USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 153:sc= -1.46 (180deg=-2.55!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.914 X(o=-0.91,f=-0.92) USER MOD Single : A 7 ASN : amide:sc= -0.0428 K(o=-0.043,f=-2.4!) USER MOD Single : A 9 SER OG : rot 9:sc= 0.693! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= -0.353 (180deg=-1.51!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.865 K(o=-0.87,f=-0.22) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -6.99! C(o=-7!,f=-9!) USER MOD Single : A 52 ASN : amide:sc= -2.08! C(o=-2.1!,f=-3.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 71 GLN : amide:sc= 0.564 K(o=0.56,f=0) USER MOD Single : A 82 THR OG1 : rot 167:sc= 0.327 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.312 -11.501 -0.193 1.00 0.00 N ATOM 2 CA VAL A 1 -0.469 -10.860 0.857 1.00 0.00 C ATOM 3 C VAL A 1 -1.322 -10.513 2.080 1.00 0.00 C ATOM 4 O VAL A 1 -1.379 -9.377 2.507 1.00 0.00 O ATOM 5 CB VAL A 1 0.074 -9.587 0.207 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.101 -9.959 -0.864 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.078 -8.813 -0.437 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.895 -11.323 -1.129 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.358 -12.526 -0.024 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.272 -11.101 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 1 0.331 -11.516 1.201 1.00 0.00 H new ATOM 0 HB VAL A 1 0.550 -8.966 0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.488 -9.052 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.922 -10.511 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.626 -10.580 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -0.692 -7.905 -0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.554 -9.434 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.810 -8.548 0.326 1.00 0.00 H new ATOM 19 N THR A 2 -1.989 -11.483 2.645 1.00 0.00 N ATOM 20 CA THR A 2 -2.839 -11.205 3.837 1.00 0.00 C ATOM 21 C THR A 2 -2.021 -11.363 5.123 1.00 0.00 C ATOM 22 O THR A 2 -1.080 -12.130 5.184 1.00 0.00 O ATOM 23 CB THR A 2 -3.957 -12.247 3.783 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.619 -12.161 2.527 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.960 -11.984 4.909 1.00 0.00 C ATOM 0 H THR A 2 -1.982 -12.454 2.333 1.00 0.00 H new ATOM 0 HA THR A 2 -3.230 -10.188 3.833 1.00 0.00 H new ATOM 0 HB THR A 2 -3.532 -13.243 3.905 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.335 -12.829 2.488 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.756 -12.728 4.868 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.452 -12.048 5.871 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.388 -10.988 4.790 1.00 0.00 H new ATOM 33 N VAL A 3 -2.382 -10.646 6.150 1.00 0.00 N ATOM 34 CA VAL A 3 -1.633 -10.755 7.435 1.00 0.00 C ATOM 35 C VAL A 3 -2.279 -11.819 8.325 1.00 0.00 C ATOM 36 O VAL A 3 -3.435 -11.725 8.681 1.00 0.00 O ATOM 37 CB VAL A 3 -1.726 -9.364 8.072 1.00 0.00 C ATOM 38 CG1 VAL A 3 -2.006 -9.490 9.572 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.400 -8.633 7.865 1.00 0.00 C ATOM 0 H VAL A 3 -3.163 -9.989 6.156 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.595 -11.056 7.292 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.538 -8.807 7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.070 -8.496 10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.949 -10.016 9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.199 -10.048 10.047 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.457 -7.642 8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.405 -9.199 8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.201 -8.536 6.798 1.00 0.00 H new ATOM 49 N GLN A 4 -1.540 -12.832 8.684 1.00 0.00 N ATOM 50 CA GLN A 4 -2.117 -13.903 9.546 1.00 0.00 C ATOM 51 C GLN A 4 -1.502 -13.858 10.947 1.00 0.00 C ATOM 52 O GLN A 4 -0.299 -13.822 11.108 1.00 0.00 O ATOM 53 CB GLN A 4 -1.754 -15.214 8.845 1.00 0.00 C ATOM 54 CG GLN A 4 -2.451 -16.377 9.552 1.00 0.00 C ATOM 55 CD GLN A 4 -1.958 -17.703 8.969 1.00 0.00 C ATOM 56 OE1 GLN A 4 -0.792 -18.027 9.068 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.804 -18.489 8.360 1.00 0.00 N ATOM 0 H GLN A 4 -0.564 -12.965 8.419 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.194 -13.789 9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.057 -15.176 7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.674 -15.360 8.859 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.246 -16.340 10.622 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.531 -16.294 9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.784 -18.217 8.277 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.485 -19.375 7.968 1.00 0.00 H new ATOM 66 N ASP A 5 -2.322 -13.865 11.962 1.00 0.00 N ATOM 67 CA ASP A 5 -1.790 -13.831 13.355 1.00 0.00 C ATOM 68 C ASP A 5 -2.067 -15.168 14.049 1.00 0.00 C ATOM 69 O ASP A 5 -1.870 -15.315 15.239 1.00 0.00 O ATOM 70 CB ASP A 5 -2.552 -12.700 14.044 1.00 0.00 C ATOM 71 CG ASP A 5 -2.161 -11.364 13.411 1.00 0.00 C ATOM 72 OD1 ASP A 5 -1.183 -11.339 12.684 1.00 0.00 O ATOM 73 OD2 ASP A 5 -2.848 -10.387 13.664 1.00 0.00 O ATOM 0 H ASP A 5 -3.339 -13.893 11.887 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.713 -13.669 13.386 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.626 -12.860 13.949 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.325 -12.690 15.110 1.00 0.00 H new ATOM 78 N GLY A 6 -2.524 -16.142 13.309 1.00 0.00 N ATOM 79 CA GLY A 6 -2.816 -17.470 13.916 1.00 0.00 C ATOM 80 C GLY A 6 -3.333 -18.418 12.831 1.00 0.00 C ATOM 81 O GLY A 6 -2.803 -18.474 11.739 1.00 0.00 O ATOM 0 H GLY A 6 -2.708 -16.074 12.308 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.916 -17.879 14.374 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.558 -17.366 14.708 1.00 0.00 H new ATOM 85 N ASN A 7 -4.365 -19.163 13.120 1.00 0.00 N ATOM 86 CA ASN A 7 -4.912 -20.105 12.101 1.00 0.00 C ATOM 87 C ASN A 7 -5.833 -19.359 11.132 1.00 0.00 C ATOM 88 O ASN A 7 -6.367 -19.931 10.203 1.00 0.00 O ATOM 89 CB ASN A 7 -5.702 -21.140 12.900 1.00 0.00 C ATOM 90 CG ASN A 7 -5.924 -22.386 12.041 1.00 0.00 C ATOM 91 OD1 ASN A 7 -5.435 -22.468 10.931 1.00 0.00 O ATOM 92 ND2 ASN A 7 -6.647 -23.366 12.510 1.00 0.00 N ATOM 0 H ASN A 7 -4.853 -19.161 14.016 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.126 -20.566 11.502 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.161 -21.403 13.809 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.660 -20.723 13.209 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.802 -24.201 11.945 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.057 -23.297 13.441 1.00 0.00 H new ATOM 99 N PHE A 8 -6.023 -18.085 11.341 1.00 0.00 N ATOM 100 CA PHE A 8 -6.911 -17.305 10.432 1.00 0.00 C ATOM 101 C PHE A 8 -6.124 -16.178 9.758 1.00 0.00 C ATOM 102 O PHE A 8 -5.249 -15.578 10.350 1.00 0.00 O ATOM 103 CB PHE A 8 -7.998 -16.735 11.343 1.00 0.00 C ATOM 104 CG PHE A 8 -8.650 -17.864 12.105 1.00 0.00 C ATOM 105 CD1 PHE A 8 -8.059 -18.348 13.280 1.00 0.00 C ATOM 106 CD2 PHE A 8 -9.842 -18.430 11.637 1.00 0.00 C ATOM 107 CE1 PHE A 8 -8.661 -19.396 13.986 1.00 0.00 C ATOM 108 CE2 PHE A 8 -10.443 -19.478 12.344 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.852 -19.961 13.518 1.00 0.00 C ATOM 0 H PHE A 8 -5.602 -17.551 12.101 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.327 -17.917 9.632 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.566 -16.014 12.037 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.742 -16.202 10.751 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.139 -17.912 13.641 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.297 -18.058 10.731 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.206 -19.768 14.892 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.363 -19.914 11.984 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.316 -20.770 14.062 1.00 0.00 H new ATOM 119 N SER A 9 -6.428 -15.890 8.521 1.00 0.00 N ATOM 120 CA SER A 9 -5.698 -14.804 7.806 1.00 0.00 C ATOM 121 C SER A 9 -6.415 -13.465 8.006 1.00 0.00 C ATOM 122 O SER A 9 -7.604 -13.346 7.789 1.00 0.00 O ATOM 123 CB SER A 9 -5.724 -15.215 6.333 1.00 0.00 C ATOM 124 OG SER A 9 -7.035 -15.042 5.816 1.00 0.00 O ATOM 0 H SER A 9 -7.150 -16.360 7.975 1.00 0.00 H new ATOM 0 HA SER A 9 -4.680 -14.676 8.175 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.015 -14.614 5.764 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.415 -16.255 6.229 1.00 0.00 H new ATOM 0 HG SER A 9 -7.588 -14.575 6.477 1.00 0.00 H new ATOM 130 N PHE A 10 -5.698 -12.456 8.419 1.00 0.00 N ATOM 131 CA PHE A 10 -6.336 -11.125 8.635 1.00 0.00 C ATOM 132 C PHE A 10 -5.864 -10.129 7.570 1.00 0.00 C ATOM 133 O PHE A 10 -4.692 -9.828 7.466 1.00 0.00 O ATOM 134 CB PHE A 10 -5.866 -10.676 10.023 1.00 0.00 C ATOM 135 CG PHE A 10 -6.455 -11.569 