USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 671 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 78 THR OG1 : rot 180:sc= 0.0705 USER MOD Set 1.2: A 91 SER OG : rot -85:sc= 0.065 USER MOD Set 2.1: A 43 ASN : amide:sc= -3.18! C(o=-3!,f=-14!) USER MOD Set 2.2: A 45 THR OG1 : rot 73:sc= 0.137 USER MOD Set 3.1: A 29 CYS SG : rot -169:sc= 1.31 USER MOD Set 3.2: A 79 CYS SG : rot 41:sc= 1.21 USER MOD Set 4.1: A 24 MET CE :methyl 152:sc= -1.31 (180deg=0) USER MOD Set 4.2: A 65 ASN : amide:sc= -1.51 X(o=-2.8,f=-2.7) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.355 K(o=0.35,f=-2.8!) USER MOD Single : A 20 SER OG : rot 19:sc= 1.08 USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00108) USER MOD Single : A 31 THR OG1 : rot 170:sc= 0 USER MOD Single : A 34 MET CE :methyl -177:sc= 0 (180deg=-0.0118) USER MOD Single : A 35 SER OG : rot -90:sc= 1.16 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0907 USER MOD Single : A 49 HIS : no HE2:sc= 0.0543 X(o=0.054,f=-0.4) USER MOD Single : A 51 SER OG : rot -90:sc=-0.000771 USER MOD Single : A 53 HIS : no HD1:sc= -0.789 K(o=-0.79,f=-4.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.13 K(o=-1.1,f=-5.3!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -4.5 F(o=-6.3!,f=-4.5) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 77 TYR OH : rot -33:sc= 0.814 USER MOD Single : A 80 MET CE :methyl 170:sc= -1.59 (180deg=-1.67) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -2.14 K(o=-2.1,f=-8.3!) USER MOD Single : A 87 ASN : amide:sc= -0.616 X(o=-0.62,f=-0.73) USER MOD Single : A 88 SER OG : rot -1:sc= 1.04 USER MOD Single : A 89 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.3!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.998 K(o=-1,f=-5.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 10 12.412 0.161 -6.289 1.00 0.00 N ATOM 101 CA ILE A 10 10.985 0.391 -6.472 1.00 0.00 C ATOM 102 C ILE A 10 10.722 1.283 -7.681 1.00 0.00 C ATOM 103 O ILE A 10 10.699 2.508 -7.568 1.00 0.00 O ATOM 104 CB ILE A 10 10.355 1.039 -5.224 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.552 0.140 -4.002 1.00 0.00 C ATOM 106 CG2 ILE A 10 8.877 1.310 -5.457 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.532 0.891 -2.689 1.00 0.00 C ATOM 0 HA ILE A 10 10.527 -0.584 -6.636 1.00 0.00 H new ATOM 0 HB ILE A 10 10.853 1.990 -5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.769 -0.618 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.503 -0.385 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.446 1.768 -4.566 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.760 1.985 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.364 0.372 -5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.677 0.190 -1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.332 1.631 -2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.572 1.394 -2.572 1.00 0.00 H new ATOM 119 N MET A 11 10.522 0.658 -8.837 1.00 0.00 N ATOM 120 CA MET A 11 10.258 1.395 -10.067 1.00 0.00 C ATOM 121 C MET A 11 9.398 2.624 -9.790 1.00 0.00 C ATOM 122 O MET A 11 9.588 3.677 -10.400 1.00 0.00 O ATOM 123 CB MET A 11 9.563 0.492 -11.088 1.00 0.00 C ATOM 124 CG MET A 11 10.361 -0.754 -11.439 1.00 0.00 C ATOM 125 SD MET A 11 11.928 -0.371 -12.245 1.00 0.00 S ATOM 126 CE MET A 11 12.427 -1.998 -12.803 1.00 0.00 C ATOM 0 H MET A 11 10.538 -0.356 -8.947 1.00 0.00 H new ATOM 0 HA MET A 11 11.213 1.726 -10.475 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.592 0.193 -10.694 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.376 1.062 -11.998 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.554 -1.325 -10.531 1.00 0.00 H new ATOM 0 HG3 MET A 11 9.765 -1.389 -12.094 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.383 -1.927 -13.323 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.529 -2.662 -11.944 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.673 -2.397 -13.482 1.00 0.00 H new ATOM 136 N ASP A 12 8.452 2.483 -8.868 1.00 0.00 N ATOM 137 CA ASP A 12 7.563 3.583 -8.510 1.00 0.00 C ATOM 138 C ASP A 12 7.224 3.545 -7.023 1.00 0.00 C ATOM 139 O ASP A 12 6.805 2.514 -6.498 1.00 0.00 O ATOM 140 CB ASP A 12 6.280 3.521 -9.341 1.00 0.00 C ATOM 141 CG ASP A 12 5.472 4.800 -9.254 1.00 0.00 C ATOM 142 OD1 ASP A 12 4.811 5.014 -8.216 1.00 0.00 O ATOM 143 OD2 ASP A 12 5.500 5.587 -10.223 1.00 0.00 O ATOM 0 H ASP A 12 8.281 1.618 -8.355 1.00 0.00 H new ATOM 0 HA ASP A 12 8.079 4.519 -8.723 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.534 3.326 -10.383 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.669 2.685 -9.000 1.00 0.00 H new ATOM 148 N ALA A 13 7.408 4.676 -6.351 1.00 0.00 N ATOM 149 CA ALA A 13 7.121 4.772 -4.925 1.00 0.00 C ATOM 150 C ALA A 13 5.730 5.350 -4.683 1.00 0.00 C ATOM 151 O ALA A 13 5.264 6.232 -5.405 1.00 0.00 O ATOM 152 CB ALA A 13 8.175 5.621 -4.230 1.00 0.00 C ATOM 0 H ALA A 13 7.754 5.539 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 13 7.147 3.766 -4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.948 5.684 -3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.156 5.166 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.177 6.622 -4.660 1.00 0.00 H new ATOM 158 N PRO A 14 5.050 4.842 -3.645 1.00 0.00 N ATOM 159 CA PRO A 14 3.702 5.293 -3.284 1.00 0.00 C ATOM 160 C PRO A 14 3.697 6.710 -2.721 1.00 0.00 C ATOM 161 O PRO A 14 4.678 7.155 -2.125 1.00 0.00 O ATOM 162 CB PRO A 14 3.267 4.290 -2.213 1.00 0.00 C ATOM 163 CG PRO A 14 4.541 3.791 -1.622 1.00 0.00 C ATOM 164 CD PRO A 14 5.544 3.789 -2.742 1.00 0.00 C ATOM 0 HA PRO A 14 3.039 5.328 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.639 4.764 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.686 3.476 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.870 4.433 -0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.414 2.790 -1.210 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.549 4.008 -2.382 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.588 2.821 -3.240 1.00 0.00 H new ATOM 172 N ARG A 15 2.586 7.414 -2.913 1.00 0.00 N ATOM 173 CA ARG A 15 2.453 8.781 -2.425 1.00 0.00 C ATOM 174 C ARG A 15 1.140 8.964 -1.670 1.00 0.00 C ATOM 175 O ARG A 15 0.278 8.084 -1.681 1.00 0.00 O ATOM 176 CB ARG A 15 2.527 9.770 -3.589 1.00 0.00 C ATOM 177 CG ARG A 15 1.315 9.724 -4.505 1.00 0.00 C ATOM 178 CD ARG A 15 1.087 11.060 -5.195 1.00 0.00 C ATOM 179 NE ARG A 15 0.665 12.097 -4.257 1.00 0.00 N ATOM 180 CZ ARG A 15 0.556 13.380 -4.581 1.00 0.00 C ATOM 181 NH1 ARG A 15 0.836 13.783 -5.813 1.00 0.00 N ATOM 182 NH2 ARG A 15 0.165 14.264 -3.671 1.00 0.00 N ATOM 0 H ARG A 15 1.765 7.060 -3.403 1.00 0.00 H new ATOM 0 HA ARG A 15 3.277 8.977 -1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.633 10.779 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.423 9.563 -4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.454 8.945 -5.255 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.431 9.456 -3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.006 11.373 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.330 10.943 -5.970 1.00 0.00 H new ATOM 0 HE ARG A 15 0.442 11.820 -3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.136 13.107 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.751 14.769 -6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.052 13.958 -2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.081 15.250 -3.920 1.00 0.00 H new ATOM 196 N ASP A 16 0.994 10.110 -1.015 1.00 0.00 N ATOM 197 CA ASP A 16 -0.214 10.409 -0.256 1.00 0.00 C ATOM 198 C ASP A 16 -1.450 10.325 -1.145 1.00 0.00 C ATOM 199 O ASP A 16 -1.443 10.798 -2.283 1.00 0.00 O ATOM 200 CB ASP A 16 -0.116 11.800 0.373 1.00 0.00 C ATOM 201 CG ASP A 16 1.093 11.944 1.275 1.00 0.00 C ATOM 202 OD1 ASP A 16 2.206 12.151 0.748 1.00 0.00 O ATOM 203 OD2 ASP A 16 0.926 11.851 2.509 1.00 0.00 O ATOM 0 H ASP A 16 1.698 10.848 -0.994 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.308 9.666 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.068 12.550 -0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.020 12.000 0.948 1.00 0.00 H new ATOM 208 N LEU A 17 -2.510 9.720 -0.621 1.00 0.00 N ATOM 209 CA LEU A 17 -3.755 9.572 -1.368 1.00 0.00 C ATOM 210 C LEU A 17 -4.954 9.964 -0.511 1.00 0.00 C ATOM 211 O LEU A 17 -5.024 9.623 0.669 1.00 0.00 O ATOM 212 CB LEU A 17 -3.911 8.132 -1.857 1.00 0.00 C ATOM 213 CG LEU A 17 -5.268 7.773 -2.466 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.338 8.224 -3.917 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.522 6.277 -2.358 1.00 0.00 C ATOM 0 H LEU A 17 -2.533 9.324 0.319 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.715 10.239 -2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.138 7.936 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.723 7.462 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.045 8.294 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.310 7.960 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.202 9.304 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.552 7.731 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.492 6.040 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.741 5.736 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.516 5.982 -1.309 1.00 0.00 H new ATOM 227 N ASN A 18 -5.897 10.681 -1.114 1.00 0.00 N ATOM 228 CA ASN A 18 -7.095 11.117 -0.406 1.00 0.00 C ATOM 229 C ASN A 18 -8.344 10.472 -1.001 1.00 0.00 C ATOM 230 O ASN A 18 -8.720 10.758 -2.138 1.00 0.00 O ATOM 231 CB ASN A 18 -7.219 12.641 -0.462 1.00 0.00 C ATOM 232 CG ASN A 18 -6.781 13.208 -1.799 1.00 0.00 C ATOM 233 OD1 ASN A 18 -6.794 12.513 -2.815 1.00 0.00 O ATOM 234 ND2 ASN A 18 -6.389 14.477 -1.803 1.00 0.00 N ATOM 0 H ASN A 18 -5.855 10.972 -2.091 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.006 10.804 0.634 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.254 12.926 -0.271 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.615 13.081 0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.082 14.913 -2.672 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.395 15.015 -0.937 1.00 0.00 H new ATOM 241 N ILE A 19 -8.981 9.603 -0.224 1.00 0.00 N ATOM 242 CA ILE A 19 -10.187 8.919 -0.673 1.00 0.00 C ATOM 243 C ILE A 19 -11.271 8.957 0.399 1.00 0.00 C ATOM 244 O ILE A 19 -10.982 9.121 1.584 1.00 0.00 O ATOM 245 CB ILE A 19 -9.898 