USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 768 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 41 SER OG : rot 180:sc= -0.668 USER MOD Set 1.2: A 44 LYS NZ :NH3+ -116:sc= 0.226 (180deg=0) USER MOD Set 2.1: A 27 GLN : amide:sc= -0.469 K(o=-5.4,f=-9.7!) USER MOD Set 2.2: A 31 GLN : amide:sc= -3.68! C(o=-5.4!,f=-7.1!) USER MOD Set 2.3: A 105 MET CE :methyl -138:sc= -1.26 (180deg=0) USER MOD Set 3.1: A 23 THR OG1 : rot 90:sc= 0.167 USER MOD Set 3.2: A 28 LYS NZ :NH3+ -124:sc= 1.16 (180deg=-0.0262) USER MOD Single : A 3 THR OG1 : rot -33:sc= 0.0523 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -7.79! C(o=-7.8!,f=-13!) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -6.22! C(o=-7!,f=-6.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 6:sc= -2.67! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -166:sc= -0.31 (180deg=-0.786) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -11.5! C(o=-12!,f=-17!) USER MOD Single : A 52 ASN : amide:sc= -0.403! C(o=-0.4!,f=-4.8!) USER MOD Single : A 54 GLN :FLIP amide:sc= -8.07! C(o=-9.1!,f=-8.1!) USER MOD Single : A 55 SER OG : rot 180:sc=-0.00176 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 164:sc=-0.000666 (180deg=-0.0653) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.445 K(o=-0.44,f=-0.95) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -2.48 X(o=-2.5,f=-2.5) USER MOD Single : A 72 SER OG : rot -53:sc= 1.11 USER MOD Single : A 78 THR OG1 : rot -141:sc= -0.325 USER MOD Single : A 80 SER OG : rot 148:sc= -2.16! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= -0.132 (180deg=-0.576) USER MOD Single : A 84 SER OG : rot -63:sc= -4.02! USER MOD Single : A 86 MET CE :methyl 166:sc= -5.65! (180deg=-5.98!) USER MOD Single : A 91 ASN :FLIP amide:sc= -4.4 F(o=-8.6!,f=-4.4) USER MOD Single : A 96 LYS NZ :NH3+ -177:sc= 0.571 (180deg=0.345) USER MOD Single : A 103 GLN :FLIP amide:sc= -5.83! C(o=-6.9!,f=-5.8!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 3 6.457 -6.467 -7.353 1.00 0.00 N ATOM 34 CA THR A 3 7.249 -7.558 -7.894 1.00 0.00 C ATOM 35 C THR A 3 8.346 -7.008 -8.789 1.00 0.00 C ATOM 36 O THR A 3 9.347 -7.678 -9.042 1.00 0.00 O ATOM 37 CB THR A 3 6.382 -8.548 -8.694 1.00 0.00 C ATOM 38 OG1 THR A 3 5.726 -7.870 -9.772 1.00 0.00 O ATOM 39 CG2 THR A 3 5.347 -9.202 -7.793 1.00 0.00 C ATOM 0 HA THR A 3 7.689 -8.095 -7.054 1.00 0.00 H new ATOM 0 HB THR A 3 7.032 -9.323 -9.100 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.521 -6.950 -9.503 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.744 -9.898 -8.377 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.851 -9.742 -6.992 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.702 -8.435 -7.364 1.00 0.00 H new ATOM 47 N ASP A 4 8.156 -5.775 -9.273 1.00 0.00 N ATOM 48 CA ASP A 4 9.170 -5.121 -10.089 1.00 0.00 C ATOM 49 C ASP A 4 10.514 -5.237 -9.377 1.00 0.00 C ATOM 50 O ASP A 4 11.499 -5.697 -9.953 1.00 0.00 O ATOM 51 CB ASP A 4 8.812 -3.651 -10.320 1.00 0.00 C ATOM 52 CG ASP A 4 9.748 -2.975 -11.306 1.00 0.00 C ATOM 53 OD1 ASP A 4 9.464 -3.024 -12.521 1.00 0.00 O ATOM 54 OD2 ASP A 4 10.762 -2.398 -10.863 1.00 0.00 O ATOM 0 H ASP A 4 7.316 -5.219 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 4 9.224 -5.606 -11.064 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.789 -3.583 -10.689 