11.092 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.546 -12.399 10.802 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.910 -11.558 12.383 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.090 -13.216 11.801 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.453 -12.377 13.380 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.542 -13.204 13.090 1.00 0.00 C ATOM 0 H PHE A 10 -4.698 -12.495 8.616 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.423 -11.178 8.566 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.778 -10.707 10.073 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.164 -9.642 10.198 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.968 -12.409 9.808 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.070 -10.917 12.609 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.932 -13.855 11.578 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.030 -12.370 14.374 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.961 -13.834 13.860 1.00 0.00 H new ATOM 150 N SER A 11 -6.768 -9.612 6.781 1.00 0.00 N ATOM 151 CA SER A 11 -6.369 -8.635 5.727 1.00 0.00 C ATOM 152 C SER A 11 -5.944 -7.310 6.373 1.00 0.00 C ATOM 153 O SER A 11 -6.172 -7.079 7.544 1.00 0.00 O ATOM 154 CB SER A 11 -7.620 -8.439 4.872 1.00 0.00 C ATOM 155 OG SER A 11 -7.319 -7.584 3.780 1.00 0.00 O ATOM 0 H SER A 11 -7.765 -9.824 6.821 1.00 0.00 H new ATOM 0 HA SER A 11 -5.525 -8.987 5.134 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.977 -9.401 4.506 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.421 -8.009 5.474 1.00 0.00 H new ATOM 0 HG SER A 11 -8.121 -7.460 3.231 1.00 0.00 H new ATOM 161 N LEU A 12 -5.322 -6.441 5.620 1.00 0.00 N ATOM 162 CA LEU A 12 -4.878 -5.136 6.196 1.00 0.00 C ATOM 163 C LEU A 12 -5.920 -4.046 5.929 1.00 0.00 C ATOM 164 O LEU A 12 -5.739 -2.900 6.292 1.00 0.00 O ATOM 165 CB LEU A 12 -3.571 -4.809 5.471 1.00 0.00 C ATOM 166 CG LEU A 12 -2.534 -5.897 5.763 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.855 -7.144 4.938 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.142 -5.385 5.391 1.00 0.00 C ATOM 0 H LEU A 12 -5.102 -6.577 4.633 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.749 -5.190 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.747 -4.739 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.196 -3.839 5.796 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.559 -6.148 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.116 -7.918 5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.848 -7.509 5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.830 -6.895 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.402 -6.158 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.118 -5.135 4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.912 -4.496 5.979 1.00 0.00 H new ATOM 180 N GLU A 13 -7.005 -4.390 5.294 1.00 0.00 N ATOM 181 CA GLU A 13 -8.054 -3.369 5.000 1.00 0.00 C ATOM 182 C GLU A 13 -8.833 -3.020 6.272 1.00 0.00 C ATOM 183 O GLU A 13 -8.723 -1.931 6.800 1.00 0.00 O ATOM 184 CB GLU A 13 -8.975 -4.029 3.975 1.00 0.00 C ATOM 185 CG GLU A 13 -8.166 -4.431 2.741 1.00 0.00 C ATOM 186 CD GLU A 13 -9.084 -5.131 1.738 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.232 -5.363 2.078 1.00 0.00 O ATOM 188 OE2 GLU A 13 -8.623 -5.425 0.647 1.00 0.00 O ATOM 0 H GLU A 13 -7.213 -5.333 4.965 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.626 -2.439 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.451 -4.907 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.772 -3.342 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.716 -3.549 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.350 -5.094 3.028 1.00 0.00 H new ATOM 195 N SER A 14 -9.627 -3.933 6.761 1.00 0.00 N ATOM 196 CA SER A 14 -10.423 -3.652 7.992 1.00 0.00 C ATOM 197 C SER A 14 -9.522 -3.135 9.117 1.00 0.00 C ATOM 198 O SER A 14 -9.893 -2.248 9.863 1.00 0.00 O ATOM 199 CB SER A 14 -11.040 -4.994 8.380 1.00 0.00 C ATOM 200 OG SER A 14 -11.536 -5.641 7.217 1.00 0.00 O ATOM 0 H SER A 14 -9.760 -4.862 6.362 1.00 0.00 H new ATOM 0 HA SER A 14 -11.178 -2.885 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.294 -5.622 8.868 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.847 -4.842 9.097 1.00 0.00 H new ATOM 0 HG SER A 14 -11.930 -6.503 7.465 1.00 0.00 H new ATOM 206 N VAL A 15 -8.340 -3.671 9.249 1.00 0.00 N ATOM 207 CA VAL A 15 -7.433 -3.196 10.331 1.00 0.00 C ATOM 208 C VAL A 15 -6.996 -1.757 10.048 1.00 0.00 C ATOM 209 O VAL A 15 -7.184 -0.873 10.858 1.00 0.00 O ATOM 210 CB VAL A 15 -6.247 -4.156 10.303 1.00 0.00 C ATOM 211 CG1 VAL A 15 -5.044 -3.513 10.998 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.635 -5.441 11.038 1.00 0.00 C ATOM 0 H VAL A 15 -7.965 -4.413 8.658 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.911 -3.188 11.310 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.982 -4.383 9.270 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.200 -4.202 10.976 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.775 -2.592 10.481 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.300 -3.286 12.033 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.795 -6.136 11.025 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.895 -5.206 12.070 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.492 -5.898 10.543 1.00 0.00 H new ATOM 222 N LYS A 16 -6.430 -1.506 8.902 1.00 0.00 N ATOM 223 CA LYS A 16 -6.014 -0.113 8.590 1.00 0.00 C ATOM 224 C LYS A 16 -7.213 0.816 8.779 1.00 0.00 C ATOM 225 O LYS A 16 -7.167 1.764 9.536 1.00 0.00 O ATOM 226 CB LYS A 16 -5.575 -0.141 7.127 1.00 0.00 C ATOM 227 CG LYS A 16 -5.347 1.289 6.636 1.00 0.00 C ATOM 228 CD LYS A 16 -4.975 1.269 5.151 1.00 0.00 C ATOM 229 CE LYS A 16 -5.081 2.684 4.577 1.00 0.00 C ATOM 230 NZ LYS A 16 -4.545 3.574 5.646 1.00 0.00 N ATOM 0 H LYS A 16 -6.239 -2.196 8.176 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.212 0.246 9.235 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.660 -0.723 7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.335 -0.629 6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.247 1.884 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.552 1.760 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.961 0.889 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.638 0.595 4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.505 2.781 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.114 2.936 4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.283 4.492 5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.272 3.717 6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.706 3.135 6.075 1.00 0.00 H new ATOM 244 N LYS A 17 -8.295 0.534 8.106 1.00 0.00 N ATOM 245 CA LYS A 17 -9.512 1.380 8.256 1.00 0.00 C ATOM 246 C LYS A 17 -10.265 0.986 9.531 1.00 0.00 C ATOM 247 O LYS A 17 -11.367 1.435 9.776 1.00 0.00 O ATOM 248 CB LYS A 17 -10.359 1.079 7.020 1.00 0.00 C ATOM 249 CG LYS A 17 -11.554 2.035 6.974 1.00 0.00 C ATOM 250 CD LYS A 17 -12.425 1.700 5.763 1.00 0.00 C ATOM 251 CE LYS A 17 -13.497 2.778 5.597 1.00 0.00 C ATOM 252 NZ LYS A 17 -13.775 2.816 4.133 1.00 0.00 N ATOM 0 H LYS A 17 -8.388 -0.248 7.457 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.275 2.441 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.757 1.189 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.707 0.046 7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.138 1.950 7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.207 3.066 6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.811 1.640 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.892 0.724 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.395 2.533 6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.145 3.744 5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.502 3.533 3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.903 3.057 3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.114 1.884 3.820 1.00 0.00 H new ATOM 266 N LEU A 18 -9.676 0.152 10.347 1.00 0.00 N ATOM 267 CA LEU A 18 -10.350 -0.270 11.609 1.00 0.00 C ATOM 268 C LEU A 18 -10.726 0.958 12.443 1.00 0.00 C ATOM 269 O LEU A 18 -11.808 1.041 12.989 1.00 0.00 O ATOM 270 CB LEU A 18 -9.303 -1.119 12.332 1.00 0.00 C ATOM 271 CG LEU A 18 -9.971 -2.003 13.386 1.00 0.00 C ATOM 272 CD1 LEU A 18 -8.986 -3.090 13.828 1.00 0.00 C ATOM 273 CD2 LEU A 18 -10.366 -1.154 14.596 1.00 0.00 C ATOM 0 H LEU A 18 -8.754 -0.256 10.193 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.274 -0.820 11.431 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.769 -1.740 11.613 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.564 -0.472 12.805 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.864 -2.463 12.962 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.457 -3.724 14.580 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.703 -3.696 12.968 