7.453 -1.044 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.197 6.732 -1.413 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.200 6.743 0.106 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.976 5.432 -2.155 1.00 0.00 C ATOM 0 H ILE A 19 -8.682 9.356 0.719 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.538 9.447 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.236 7.436 -1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.762 6.530 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.808 7.393 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.003 5.708 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.258 7.246 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.838 6.766 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.939 4.976 -2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.438 5.629 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.392 4.753 -1.534 1.00 0.00 H new ATOM 260 N SER A 20 -12.521 8.802 -0.026 1.00 0.00 N ATOM 261 CA SER A 20 -13.650 8.820 0.897 1.00 0.00 C ATOM 262 C SER A 20 -13.884 7.436 1.496 1.00 0.00 C ATOM 263 O SER A 20 -13.303 6.448 1.048 1.00 0.00 O ATOM 264 CB SER A 20 -14.914 9.298 0.180 1.00 0.00 C ATOM 265 OG SER A 20 -15.923 9.654 1.110 1.00 0.00 O ATOM 0 H SER A 20 -12.777 8.663 -1.003 1.00 0.00 H new ATOM 0 HA SER A 20 -13.416 9.512 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.677 10.155 -0.450 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.283 8.511 -0.478 1.00 0.00 H new ATOM 0 HG SER A 20 -15.517 9.813 1.988 1.00 0.00 H new ATOM 271 N GLU A 21 -14.739 7.375 2.512 1.00 0.00 N ATOM 272 CA GLU A 21 -15.050 6.113 3.173 1.00 0.00 C ATOM 273 C GLU A 21 -15.958 5.250 2.301 1.00 0.00 C ATOM 274 O GLU A 21 -16.865 5.756 1.641 1.00 0.00 O ATOM 275 CB GLU A 21 -15.718 6.371 4.525 1.00 0.00 C ATOM 276 CG GLU A 21 -16.208 5.108 5.213 1.00 0.00 C ATOM 277 CD GLU A 21 -17.409 5.358 6.105 1.00 0.00 C ATOM 278 OE1 GLU A 21 -17.593 6.513 6.542 1.00 0.00 O ATOM 279 OE2 GLU A 21 -18.163 4.397 6.366 1.00 0.00 O ATOM 0 H GLU A 21 -15.228 8.184 2.895 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.115 5.577 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.010 6.880 5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.561 7.047 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.469 4.366 4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.399 4.686 5.809 1.00 0.00 H new ATOM 286 N GLY A 22 -15.706 3.945 2.305 1.00 0.00 N ATOM 287 CA GLY A 22 -16.508 3.033 1.510 1.00 0.00 C ATOM 288 C GLY A 22 -16.211 3.140 0.028 1.00 0.00 C ATOM 289 O GLY A 22 -17.091 2.921 -0.806 1.00 0.00 O ATOM 0 H GLY A 22 -14.961 3.503 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.325 2.011 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.564 3.239 1.681 1.00 0.00 H new ATOM 293 N ARG A 23 -14.970 3.479 -0.302 1.00 0.00 N ATOM 294 CA ARG A 23 -14.560 3.618 -1.694 1.00 0.00 C ATOM 295 C ARG A 23 -13.342 2.749 -1.992 1.00 0.00 C ATOM 296 O ARG A 23 -12.746 2.167 -1.086 1.00 0.00 O ATOM 297 CB ARG A 23 -14.246 5.081 -2.012 1.00 0.00 C ATOM 298 CG ARG A 23 -15.456 5.997 -1.924 1.00 0.00 C ATOM 299 CD ARG A 23 -15.305 7.208 -2.832 1.00 0.00 C ATOM 300 NE ARG A 23 -16.522 8.015 -2.875 1.00 0.00 N ATOM 301 CZ ARG A 23 -17.616 7.659 -3.539 1.00 0.00 C ATOM 302 NH1 ARG A 23 -17.646 6.517 -4.212 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.684 8.447 -3.530 1.00 0.00 N ATOM 0 H ARG A 23 -14.230 3.663 0.376 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.385 3.285 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.480 5.437 -1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.826 5.144 -3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.354 5.444 -2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.589 6.328 -0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.475 7.822 -2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.054 6.877 -3.840 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.532 8.900 -2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.827 5.909 -4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.488 6.247 -4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.665 9.326 -3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.524 8.173 -4.040 1.00 0.00 H new ATOM 317 N MET A 24 -12.978 2.666 -3.268 1.00 0.00 N ATOM 318 CA MET A 24 -11.830 1.868 -3.684 1.00 0.00 C ATOM 319 C MET A 24 -10.565 2.718 -3.729 1.00 0.00 C ATOM 320 O MET A 24 -10.545 3.787 -4.339 1.00 0.00 O ATOM 321 CB MET A 24 -12.088 1.243 -5.057 1.00 0.00 C ATOM 322 CG MET A 24 -11.382 -0.088 -5.261 1.00 0.00 C ATOM 323 SD MET A 24 -12.133 -1.079 -6.567 1.00 0.00 S ATOM 324 CE MET A 24 -11.121 -2.555 -6.496 1.00 0.00 C ATOM 0 H MET A 24 -13.461 3.141 -4.031 1.00 0.00 H new ATOM 0 HA MET A 24 -11.686 1.073 -2.952 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.161 1.100 -5.186 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.764 1.939 -5.831 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.335 0.094 -5.505 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.399 -0.651 -4.328 1.00 0.00 H new ATOM 0 HE1 MET A 24 -11.703 -3.412 -6.836 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.249 -2.430 -7.138 1.00 0.00 H new ATOM 0 HE3 MET A 24 -10.794 -2.723 -5.470 1.00 0.00 H new ATOM 334 N ALA A 25 -9.511 2.237 -3.078 1.00 0.00 N ATOM 335 CA ALA A 25 -8.241 2.952 -3.046 1.00 0.00 C ATOM 336 C ALA A 25 -7.092 2.052 -3.489 1.00 0.00 C ATOM 337 O ALA A 25 -7.230 0.830 -3.531 1.00 0.00 O ATOM 338 CB ALA A 25 -7.978 3.497 -1.649 1.00 0.00 C ATOM 0 H ALA A 25 -9.511 1.355 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.304 3.786 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.027 4.029 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.779 4.181 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.940 2.672 -0.938 1.00 0.00 H new ATOM 344 N GLU A 26 -5.960 2.666 -3.820 1.00 0.00 N ATOM 345 CA GLU A 26 -4.789 1.918 -4.262 1.00 0.00 C ATOM 346 C GLU A 26 -3.513 2.728 -4.045 1.00 0.00 C ATOM 347 O GLU A 26 -3.524 3.957 -4.122 1.00 0.00 O ATOM 348 CB GLU A 26 -4.923 1.544 -5.740 1.00 0.00 C ATOM 349 CG GLU A 26 -6.159 0.716 -6.048 1.00 0.00 C ATOM 350 CD GLU A 26 -6.171 0.192 -7.471 1.00 0.00 C ATOM 351 OE1 GLU A 26 -5.597 0.863 -8.355 1.00 0.00 O ATOM 352 OE2 GLU A 26 -6.754 -0.888 -7.701 1.00 0.00 O ATOM 0 H GLU A 26 -5.829 3.677 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.726 1.006 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.949 2.456 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.037 0.988 -6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.211 -0.124 -5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.049 1.323 -5.881 1.00 0.00 H new ATOM 359 N LEU A 27 -2.416 2.030 -3.773 1.00 0.00 N ATOM 360 CA LEU A 27 -1.132 2.683 -3.544 1.00 0.00 C ATOM 361 C LEU A 27 -0.159 2.384 -4.681 1.00 0.00 C ATOM 362 O LEU A 27 0.313 1.257 -4.828 1.00 0.00 O ATOM 363 CB LEU A 27 -0.534 2.224 -2.213 1.00 0.00 C ATOM 364 CG LEU A 27 -1.083 2.908 -0.960 1.00 0.00 C ATOM 365 CD1 LEU A 27 -0.834 2.049 0.270 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.458 4.284 -0.787 1.00 0.00 C ATOM 0 H LEU A 27 -2.390 1.013 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.301 3.759 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.694 1.150 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.544 2.384 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.159 3.032 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.231 2.552 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.329 1.086 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.238 1.893 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.860 4.756 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.623 4.183 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.688 4.900 -1.656 1.00 0.00 H new ATOM 378 N LYS A 28 0.139 3.402 -5.481 1.00 0.00 N ATOM 379 CA LYS A 28 1.058 3.251 -6.602 1.00 0.00 C ATOM 380 C LYS A 28 2.414 2.739 -6.129 1.00 0.00 C ATOM 381 O LYS A 28 3.250 3.512 -5.658 1.00 0.00 O ATOM 382 CB LYS A 28 1.231 4.587 -7.330 1.00 0.00 C ATOM 383 CG LYS A 28 -0.042 5.089 -7.990 1.00 0.00 C ATOM 384 CD LYS A 28 -0.207 4.519 -9.389 1.00 0.00 C ATOM 385 CE LYS A 28 0.530 5.357 -10.422 1.00 0.00 C ATOM 386 NZ LYS A 28 -0.224 6.591 -10.776 1.00 0.00 N ATOM 0 H LYS A 28 -0.243 4.342 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 28 0.634 2.521 -7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.582 5.336 -6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.006 4.480 -8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.902 4.813 -7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.022 6.178 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.169 3.496 -9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.266 4.475 -9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.512 5.630 -10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.696 4.763 -11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.304 7.126 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.158 6.331 -11.