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.844 -3.118 -9.369 1.00 0.00 H new ATOM 59 N ILE A 5 10.538 -4.812 -8.110 1.00 0.00 N ATOM 60 CA ILE A 5 11.741 -4.924 -7.297 1.00 0.00 C ATOM 61 C ILE A 5 11.375 -5.454 -5.907 1.00 0.00 C ATOM 62 O ILE A 5 11.080 -4.685 -4.999 1.00 0.00 O ATOM 63 CB ILE A 5 12.403 -3.540 -7.123 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.479 -2.797 -8.459 1.00 0.00 C ATOM 65 CG2 ILE A 5 13.781 -3.674 -6.497 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.087 -1.338 -8.356 1.00 0.00 C ATOM 0 H ILE A 5 9.741 -4.391 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 5 12.431 -5.604 -7.797 1.00 0.00 H new ATOM 0 HB ILE A 5 11.781 -2.952 -6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.495 -2.867 -8.848 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.827 -3.291 -9.179 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.227 -2.686 -6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.692 -4.145 -5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.414 -4.287 -7.139 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.163 -0.871 -9.338 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.061 -1.261 -7.996 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.755 -0.830 -7.660 1.00 0.00 H new ATOM 78 N LEU A 6 11.414 -6.774 -5.761 1.00 0.00 N ATOM 79 CA LEU A 6 11.102 -7.415 -4.481 1.00 0.00 C ATOM 80 C LEU A 6 11.257 -8.929 -4.524 1.00 0.00 C ATOM 81 O LEU A 6 11.373 -9.526 -5.594 1.00 0.00 O ATOM 82 CB LEU A 6 9.688 -7.052 -4.025 1.00 0.00 C ATOM 83 CG LEU A 6 9.613 -6.301 -2.694 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.447 -4.810 -2.925 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.483 -6.844 -1.834 1.00 0.00 C ATOM 0 H LEU A 6 11.658 -7.423 -6.509 1.00 0.00 H new ATOM 0 HA LEU A 6 11.828 -7.035 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.219 -6.442 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.102 -7.968 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 6 10.551 -6.458 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.396 -4.297 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.297 -4.433 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.528 -4.628 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.447 -6.296 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.536 -6.724 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.655 -7.901 -1.633 1.00 0.00 H new ATOM 97 N SER A 7 11.257 -9.544 -3.344 1.00 0.00 N ATOM 98 CA SER A 7 11.309 -10.997 -3.234 1.00 0.00 C ATOM 99 C SER A 7 9.884 -11.530 -3.347 1.00 0.00 C ATOM 100 O SER A 7 9.031 -11.218 -2.517 1.00 0.00 O ATOM 101 CB SER A 7 11.929 -11.426 -1.905 1.00 0.00 C ATOM 102 OG SER A 7 13.213 -10.853 -1.729 1.00 0.00 O ATOM 0 H SER A 7 11.221 -9.056 -2.449 1.00 0.00 H new ATOM 0 HA SER A 7 11.933 -11.402 -4.031 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.278 -11.126 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.005 -12.513 -1.870 1.00 0.00 H new ATOM 0 HG SER A 7 13.586 -11.143 -0.870 1.00 0.00 H new ATOM 108 N ALA A 8 9.630 -12.333 -4.370 1.00 0.00 N ATOM 109 CA ALA A 8 8.293 -12.867 -4.612 1.00 0.00 C ATOM 110 C ALA A 8 7.750 -13.679 -3.439 1.00 0.00 C ATOM 111 O ALA A 8 6.612 -13.479 -3.017 1.00 0.00 O ATOM 112 CB ALA A 8 8.286 -13.705 -5.882 1.00 0.00 C ATOM 0 H ALA A 8 10.332 -12.631 