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.096 -2.624 14.252 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.842 -1.787 15.345 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.476 -0.693 15.023 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.063 -0.376 14.283 1.00 0.00 H new ATOM 285 N LYS A 19 -9.843 1.915 12.542 1.00 0.00 N ATOM 286 CA LYS A 19 -10.158 3.137 13.338 1.00 0.00 C ATOM 287 C LYS A 19 -11.406 3.822 12.775 1.00 0.00 C ATOM 288 O LYS A 19 -12.325 4.152 13.498 1.00 0.00 O ATOM 289 CB LYS A 19 -8.934 4.040 13.187 1.00 0.00 C ATOM 290 CG LYS A 19 -9.089 5.260 14.100 1.00 0.00 C ATOM 291 CD LYS A 19 -7.904 6.207 13.898 1.00 0.00 C ATOM 292 CE LYS A 19 -7.998 7.360 14.900 1.00 0.00 C ATOM 293 NZ LYS A 19 -6.657 8.009 14.860 1.00 0.00 N ATOM 0 H LYS A 19 -8.920 1.904 12.108 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.364 2.908 14.384 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.029 3.491 13.445 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.829 4.359 12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.022 5.777 13.878 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.141 4.943 15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.966 5.668 14.034 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.904 6.595 12.879 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.785 8.061 14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.232 6.997 15.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.640 8.811 15.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.929 7.319 15.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.465 8.350 13.897 1.00 0.00 H new ATOM 307 N ASP A 20 -11.448 4.032 11.488 1.00 0.00 N ATOM 308 CA ASP A 20 -12.639 4.689 10.876 1.00 0.00 C ATOM 309 C ASP A 20 -13.566 3.630 10.276 1.00 0.00 C ATOM 310 O ASP A 20 -13.269 3.037 9.259 1.00 0.00 O ATOM 311 CB ASP A 20 -12.076 5.592 9.779 1.00 0.00 C ATOM 312 CG ASP A 20 -13.212 6.409 9.159 1.00 0.00 C ATOM 313 OD1 ASP A 20 -14.320 6.325 9.662 1.00 0.00 O ATOM 314 OD2 ASP A 20 -12.954 7.104 8.190 1.00 0.00 O ATOM 0 H ASP A 20 -10.709 3.777 10.833 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.223 5.253 11.604 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.319 6.258 10.194 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.586 4.990 9.013 1.00 0.00 H new ATOM 319 N LEU A 21 -14.685 3.383 10.901 1.00 0.00 N ATOM 320 CA LEU A 21 -15.624 2.357 10.366 1.00 0.00 C ATOM 321 C LEU A 21 -16.917 3.017 9.881 1.00 0.00 C ATOM 322 O LEU A 21 -17.572 3.734 10.611 1.00 0.00 O ATOM 323 CB LEU A 21 -15.906 1.428 11.548 1.00 0.00 C ATOM 324 CG LEU A 21 -16.352 0.059 11.029 1.00 0.00 C ATOM 325 CD1 LEU A 21 -17.401 0.247 9.932 1.00 0.00 C ATOM 326 CD2 LEU A 21 -15.146 -0.688 10.459 1.00 0.00 C ATOM 0 H LEU A 21 -14.989 3.846 11.757 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.207 1.821 9.514 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.012 1.322 12.162 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.680 1.857 12.184 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.782 -0.518 11.848 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.719 -0.728 9.562 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -18.261 0.779 10.338 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.971 0.824 9.113 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.463 -1.663 10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.715 -0.112 9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.398 -0.822 11.241 1.00 0.00 H new ATOM 518 N ARG A 33 -3.650 0.570 0.528 1.00 0.00 N ATOM 519 CA ARG A 33 -4.058 0.846 1.935 1.00 0.00 C ATOM 520 C ARG A 33 -2.830 0.826 2.849 1.00 0.00 C ATOM 521 O ARG A 33 -2.613 -0.110 3.592 1.00 0.00 O ATOM 522 CB ARG A 33 -5.021 -0.288 2.300 1.00 0.00 C ATOM 523 CG ARG A 33 -6.462 0.220 2.211 1.00 0.00 C ATOM 524 CD ARG A 33 -7.278 -0.712 1.314 1.00 0.00 C ATOM 525 NE ARG A 33 -8.515 0.054 0.991 1.00 0.00 N ATOM 526 CZ ARG A 33 -8.531 0.871 -0.027 1.00 0.00 C ATOM 527 NH1 ARG A 33 -8.558 2.161 0.171 1.00 0.00 N ATOM 528 NH2 ARG A 33 -8.520 0.398 -1.243 1.00 0.00 N ATOM 0 HA ARG A 33 -4.524 1.825 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.879 -1.132 1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.812 -0.647 3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.905 0.264 3.206 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.477 1.233 1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.727 -0.973 0.410 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.513 -1.646 1.825 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.350 -0.060 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.567 2.531 1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.570 2.799 -0.625 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.499 -0.610 -1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.533 1.036 -2.039 1.00 0.00 H new ATOM 542 N ASN A 34 -2.022 1.850 2.796 1.00 0.00 N ATOM 543 CA ASN A 34 -0.805 1.885 3.657 1.00 0.00 C ATOM 544 C ASN A 34 -0.707 3.226 4.392 1.00 0.00 C ATOM 545 O ASN A 34 0.363 3.661 4.768 1.00 0.00 O ATOM 546 CB ASN A 34 0.368 1.717 2.691 1.00 0.00 C ATOM 547 CG ASN A 34 0.248 0.372 1.971 1.00 0.00 C ATOM 548 OD1 ASN A 34 0.418 0.296 0.771 1.00 0.00 O ATOM 549 ND2 ASN A 34 -0.038 -0.699 2.658 1.00 0.00 N ATOM 0 H ASN A 34 -2.152 2.663 2.194 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.821 1.108 4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.375 2.530 1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.311 1.767 3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.119 -1.600 2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.181 -0.635 3.666 1.00 0.00 H new ATOM 619 N PRO A 39 -0.457 3.517 14.968 1.00 0.00 N ATOM 620 CA PRO A 39 -1.029 2.821 16.144 1.00 0.00 C ATOM 621 C PRO A 39 -1.035 3.744 17.367 1.00 0.00 C ATOM 622 O PRO A 39 -0.364 4.757 17.393 1.00 0.00 O ATOM 623 CB PRO A 39 -0.066 1.649 16.343 1.00 0.00 C ATOM 624 CG PRO A 39 1.030 1.719 15.261 1.00 0.00 C ATOM 625 CD PRO A 39 0.770 2.941 14.371 1.00 0.00 C ATOM 0 HA PRO A 39 -2.064 2.508 16.006 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.381 1.692 17.336 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.603 0.703 16.276 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.014 1.793 15.725 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.027 0.808 14.662 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.602 3.645 14.395 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.621 2.659 13.329 1.00 0.00 H new ATOM 633 N GLY A 40 -1.784 3.402 18.379 1.00 0.00 N ATOM 634 CA GLY A 40 -1.828 4.261 19.595 1.00 0.00 C ATOM 635 C GLY A 40 -3.222 4.204 20.225 1.00 0.00 C ATOM 636 O GLY A 40 -3.438 4.700 21.314 1.00 0.00 O ATOM 0 H GLY A 40 -2.367 2.566 18.416 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.081 3.926 20.314 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.580 5.290 19.333 1.00 0.00 H new ATOM 640 N GLU A 41 -4.172 3.606 19.558 1.00 0.00 N ATOM 641 CA GLU A 41 -5.546 3.528 20.134 1.00 0.00 C ATOM 642 C GLU A 41 -5.966 2.067 20.322 1.00 0.00 C ATOM 643 O GLU A 41 -6.745 1.541 19.553 1.00 0.00 O ATOM 644 CB GLU A 41 -6.447 4.219 19.110 1.00 0.00 C ATOM 645 CG GLU A 41 -6.458 3.410 17.811 1.00 0.00 C ATOM 646 CD GLU A 41 -7.891 2.978 17.492 1.00 0.00 C ATOM 647 OE1 GLU A 41 -8.677 2.874 18.419 1.00 0.00 O ATOM 648 OE2 GLU A 41 -8.178 2.758 16.328 1.00 0.00 O ATOM 0 H GLU A 41 -4.057 3.170 18.643 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.606 4.000 21.114 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.460 4.309 19.503 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.088 5.230 18.918 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.057 4.009 16.993 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.816 2.535 17.910 1.00 0.00 H new ATOM 655 N PRO A 42 -5.433 1.457 21.349 1.00 0.00 N ATOM 656 CA PRO A 42 -5.753 0.043 21.654 1.00 0.00 C ATOM 657 C PRO A 42 -7.244 -0.113 21.969 1.00 0.00 C ATOM 658 O PRO A 42 -7.790 0.591 22.795 1.00 0.00 O ATOM 659 CB PRO A 42 -4.898 -0.235 22.894 1.00 0.00 C ATOM 660 CG PRO A 42 -4.118 1.044 23.255 1.00 0.00 C ATOM 661 CD PRO A 42 -4.485 2.147 22.253 1.00 0.00 C ATOM 0 HA PRO A 42 -5.550 -0.641 20.830 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.530 -0.540 23.728 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.208 -1.056 22.700 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.360 1.360 24.270 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.045 0.852 23.229 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.944 3.005 22.744 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.610 2.517 21.718 1.00 0.00 H new ATOM 669 N VAL A 43 -7.904 -1.031 21.319 1.00 0.00 N ATOM 670 CA VAL A 43 -9.358 -1.231 21.585 1.00 0.00 C ATOM 671 C VAL A 43 -9.671 -2.726 21.698 1.00 0.00 C ATOM 672 O VAL A 