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.345 7.179 -9.927 1.00 0.00 H new ATOM 400 N CYS A 29 2.627 1.435 -6.257 1.00 0.00 N ATOM 401 CA CYS A 29 3.883 0.820 -5.843 1.00 0.00 C ATOM 402 C CYS A 29 4.219 -0.378 -6.725 1.00 0.00 C ATOM 403 O CYS A 29 3.416 -1.299 -6.871 1.00 0.00 O ATOM 404 CB CYS A 29 3.803 0.384 -4.379 1.00 0.00 C ATOM 405 SG CYS A 29 5.373 -0.195 -3.694 1.00 0.00 S ATOM 0 H CYS A 29 1.946 0.782 -6.644 1.00 0.00 H new ATOM 0 HA CYS A 29 4.675 1.561 -5.951 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.445 1.222 -3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.064 -0.412 -4.288 1.00 0.00 H new ATOM 0 HG CYS A 29 5.163 -0.755 -2.540 1.00 0.00 H new ATOM 411 N ARG A 30 5.411 -0.357 -7.313 1.00 0.00 N ATOM 412 CA ARG A 30 5.853 -1.440 -8.184 1.00 0.00 C ATOM 413 C ARG A 30 7.160 -2.044 -7.680 1.00 0.00 C ATOM 414 O ARG A 30 8.072 -1.325 -7.270 1.00 0.00 O ATOM 415 CB ARG A 30 6.032 -0.931 -9.615 1.00 0.00 C ATOM 416 CG ARG A 30 4.752 -0.396 -10.237 1.00 0.00 C ATOM 417 CD ARG A 30 4.794 -0.477 -11.755 1.00 0.00 C ATOM 418 NE ARG A 30 4.828 -1.859 -12.228 1.00 0.00 N ATOM 419 CZ ARG A 30 5.060 -2.197 -13.491 1.00 0.00 C ATOM 420 NH1 ARG A 30 5.278 -1.259 -14.403 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.075 -3.476 -13.845 1.00 0.00 N ATOM 0 H ARG A 30 6.088 0.398 -7.202 1.00 0.00 H new ATOM 0 HA ARG A 30 5.087 -2.216 -8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.785 -0.143 -9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.415 -1.742 -10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.900 -0.965 -9.865 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.603 0.639 -9.931 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.921 0.027 -12.169 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.672 0.054 -12.122 1.00 0.00 H new ATOM 0 HE ARG A 30 4.665 -2.605 -11.551 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.268 -0.275 -14.135 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.456 -1.522 -15.372 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.908 -4.200 -13.147 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.253 -3.735 -14.815 1.00 0.00 H new ATOM 435 N THR A 31 7.244 -3.371 -7.713 1.00 0.00 N ATOM 436 CA THR A 31 8.438 -4.072 -7.258 1.00 0.00 C ATOM 437 C THR A 31 8.950 -5.034 -8.324 1.00 0.00 C ATOM 438 O THR A 31 8.194 -5.533 -9.158 1.00 0.00 O ATOM 439 CB THR A 31 8.169 -4.857 -5.961 1.00 0.00 C ATOM 440 OG1 THR A 31 6.930 -5.567 -6.066 1.00 0.00 O ATOM 441 CG2 THR A 31 8.123 -3.922 -4.762 1.00 0.00 C ATOM 0 H THR A 31 6.499 -3.981 -8.050 1.00 0.00 H new ATOM 0 HA THR A 31 9.195 -3.313 -7.063 1.00 0.00 H new ATOM 0 HB THR A 31 8.983 -5.567 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.843 -6.186 -5.311 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.932 -4.499 -3.857 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.078 -3.405 -4.667 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.327 -3.191 -4.901 1.00 0.00 H new ATOM 449 N PRO A 32 10.264 -5.303 -8.298 1.00 0.00 N ATOM 450 CA PRO A 32 10.905 -6.210 -9.255 1.00 0.00 C ATOM 451 C PRO A 32 10.503 -7.664 -9.035 1.00 0.00 C ATOM 452 O PRO A 32 9.872 -8.015 -8.038 1.00 0.00 O ATOM 453 CB PRO A 32 12.398 -6.020 -8.977 1.00 0.00 C ATOM 454 CG PRO A 32 12.465 -5.562 -7.561 1.00 0.00 C ATOM 455 CD PRO A 32 11.224 -4.744 -7.331 1.00 0.00 C ATOM 0 HA PRO A 32 10.617 -5.989 -10.283 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.948 -6.950 -9.119 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.836 -5.285 -9.652 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.505 -6.410 -6.878 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.362 -4.968 -7.385 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.864 -4.839 -6.307 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.403 -3.684 -7.509 1.00 0.00 H new ATOM 463 N PRO A 33 10.876 -8.532 -9.987 1.00 0.00 N ATOM 464 CA PRO A 33 10.566 -9.963 -9.919 1.00 0.00 C ATOM 465 C PRO A 33 11.352 -10.675 -8.824 1.00 0.00 C ATOM 466 O PRO A 33 12.503 -10.334 -8.552 1.00 0.00 O ATOM 467 CB PRO A 33 10.980 -10.482 -11.299 1.00 0.00 C ATOM 468 CG PRO A 33 12.018 -9.522 -11.769 1.00 0.00 C ATOM 469 CD PRO A 33 11.630 -8.183 -11.203 1.00 0.00 C ATOM 0 HA PRO A 33 9.518 -10.142 -9.678 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.377 -11.495 -11.238 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.131 -10.512 -11.982 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.009 -9.819 -11.425 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.055 -9.490 -12.858 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.505 -7.575 -10.973 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.021 -7.612 -11.904 1.00 0.00 H new ATOM 477 N MET A 34 10.724 -11.667 -8.200 1.00 0.00 N ATOM 478 CA MET A 34 11.367 -12.428 -7.136 1.00 0.00 C ATOM 479 C MET A 34 11.720 -11.525 -5.959 1.00 0.00 C ATOM 480 O MET A 34 12.817 -11.609 -5.407 1.00 0.00 O ATOM 481 CB MET A 34 12.628 -13.117 -7.662 1.00 0.00 C ATOM 482 CG MET A 34 12.386 -13.962 -8.902 1.00 0.00 C ATOM 483 SD MET A 34 13.737 -15.108 -9.236 1.00 0.00 S ATOM 484 CE MET A 34 15.041 -13.969 -9.698 1.00 0.00 C ATOM 0 H MET A 34 9.771 -11.962 -8.413 1.00 0.00 H new ATOM 0 HA MET A 34 10.665 -13.187 -6.791 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.378 -12.360 -7.889 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.041 -13.749 -6.876 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.460 -14.524 -8.779 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.249 -13.307 -9.762 1.00 0.00 H new ATOM 0 HE1 MET A 34 15.930 -14.531 -9.986 1.00 0.00 H new ATOM 0 HE2 MET A 34 14.710 -13.358 -10.538 1.00 0.00 H new ATOM 0 HE3 MET A 34 15.278 -13.324 -8.852 1.00 0.00 H new ATOM 494 N SER A 35 10.784 -10.661 -5.580 1.00 0.00 N ATOM 495 CA SER A 35 10.999 -9.739 -4.470 1.00 0.00 C ATOM 496 C SER A 35 9.909 -9.896 -3.414 1.00 0.00 C ATOM 497 O SER A 35 8.755 -10.179 -3.735 1.00 0.00 O ATOM 498 CB SER A 35 11.029 -8.296 -4.977 1.00 0.00 C ATOM 499 OG SER A 35 9.749 -7.887 -5.429 1.00 0.00 O ATOM 0 H SER A 35 9.870 -10.580 -6.025 1.00 0.00 H new ATOM 0 HA SER A 35 11.960 -9.977 -4.013 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.365 -7.634 -4.179 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.750 -8.208 -5.789 1.00 0.00 H new ATOM 0 HG SER A 35 9.659 -8.090 -6.383 1.00 0.00 H new ATOM 505 N SER A 36 10.285 -9.711 -2.153 1.00 0.00 N ATOM 506 CA SER A 36 9.342 -9.836 -1.048 1.00 0.00 C ATOM 507 C SER A 36 8.680 -8.495 -0.744 1.00 0.00 C ATOM 508 O SER A 36 9.242 -7.658 -0.039 1.00 0.00 O ATOM 509 CB SER A 36 10.053 -10.361 0.201 1.00 0.00 C ATOM 510 OG SER A 36 10.568 -11.663 -0.015 1.00 0.00 O ATOM 0 H SER A 36 11.236 -9.474 -1.871 1.00 0.00 H new ATOM 0 HA SER A 36 8.568 -10.545 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.865 -9.686 0.472 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.357 -10.376 1.040 1.00 0.00 H new ATOM 0 HG SER A 36 11.019 -11.975 0.797 1.00 0.00 H new ATOM 516 N VAL A 37 7.480 -8.299 -1.282 1.00 0.00 N ATOM 517 CA VAL A 37 6.739 -7.062 -1.069 1.00 0.00 C ATOM 518 C VAL A 37 5.749 -7.205 0.080 1.00 0.00 C ATOM 519 O VAL A 37 5.057 -8.217 0.196 1.00 0.00 O ATOM 520 CB VAL A 37 5.978 -6.638 -2.339 1.00 0.00 C ATOM 521 CG1 VAL A 37 5.170 -7.802 -2.891 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.079 -5.446 -2.047 1.00 0.00 C ATOM 0 H VAL A 37 7.001 -8.982 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 37 7.471 -6.294 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 37 6.705 -6.340 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.639 -7.483 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.840 -8.625 -3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.451 -8.133 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.549 -5.159 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.358 -5.715 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.686 -4.609 -1.701 1.00 0.00 H new ATOM 532 N LYS A 38 5.684 -6.185 0.930 1.00 0.00 N ATOM 533 CA LYS A 38 4.776 -6.195 2.071 1.00 0.00 C ATOM 534 C LYS A 38 4.192 -4.807 2.313 1.00 0.00 C ATOM 535 O LYS A 38 4.535 -3.850 1.620 1.00 0.00 O ATOM 536 CB LYS A 38 5.507 -6.679 3.325 1.00 0.00 C ATOM 537 CG LYS A 38 6.009 -8.109 3.224 1.00 0.00 C ATOM 538 CD LYS A 38 6.430 -8.649 4.580 1.00 0.00 C ATOM 539 CE LYS A 38 5.268 -9.319 5.298 1.00 0.00 C ATOM 540 NZ LYS A 38 5.568 -9.556 6.738 1.00 0.00 N ATOM 0 H LYS A 38 6.250 -5.340 0.850 1.00 0.00 H new ATOM 0 HA LYS A 38 3.958 -6.880 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.352 -6.019 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.836 -6.598 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.226 -8.742 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.854 -8.151 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.242 -9.365 4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.817 -7.835 5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.379 -8.695 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.040 -10.268 4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.752 -10.014 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.402 -10.172 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.760 -8.648 7.207 1.00 0.00 H new ATOM 554 N TRP A 39 3.310 -4.706 3.300 1.00 0.00 N ATOM 555 CA TRP A 39 2.679 -3.434 3.634 1.00 0.00 C ATOM 556 C TRP A 39 2.354 -3.362 5.122 1.00 0.00 C ATOM 557 O TRP A 39 1.616 -4.196 5.648 1.00 0.00 O ATOM 558 CB TRP A 39 1.404 -3.242 2.812 1.00 0.00 C ATOM 559 CG TRP A 39 1.667 -2.824 1.397 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.840 -3.644 0.319 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.789 -1.484 0.908 1.00 0.00 C ATOM 562 NE1 TRP A 39 2.063 -2.895 -0.811 1.00 0.00 N ATOM 563 CE2 TRP A 39 2.035 -1.567 -0.477 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.713 -0.223 1.504 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.206 -0.436 -1.271 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.882 0.899 0.715 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.126 0.787 -0.661 1.00 0.00 C ATOM 0 H TRP A 39 3.015 -5.489 3.883 1.00 0.00 H new ATOM 0 HA TRP A 39 3.381 -2.635 3.395 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.838 -4.174 2.809 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.779 -2.491 3.295 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.806 -4.723 0.350 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.223 -3.268 -1.747 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.525 -0.126 2.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.395 -0.521 -2.