PHE A 107 2.705 1.153 3.426 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.605 0.853 2.077 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.253 2.385 3.870 1.00 0.00 C ATOM 1634 CE1 PHE A 107 2.065 1.764 1.189 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.711 3.300 2.987 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.616 2.989 1.645 1.00 0.00 C ATOM 0 H PHE A 107 1.465 -0.727 5.882 1.00 0.00 H new ATOM 0 HA PHE A 107 2.419 -1.419 3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.146 0.520 5.406 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.370 0.102 4.224 1.00 0.00 H new ATOM 0 HD1 PHE A 107 2.953 -0.103 1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.325 2.633 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.994 1.519 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.362 4.257 3.346 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.192 3.702 0.953 1.00 0.00 H new ATOM 1646 N ALA A 108 3.981 -2.372 5.978 1.00 0.00 N ATOM 1647 CA ALA A 108 4.944 -3.331 6.506 1.00 0.00 C ATOM 1648 C ALA A 108 4.834 -4.672 5.788 1.00 0.00 C ATOM 1649 O ALA A 108 5.814 -5.173 5.236 1.00 0.00 O ATOM 1650 CB ALA A 108 4.743 -3.514 8.003 1.00 0.00 C ATOM 0 H ALA A 108 3.535 -1.789 6.686 1.00 0.00 H new ATOM 0 HA ALA A 108 5.945 -2.935 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.469 -4.233 8.382 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.881 -2.558 8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.735 -3.883 8.192 1.00 0.00 H new ATOM 1656 N CYS A 109 3.636 -5.247 5.800 1.00 0.00 N ATOM 1657 CA CYS A 109 3.398 -6.531 5.151 1.00 0.00 C ATOM 1658 C CYS A 109 3.825 -6.487 3.686 1.00 0.00 C ATOM 1659 O CYS A 109 4.258 -7.494 3.125 1.00 0.00 O ATOM 1660 CB CYS A 109 1.921 -6.911 5.253 1.00 0.00 C ATOM 1661 SG CYS A 109 0.784 -5.602 4.742 1.00 0.00 S ATOM 0 H CYS A 109 2.815 -4.844 6.252 1.00 0.00 H new ATOM 0 HA CYS A 109 3.996 -7.286 5.662 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.741 -7.794 4.639 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.699 -7.188 6.283 1.00 0.00 H new ATOM 0 HG CYS A 109 0.714 -4.699 5.675 1.00 0.00 H new ATOM 1667 N LEU A 110 3.697 -5.316 3.074 1.00 0.00 N ATOM 1668 CA LEU A 110 4.067 -5.141 1.673 1.00 0.00 C ATOM 1669 C LEU A 110 5.568 -4.905 1.532 1.00 0.00 C ATOM 1670 O LEU A 110 6.288 -5.743 0.991 1.00 0.00 O ATOM 1671 CB LEU A 110 3.296 -3.968 1.064 1.00 0.00 C ATOM 1672 CG LEU A 110 1.823 -4.227 0.744 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.130 -2.935 0.340 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.692 -5.272 -0.355 1.00 0.00 C ATOM 0 H LEU A 110 3.340 -4.473 3.525 1.00 0.00 H new ATOM 0 HA LEU A 110 3.809 -6.055 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.355 -3.124 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.799 -3.666 0.145 1.00 0.00 H new ATOM 0 HG LEU A 110 1.337 -4.610 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.083 -3.138 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.193 -2.217 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.616 -2.522 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.637 -5.444 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.193 -4.917 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.152 -6.204 -0.027 1.00 0.00 H new