43 -9.110 -3.539 20.994 1.00 0.00 O ATOM 673 CB VAL A 43 -10.070 -0.624 20.376 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.665 0.845 20.231 1.00 0.00 C ATOM 675 CG2 VAL A 43 -9.675 -1.389 19.112 1.00 0.00 C ATOM 0 H VAL A 43 -7.501 -1.651 20.616 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.676 -0.767 22.519 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.149 -0.692 20.518 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.172 1.279 19.369 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.948 1.391 21.131 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.586 0.913 20.089 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.183 -0.956 18.251 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.597 -1.322 18.968 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.963 -2.435 19.215 1.00 0.00 H new ATOM 685 N VAL A 44 -10.563 -3.090 22.580 1.00 0.00 N ATOM 686 CA VAL A 44 -10.917 -4.531 22.743 1.00 0.00 C ATOM 687 C VAL A 44 -11.752 -4.734 24.016 1.00 0.00 C ATOM 688 O VAL A 44 -12.811 -5.325 23.968 1.00 0.00 O ATOM 689 CB VAL A 44 -9.574 -5.272 22.835 1.00 0.00 C ATOM 690 CG1 VAL A 44 -9.630 -6.334 23.937 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.282 -5.959 21.500 1.00 0.00 C ATOM 0 H VAL A 44 -11.063 -2.450 23.197 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.520 -4.904 21.915 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.789 -4.552 23.067 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.673 -6.852 23.992 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.839 -5.855 24.894 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.418 -7.052 23.711 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.330 -6.486 21.562 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.076 -6.671 21.276 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.232 -5.211 20.709 1.00 0.00 H new ATOM 753 N CYS A 48 -15.409 -5.036 21.538 1.00 0.00 N ATOM 754 CA CYS A 48 -15.216 -4.685 20.101 1.00 0.00 C ATOM 755 C CYS A 48 -15.605 -3.225 19.857 1.00 0.00 C ATOM 756 O CYS A 48 -16.760 -2.903 19.655 1.00 0.00 O ATOM 757 CB CYS A 48 -16.142 -5.627 19.334 1.00 0.00 C ATOM 758 SG CYS A 48 -15.697 -7.342 19.707 1.00 0.00 S ATOM 0 HA CYS A 48 -14.178 -4.792 19.785 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -17.180 -5.440 19.611 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -16.060 -5.443 18.263 1.00 0.00 H new ATOM 763 N SER A 49 -14.649 -2.338 19.877 1.00 0.00 N ATOM 764 CA SER A 49 -14.962 -0.898 19.651 1.00 0.00 C ATOM 765 C SER A 49 -15.674 -0.710 18.312 1.00 0.00 C ATOM 766 O SER A 49 -16.789 -0.232 18.252 1.00 0.00 O ATOM 767 CB SER A 49 -13.604 -0.195 19.643 1.00 0.00 C ATOM 768 OG SER A 49 -13.798 1.208 19.734 1.00 0.00 O ATOM 0 H SER A 49 -13.664 -2.548 20.040 1.00 0.00 H new ATOM 0 HA SER A 49 -15.625 -0.496 20.417 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.997 -0.544 20.478 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.061 -0.440 18.730 1.00 0.00 H new ATOM 0 HG SER A 49 -12.928 1.659 19.731 1.00 0.00 H new ATOM 774 N ASN A 50 -15.038 -1.081 17.239 1.00 0.00 N ATOM 775 CA ASN A 50 -15.674 -0.925 15.898 1.00 0.00 C ATOM 776 C ASN A 50 -16.660 -2.071 15.641 1.00 0.00 C ATOM 777 O ASN A 50 -16.262 -3.214 15.524 1.00 0.00 O ATOM 778 CB ASN A 50 -14.513 -0.983 14.907 1.00 0.00 C ATOM 779 CG ASN A 50 -13.894 0.410 14.770 1.00 0.00 C ATOM 780 OD1 ASN A 50 -12.748 0.614 15.114 1.00 0.00 O ATOM 781 ND2 ASN A 50 -14.613 1.382 14.280 1.00 0.00 N ATOM 0 H ASN A 50 -14.102 -1.487 17.230 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.240 0.002 15.812 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.762 -1.695 15.250 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.865 -1.334 13.937 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.212 2.315 14.185 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.576 1.209 13.991 1.00 0.00 H new ATOM 788 N PRO A 51 -17.920 -1.726 15.554 1.00 0.00 N ATOM 789 CA PRO A 51 -18.977 -2.737 15.307 1.00 0.00 C ATOM 790 C PRO A 51 -18.767 -3.434 13.958 1.00 0.00 C ATOM 791 O PRO A 51 -19.478 -4.355 13.609 1.00 0.00 O ATOM 792 CB PRO A 51 -20.254 -1.892 15.291 1.00 0.00 C ATOM 793 CG PRO A 51 -19.875 -0.417 15.534 1.00 0.00 C ATOM 794 CD PRO A 51 -18.354 -0.318 15.698 1.00 0.00 C ATOM 0 HA PRO A 51 -18.993 -3.535 16.049 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.765 -1.998 14.334 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.944 -2.236 16.061 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.205 0.200 14.698 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.376 -0.041 16.426 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.906 0.324 14.940 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.077 0.094 16.668 1.00 0.00 H new ATOM 802 N ASN A 52 -17.802 -3.000 13.195 1.00 0.00 N ATOM 803 CA ASN A 52 -17.560 -3.640 11.872 1.00 0.00 C ATOM 804 C ASN A 52 -16.057 -3.767 11.609 1.00 0.00 C ATOM 805 O ASN A 52 -15.602 -3.685 10.485 1.00 0.00 O ATOM 806 CB ASN A 52 -18.208 -2.698 10.861 1.00 0.00 C ATOM 807 CG ASN A 52 -19.728 -2.855 10.920 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.230 -3.839 11.424 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.489 -1.919 10.421 1.00 0.00 N ATOM 0 H ASN A 52 -17.173 -2.232 13.430 1.00 0.00 H new ATOM 0 HA ASN A 52 -17.972 -4.647 11.816 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.929 -1.667 11.078 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.847 -2.921 9.857 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.504 -2.015 10.455 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.069 -1.092 9.997 1.00 0.00 H new ATOM 816 N PHE A 53 -15.286 -3.984 12.639 1.00 0.00 N ATOM 817 CA PHE A 53 -13.812 -4.135 12.450 1.00 0.00 C ATOM 818 C PHE A 53 -13.523 -5.516 11.856 1.00 0.00 C ATOM 819 O PHE A 53 -14.443 -6.243 11.535 1.00 0.00 O ATOM 820 CB PHE A 53 -13.211 -3.996 13.856 1.00 0.00 C ATOM 821 CG PHE A 53 -13.188 -5.342 14.549 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.374 -6.066 14.715 1.00 0.00 C ATOM 823 CD2 PHE A 53 -11.977 -5.865 15.026 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.352 -7.310 15.358 1.00 0.00 C ATOM 825 CE2 PHE A 53 -11.956 -7.111 15.669 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.142 -7.831 15.833 1.00 0.00 C ATOM 0 H PHE A 53 -15.611 -4.063 13.603 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.389 -3.396 11.769 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.199 -3.596 13.789 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.796 -3.287 14.441 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.307 -5.665 14.347 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.061 -5.308 14.898 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.268 -7.867 15.487 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.024 -7.514 16.037 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.126 -8.791 16.327 1.00 0.00 H new ATOM 836 N PRO A 54 -12.264 -5.849 11.730 1.00 0.00 N ATOM 837 CA PRO A 54 -11.889 -7.167 11.179 1.00 0.00 C ATOM 838 C PRO A 54 -12.510 -8.282 12.025 1.00 0.00 C ATOM 839 O PRO A 54 -11.837 -8.962 12.770 1.00 0.00 O ATOM 840 CB PRO A 54 -10.360 -7.153 11.278 1.00 0.00 C ATOM 841 CG PRO A 54 -9.916 -5.798 11.862 1.00 0.00 C ATOM 842 CD PRO A 54 -11.161 -4.943 12.131 1.00 0.00 C ATOM 0 HA PRO A 54 -12.237 -7.345 10.161 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.015 -7.969 11.912 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.916 -7.304 10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.356 -5.950 12.785 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.251 -5.287 11.166 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.235 -4.652 13.179 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.157 -4.024 11.545 1.00 0.00 H new ATOM 850 N GLU A 55 -13.800 -8.455 11.920 1.00 0.00 N ATOM 851 CA GLU A 55 -14.486 -9.509 12.718 1.00 0.00 C ATOM 852 C GLU A 55 -13.646 -10.786 12.744 1.00 0.00 C ATOM 853 O GLU A 55 -13.588 -11.479 13.741 1.00 0.00 O ATOM 854 CB GLU A 55 -15.815 -9.745 12.004 1.00 0.00 C ATOM 855 CG GLU A 55 -16.659 -10.724 12.822 1.00 0.00 C ATOM 856 CD GLU A 55 -17.961 -11.025 12.077 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.133 -10.502 10.988 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.764 -11.774 12.608 1.00 0.00 O ATOM 0 H GLU A 55 -14.410 -7.908 11.312 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.633 -9.212 13.756 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.348 -8.802 11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.639 -10.145 11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.103 -11.646 12.991 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.878 -10.300 13.802 1.00 0.00 H new ATOM 865 N GLU A 56 -12.979 -11.097 11.667 1.00 0.00 N ATOM 866 CA GLU A 56 -12.131 -12.323 11.657 1.00 0.00 C ATOM 867 C GLU A 56 -11.185 -12.279 12.859 1.00 0.00 C ATOM 868 O GLU A 56 -10.654 -13.282 13.293 1.00 0.00 O ATOM 869 CB GLU A 56 -11.349 -12.256 10.344 1.00 0.00 C ATOM 870 CG GLU A 56 -12.320 -12.378 9.168 1.00 0.00 C ATOM 871 CD GLU A 56 -11.532 -12.430 7.857 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.330 -12.230 7.903 1.00 0.00 O ATOM 873 OE2 GLU A 56 -12.145 -12.667 6.828 1.00 0.00 O ATOM 0 H GLU A 56 -12.984 -10.560 10.800 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.708 -13.245 11.725 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.801 -11.316 10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.611 -13.058 10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.927 -13.277 9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.005 -11.530 9.159 1.00 0.00 H new ATOM 880 N LEU A 57 -10.992 -11.109 13.405 1.00 0.00 N ATOM 881 CA LEU A 57 -10.105 -10.958 14.590 1.00 0.00 C ATOM 882 C LEU A 57 -10.953 -11.013 15.860 1.00 0.00 C ATOM 883 O LEU A 57 -10.531 -10.624 16.931 1.00 0.00 O ATOM 884 CB LEU A 57 -9.467 -9.581 14.423 1.00 0.00 C ATOM 885 CG LEU A 57 -8.410 -9.656 13.324 1.00 0.00 C ATOM 886 CD1 LEU A 57 -9.067 -10.053 12.001 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.730 -8.294 13.173 1.00 0.00 C ATOM 0 H LEU A 57 -11.417 -10.242 13.075 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.352 -11.743 14.667 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.226 -8.842 14.166 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.014 -9.259 15.361 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.664 -10.404 13.592 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.309 -10.105 11.220 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.544 -11.027 12.110 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.817 -9.310 11.730 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.976 -8.349 12.388 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.474 -7.543 12.909 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.255 -8.018 14.114 1.00 0.00 H new ATOM 899 N LYS A 58 -12.155 -11.493 15.727 1.00 0.00 N ATOM 900 CA LYS A 58 -13.073 -11.589 16.898 1.00 0.00 C ATOM 901 C LYS A 58 -12.316 -12.034 18.153 1.00 0.00 C ATOM 902 O LYS A 58 -12.400 -11.388 19.178 1.00 0.00 O ATOM 903 CB LYS A 58 -14.114 -12.636 16.500 1.00 0.00 C ATOM 904 CG LYS A 58 -15.515 -12.080 16.758 1.00 0.00 C ATOM 905 CD LYS A 58 -16.003 -12.545 18.131 1.00 0.00 C ATOM 906 CE LYS A 58 -17.486 -12.206 18.287 1.00 0.00 C ATOM 907 NZ LYS A 58 -18.197 -13.490 18.031 1.00 0.00 N ATOM 0 H LYS A 58 -12.547 -11.828 14.847 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.526 -10.627 17.137 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.001 -12.895 15.447 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.963 -13.552 17.072 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.499 -10.991 16.715 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.201 -12.419 15.982 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.851 -13.619 18.238 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.424 -12.061 18.918 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.702 -11.826 19.285 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.793 -11.436 17.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.223 -13.342 18.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.976 -13.824 17.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.889 -14.202 18.724 1.00 0.00 H new ATOM 921 N PRO A 59 -11.598 -13.124 18.042 1.00 0.00 N ATOM 922 CA PRO A 59 -10.830 -13.638 19.195 1.00 0.00 C ATOM 923 C PRO A 59 -9.936 -12.536 19.763 1.00 0.00 C ATOM 924 O PRO A 59 -9.863 -12.339 20.961 1.00 0.00 O ATOM 925 CB PRO A 59 -10.013 -14.776 18.575 1.00 0.00 C ATOM 926 CG PRO A 59 -10.366 -14.873 17.077 1.00 0.00 C ATOM 927 CD PRO A 59 -11.506 -13.890 16.776 1.00 0.00 C ATOM 0 HA PRO A 59 -11.445 -13.973 20.031 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.947 -14.589 18.701 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.233 -15.718 19.078 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.494 -14.638 16.467 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.667 -15.890 16.825 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.276 -13.247 15.926 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.438 -14.405 16.543 1.00 0.00 H new ATOM 935 N LEU A 60 -9.259 -11.808 18.919 1.00 0.00 N ATOM 936 CA LEU A 60 -8.384 -10.718 19.424 1.00 0.00 C ATOM 937 C LEU A 60 -9.214 -9.710 20.222 1.00 0.00 C ATOM 938 O LEU A 60 -8.763 -9.165 21.209 1.00 0.00 O ATOM 939 CB LEU A 60 -7.802 -10.070 18.168 1.00 0.00 C ATOM 940 CG LEU A 60 -6.935 -11.089 17.426 1.00 0.00 C ATOM 941 CD1 LEU A 60 -6.309 -10.432 16.195 1.00 0.00 C ATOM 942 CD2 LEU A 60 -5.829 -11.588 18.356 1.00 0.00 C ATOM 0 H LEU A 60 -9.275 -11.921 17.905 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.602 -11.082 20.091 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.606 -9.720 17.520 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.207 -9.198 18.438 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.553 -11.929 17.111 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.692 -11.160 15.668 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.098 -10.077 15.531 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.691 -9.590 16.507 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.210 -12.314 17.829 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.212 -10.747 18.672 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.275 -12.059 19.232 1.00 0.00 H new ATOM 954 N CYS A 61 -10.430 -9.461 19.810 1.00 0.00 N ATOM 955 CA CYS A 61 -11.286 -8.491 20.549 1.00 0.00 C ATOM 956 C CYS A 61 -11.586 -9.010 21.958 1.00 0.00 C ATOM 957 O CYS A 61 -11.856 -8.249 22.865 1.00 0.00 O ATOM 958 CB CYS A 61 -12.572 -8.400 19.726 1.00 0.00 C ATOM 959 SG CYS A 61 -13.723 -7.253 20.520 1.00 0.00 S ATOM 0 H CYS A 61 -10.866 -9.889 18.993 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.804 -7.521 20.668 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.345 -8.061 18.715 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.029 -9.386 19.637 1.00 0.00 H new ATOM 964 N LYS A 62 -11.539 -10.300 22.151 1.00 0.00 N ATOM 965 CA LYS A 62 -11.818 -10.859 23.504 1.00 0.00 C ATOM 966 C LYS A 62 -10.545 -11.487 24.066 1.00 0.00 C ATOM 967 O LYS A 62 -10.587 -12.431 24.831 1.00 0.00 O ATOM 968 CB LYS A 62 -12.894 -11.923 23.280 1.00 0.00 C ATOM 969 CG LYS A 62 -14.187 -11.248 22.819 1.00 0.00 C ATOM 970 CD LYS A 62 -15.305 -12.289 22.729 1.00 0.00 C ATOM 971 CE LYS A 62 -15.719 -12.717 24.139 1.00 0.00 C ATOM 972 NZ LYS A 62 -17.160 -12.352 24.242 1.00 0.00 N ATOM 0 H LYS A 62 -11.320 -10.990 21.432 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.147 -10.101 24.215 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.560 -12.642 22.532 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.069 -12.479 24.201 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.466 -10.459 23.517 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.037 -10.776 21.848 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -16.161 -11.874 22.197 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.966 -13.154 22.160 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.571 -13.787 24.287 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.126 -12.205 24.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.518 -12.614 25.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.269 -11.327 24.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.700 -12.859 23.512 1.00 0.00 H new ATOM 986 N GLU A 63 -9.413 -10.971 23.680 1.00 0.00 N ATOM 987 CA GLU A 63 -8.125 -11.533 24.174 1.00 0.00 C ATOM 988 C GLU A 63 -7.347 -10.477 24.961 1.00 0.00 C ATOM 989 O GLU A 63 -7.306 -9.325 24.577 1.00 0.00 O ATOM 990 CB GLU A 63 -7.364 -11.913 22.904 1.00 0.00 C ATOM 991 CG GLU A 63 -7.250 -13.434 22.792 1.00 0.00 C ATOM 992 CD GLU A 63 -8.524 -14.098 23.326 1.00 0.00 C ATOM 993 OE1 GLU A 63 -9.482 -14.185 22.576 1.00 0.00 O ATOM 994 OE2 GLU A 63 -8.517 -14.507 24.476 1.00 0.00 O ATOM 0 H GLU A 63 -9.323 -10.181 23.041 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.272 -12.380 24.844 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.879 -11.514 22.030 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.370 -11.467 22.920 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.090 -13.719 21.752 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.385 -13.784 23.355 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.740 -10.904 26.038 1.00 0.00 N ATOM 1002 CA PRO A 64 -5.943 -9.981 26.874 1.00 0.00 C ATOM 1003 C PRO A 64 -4.769 -9.425 26.065 1.00 0.00 C ATOM 1004 O PRO A 64 -4.287 -8.338 26.317 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.456 -10.888 28.008 1.00 0.00 C ATOM 1006 CG PRO A 64 -6.003 -12.311 27.772 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.818 -12.318 26.473 1.00 0.00 C ATOM 0 HA PRO A 64 -6.498 -9.114 27.233 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.367 -10.902 28.039 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.798 -10.507 28.970 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.182 -13.025 27.706 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.627 -12.619 28.611 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.394 -12.995 25.731 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.847 -12.635 26.641 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.306 -10.162 25.090 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.164 -9.674 24.264 1.00 0.00 C ATOM 1017 C ASN A 65 -3.663 -8.685 23.205 1.00 0.00 C ATOM 1018 O ASN A 65 -2.897 -7.944 22.624 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.590 -10.926 23.599 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.183 -11.935 24.675 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -1.621 -11.567 25.688 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.444 -13.201 24.496 1.00 0.00 N ATOM 0 H ASN A 65 -4.669 -11.079 24.831 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.417 -9.152 24.861 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.330 -11.368 22.932 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.727 -10.663 22.987 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.176 -13.882 25.206 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.916 -13.509 23.646 1.00 0.00 H new ATOM 1029 N ALA A 66 -4.944 -8.673 22.950 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.492 -7.735 21.928 1.00 0.00 C ATOM 1031 C ALA A 66 -4.865 -6.348 22.085 1.00 0.00 C ATOM 1032 O ALA A 66 -4.559 -5.683 21.116 1.00 0.00 O ATOM 1033 CB ALA A 66 -6.992 -7.676 22.210 1.00 0.00 C ATOM 0 H ALA A 66 -5.634 -9.271 23.405 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.278 -8.065 20.912 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.470 -7.004 21.498 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.420 -8.673 22.111 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.158 -7.309 23.223 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.671 -5.905 23.297 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.064 -4.560 23.505 1.00 0.00 C ATOM 1041 C GLN A 67 -2.732 -4.469 22.756 1.00 0.00 C ATOM 1042 O GLN A 67 -2.440 -3.483 22.107 1.00 0.00 O ATOM 1043 CB GLN A 67 -3.841 -4.452 25.013 1.00 0.00 C ATOM 1044 CG GLN A 67 -3.452 -3.015 25.363 1.00 0.00 C ATOM 1045 CD GLN A 67 -3.296 -2.884 26.879 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -3.594 -3.804 27.615 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -2.836 -1.770 27.381 1.00 0.00 N ATOM 0 H GLN A 67 -4.906 -6.414 24.149 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.698 -3.755 23.132 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.747 -4.736 25.548 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.056 -5.140 25.327 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.519 -2.748 24.866 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.214 -2.323 25.004 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.586 -0.997 26.764 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.727 -1.672 28.390 1.00 0.00 H new ATOM 1056 N GLU A 68 -1.923 -5.491 22.834 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.616 -5.465 22.120 1.00 0.00 C ATOM 1058 C GLU A 68 -0.824 -5.801 20.641 1.00 0.00 C ATOM 1059 O GLU A 68 -0.204 -5.230 19.768 1.00 0.00 O ATOM 1060 CB GLU A 68 0.228 -6.541 22.804 1.00 0.00 C ATOM 1061 CG GLU A 68 1.627 -6.566 22.186 1.00 0.00 C ATOM 1062 CD GLU A 68 2.447 -7.688 22.825 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.898 -8.399 23.651 1.00 0.00 O ATOM 1064 OE2 GLU A 68 3.610 -7.818 22.478 1.00 0.00 O ATOM 0 H GLU A 68 -2.112 -6.343 23.362 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.136 -4.487 22.161 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.295 -6.340 23.873 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.247 -7.516 22.693 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.558 -6.720 21.109 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.121 -5.607 22.340 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.701 -6.727 20.356 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.958 -7.102 18.935 1.00 0.00 C ATOM 1073 C ILE A 69 -2.534 -5.908 18.172 1.00 0.00 C ATOM 1074 O ILE A 69 -2.013 -5.498 17.154 1.00 0.00 O ATOM 1075 CB ILE A 69 -2.987 -8.230 19.003 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.407 -9.415 19.779 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.343 -8.675 17.583 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.474 -10.503 19.921 1.00 0.00 C ATOM 0 H ILE A 69 -2.250 -7.240 21.046 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.048 -7.407 18.418 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.882 -7.873 19.512 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.535 -9.812 19.260 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.071 -9.089 20.763 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.077 -9.480 17.627 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.761 -7.833 17.032 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.445 -9.030 17.077 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.062 -11.347 20.474 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.333 -10.102 20.459 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.788 -10.836 18.932 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.610 -5.351 18.656 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.228 -4.186 17.960 1.00 0.00 C ATOM 1092 C LEU A 70 -3.146 -3.208 17.490 1.00 0.00 C ATOM 1093 O LEU A 70 -2.961 -2.997 16.309 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.130 -3.534 19.012 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.616 -2.168 18.513 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.538 -1.115 18.773 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.907 -2.239 17.013 1.00 0.00 C ATOM 0 H LEU A 70 -4.089 -5.652 19.505 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.786 -4.483 17.072 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.984 -4.179 19.221 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.584 -3.415 19.948 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.528 -1.895 19.045 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.884 -0.144 18.418 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.335 -1.059 19.842 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.625 -1.390 18.244 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.252 -1.266 16.663 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.998 -2.515 16.479 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.679 -2.986 16.827 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.431 -2.607 18.402 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.368 -1.641 17.997 1.00 0.00 C ATOM 1111 C GLN A 71 -0.496 -2.238 16.890 1.00 0.00 C ATOM 1112 O GLN A 71 -0.303 -1.644 15.847 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.532 -1.412 19.256 1.00 0.00 C ATOM 1114 CG GLN A 71 -1.405 -0.794 20.349 1.00 0.00 C ATOM 1115 CD GLN A 71 -0.533 -0.449 21.557 1.00 0.00 C ATOM 1116 OE1 GLN A 71 0.191 0.527 21.540 1.00 0.00 O ATOM 1117 NE2 GLN A 71 -0.569 -1.216 22.612 1.00 0.00 N ATOM 0 H GLN A 71 -2.536 -2.742 19.408 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.790 -0.714 17.609 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.113 -2.357 19.603 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.307 -0.754 19.032 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.898 0.103 19.973 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.191 -1.491 20.640 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.177 -2.035 22.626 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.010 -0.996 23.422 1.00 0.00 H new ATOM 1126 N ARG A 72 0.038 -3.408 17.110 1.00 0.00 N ATOM 1127 CA ARG A 72 0.903 -4.042 16.075 1.00 0.00 C ATOM 1128 C ARG A 72 0.153 -4.132 14.745 1.00 0.00 C ATOM 1129 O ARG A 72 0.627 -3.679 13.722 1.00 0.00 O ATOM 1130 CB ARG A 72 1.213 -5.438 16.618 1.00 0.00 C ATOM 1131 CG ARG A 72 2.103 -5.309 17.856 1.00 0.00 C ATOM 1132 CD ARG A 72 2.540 -6.699 18.324 1.00 0.00 C ATOM 1133 NE ARG A 72 3.219 -6.461 19.630 1.00 0.00 N ATOM 1134 CZ ARG A 72 4.272 -7.158 19.957 1.00 0.00 C ATOM 1135 NH1 ARG A 72 4.289 -8.448 19.756 1.00 0.00 N ATOM 1136 NH2 ARG A 72 5.308 -6.566 20.486 1.00 0.00 N ATOM 0 H ARG A 72 -0.088 -3.953 17.963 1.00 0.00 H new ATOM 0 HA ARG A 72 1.812 -3.470 15.887 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.288 -5.956 16.872 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.714 -6.035 15.856 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.978 -4.701 17.625 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.562 -4.800 