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.825 1.879 1.166 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.253 1.683 -1.251 1.00 0.00 H new ATOM 578 N LEU A 40 2.909 -2.360 5.796 1.00 0.00 N ATOM 579 CA LEU A 40 2.678 -2.179 7.225 1.00 0.00 C ATOM 580 C LEU A 40 1.505 -1.236 7.472 1.00 0.00 C ATOM 581 O LEU A 40 1.267 -0.308 6.697 1.00 0.00 O ATOM 582 CB LEU A 40 3.937 -1.633 7.901 1.00 0.00 C ATOM 583 CG LEU A 40 4.044 -1.865 9.408 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.502 -1.946 9.834 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.326 -0.760 10.170 1.00 0.00 C ATOM 0 H LEU A 40 3.522 -1.661 5.376 1.00 0.00 H new ATOM 0 HA LEU A 40 2.436 -3.151 7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.807 -2.083 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.989 -0.560 7.714 1.00 0.00 H new ATOM 0 HG LEU A 40 3.564 -2.815 9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.558 -2.111 10.910 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.988 -2.772 9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.007 -1.013 9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.412 -0.941 11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.777 0.202 9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.273 -0.748 9.888 1.00 0.00 H new ATOM 597 N LEU A 41 0.777 -1.476 8.556 1.00 0.00 N ATOM 598 CA LEU A 41 -0.371 -0.646 8.907 1.00 0.00 C ATOM 599 C LEU A 41 -0.083 0.182 10.155 1.00 0.00 C ATOM 600 O LEU A 41 0.718 -0.197 11.010 1.00 0.00 O ATOM 601 CB LEU A 41 -1.606 -1.519 9.134 1.00 0.00 C ATOM 602 CG LEU A 41 -1.889 -2.574 8.064 1.00 0.00 C ATOM 603 CD1 LEU A 41 -1.747 -1.975 6.673 1.00 0.00 C ATOM 604 CD2 LEU A 41 -0.957 -3.766 8.231 1.00 0.00 C ATOM 0 H LEU A 41 0.961 -2.239 9.208 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.563 0.035 8.078 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.498 -2.024 10.094 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.477 -0.868 9.213 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.915 -2.921 8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.952 -2.740 5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.455 -1.154 6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.732 -1.600 6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.172 -4.507 7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.077 -3.435 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.108 -4.211 9.215 1.00 0.00 H new ATOM 616 N PRO A 42 -0.752 1.338 10.266 1.00 0.00 N ATOM 617 CA PRO A 42 -0.587 2.243 11.408 1.00 0.00 C ATOM 618 C PRO A 42 -1.173 1.668 12.692 1.00 0.00 C ATOM 619 O PRO A 42 -1.187 2.329 13.730 1.00 0.00 O ATOM 620 CB PRO A 42 -1.357 3.495 10.982 1.00 0.00 C ATOM 621 CG PRO A 42 -2.368 3.005 10.004 1.00 0.00 C ATOM 622 CD PRO A 42 -1.723 1.853 9.285 1.00 0.00 C ATOM 0 HA PRO A 42 0.463 2.428 11.633 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.834 3.976 11.836 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.694 4.232 10.530 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.280 2.688 10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.649 3.793 9.305 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.454 1.094 9.006 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.233 2.176 8.367 1.00 0.00 H new ATOM 630 N ASN A 43 -1.656 0.432 12.616 1.00 0.00 N ATOM 631 CA ASN A 43 -2.244 -0.232 13.773 1.00 0.00 C ATOM 632 C ASN A 43 -1.227 -1.145 14.451 1.00 0.00 C ATOM 633 O ASN A 43 -1.398 -1.533 15.606 1.00 0.00 O ATOM 634 CB ASN A 43 -3.472 -1.042 13.353 1.00 0.00 C ATOM 635 CG ASN A 43 -3.101 -2.368 12.717 1.00 0.00 C ATOM 636 OD1 ASN A 43 -1.945 -2.596 12.361 1.00 0.00 O ATOM 637 ND2 ASN A 43 -4.083 -3.249 12.570 1.00 0.00 N ATOM 0 H ASN A 43 -1.652 -0.130 11.765 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.549 0.535 14.485 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.100 -1.224 14.225 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.066 -0.458 12.649 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.894 -4.158 12.147 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.027 -3.017 12.880 1.00 0.00 H new ATOM 644 N GLY A 44 -0.166 -1.484 13.725 1.00 0.00 N ATOM 645 CA GLY A 44 0.864 -2.347 14.272 1.00 0.00 C ATOM 646 C GLY A 44 0.838 -3.737 13.666 1.00 0.00 C ATOM 647 O GLY A 44 1.100 -4.726 14.351 1.00 0.00 O ATOM 0 H GLY A 44 -0.002 -1.176 12.767 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.841 -1.896 14.098 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.735 -2.422 15.352 1.00 0.00 H new ATOM 651 N THR A 45 0.519 -3.813 12.378 1.00 0.00 N ATOM 652 CA THR A 45 0.457 -5.091 11.680 1.00 0.00 C ATOM 653 C THR A 45 0.995 -4.968 10.259 1.00 0.00 C ATOM 654 O THR A 45 1.202 -3.864 9.756 1.00 0.00 O ATOM 655 CB THR A 45 -0.984 -5.632 11.626 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.578 -5.575 12.928 1.00 0.00 O ATOM 657 CG2 THR A 45 -1.006 -7.065 11.116 1.00 0.00 C ATOM 0 H THR A 45 0.299 -3.004 11.797 1.00 0.00 H new ATOM 0 HA THR A 45 1.078 -5.788 12.242 1.00 0.00 H new ATOM 0 HB THR A 45 -1.556 -5.010 10.938 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.782 -4.643 13.154 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.034 -7.425 11.087 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.580 -7.101 10.113 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.419 -7.697 11.782 1.00 0.00 H new ATOM 665 N VAL A 46 1.219 -6.110 9.616 1.00 0.00 N ATOM 666 CA VAL A 46 1.732 -6.130 8.251 1.00 0.00 C ATOM 667 C VAL A 46 1.134 -7.286 7.457 1.00 0.00 C ATOM 668 O VAL A 46 1.022 -8.406 7.958 1.00 0.00 O ATOM 669 CB VAL A 46 3.267 -6.247 8.230 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.777 -6.332 6.799 1.00 0.00 C ATOM 671 CG2 VAL A 46 3.900 -5.072 8.960 1.00 0.00 C ATOM 0 H VAL A 46 1.053 -7.033 10.018 1.00 0.00 H new ATOM 0 HA VAL A 46 1.441 -5.186 7.789 1.00 0.00 H new ATOM 0 HB VAL A 46 3.551 -7.164 8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.864 -6.414 6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.349 -7.208 6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.484 -5.435 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.985 -5.170 8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.609 -4.141 8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.560 -5.061 9.996 1.00 0.00 H new ATOM 681 N LEU A 47 0.753 -7.009 6.215 1.00 0.00 N ATOM 682 CA LEU A 47 0.167 -8.026 5.349 1.00 0.00 C ATOM 683 C LEU A 47 1.107 -8.370 4.198 1.00 0.00 C ATOM 684 O LEU A 47 2.114 -7.694 3.984 1.00 0.00 O ATOM 685 CB LEU A 47 -1.176 -7.544 4.799 1.00 0.00 C ATOM 686 CG LEU A 47 -2.273 -7.287 5.833 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.435 -6.535 5.204 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.750 -8.598 6.442 1.00 0.00 C ATOM 0 H LEU A 47 0.839 -6.088 5.785 1.00 0.00 H new ATOM 0 HA LEU A 47 0.007 -8.925 5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.008 -6.623 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.541 -8.285 4.088 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.857 -6.670 6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.205 -6.362 5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.083 -5.578 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.851 -7.125 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.530 -8.396 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.148 -9.241 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.914 -9.098 6.931 1.00 0.00 H new ATOM 700 N SER A 48 0.771 -9.423 3.460 1.00 0.00 N ATOM 701 CA SER A 48 1.586 -9.857 2.332 1.00 0.00 C ATOM 702 C SER A 48 0.738 -10.599 1.303 1.00 0.00 C ATOM 703 O SER A 48 -0.479 -10.713 1.450 1.00 0.00 O ATOM 704 CB SER A 48 2.726 -10.756 2.815 1.00 0.00 C ATOM 705 OG SER A 48 2.238 -12.020 3.229 1.00 0.00 O ATOM 0 H SER A 48 -0.060 -9.991 3.623 1.00 0.00 H new ATOM 0 HA SER A 48 2.008 -8.971 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.453 -10.888 2.014 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.247 -10.275 3.643 1.00 0.00 H new ATOM 0 HG SER A 48 2.986 -12.576 3.531 1.00 0.00 H new ATOM 711 N HIS A 49 1.391 -11.103 0.260 1.00 0.00 N ATOM 712 CA HIS A 49 0.699 -11.835 -0.794 1.00 0.00 C ATOM 713 C HIS A 49 0.004 -13.071 -0.231 1.00 0.00 C ATOM 714 O HIS A 49 -0.786 -13.718 -0.917 1.00 0.00 O ATOM 715 CB HIS A 49 1.683 -12.244 -1.891 1.00 0.00 C ATOM 716 CG HIS A 49 1.032 -12.494 -3.216 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.274 -11.548 -3.873 1.00 0.00 N ATOM 718 CD2 HIS A 49 1.031 -13.591 -4.009 1.00 0.00 C ATOM 719 CE1 HIS A 49 -0.167 -12.052 -5.011 1.00 0.00 C ATOM 720 NE2 HIS A 49 0.279 -13.291 -5.118 1.00 0.00 N ATOM 0 H HIS A 49 2.398 -11.018 0.123 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.058 -11.178 -1.222 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.433 -11.461 -2.006 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.209 -13.146 -1.578 1.00 0.00 H new ATOM 0 HD1 HIS A 49 0.084 -10.605 -3.533 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.529 -14.528 -3.807 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.787 -11.539 -5.731 1.00 0.00 H new ATOM 729 N ALA A 50 0.305 -13.393 1.023 1.00 0.00 N ATOM 730 CA ALA A 50 -0.292 -14.550 1.679 1.00 0.00 C ATOM 731 C ALA A 50 -1.595 -14.175 2.375 1.00 0.00 C ATOM 732 O ALA A 50 -2.624 -14.823 2.179 1.00 0.00 O ATOM 733 CB ALA A 50 0.686 -15.155 2.676 1.00 0.00 C ATOM 0 H ALA A 50 0.959 -12.869 1.605 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.520 -15.292 0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.227 -16.018 3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.590 -15.469 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.943 -14.412 3.431 1.00 0.00 H new ATOM 739 N SER A 51 -1.546 -13.126 3.189 1.00 0.00 N ATOM 740 CA SER A 51 -2.722 -12.667 3.918 1.00 0.00 C ATOM 741 C SER A 51 -3.972 -12.764 3.049 1.00 0.00 C ATOM 742 O SER A 51 -3.921 -12.528 1.841 1.00 0.00 O ATOM 743 CB SER A 51 -2.526 -11.225 4.391 1.00 0.00 C ATOM 744 OG SER A 51 -1.416 -11.122 5.265 1.00 0.00 O ATOM 0 H SER A 51 -0.703 -12.577 3.360 1.00 0.00 H new ATOM 0 HA SER A 51 -2.854 -13.311 4.787 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.377 -10.574 3.530 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.426 -10.880 4.899 1.00 0.00 H new ATOM 0 HG SER A 51 -1.713 -11.258 6.189 1.00 0.00 H new ATOM 750 N ARG A 52 -5.093 -13.112 3.671 1.00 0.00 N ATOM 751 CA ARG A 52 -6.356 -13.242 2.955 1.00 0.00 C ATOM 752 C ARG A 52 -7.264 -12.047 3.233 1.00 0.00 C ATOM 753 O ARG A 52 -8.488 -12.152 3.154 1.00 0.00 O ATOM 754 CB ARG A 52 -7.064 -14.537 3.356 1.00 0.00 C ATOM 755 CG ARG A 52 -8.131 -14.979 2.368 1.00 0.00 C ATOM 756 CD ARG A 52 -8.870 -16.214 2.861 1.00 0.00 C ATOM 757 NE ARG A 52 -8.161 -17.446 2.525 1.00 0.00 N ATOM 758 CZ ARG A 52 -8.341 -18.595 3.167 1.00 0.00 C ATOM 759 NH1 ARG A 52 -9.202 -18.669 4.172 1.00 0.00 N ATOM 760 NH2 ARG A 52 -7.659 -19.674 2.802 1.00 0.00 N ATOM 0 H ARG A 52 -5.153 -13.309 4.670 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.138 -13.271 1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.323 -15.330 3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.522 -14.402 4.336 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.841 -14.167 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.670 -15.191 1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.998 -16.153 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.868 -16.239 2.423 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.491 -17.423 1.756 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.729 -17.842 4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.338 -19.553 4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.996 -19.621 2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.798 -20.556 3.295 1.00 0.00 H new ATOM 774 N HIS A 53 -6.655 -10.911 3.559 1.00 0.00 N ATOM 775 CA HIS A 53 -7.408 -9.696 3.849 1.00 0.00 C ATOM 776 C HIS A 53 -8.262 -9.288 2.653 1.00 0.00 C ATOM 777 O HIS A 53 -7.788 -9.210 1.519 1.00 0.00 O ATOM 778 CB HIS A 53 -6.457 -8.559 4.224 1.00 0.00 C ATOM 779 CG HIS A 53 -7.067 -7.547 5.144 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.037 -6.653 4.743 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.840 -7.291 6.454 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.379 -5.890 5.766 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.668 -6.257 6.816 1.00 0.00 N ATOM 0 H HIS A 53 -5.643 -10.807 3.629 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.069 -9.899 4.692 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.570 -8.980 4.697 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.126 -8.058 3.314 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.138 -7.804 7.095 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.115 -5.100 5.747 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.724 -5.840 7.745 1.00 0.00 H new ATOM 792 N PRO A 54 -9.551 -9.020 2.909 1.00 0.00 N ATOM 793 CA PRO A 54 -10.498 -8.616 1.865 1.00 0.00 C ATOM 794 C PRO A 54 -10.212 -7.215 1.334 1.00 0.00 C ATOM 795 O PRO A 54 -10.102 -7.010 0.125 1.00 0.00 O ATOM 796 CB PRO A 54 -11.850 -8.650 2.581 1.00 0.00 C ATOM 797 CG PRO A 54 -11.523 -8.444 4.020 1.00 0.00 C ATOM 798 CD PRO A 54 -10.183 -9.092 4.237 1.00 0.00 C ATOM 0 HA PRO A 54 -10.445 -9.267 0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.514 -7.869 2.210 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.358 -9.601 2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.487 -7.382 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.282 -8.893 4.661 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.598 -8.563 4.990 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.285 -10.122 4.578 1.00 0.00 H new ATOM 806 N ARG A 55 -10.091 -6.255 2.245 1.00 0.00 N ATOM 807 CA ARG A 55 -9.818 -4.874 1.867 1.00 0.00 C ATOM 808 C ARG A 55 -8.385 -4.720 1.366 1.00 0.00 C ATOM 809 O ARG A 55 -8.155 -4.458 0.185 1.00 0.00 O ATOM 810 CB ARG A 55 -10.056 -3.941 3.056 1.00 0.00 C ATOM 811 CG ARG A 55 -11.510 -3.535 3.230 1.00 0.00 C ATOM 812 CD ARG A 55 -11.838 -3.245 4.686 1.00 0.00 C ATOM 813 NE ARG A 55 -10.683 -2.725 5.414 1.00 0.00 N ATOM 814 CZ ARG A 55 -10.661 -2.552 6.731 1.00 0.00 C ATOM 815 NH1 ARG A 55 -11.726 -2.856 7.460 1.00 0.00 N ATOM 816 NH2 ARG A 55 -9.572 -2.075 7.320 1.00 0.00 N ATOM 0 H ARG A 55 -10.178 -6.408 3.250 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.498 -4.604 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.713 -4.432 3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.450 -3.044 2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.717 -2.651 2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.157 -4.331 2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.654 -2.524 4.737 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.189 -4.158 5.167 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.848 -2.481 4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.564 -3.223 7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.707 -2.722 8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.751 -1.841 6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.556 -1.942 8.331 1.00 0.00 H new ATOM 830 N ILE A 56 -7.426 -4.885 2.271 1.00 0.00 N ATOM 831 CA ILE A 56 -6.017 -4.765 1.919 1.00 0.00 C ATOM 832 C ILE A 56 -5.563 -5.938 1.057 1.00 0.00 C ATOM 833 O ILE A 56 -5.323 -7.036 1.560 1.00 0.00 O ATOM 834 CB ILE A 56 -5.128 -4.693 3.175 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.680 -3.658 4.158 1.00 0.00 C ATOM 836 CG2 ILE A 56 -3.695 -4.355 2.791 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.061 -3.743 5.536 1.00 0.00 C ATOM 0 H ILE A 56 -7.599 -5.102 3.253 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.911 -3.839 1.354 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.133 -5.668 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.512 -2.660 3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.759 -3.790 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.079 -4.308 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.306 -5.124 2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.672 -3.390 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.500 -2.980 6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.251 -4.729 5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.986 -3.581 5.462 1.00 0.00 H new ATOM 849 N SER A 57 -5.447 -5.697 -0.245 1.00 0.00 N ATOM 850 CA SER A 57 -5.024 -6.734 -1.179 1.00 0.00 C ATOM 851 C SER A 57 -3.719 -6.346 -1.868 1.00 0.00 C ATOM 852 O SER A 57 -3.639 -5.315 -2.536 1.00 0.00 O ATOM 853 CB SER A 57 -6.112 -6.982 -2.226 1.00 0.00 C ATOM 854 OG SER A 57 -6.074 -8.320 -2.693 1.00 0.00 O ATOM 0 H SER A 57 -5.640 -4.793 -0.677 1.00 0.00 H new ATOM 0 HA SER A 57 -4.858 -7.651 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.091 -6.771 -1.795 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.978 -6.297 -3.063 1.00 0.00 H new ATOM 0 HG SER A 57 -6.780 -8.454 -3.360 1.00 0.00 H new ATOM 860 N VAL A 58 -2.697 -7.179 -1.700 1.00 0.00 N ATOM 861 CA VAL A 58 -1.395 -6.925 -2.305 1.00 0.00 C ATOM 862 C VAL A 58 -1.329 -7.485 -3.721 1.00 0.00 C ATOM 863 O VAL A 58 -1.042 -8.666 -3.921 1.00 0.00 O ATOM 864 CB VAL A 58 -0.258 -7.540 -1.468 1.00 0.00 C ATOM 865 CG1 VAL A 58 1.093 -7.240 -2.101 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.311 -7.025 -0.038 1.00 0.00 C ATOM 0 H VAL A 58 -2.746 -8.036 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.267 -5.843 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.391 -8.622 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.885 -7.682 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.126 -7.661 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.238 -6.161 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.500 -7.470 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.204 -5.940 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.267 -7.295 0.411 1.00 0.00 H new ATOM 876 N LEU A 59 -1.597 -6.631 -4.703 1.00 0.00 N ATOM 877 CA LEU A 59 -1.567 -7.040 -6.103 1.00 0.00 C ATOM 878 C LEU A 59 -0.216 -7.648 -6.464 1.00 0.00 C ATOM 879 O LEU A 59 0.826 -7.194 -5.993 1.00 0.00 O ATOM 880 CB LEU A 59 -1.860 -5.844 -7.010 1.00 0.00 C ATOM 881 CG LEU A 59 -3.292 -5.307 -6.972 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.552 -4.573 -5.666 1.00 0.00 C ATOM 883 CD2 LEU A 59 -3.550 -4.393 -8.161 1.00 0.00 C ATOM 0 H LEU A 59 -1.838 -5.651 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.336 -7.798 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.182 -5.034 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.626 -6.126 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.979 -6.151 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.575 -4.198 -5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.409 -5.257 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.859 -3.737 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.573 -4.020 -8.118 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.856 -3.553 -8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.406 -4.950 -9.086 1.00 0.00 H new ATOM 895 N ASN A 60 -0.241 -8.676 -7.305 1.00 0.00 N ATOM 896 CA ASN A 60 0.983 -9.345 -7.732 1.00 0.00 C ATOM 897 C ASN A 60 2.093 -8.333 -7.994 1.00 0.00 C ATOM 898 O ASN A 60 3.195 -8.451 -7.456 1.00 0.00 O ATOM 899 CB ASN A 60 0.724 -10.172 -8.993 1.00 0.00 C ATOM 900 CG ASN A 60 -0.081 -9.411 -10.029 1.00 0.00 C ATOM 901 OD1 ASN A 60 -1.169 -8.913 -9.742 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.454 -9.317 -11.241 1.00 0.00 N ATOM 0 H ASN A 60 -1.095 -9.064 -7.705 1.00 0.00 H new ATOM 0 HA ASN A 60 1.303 -10.009 -6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.677 -10.475 -9.428 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.193 -11.085 -8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.040 -8.816 -11.979 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.359 -9.746 -11.434 1.00 0.00 H new ATOM 909 N ASP A 61 1.796 -7.338 -8.822 1.00 0.00 N ATOM 910 CA ASP A 61 2.768 -6.303 -9.154 1.00 0.00 C ATOM 911 C ASP A 61 3.391 -5.716 -7.891 1.00 0.00 C ATOM 912 O ASP A 61 4.574 -5.380 -7.868 1.00 0.00 O ATOM 913 CB ASP A 61 2.106 -5.194 -9.973 1.00 0.00 C ATOM 914 CG ASP A 61 1.415 -5.726 -11.214 1.00 0.00 C ATOM 915 OD1 ASP A 61 0.498 -6.562 -11.071 1.00 0.00 O ATOM 916 OD2 ASP A 61 1.790 -5.304 -12.328 1.00 0.00 O ATOM 0 H ASP A 61 0.889 -7.226 -9.276 1.00 0.00 H new ATOM 0 HA ASP A 61 3.559 -6.761 -9.749 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.379 -4.672 -9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.860 -4.463 -10.265 1.00 0.00 H new ATOM 921 N GLY A 62 2.584 -5.596 -6.841 1.00 0.00 N ATOM 922 CA GLY A 62 3.073 -5.048 -5.589 1.00 0.00 C ATOM 923 C GLY A 62 2.272 -3.846 -5.130 1.00 0.00 C ATOM 924 O GLY A 62 2.779 -2.995 -4.398 1.00 0.00 O ATOM 0 H GLY A 62 1.601 -5.868 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.038 -5.820 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.118 -4.761 -5.705 1.00 0.00 H new ATOM 928 N THR A 63 1.017 -3.772 -5.562 1.00 0.00 N ATOM 929 CA THR A 63 0.146 -2.664 -5.194 1.00 0.00 C ATOM 930 C THR A 63 -0.768 -3.045 -4.035 1.00 0.00 C ATOM 931 O THR A 63 -1.037 -4.224 -3.804 1.00 0.00 O ATOM 932 CB THR A 63 -0.717 -2.208 -6.385 1.00 0.00 C ATOM 933 OG1 THR A 63 0.122 -1.825 -7.480 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.609 -1.040 -5.992 1.00 0.00 C ATOM 0 H THR A 63 0.581 -4.467 -6.168 