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 8 7.629 -12.011 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.284 -14.098 -6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.582 -13.085 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.987 -14.533 -5.776 1.00 0.00 H new ATOM 118 N GLU A 9 8.556 -14.599 -2.917 1.00 0.00 N ATOM 119 CA GLU A 9 8.114 -15.455 -1.822 1.00 0.00 C ATOM 120 C GLU A 9 7.825 -14.646 -0.570 1.00 0.00 C ATOM 121 O GLU A 9 6.746 -14.747 0.012 1.00 0.00 O ATOM 122 CB GLU A 9 9.185 -16.499 -1.525 1.00 0.00 C ATOM 123 CG GLU A 9 9.412 -17.460 -2.670 1.00 0.00 C ATOM 124 CD GLU A 9 10.543 -18.433 -2.405 1.00 0.00 C ATOM 125 OE1 GLU A 9 10.284 -19.495 -1.801 1.00 0.00 O ATOM 126 OE2 GLU A 9 11.690 -18.134 -2.800 1.00 0.00 O ATOM 0 H GLU A 9 9.511 -14.770 -3.232 1.00 0.00 H new ATOM 0 HA GLU A 9 7.191 -15.948 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.122 -15.993 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.898 -17.063 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.495 -18.018 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.631 -16.894 -3.575 1.00 0.00 H new ATOM 133 N ASP A 10 8.797 -13.845 -0.159 1.00 0.00 N ATOM 134 CA ASP A 10 8.623 -13.002 1.010 1.00 0.00 C ATOM 135 C ASP A 10 7.369 -12.167 0.896 1.00 0.00 C ATOM 136 O ASP A 10 6.721 -11.877 1.896 1.00 0.00 O ATOM 137 CB ASP A 10 9.845 -12.109 1.201 1.00 0.00 C ATOM 138 CG ASP A 10 11.089 -12.899 1.556 1.00 0.00 C ATOM 139 OD1 ASP A 10 11.789 -13.351 0.625 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.364 -13.065 2.762 1.00 0.00 O ATOM 0 H ASP A 10 9.706 -13.762 -0.614 1.00 0.00 H new ATOM 0 HA ASP A 10 8.518 -13.646 1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.025 -11.544 0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.642 -11.383 1.989 1.00 0.00 H new ATOM 145 N ILE A 11 7.014 -11.795 -0.318 1.00 0.00 N ATOM 146 CA ILE A 11 5.819 -11.001 -0.527 1.00 0.00 C ATOM 147 C ILE A 11 4.591 -11.810 -0.113 1.00 0.00 C ATOM 148 O ILE A 11 3.741 -11.334 0.640 1.00 0.00 O ATOM 149 CB ILE A 11 5.724 -10.547 -2.009 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.501 -9.250 -2.212 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.281 -10.372 -2.481 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.658 -8.890 -3.666 1.00 0.00 C ATOM 0 H ILE A 11 7.530 -12.027 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 11 5.866 -10.103 0.090 1.00 0.00 H new ATOM 0 HB ILE A 11 6.165 -11.340 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.989 -8.439 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.487 -9.346 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.275 -10.054 -3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.750 -11.319 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.787 -9.618 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.218 -7.959 -3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.195 -9.686 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.674 -8.764 -4.118 1.00 0.00 H new ATOM 164 N ALA A 12 4.511 -13.036 -0.614 1.00 0.00 N ATOM 165 CA ALA A 12 3.383 -13.898 -0.302 1.00 0.00 C ATOM 166 C ALA A 12 3.251 -14.075 1.189 1.00 0.00 C ATOM 167 O ALA A 12 2.195 -13.837 1.740 1.00 0.00 O ATOM 168 CB ALA A 12 3.533 -15.247 -0.977 1.00 0.00 C ATOM 0 H ALA A 12 5.208 -13.451 