18.653 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.685 -7.366 18.438 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.215 -7.165 17.606 1.00 0.00 H new ATOM 0 HE ARG A 72 2.859 -5.752 20.269 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.479 -8.911 19.343 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.112 -8.993 20.012 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.294 -5.558 20.644 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.131 -7.111 20.742 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.016 -4.709 14.752 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.794 -4.822 13.487 1.00 0.00 C ATOM 1152 C LEU A 73 -1.864 -3.461 12.792 1.00 0.00 C ATOM 1153 O LEU A 73 -1.534 -3.329 11.630 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.188 -5.272 13.921 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.106 -6.671 14.533 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.500 -7.114 14.976 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.566 -7.652 13.489 1.00 0.00 C ATOM 0 H LEU A 73 -1.466 -5.106 15.577 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.341 -5.519 12.782 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.599 -4.570 14.647 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.863 -5.277 13.065 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.439 -6.654 15.395 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.443 -8.111 15.412 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.885 -6.415 15.718 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.167 -7.133 14.114 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.507 -8.650 13.924 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.234 -7.670 12.627 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.573 -7.335 13.172 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.293 -2.449 13.493 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.384 -1.098 12.872 1.00 0.00 C ATOM 1171 C GLU A 74 -1.042 -0.713 12.242 1.00 0.00 C ATOM 1172 O GLU A 74 -0.989 -0.216 11.134 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.727 -0.150 14.023 1.00 0.00 C ATOM 1174 CG GLU A 74 -4.021 -0.613 14.695 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.473 0.436 15.713 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.640 1.220 16.136 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.645 0.437 16.052 1.00 0.00 O ATOM 0 H GLU A 74 -2.585 -2.499 14.469 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.131 -1.060 12.079 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.914 -0.132 14.749 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.843 0.867 13.649 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.798 -0.766 13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.863 -1.571 15.190 1.00 0.00 H new ATOM 1184 N GLU A 75 0.042 -0.932 12.937 1.00 0.00 N ATOM 1185 CA GLU A 75 1.374 -0.574 12.371 1.00 0.00 C ATOM 1186 C GLU A 75 1.600 -1.299 11.042 1.00 0.00 C ATOM 1187 O GLU A 75 1.889 -0.687 10.032 1.00 0.00 O ATOM 1188 CB GLU A 75 2.386 -1.041 13.417 1.00 0.00 C ATOM 1189 CG GLU A 75 3.788 -0.585 13.009 1.00 0.00 C ATOM 1190 CD GLU A 75 4.813 -1.144 13.998 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.407 -1.840 14.912 1.00 0.00 O ATOM 1192 OE2 GLU A 75 5.989 -0.864 13.824 1.00 0.00 O ATOM 0 H GLU A 75 0.062 -1.343 13.870 1.00 0.00 H new ATOM 0 HA GLU A 75 1.462 0.493 12.166 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.129 -0.633 14.395 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.357 -2.127 13.507 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.015 -0.929 12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.838 0.504 12.993 1.00 0.00 H new ATOM 1199 N ILE A 76 1.467 -2.596 11.030 1.00 0.00 N ATOM 1200 CA ILE A 76 1.672 -3.350 9.761 1.00 0.00 C ATOM 1201 C ILE A 76 0.683 -2.858 8.702 1.00 0.00 C ATOM 1202 O ILE A 76 1.004 -2.756 7.534 1.00 0.00 O ATOM 1203 CB ILE A 76 1.399 -4.812 10.116 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.342 -5.247 11.239 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.636 -5.688 8.884 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.778 -4.862 10.876 1.00 0.00 C ATOM 0 H ILE A 76 1.226 -3.165 11.841 1.00 0.00 H new ATOM 0 HA ILE A 76 2.674 -3.216 9.353 1.00 0.00 H new ATOM 0 HB ILE A 76 0.366 -4.920 10.446 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.052 -4.772 12.176 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.270 -6.324 11.392 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.442 -6.731 9.136 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.966 -5.377 8.082 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.670 -5.581 8.555 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.451 -5.172 11.676 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.064 -5.358 9.949 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.843 -3.782 10.745 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.515 -2.539 9.106 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.522 -2.041 8.128 1.00 0.00 C ATOM 1220 C ALA A 77 -0.985 -0.789 7.432 1.00 0.00 C ATOM 1221 O ALA A 77 -1.253 -0.545 6.273 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.756 -1.705 8.966 1.00 0.00 C ATOM 0 H ALA A 77 -0.840 -2.602 10.071 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.750 -2.771 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.546 -1.330 8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.103 -2.602 9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.500 -0.943 9.702 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.229 0.006 8.139 1.00 0.00 N ATOM 1229 CA GLU A 78 0.330 1.246 7.531 1.00 0.00 C ATOM 1230 C GLU A 78 1.218 0.898 6.333 1.00 0.00 C ATOM 1231 O GLU A 78 1.200 1.569 5.322 1.00 0.00 O ATOM 1232 CB GLU A 78 1.159 1.891 8.644 1.00 0.00 C ATOM 1233 CG GLU A 78 1.710 3.233 8.159 1.00 0.00 C ATOM 1234 CD GLU A 78 2.600 3.840 9.245 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.777 3.197 10.266 1.00 0.00 O ATOM 1236 OE2 GLU A 78 3.089 4.938 9.037 1.00 0.00 O ATOM 0 H GLU A 78 0.026 -0.151 9.114 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.450 1.913 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.543 2.038 9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.978 1.232 8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.281 3.094 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.890 3.912 7.924 1.00 0.00 H new ATOM 1243 N ASP A 79 1.998 -0.144 6.438 1.00 0.00 N ATOM 1244 CA ASP A 79 2.885 -0.526 5.301 1.00 0.00 C ATOM 1245 C ASP A 79 3.023 -2.049 5.223 1.00 0.00 C ATOM 1246 O ASP A 79 2.899 -2.734 6.218 1.00 0.00 O ATOM 1247 CB ASP A 79 4.235 0.119 5.616 1.00 0.00 C ATOM 1248 CG ASP A 79 4.018 1.562 6.075 1.00 0.00 C ATOM 1249 OD1 ASP A 79 3.626 2.373 5.253 1.00 0.00 O ATOM 1250 OD2 ASP A 79 4.249 1.833 7.243 1.00 0.00 O ATOM 0 H ASP A 79 2.060 -0.746 7.259 1.00 0.00 H new ATOM 0 HA ASP A 79 2.489 -0.195 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.748 -0.448 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.874 0.099 4.733 1.00 0.00 H new ATOM 1255 N PRO A 80 3.282 -2.529 4.036 1.00 0.00 N ATOM 1256 CA PRO A 80 3.443 -3.984 3.816 1.00 0.00 C ATOM 1257 C PRO A 80 4.594 -4.531 4.661 1.00 0.00 C ATOM 1258 O PRO A 80 4.411 -5.419 5.471 1.00 0.00 O ATOM 1259 CB PRO A 80 3.765 -4.063 2.321 1.00 0.00 C ATOM 1260 CG PRO A 80 3.775 -2.635 1.739 1.00 0.00 C ATOM 1261 CD PRO A 80 3.427 -1.643 2.857 1.00 0.00 C ATOM 0 HA PRO A 80 2.569 -4.571 4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.733 -4.540 2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.024 -4.675 1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.755 -2.404 1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.055 -2.554 0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.213 -0.901 3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.508 -1.097 2.644 1.00 0.00 H new ATOM 1269 N GLY A 81 5.779 -4.017 4.481 1.00 0.00 N ATOM 1270 CA GLY A 81 6.933 -4.519 5.277 1.00 0.00 C ATOM 1271 C GLY A 81 7.439 -5.819 4.655 1.00 0.00 C ATOM 1272 O GLY A 81 7.541 -5.943 3.450 1.00 0.00 O ATOM 0 H GLY A 81 5.998 -3.273 3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.730 -3.775 5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.632 -4.689 6.311 1.00 0.00 H new ATOM 1276 N THR A 82 7.758 -6.790 5.463 1.00 0.00 N ATOM 1277 CA THR A 82 8.256 -8.080 4.911 1.00 0.00 C ATOM 1278 C THR A 82 7.078 -8.957 4.478 1.00 0.00 C ATOM 1279 O THR A 82 7.219 -9.853 3.671 1.00 0.00 O ATOM 1280 CB THR A 82 9.019 -8.734 6.061 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.113 -9.054 7.108 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.086 -7.770 6.582 1.00 0.00 C ATOM 0 H THR A 82 7.696 -6.747 6.480 1.00 0.00 H new ATOM 0 HA THR A 82 8.887 -7.939 4.033 1.00 0.00 H new ATOM 0 HB THR A 82 9.500 -9.646 5.706 