1.00 0.00 H new ATOM 0 HA THR A 63 0.793 -1.842 -4.888 1.00 0.00 H new ATOM 0 HB THR A 63 -1.350 -3.043 -6.686 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.435 -1.538 -8.234 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.209 -0.736 -6.850 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.267 -1.343 -5.178 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.991 -0.203 -5.667 1.00 0.00 H new ATOM 942 N LEU A 64 -1.245 -2.040 -3.308 1.00 0.00 N ATOM 943 CA LEU A 64 -2.131 -2.269 -2.172 1.00 0.00 C ATOM 944 C LEU A 64 -3.517 -1.690 -2.437 1.00 0.00 C ATOM 945 O LEU A 64 -3.727 -0.483 -2.325 1.00 0.00 O ATOM 946 CB LEU A 64 -1.539 -1.649 -0.905 1.00 0.00 C ATOM 947 CG LEU A 64 -1.982 -2.274 0.418 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.484 -3.707 0.525 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.484 -1.445 1.593 1.00 0.00 C ATOM 0 H LEU A 64 -1.033 -1.058 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.229 -3.345 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.453 -1.711 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.797 -0.590 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.072 -2.287 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.809 -4.135 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.890 -4.296 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.395 -3.718 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.809 -1.905 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.395 -1.399 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.891 -0.436 1.525 1.00 0.00 H new ATOM 961 N ASN A 65 -4.459 -2.559 -2.787 1.00 0.00 N ATOM 962 CA ASN A 65 -5.826 -2.134 -3.065 1.00 0.00 C ATOM 963 C ASN A 65 -6.691 -2.228 -1.812 1.00 0.00 C ATOM 964 O ASN A 65 -6.432 -3.041 -0.925 1.00 0.00 O ATOM 965 CB ASN A 65 -6.431 -2.989 -4.181 1.00 0.00 C ATOM 966 CG ASN A 65 -7.892 -2.667 -4.429 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.767 -3.077 -3.667 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.161 -1.928 -5.499 1.00 0.00 N ATOM 0 H ASN A 65 -4.301 -3.562 -2.885 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.798 -1.093 -3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.866 -2.834 -5.100 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.333 -4.043 -3.921 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.126 -1.678 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.403 -1.610 -6.103 1.00 0.00 H new ATOM 975 N PHE A 66 -7.720 -1.390 -1.747 1.00 0.00 N ATOM 976 CA PHE A 66 -8.624 -1.377 -0.602 1.00 0.00 C ATOM 977 C PHE A 66 -10.080 -1.354 -1.059 1.00 0.00 C ATOM 978 O PHE A 66 -10.660 -0.289 -1.266 1.00 0.00 O ATOM 979 CB PHE A 66 -8.338 -0.166 0.287 1.00 0.00 C ATOM 980 CG PHE A 66 -6.940 -0.141 0.836 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.851 -0.012 -0.012 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.714 -0.249 2.198 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.563 0.011 0.489 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.428 -0.226 2.705 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.352 -0.097 1.850 1.00 0.00 C ATOM 0 H PHE A 66 -7.949 -0.711 -2.473 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.456 -2.288 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.511 0.745 -0.287 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.045 -0.159 1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.011 0.072 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.552 -0.352 2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.723 0.113 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.265 -0.309 3.769 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.347 -0.081 2.244 1.00 0.00 H new ATOM 995 N SER A 67 -10.664 -2.538 -1.214 1.00 0.00 N ATOM 996 CA SER A 67 -12.050 -2.656 -1.651 1.00 0.00 C ATOM 997 C SER A 67 -12.897 -1.522 -1.079 1.00 0.00 C ATOM 998 O SER A 67 -13.658 -0.876 -1.801 1.00 0.00 O ATOM 999 CB SER A 67 -12.629 -4.006 -1.224 1.00 0.00 C ATOM 1000 OG SER A 67 -13.631 -4.440 -2.127 1.00 0.00 O ATOM 0 H SER A 67 -10.199 -3.429 -1.043 1.00 0.00 H new ATOM 0 HA SER A 67 -12.070 -2.589 -2.739 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.832 -4.748 -1.176 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.049 -3.924 -0.222 1.00 0.00 H new ATOM 0 HG SER A 67 -13.984 -5.306 -1.833 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.760 -1.288 0.222 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.512 -0.232 0.892 1.00 0.00 C ATOM 1008 C HIS A 68 -12.777 0.251 2.138 1.00 0.00 C ATOM 1009 O HIS A 68 -12.696 -0.462 3.139 1.00 0.00 O ATOM 1010 CB HIS A 68 -14.907 -0.732 1.269 1.00 0.00 C ATOM 1011 CG HIS A 68 -14.917 -1.636 2.463 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.303 -1.411 3.740 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.491 -2.947 2.417 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -15.106 -2.579 4.436 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -14.616 -3.490 3.615 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.136 -1.815 0.833 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.609 0.606 0.202 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.550 0.126 1.467 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.336 -1.262 0.419 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.114 -3.451 1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.318 -2.728 5.485 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.375 -4.449 3.863 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.242 1.466 2.071 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.514 2.044 3.194 1.00 0.00 C ATOM 1026 C VAL A 69 -12.472 2.615 4.234 1.00 0.00 C ATOM 1027 O VAL A 69 -13.619 2.939 3.926 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.557 3.157 2.729 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.561 2.616 1.714 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.339 4.325 2.149 1.00 0.00 C ATOM 0 H VAL A 69 -12.299 2.069 1.250 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.932 1.239 3.643 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.000 3.516 3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.893 3.417 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.977 1.815 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.098 2.228 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.646 5.102 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.925 3.983 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.008 4.729 2.909 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.993 2.736 5.467 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.807 3.268 6.555 1.00 0.00 C ATOM 1042 C LEU A 70 -12.047 4.341 7.329 1.00 0.00 C ATOM 1043 O LEU A 70 -10.821 4.431 7.245 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.228 2.143 7.501 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.586 0.810 6.842 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.284 -0.347 7.781 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -15.050 0.796 6.428 1.00 0.00 C ATOM 0 H LEU A 70 -11.046 2.473 5.739 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.698 3.721 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.418 1.969 8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.088 2.483 8.077 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.975 0.693 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.545 -1.287 7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.222 -0.348 8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.868 -0.236 8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.287 -0.160 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.678 0.936 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.235 1.602 5.718 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.781 5.151 8.083 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.176 6.217 8.874 1.00 0.00 C ATOM 1061 C LEU A 71 -11.139 5.656 9.841 1.00 0.00 C ATOM 1062 O LEU A 71 -10.257 6.376 10.309 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.253 6.978 9.649 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.306 7.697 8.805 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.505 8.080 9.659 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.707 8.927 8.141 1.00 0.00 C ATOM 0 H LEU A 71 -13.796 5.090 8.164 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.675 6.903 8.191 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.763 6.275 10.308 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.762 7.714 10.286 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.645 7.016 8.024 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.244 8.591 9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.949 7.181 10.087 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.183 8.743 10.462 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.470 9.426 7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.339 9.611 8.906 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.881 8.627 7.496 1.00 0.00 H new ATOM 1078 N SER A 72 -11.249 4.364 10.135 1.00 0.00 N ATOM 1079 CA SER A 72 -10.321 3.706 11.047 1.00 0.00 C ATOM 1080 C SER A 72 -9.043 3.298 10.321 1.00 0.00 C ATOM 1081 O SER A 72 -8.033 2.979 10.950 1.00 0.00 O ATOM 1082 CB SER A 72 -10.978 2.476 11.677 1.00 0.00 C ATOM 1083 OG SER A 72 -10.339 2.122 12.891 1.00 0.00 O ATOM 0 H SER A 72 -11.971 3.753 9.755 1.00 0.00 H new ATOM 0 HA SER A 72 -10.061 4.414 11.834 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.033 2.678 11.863 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.932 1.639 10.981 1.00 0.00 H new ATOM 0 HG SER A 72 -10.778 1.334 13.274 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.094 3.310 8.994 1.00 0.00 N ATOM 1090 CA ASP A 73 -7.941 2.942 8.181 1.00 0.00 C ATOM 1091 C ASP A 73 -7.016 4.139 7.977 1.00 0.00 C ATOM 1092 O ASP A 73 -5.884 3.991 7.514 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.398 2.398 6.826 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.193 1.114 6.957 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -9.548 0.749 8.097 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -9.461 0.475 5.918 1.00 0.00 O ATOM 0 H ASP A 73 -9.922 3.571 8.458 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.389 2.164 