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.550 -9.656 7.746 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.630 -8.238 7.403 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.781 -7.527 5.778 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.609 -6.857 6.937 1.00 0.00 H new ATOM 1290 N CYS A 83 5.913 -8.705 5.008 1.00 0.00 N ATOM 1291 CA CYS A 83 4.732 -9.527 4.623 1.00 0.00 C ATOM 1292 C CYS A 83 4.561 -9.518 3.101 1.00 0.00 C ATOM 1293 O CYS A 83 4.472 -10.552 2.468 1.00 0.00 O ATOM 1294 CB CYS A 83 3.541 -8.850 5.303 1.00 0.00 C ATOM 1295 SG CYS A 83 2.063 -9.875 5.102 1.00 0.00 S ATOM 0 H CYS A 83 5.728 -7.968 5.689 1.00 0.00 H new ATOM 0 HA CYS A 83 4.834 -10.569 4.926 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.751 -8.701 6.362 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.374 -7.864 4.869 1.00 0.00 H new ATOM 1300 N GLU A 84 4.505 -8.356 2.514 1.00 0.00 N ATOM 1301 CA GLU A 84 4.327 -8.266 1.036 1.00 0.00 C ATOM 1302 C GLU A 84 5.478 -8.954 0.293 1.00 0.00 C ATOM 1303 O GLU A 84 5.305 -9.446 -0.805 1.00 0.00 O ATOM 1304 CB GLU A 84 4.323 -6.769 0.735 1.00 0.00 C ATOM 1305 CG GLU A 84 4.014 -6.546 -0.746 1.00 0.00 C ATOM 1306 CD GLU A 84 4.154 -5.059 -1.077 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.461 -4.298 -0.175 1.00 0.00 O ATOM 1308 OE2 GLU A 84 3.950 -4.706 -2.228 1.00 0.00 O ATOM 0 H GLU A 84 4.575 -7.460 2.996 1.00 0.00 H new ATOM 0 HA GLU A 84 3.413 -8.763 0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.579 -6.265 1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.291 -6.335 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.695 -7.133 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.004 -6.887 -0.973 1.00 0.00 H new ATOM 1315 N ILE A 85 6.651 -8.990 0.866 1.00 0.00 N ATOM 1316 CA ILE A 85 7.792 -9.645 0.158 1.00 0.00 C ATOM 1317 C ILE A 85 7.970 -11.083 0.655 1.00 0.00 C ATOM 1318 O ILE A 85 8.973 -11.720 0.395 1.00 0.00 O ATOM 1319 CB ILE A 85 9.018 -8.791 0.492 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.408 -8.993 1.957 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.687 -7.315 0.257 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.445 -7.940 2.357 1.00 0.00 C ATOM 0 H ILE A 85 6.869 -8.600 1.783 1.00 0.00 H new ATOM 0 HA ILE A 85 7.630 -9.706 -0.918 1.00 0.00 H new ATOM 0 HB ILE A 85 9.849 -9.090 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.527 -8.912 2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.815 -9.994 2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.558 -6.705 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.412 -7.165 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.854 -7.023 0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.724 -8.082 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.329 -8.043 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.021 -6.944 2.227 1.00 0.00 H new ATOM 1334 N CYS A 86 7.003 -11.600 1.361 1.00 0.00 N ATOM 1335 CA CYS A 86 7.111 -12.999 1.868 1.00 0.00 C ATOM 1336 C CYS A 86 8.390 -13.176 2.690 1.00 0.00 C ATOM 1337 O CYS A 86 8.811 -14.281 2.966 1.00 0.00 O ATOM 1338 CB CYS A 86 7.158 -13.872 0.614 1.00 0.00 C ATOM 1339 SG CYS A 86 5.689 -13.558 -0.396 1.00 0.00 S ATOM 0 H CYS A 86 6.141 -11.114 1.610 1.00 0.00 H new ATOM 0 HA CYS A 86 6.279 -13.262 2.521 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.059 -13.655 0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.203 -14.925 0.892 1.00 0.00 H new ATOM 1344 N ALA A 87 9.011 -12.100 3.086 1.00 0.00 N ATOM 1345 CA ALA A 87 10.260 -12.221 3.892 1.00 0.00 C ATOM 1346 C ALA A 87 9.952 -12.894 5.232 1.00 0.00 C ATOM 1347 O ALA A 87 10.842 -13.301 5.953 1.00 0.00 O ATOM 1348 CB ALA A 87 10.738 -10.784 4.104 1.00 0.00 C ATOM 0 H ALA A 87 8.710 -11.146 2.888 1.00 0.00 H new ATOM 0 HA ALA A 87 11.018 -12.828 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.656 -10.789 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.928 -10.317 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.971 -10.220 4.635 1.00 0.00 H new ATOM 1354 N TYR A 88 8.696 -13.015 5.571 1.00 0.00 N ATOM 1355 CA TYR A 88 8.331 -13.663 6.863 1.00 0.00 C ATOM 1356 C TYR A 88 6.975 -14.364 6.742 1.00 0.00 C ATOM 1357 O TYR A 88 6.296 -14.260 5.741 1.00 0.00 O ATOM 1358 CB TYR A 88 8.254 -12.520 7.874 1.00 0.00 C ATOM 1359 CG TYR A 88 9.632 -12.244 8.427 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.131 -13.018 9.482 1.00 0.00 C ATOM 1361 CD2 TYR A 88 10.409 -11.215 7.884 1.00 0.00 C ATOM 1362 CE1 TYR A 88 11.408 -12.761 9.994 1.00 0.00 C ATOM 1363 CE2 TYR A 88 11.687 -10.958 8.395 1.00 0.00 C ATOM 1364 CZ TYR A 88 12.187 -11.732 9.450 1.00 0.00 C ATOM 1365 OH TYR A 88 13.447 -11.479 9.954 1.00 0.00 O ATOM 0 H TYR A 88 7.908 -12.693 5.009 1.00 0.00 H new ATOM 0 HA TYR A 88 9.055 -14.422 7.160 1.00 0.00 H new ATOM 0 HB2 TYR A 88 7.856 -11.624 7.397 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.571 -12.781 8.683 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.531 -13.813 9.900 1.00 0.00 H new ATOM 0 HD2 TYR A 88 10.023 -10.619 7.070 1.00 0.00 H new ATOM 0 HE1 TYR A 88 11.793 -13.356 10.809 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.287 -10.164 7.976 1.00 0.00 H new ATOM 0 HH TYR A 88 13.852 -10.734 9.463 1.00 0.00 H new ATOM 1375 N ALA A 89 6.582 -15.081 7.758 1.00 0.00 N ATOM 1376 CA ALA A 89 5.273 -15.796 7.708 1.00 0.00 C ATOM 1377 C ALA A 89 4.117 -14.813 7.926 1.00 0.00 C ATOM 1378 O ALA A 89 2.968 -15.200 7.997 1.00 0.00 O ATOM 1379 CB ALA A 89 5.337 -16.812 8.848 1.00 0.00 C ATOM 0 H ALA A 89 7.110 -15.204 8.622 1.00 0.00 H new ATOM 0 HA ALA A 89 5.100 -16.273 6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.408 -17.382 8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.174 -17.491 8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.475 -16.289 9.794 1.00 0.00 H new ATOM 1385 N ALA A 90 4.412 -13.546 8.038 1.00 0.00 N ATOM 1386 CA ALA A 90 3.327 -12.545 8.256 1.00 0.00 C ATOM 1387 C ALA A 90 2.350 -12.544 7.076 1.00 0.00 C ATOM 1388 O ALA A 90 1.167 -12.322 7.239 1.00 0.00 O ATOM 1389 CB ALA A 90 4.043 -11.199 8.353 1.00 0.00 C ATOM 0 H ALA A 90 5.355 -13.161 7.988 1.00 0.00 H new ATOM 0 HA ALA A 90 2.743 -12.766 9.149 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.311 -10.408 8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.744 -11.219 9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.586 -11.008 7.427 1.00 0.00 H new ATOM 1395 N CYS A 91 2.835 -12.783 5.888 1.00 0.00 N ATOM 1396 CA CYS A 91 1.930 -12.784 4.703 1.00 0.00 C ATOM 1397 C CYS A 91 1.690 -14.213 4.207 1.00 0.00 C ATOM 1398 O CYS A 91 2.616 -14.944 3.920 1.00 0.00 O ATOM 1399 CB CYS A 91 2.666 -11.969 3.642 1.00 0.00 C ATOM 1400 SG CYS A 91 1.742 -10.450 3.300 1.00 0.00 S ATOM 0 H CYS A 91 3.816 -12.977 5.687 1.00 0.00 H new ATOM 0 HA CYS A 91 0.951 -12.366 4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.671 -11.726 3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.775 -12.554 2.729 1.00 0.00 H new ATOM 1405 N THR A 92 0.452 -14.610 4.098 1.00 0.00 N ATOM 1406 CA THR A 92 0.150 -15.989 3.614 1.00 0.00 C ATOM 1407 C THR A 92 -0.470 -15.932 2.215 1.00 0.00 C ATOM 1408 O THR A 92 -1.101 -14.962 1.844 1.00 0.00 O ATOM 1409 CB THR A 92 -0.853 -16.553 4.621 1.00 0.00 C ATOM 1410 OG1 THR A 92 -2.104 -15.898 4.458 1.00 0.00 O ATOM 1411 CG2 THR A 92 -0.337 -16.327 6.042 1.00 0.00 C ATOM 0 H THR A 92 -0.364 -14.040 4.323 1.00 0.00 H new ATOM 0 HA THR A 92 1.045 -16.607 3.542 1.00 0.00 H new ATOM 0 HB THR A 92 -0.977 -17.622 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.749 -16.259 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.054 -16.730 6.758 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.622 -16.831 6.165 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.210 -15.259 6.218 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.300 -16.966 1.437 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.882 -16.970 0.066 1.00 0.00 C ATOM 1421 C GLY A 93 0.194 -16.575 -0.948 1.00 0.00 C ATOM 1422 O GLY A 93 0.078 -16.846 -2.127 1.00 0.00 O ATOM 0 H GLY A 93 0.217 -17.808 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.274 -17.959 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.719 -16.274 0.013 1.00 0.00 H new ATOM 1426 N CYS A 94 1.239 -15.937 -0.500 1.00 0.00 N ATOM 1427 CA CYS A 94 2.320 -15.526 -1.441 1.00 0.00 C ATOM 1428 C CYS A 94 3.041 -16.761 -1.987 1.00 0.00 C ATOM 1429 O CYS A 94 3.199 -17.711 -1.239 1.00 0.00 O ATOM 1430 CB CYS A 94 3.273 -14.676 -0.600 1.00 0.00 C ATOM 1431 SG CYS A 94 4.268 -13.628 -1.690 1.00 0.00 S ATOM 1432 OXT CYS A 94 3.424 -16.734 -3.145 1.00 0.00 O ATOM 0 H CYS A 94 1.392 -15.682 0.476 1.00 0.00 H new ATOM 0 HA CYS A 94 1.935 -14.977 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.707 -14.059 0.098 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.921 -15.319 -0.004 1.00 0.00 H new