8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.007 3.149 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.526 2.220 6.196 1.00 0.00 H new ATOM 1101 N THR A 74 -7.506 5.325 8.324 1.00 0.00 N ATOM 1102 CA THR A 74 -6.726 6.547 8.177 1.00 0.00 C ATOM 1103 C THR A 74 -5.437 6.477 8.987 1.00 0.00 C ATOM 1104 O THR A 74 -5.450 6.114 10.162 1.00 0.00 O ATOM 1105 CB THR A 74 -7.530 7.784 8.619 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.711 7.913 7.819 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.690 9.047 8.500 1.00 0.00 C ATOM 0 H THR A 74 -8.440 5.465 8.709 1.00 0.00 H new ATOM 0 HA THR A 74 -6.483 6.641 7.119 1.00 0.00 H new ATOM 0 HB THR A 74 -7.812 7.652 9.663 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.217 8.701 8.108 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.279 9.907 8.818 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.807 8.958 9.133 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.381 9.182 7.464 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.323 6.827 8.350 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.040 6.797 9.028 1.00 0.00 C ATOM 1117 C GLY A 75 -1.873 6.850 8.063 1.00 0.00 C ATOM 1118 O GLY A 75 -1.887 7.618 7.101 1.00 0.00 O ATOM 0 H GLY A 75 -4.286 7.131 7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.977 7.640 9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.971 5.889 9.628 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.857 6.032 8.320 1.00 0.00 N ATOM 1123 CA VAL A 76 0.325 5.989 7.467 1.00 0.00 C ATOM 1124 C VAL A 76 0.688 4.554 7.103 1.00 0.00 C ATOM 1125 O VAL A 76 0.742 3.678 7.967 1.00 0.00 O ATOM 1126 CB VAL A 76 1.534 6.656 8.148 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.788 6.476 7.307 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.257 8.131 8.399 1.00 0.00 C ATOM 0 H VAL A 76 -0.829 5.390 9.112 1.00 0.00 H new ATOM 0 HA VAL A 76 0.080 6.540 6.559 1.00 0.00 H new ATOM 0 HB VAL A 76 1.699 6.172 9.110 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.632 6.954 7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.994 5.413 7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.638 6.932 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.122 8.587 8.881 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.065 8.632 7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.386 8.233 9.046 1.00 0.00 H new ATOM 1138 N TYR A 77 0.937 4.319 5.820 1.00 0.00 N ATOM 1139 CA TYR A 77 1.294 2.989 5.341 1.00 0.00 C ATOM 1140 C TYR A 77 2.749 2.947 4.884 1.00 0.00 C ATOM 1141 O TYR A 77 3.252 3.896 4.281 1.00 0.00 O ATOM 1142 CB TYR A 77 0.375 2.575 4.191 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.068 2.390 4.605 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.887 3.485 4.847 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.611 1.120 4.754 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.205 3.321 5.227 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -2.928 0.946 5.132 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.721 2.050 5.367 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.034 1.882 5.744 1.00 0.00 O ATOM 0 H TYR A 77 0.898 5.033 5.092 1.00 0.00 H new ATOM 0 HA TYR A 77 1.171 2.288 6.167 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.425 3.331 3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.743 1.644 3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.487 4.482 4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.993 0.254 4.571 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.828 4.183 5.413 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.335 -0.048 5.243 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.296 2.607 6.349 1.00 0.00 H new ATOM 1159 N THR A 78 3.422 1.838 5.176 1.00 0.00 N ATOM 1160 CA THR A 78 4.819 1.670 4.797 1.00 0.00 C ATOM 1161 C THR A 78 5.032 0.359 4.048 1.00 0.00 C ATOM 1162 O THR A 78 4.863 -0.723 4.612 1.00 0.00 O ATOM 1163 CB THR A 78 5.743 1.700 6.029 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.555 2.921 6.753 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.202 1.570 5.615 1.00 0.00 C ATOM 0 H THR A 78 3.022 1.043 5.674 1.00 0.00 H new ATOM 0 HA THR A 78 5.071 2.504 4.142 1.00 0.00 H new ATOM 0 HB THR A 78 5.486 0.855 6.668 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.145 2.931 7.535 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.835 1.594 6.502 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.348 0.626 5.090 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.468 2.397 4.957 1.00 0.00 H new ATOM 1173 N CYS A 79 5.404 0.463 2.777 1.00 0.00 N ATOM 1174 CA CYS A 79 5.640 -0.716 1.951 1.00 0.00 C ATOM 1175 C CYS A 79 7.088 -1.181 2.068 1.00 0.00 C ATOM 1176 O CYS A 79 8.019 -0.402 1.862 1.00 0.00 O ATOM 1177 CB CYS A 79 5.304 -0.416 0.490 1.00 0.00 C ATOM 1178 SG CYS A 79 5.723 -1.752 -0.654 1.00 0.00 S ATOM 0 H CYS A 79 5.549 1.351 2.296 1.00 0.00 H new ATOM 0 HA CYS A 79 4.991 -1.516 2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.238 -0.205 0.410 1.00 0.00 H new ATOM 0 HB3 CYS A 79 5.832 0.488 0.185 1.00 0.00 H new ATOM 0 HG CYS A 79 5.419 -2.896 -0.116 1.00 0.00 H new ATOM 1184 N MET A 80 7.270 -2.454 2.401 1.00 0.00 N ATOM 1185 CA MET A 80 8.606 -3.022 2.546 1.00 0.00 C ATOM 1186 C MET A 80 8.989 -3.831 1.311 1.00 0.00 C ATOM 1187 O MET A 80 8.154 -4.519 0.724 1.00 0.00 O ATOM 1188 CB MET A 80 8.674 -3.908 3.791 1.00 0.00 C ATOM 1189 CG MET A 80 8.109 -3.248 5.038 1.00 0.00 C ATOM 1190 SD MET A 80 8.546 -4.128 6.550 1.00 0.00 S ATOM 1191 CE MET A 80 6.923 -4.567 7.167 1.00 0.00 C ATOM 0 H MET A 80 6.510 -3.112 2.576 1.00 0.00 H new ATOM 0 HA MET A 80 9.314 -2.200 2.655 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.128 -4.832 3.600 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.712 -4.184 3.975 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.476 -2.223 5.100 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.024 -3.193 4.955 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.026 -5.265 7.998 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.408 -3.669 7.509 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.345 -5.035 6.370 1.00 0.00 H new ATOM 1201 N VAL A 81 10.257 -3.743 0.921 1.00 0.00 N ATOM 1202 CA VAL A 81 10.751 -4.468 -0.244 1.00 0.00 C ATOM 1203 C VAL A 81 12.083 -5.147 0.055 1.00 0.00 C ATOM 1204 O VAL A 81 13.077 -4.484 0.354 1.00 0.00 O ATOM 1205 CB VAL A 81 10.925 -3.532 -1.454 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.310 -4.327 -2.693 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.652 -2.734 -1.697 1.00 0.00 C ATOM 0 H VAL A 81 10.961 -3.177 1.395 1.00 0.00 H new ATOM 0 HA VAL A 81 10.006 -5.227 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 81 11.731 -2.831 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.429 -3.649 -3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.249 -4.850 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.528 -5.053 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.792 -2.078 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.826 -3.418 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.424 -2.135 -0.816 1.00 0.00 H new ATOM 1217 N THR A 82 12.097 -6.473 -0.027 1.00 0.00 N ATOM 1218 CA THR A 82 13.306 -7.243 0.235 1.00 0.00 C ATOM 1219 C THR A 82 13.554 -8.269 -0.865 1.00 0.00 C ATOM 1220 O THR A 82 12.753 -9.180 -1.070 1.00 0.00 O ATOM 1221 CB THR A 82 13.226 -7.970 1.590 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.774 -7.067 2.605 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.582 -8.539 1.980 1.00 0.00 C ATOM 0 H THR A 82 11.283 -7.037 -0.273 1.00 0.00 H new ATOM 0 HA THR A 82 14.133 -6.534 0.260 1.00 0.00 H new ATOM 0 HB THR A 82 12.518 -8.793 1.494 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.724 -7.538 3.463 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.500 -9.048 2.940 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.911 -9.248 1.220 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.307 -7.729 2.059 1.00 0.00 H new ATOM 1231 N ASN A 83 14.670 -8.115 -1.571 1.00 0.00 N ATOM 1232 CA ASN A 83 15.023 -9.029 -2.651 1.00 0.00 C ATOM 1233 C ASN A 83 16.526 -9.294 -2.669 1.00 0.00 C ATOM 1234 O ASN A 83 17.323 -8.437 -2.289 1.00 0.00 O ATOM 1235 CB ASN A 83 14.579 -8.456 -3.998 1.00 0.00 C ATOM 1236 CG ASN A 83 15.008 -7.014 -4.183 1.00 0.00 C ATOM 1237 OD1 ASN A 83 15.435 -6.355 -3.234 1.00 0.00 O ATOM 1238 ND2 ASN A 83 14.895 -6.515 -5.408 1.00 0.00 N ATOM 0 H ASN A 83 15.345 -7.366 -1.414 1.00 0.00 H new ATOM 0 HA ASN A 83 14.507 -9.973 -2.478 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.996 -9.062 -4.802 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.494 -8.522 -4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.167 -5.549 -5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.536 -7.097 -6.165 1.00 0.00 H new ATOM 1245 N VAL A 84 16.905 -10.488 -3.115 1.00 0.00 N ATOM 1246 CA VAL A 84 18.311 -10.866 -3.185 1.00 0.00 C ATOM 1247 C VAL A 84 19.155 -9.740 -3.772 1.00 0.00 C ATOM 1248 O VAL A 84 20.328 -9.589 -3.434 1.00 0.00 O ATOM 1249 CB VAL A 84 18.509 -12.137 -4.032 1.00 0.00 C ATOM 1250 CG1 VAL A 84 17.962 -11.933 -5.437 1.00 0.00 C ATOM 1251 CG2 VAL A 84 19.980 -12.525 -4.075 1.00 0.00 C ATOM 0 H VAL A 84 16.258 -11.209 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 84 18.636 -11.065 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 84 17.955 -12.952 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.111 -12.841 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 84 16.897 -11.706 -5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.486 -11.105 -5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.101 -13.425 -4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.558 -11.713 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.336 -12.716 -3.062 1.00 0.00 H new ATOM 1261 N ALA A 85 18.548 -8.952 -4.654 1.00 0.00 N ATOM 1262 CA ALA A 85 19.242 -7.838 -5.287 1.00 0.00 C ATOM 1263 C ALA A 85 19.580 -6.753 -4.270 1.00 0.00 C ATOM 1264 O ALA A 85 20.683 -6.208 -4.273 1.00 0.00 O ATOM 1265 CB ALA A 85 18.398 -7.263 -6.415 1.00 0.00 C ATOM 0 H ALA A 85 17.577 -9.065 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 85 20.177 -8.213 -5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 85 18.929 -6.432 -6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 85 18.212 -8.036 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 85 17.448 -6.909 -6.015 1.00 0.00 H new ATOM 1271 N GLY A 86 18.622 -6.442 -3.402 1.00 0.00 N ATOM 1272 CA GLY A 86 18.838 -5.422 -2.393 1.00 0.00 C ATOM 1273 C GLY A 86 17.653 -5.270 -1.460 1.00 0.00 C ATOM 1274 O GLY A 86 16.854 -6.192 -1.305 1.00 0.00 O ATOM 0 H GLY A 86 17.700 -6.878 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.725 -5.673 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.037 -4.468 -2.882 1.00 0.00 H new ATOM 1278 N ASN A 87 17.540 -4.101 -0.836 1.00 0.00 N ATOM 1279 CA ASN A 87 16.444 -3.832 0.088 1.00 0.00 C ATOM 1280 C ASN A 87 15.976 -2.384 -0.031 1.00 0.00 C ATOM 1281 O ASN A 87 16.775 -1.481 -0.278 1.00 0.00 O ATOM 1282 CB ASN A 87 16.879 -4.122 1.526 1.00 0.00 C ATOM 1283 CG ASN A 87 15.908 -3.563 2.548 1.00 0.00 C ATOM 1284 OD1 ASN A 87 14.693 -3.695 2.402 1.00 0.00 O ATOM 1285 ND2 ASN A 87 16.442 -2.935 3.589 1.00 0.00 N ATOM 0 H ASN A 87 18.193 -3.326 -0.953 1.00 0.00 H new ATOM 0 HA ASN A 87 15.613 -4.487 -0.172 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.968 -5.199 1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 87 17.867 -3.695 1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.839 -2.538 4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 87 17.455 -2.850 3.668 1.00 0.00 H new ATOM 1292 N SER A 88 14.676 -2.172 0.147 1.00 0.00 N ATOM 1293 CA SER A 88 14.100 -0.836 0.056 1.00 0.00 C ATOM 1294 C SER A 88 12.684 -0.814 0.624 1.00 0.00 C ATOM 1295 O SER A 88 12.031 -1.851 0.730 1.00 0.00 O ATOM 1296 CB SER A 88 14.086 -0.361 -1.398 1.00 0.00 C ATOM 1297 OG SER A 88 15.399 -0.096 -1.861 1.00 0.00 O ATOM 0 H SER A 88 14.002 -2.909 0.355 1.00 0.00 H new ATOM 0 HA SER A 88 14.719 -0.160 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.621 -1.120 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.478 0.540 -1.484 1.00 0.00 H new ATOM 0 HG SER A 88 16.040 -0.263 -1.139 1.00 0.00 H new ATOM 1303 N ASN A 89 12.217 0.375 0.987 1.00 0.00 N ATOM 1304 CA ASN A 89 10.878 0.533 1.545 1.00 0.00 C ATOM 1305 C ASN A 89 10.346 1.940 1.291 1.00 0.00 C ATOM 1306 O ASN A 89 11.115 2.890 1.150 1.00 0.00 O ATOM 1307 CB ASN A 89 10.892 0.244 3.047 1.00 0.00 C ATOM 1308 CG ASN A 89 11.830 1.163 3.805 1.00 0.00 C ATOM 1309 OD1 ASN A 89 12.044 2.310 3.413 1.00 0.00 O ATOM 1310 ND2 ASN A 89 12.397 0.661 4.896 1.00 0.00 N ATOM 0 H ASN A 89 12.745 1.244 0.905 1.00 0.00 H new ATOM 0 HA ASN A 89 10.218 -0.180 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.883 0.352 3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.190 -0.791 3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.039 1.232 5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.191 -0.295 5.184 1.00 0.00 H new ATOM 1317 N ALA A 90 9.024 2.065 1.236 1.00 0.00 N ATOM 1318 CA ALA A 90 8.388 3.356 1.002 1.00 0.00 C ATOM 1319 C ALA A 90 7.237 3.585 1.976 1.00 0.00 C ATOM 1320 O ALA A 90 6.825 2.672 2.691 1.00 0.00 O ATOM 1321 CB ALA A 90 7.894 3.449 -0.434 1.00 0.00 C ATOM 0 H ALA A 90 8.373 1.288 1.350 1.00 0.00 H new ATOM 0 HA ALA A 90 9.132 4.135 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.421 4.418 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.737 3.339 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.169 2.657 -0.622 1.00 0.00 H new ATOM 1327 N SER A 91 6.722 4.810 1.998 1.00 0.00 N ATOM 1328 CA SER A 91 5.621 5.160 2.888 1.00 0.00 C ATOM 1329 C SER A 91 4.626 6.080 2.185 1.00 0.00 C ATOM 1330 O SER A 91 4.920 6.639 1.130 1.00 0.00 O ATOM 1331 CB SER A 91 6.154 5.838 4.152 1.00 0.00 C ATOM 1332 OG SER A 91 7.093 5.010 4.816 1.00 0.00 O ATOM 0 H SER A 91 7.049 5.577 1.410 1.00 0.00 H new ATOM 0 HA SER A 91 5.106 4.241 3.167 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.622 6.787 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.326 6.066 4.823 1.00 0.00 H new ATOM 0 HG SER A 91 6.620 4.382 5.401 1.00 0.00 H new ATOM 1338 N ALA A 92 3.447 6.230 2.780 1.00 0.00 N ATOM 1339 CA ALA A 92 2.409 7.082 2.214 1.00 0.00 C ATOM 1340 C ALA A 92 1.236 7.232 3.177 1.00 0.00 C ATOM 1341 O ALA A 92 0.837 6.274 3.839 1.00 0.00 O ATOM 1342 CB ALA A 92 1.933 6.520 0.883 1.00 0.00 C ATOM 0 H ALA A 92 3.187 5.772 3.654 1.00 0.00 H new ATOM 0 HA ALA A 92 2.836 8.071 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.158 7.166 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.771 6.471 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.528 5.519 1.034 1.00 0.00 H new ATOM 1348 N TYR A 93 0.689 8.440 3.251 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.437 8.717 4.136 1.00 0.00 C ATOM 1350 C TYR A 93 -1.763 8.541 3.402 1.00 0.00 C ATOM 1351 O TYR A 93 -1.876 8.853 2.215 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.335 10.136 4.696 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.347 10.433 5.780 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.628 10.868 5.462 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -1.023 10.277 7.122 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.555 11.141 6.449 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -1.944 10.547 8.116 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.209 10.978 7.774 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.130 11.248 8.760 1.00 0.00 O ATOM 0 H TYR A 93 1.007 9.243 2.709 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.402 8.005 4.961 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.668 10.289 5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.467 10.849 3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.903 10.995 4.425 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.034 9.939 7.393 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.546 11.480 6.184 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.675 10.421 9.154 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.728 11.081 9.638 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.765 8.040 4.116 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.085 7.823 3.534 1.00 0.00 C ATOM 1371 C LEU A 94 -5.159 8.551 4.335 1.00 0.00 C ATOM 1372 O LEU A 94 -5.295 8.345 5.541 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.400 6.327 3.479 1.00 0.00 C ATOM 1374 CG LEU A 94 -5.834 5.957 3.100 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.006 5.967 1.589 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.202 4.595 3.671 1.00 0.00 C ATOM 0 H LEU A 94 -2.689 7.776 5.098 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.079 8.224 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.724 5.860 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.180 5.894 4.455 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.506 6.702 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.033 5.701 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.784 6.962 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.324 5.244 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.226 4.348 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.525 3.839 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.119 4.621 4.758 1.00 0.00 H new ATOM 1388 N ASN A 95 -5.921 9.403 3.657 1.00 0.00 N ATOM 1389 CA ASN A 95 -6.985 10.160 4.305 1.00 0.00 C ATOM 1390 C ASN A 95 -8.354 9.585 3.955 1.00 0.00 C ATOM 1391 O ASN A 95 -8.674 9.383 2.783 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.917 11.632 3.891 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.048 12.452 4.481 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.801 11.972 5.329 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.173 13.696 4.034 1.00 0.00 N ATOM 0 H ASN A 95 -5.821 9.586 2.659 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.844 10.085 5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.963 12.052 4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.950 11.703 2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.916 14.295 4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.526 14.053 3.330 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.160 9.323 4.979 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.495 8.773 4.781 1.00 0.00 C ATOM 1404 C VAL A 96 -11.560 9.684 5.381 1.00 0.00 C ATOM 1405 O VAL A 96 -11.540 9.975 6.577 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.623 7.371 5.405 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -11.999 6.785 5.126 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.528 6.453 4.883 1.00 0.00 C ATOM 0 H VAL A 96 -8.911 9.483 5.955 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.650 8.699 3.705 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.505 7.462 6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.070 5.794 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.764 7.433 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.150 6.707 4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.634 5.467 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.611 6.367 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.553 6.867 5.140 1.00 0.00 H new ATOM 1418 N SER A 97 -12.490 10.130 4.543 1.00 0.00 N ATOM 1419 CA SER A 97 -13.562 11.012 4.991 1.00 0.00 C ATOM 1420 C SER A 97 -14.925 10.361 4.776 1.00 0.00 C ATOM 1421 O SER A 97 -15.179 9.755 3.735 1.00 0.00 O ATOM 1422 CB SER A 97 -13.498 12.346 4.245 1.00 0.00 C ATOM 1423 OG SER A 97 -14.154 13.369 4.975 1.00 0.00 O ATOM 0 H SER A 97 -12.523 9.896 3.551 1.00 0.00 H new ATOM 0 HA SER A 97 -13.429 11.194 6.058 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.457 12.624 4.078 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.961 12.241 3.264 1.00 0.00 H new ATOM 0 HG SER A 97 -14.098 14.212 4.479 1.00 0.00 H new ATOM 1429 N SER A 98 -15.799 10.491 5.769 1.00 0.00 N ATOM 1430 CA SER A 98 -17.136 9.913 5.692 1.00 0.00 C ATOM 1431 C SER A 98 -17.930 10.532 4.545 1.00 0.00 C ATOM 1432 O SER A 98 -17.796 11.719 4.252 1.00 0.00 O ATOM 1433 CB SER A 98 -17.880 10.118 7.012 1.00 0.00 C ATOM 1434 OG SER A 98 -19.132 9.454 7.001 1.00 0.00 O ATOM 0 H SER A 98 -15.605 10.991 6.636 1.00 0.00 H new ATOM 0 HA SER A 98 -17.033 8.844 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.274 9.743 7.837 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.031 11.183 7.186 1.00 0.00 H new ATOM 0 HG SER A 98 -19.587 9.599 7.857 1.00 0.00 H new