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 12 2.478 -13.422 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.677 -15.875 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.582 -15.110 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.448 -15.727 -0.631 1.00 0.00 H new ATOM 174 N ALA A 13 4.331 -14.463 1.845 1.00 0.00 N ATOM 175 CA ALA A 13 4.294 -14.639 3.288 1.00 0.00 C ATOM 176 C ALA A 13 4.005 -13.302 3.950 1.00 0.00 C ATOM 177 O ALA A 13 3.118 -13.177 4.794 1.00 0.00 O ATOM 178 CB ALA A 13 5.606 -15.212 3.794 1.00 0.00 C ATOM 0 H ALA A 13 5.232 -14.660 1.410 1.00 0.00 H new ATOM 0 HA ALA A 13 3.503 -15.345 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.556 -15.335 4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.785 -16.180 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.421 -14.532 3.544 1.00 0.00 H new ATOM 184 N ALA A 14 4.781 -12.305 3.540 1.00 0.00 N ATOM 185 CA ALA A 14 4.629 -10.951 4.055 1.00 0.00 C ATOM 186 C ALA A 14 3.164 -10.527 4.016 1.00 0.00 C ATOM 187 O ALA A 14 2.628 -10.016 4.999 1.00 0.00 O ATOM 188 CB ALA A 14 5.472 -9.979 3.241 1.00 0.00 C ATOM 0 H ALA A 14 5.524 -12.411 2.850 1.00 0.00 H new ATOM 0 HA ALA A 14 4.971 -10.936 5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.349 -8.971 3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.521 -10.267 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.150 -10.002 2.200 1.00 0.00 H new ATOM 194 N LEU A 15 2.526 -10.744 2.876 1.00 0.00 N ATOM 195 CA LEU A 15 1.124 -10.394 2.705 1.00 0.00 C ATOM 196 C LEU A 15 0.213 -11.419 3.378 1.00 0.00 C ATOM 197 O LEU A 15 -0.609 -11.077 4.224 1.00 0.00 O ATOM 198 CB LEU A 15 0.788 -10.301 1.215 1.00 0.00 C ATOM 199 CG LEU A 15 -0.489 -9.525 0.866 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.862 -9.735 -0.597 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.649 -9.925 1.767 1.00 0.00 C ATOM 0 H LEU A 15 2.959 -11.162 2.053 1.00 0.00 H new ATOM 0 HA LEU A 15 0.956 -9.426 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.627 -9.832 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.696 -11.312 0.819 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.285 -8.467 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.770 -9.177 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.050 -9.383 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.033 -10.796 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.537 -9.356 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.850 -10.990 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.392 -9.716 2.805 1.00 0.00 H new ATOM 213 N GLN A 16 0.390 -12.680 3.003 1.00 0.00 N ATOM 214 CA GLN A 16 -0.424 -13.794 3.488 1.00 0.00 C ATOM 215 C GLN A 16 -0.246 -14.093 4.972 1.00 0.00 C ATOM 216 O GLN A 16 -0.933 -14.964 5.506 1.00 0.00 O ATOM 217 CB GLN A 16 -0.043 -15.063 2.724 1.00 0.00 C ATOM 218 CG GLN A 16 -0.433 -15.083 1.253 1.00 0.00 C ATOM 219 CD GLN A 16 -0.542 -13.718 0.605 1.00 0.00 C ATOM 220 OE1 GLN A 16 0.409 -13.237 -0.007 1.00 0.00 O ATOM 221 NE2 GLN A 16 -1.707 -13.094 0.729 1.00 0.00 N ATOM 0 H GLN A 16 1.114 -12.965 2.343 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.461 -13.497 3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.036 -15.201 2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.508 -15.917 3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.302 -15.672 0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.390 -15.595 1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.468 -13.533 1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.841 -12.175 0.306 1.00 0.00 H new ATOM 230 N GLU A 17 0.654 -13.397 5.655 1.00 0.00 N ATOM 231 CA GLU A 17 0.908 -13.732 7.045 1.00 0.00 C ATOM 232 C GLU A 17 -0.314 -13.518 7.927 1.00 0.00 C ATOM 233 O GLU A 17 -0.973 -14.478 8.328 1.00 0.00 O ATOM 234 CB GLU A 17 2.090 -12.895 7.561 1.00 0.00 C ATOM 235 CG GLU A 17 2.208 -12.822 9.075 1.00 0.00 C ATOM 236 CD GLU A 17 3.510 -12.192 9.530 1.00 0.00 C ATOM 237 OE1 GLU A 17 4.530 -12.912 9.587 1.00 0.00 O ATOM 238 OE2 GLU A 17 3.511 -10.979 9.827 1.00 0.00 O ATOM 0 H GLU A 17 1.203 -12.622 5.283 1.00 0.00 H new ATOM 0 HA GLU A 17 1.150 -14.794 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.014 -13.310 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.998 -11.882 7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.372 -12.247 9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.130 -13.827 9.490 1.00 0.00 H new ATOM 245 N CYS A 18 -0.614 -12.271 8.230 1.00 0.00 N ATOM 246 CA CYS A 18 -1.741 -11.925 9.082 1.00 0.00 C ATOM 247 C CYS A 18 -2.878 -11.254 8.327 1.00 0.00 C ATOM 248 O CYS A 18 -3.898 -10.939 8.932 1.00 0.00 O ATOM 249 CB CYS A 18 -1.260 -11.020 10.206 1.00 0.00 C ATOM 250 SG CYS A 18 -0.734 -11.900 11.694 1.00 0.00 S ATOM 0 H CYS A 18 -0.085 -11.466 7.894 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.142 -12.856 9.482 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.428 -10.417 9.841 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.062 -10.330 10.470 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.341 -11.043 12.589 1.00 0.00 H new ATOM 256 N GLN A 19 -2.736 -11.106 7.007 1.00 0.00 N ATOM 257 CA GLN A 19 -3.702 -10.334 6.217 1.00 0.00 C ATOM 258 C GLN A 19 -5.145 -10.629 6.605 1.00 0.00 C ATOM 259 O GLN A 19 -5.509 -11.760 6.923 1.00 0.00 O ATOM 260 CB GLN A 19 -3.502 -10.593 4.730 1.00 0.00 C ATOM 261 CG GLN A 19 -4.573 -9.980 3.838 1.00 0.00 C ATOM 262 CD GLN A 19 -4.511 -10.500 2.416 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.859 -9.651 1.455 1.00 0.00 O flip ATOM 264 NE2 GLN A 19 -4.143 -11.651 2.180 1.00 0.00 N flip ATOM 0 H GLN A 19 -1.969 -11.506 6.466 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.516 -9.282 6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.530 -10.201 4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.477 -11.669 4.561 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.556 -10.194 4.257 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.458 -8.896 3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.884 -12.271 2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.097 -11.984 1.217 1.00 0.00 H new ATOM 273 N ASP A 20 -5.959 -9.569 6.546 1.00 0.00 N ATOM 274 CA ASP A 20 -7.365 -9.646 6.930 1.00 0.00 C ATOM 275 C ASP A 20 -8.044 -8.325 6.638 1.00 0.00 C ATOM 276 O ASP A 20 -7.375 -7.382 6.220 1.00 0.00 O ATOM 277 CB ASP A 20 -7.463 -9.927 8.438 1.00 0.00 C ATOM 278 CG ASP A 20 -7.385 -11.405 8.767 1.00 0.00 C ATOM 279 OD1 ASP A 20 -8.399 -12.108 8.580 1.00 0.00 O ATOM 280 OD2 ASP A 20 -6.310 -11.858 9.213 1.00 0.00 O ATOM 0 H ASP A 20 -5.662 -8.645 6.234 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.849 -10.443 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.659 -9.402 8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.402 -9.524 8.818 1.00 0.00 H new ATOM 285 N PRO A 21 -9.382 -8.229 6.794 1.00 0.00 N ATOM 286 CA PRO A 21 -10.070 -6.956 6.646 1.00 0.00 C ATOM 287 C PRO A 21 -9.678 -6.124 7.842 1.00 0.00 C ATOM 288 O PRO A 21 -10.477 -5.787 8.715 1.00 0.00 O ATOM 289 CB PRO A 21 -11.543 -7.342 6.648 1.00 0.00 C ATOM 290 CG PRO A 21 -11.596 -8.607 7.418 1.00 0.00 C ATOM 291 CD PRO A 21 -10.323 -9.327 7.086 1.00 0.00 C ATOM 0 HA PRO A 21 -9.836 -6.379 5.751 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.155 -6.569 7.113 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.918 -7.479 5.634 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.670 -8.413 8.488 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.467 -9.200 7.140 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.979 -9.942 7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.447 -9.990 6.230 1.00 0.00 H new ATOM 299 N ASP A 22 -8.396 -5.815 7.815 1.00 0.00 N ATOM 300 CA ASP A 22 -7.666 -5.137 8.848 1.00 0.00 C ATOM 301 C ASP A 22 -6.234 -5.632 8.683 1.00 0.00 C ATOM 302 O ASP A 22 -5.850 -5.992 7.573 1.00 0.00 O ATOM 303 CB ASP A 22 -8.199 -5.479 10.248 1.00 0.00 C ATOM 304 CG ASP A 22 -8.180 -6.969 10.524 1.00 0.00 C ATOM 305 OD1 ASP A 22 -9.140 -7.660 10.119 1.00 0.00 O ATOM 306 OD2 ASP A 22 -7.210 -7.445 11.148 1.00 0.00 O ATOM 0 H ASP A 22 -7.807 -6.050 7.016 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.755 -4.054 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.598 -4.965 10.998 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.219 -5.107 10.347 1.00 0.00 H new ATOM 311 N THR A 23 -5.433 -5.542 9.728 1.00 0.00 N ATOM 312 CA THR A 23 -4.037 -6.015 9.711 1.00 0.00 C ATOM 313 C THR A 23 -3.225 -5.441 8.535 1.00 0.00 C ATOM 314 O THR A 23 -2.108 -5.887 8.292 1.00 0.00 O ATOM 315 CB THR A 23 -3.951 -7.544 9.659 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.586 -7.964 9.786 1.00 0.00 O ATOM 317 CG2 THR A 23 -4.524 -8.049 8.357 1.00 0.00 C ATOM 0 H THR A 23 -5.720 -5.140 10.620 1.00 0.00 H new ATOM 0 HA THR A 23 -3.605 -5.654 10.644 1.00 0.00 H new ATOM 0 HB THR A 23 -4.528 -7.958 10.486 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.371 -8.095 10.733 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.459 -9.137 8.328 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.568 -7.746 8.277 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.960 -7.630 7.524 1.00 0.00 H new ATOM 325 N PHE A 24 -3.796 -4.451 7.835 1.00 0.00 N ATOM 326 CA PHE A 24 -3.149 -3.790 6.701 1.00 0.00 C ATOM 327 C PHE A 24 -2.222 -4.719 5.908 1.00 0.00 C ATOM 328 O PHE A 24 -1.114 -5.043 6.336 1.00 0.00 O ATOM 329 CB PHE A 24 -2.367 -2.567 7.188 1.00 0.00 C ATOM 330 CG PHE A 24 -1.536 -2.780 8.421 1.00 0.00 C ATOM 331 CD1 PHE A 24 -2.126 -3.020 9.653 1.00 0.00 C ATOM 332 CD2 PHE A 24 -0.158 -2.720 8.343 1.00 0.00 C ATOM 333 CE1 PHE A 24 -1.349 -3.203 10.783 1.00 0.00 C ATOM 334 CE2 PHE A 24 0.625 -2.900 9.469 1.00 0.00 C ATOM 335 CZ PHE A 24 0.027 -3.143 10.689 1.00 0.00 C ATOM 0 H PHE A 24 -4.726 -4.087 8.044 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.944 -3.484 6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.713 -2.232 6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.073 -1.760 7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.202 -3.064 9.731 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.314 -2.530 7.390 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.818 -3.392 11.737 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.701 -2.851 9.394 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.635 -3.286 11.570 1.00 0.00 H new ATOM 345 N GLU A 25 -2.672 -5.083 4.703 1.00 0.00 N ATOM 346 CA GLU A 25 -1.951 -6.008 3.849 1.00 0.00 C ATOM 347 C GLU A 25 -0.834 -5.372 3.027 1.00 0.00 C ATOM 348 O GLU A 25 0.288 -5.876 3.007 1.00 0.00 O ATOM 349 CB GLU A 25 -2.975 -6.688 2.925 1.00 0.00 C ATOM 350 CG GLU A 25 -2.660 -6.646 1.431 1.00 0.00 C ATOM 351 CD GLU A 25 -3.776 -7.179 0.559 1.00 0.00 C ATOM 352 OE1 GLU A 25 -4.869 -6.575 0.562 1.00 0.00 O ATOM 353 OE2 GLU A 25 -3.556 -8.196 -0.129 1.00 0.00 O ATOM 0 H GLU A 25 -3.545 -4.741 4.301 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.446 -6.726 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.071 -7.731 3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.946 -6.220 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.445 -5.617 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.756 -7.225 1.243 1.00 0.00 H new ATOM 360 N PRO A 26 -1.117 -4.265 2.340 1.00 0.00 N ATOM 361 CA PRO A 26 -0.138 -3.653 1.477 1.00 0.00 C ATOM 362 C PRO A 26 1.068 -3.139 2.238 1.00 0.00 C ATOM 363 O PRO A 26 2.204 -3.406 1.876 1.00 0.00 O ATOM 364 CB PRO A 26 -0.895 -2.535 0.766 1.00 0.00 C ATOM 365 CG PRO A 26 -2.151 -2.323 1.510 1.00 0.00 C ATOM 366 CD PRO A 26 -2.382 -3.524 2.377 1.00 0.00 C ATOM 0 HA PRO A 26 0.283 -4.371 0.773 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.301 -1.621 0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.101 -2.807 -0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.087 -1.421 2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.984 -2.184 0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.639 -3.233 3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.206 -4.130 2.001 1.00 0.00 H new ATOM 374 N GLN A 27 0.823 -2.423 3.305 1.00 0.00 N ATOM 375 CA GLN A 27 1.906 -1.869 4.093 1.00 0.00 C ATOM 376 C GLN A 27 2.850 -2.957 4.599 1.00 0.00 C ATOM 377 O GLN A 27 4.069 -2.778 4.616 1.00 0.00 O ATOM 378 CB GLN A 27 1.330 -1.077 5.252 1.00 0.00 C ATOM 379 CG GLN A 27 2.018 0.249 5.481 1.00 0.00 C ATOM 380 CD GLN A 27 3.280 0.116 6.306 1.00 0.00 C ATOM 381 OE1 GLN A 27 4.371 -0.077 5.769 1.00 0.00 O ATOM 382 NE2 GLN A 27 3.137 0.216 7.621 1.00 0.00 N ATOM 0 H GLN A 27 -0.112 -2.208 3.652 1.00 0.00 H new ATOM 0 HA GLN A 27 2.493 -1.207 3.456 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.270 -0.900 5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.401 -1.675 6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.263 0.698 4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.330 0.929 5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.213 0.376 8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.951 0.133 8.230 1.00 0.00 H new ATOM 391 N LYS A 28 2.279 -4.082 5.008 1.00 0.00 N ATOM 392 CA LYS A 28 3.070 -5.199 5.516 1.00 0.00 C ATOM 393 C LYS A 28 3.729 -5.932 4.358 1.00 0.00 C ATOM 394 O LYS A 28 4.878 -6.368 4.438 1.00 0.00 O ATOM 395 CB LYS A 28 2.194 -6.140 6.322 1.00 0.00 C ATOM 396 CG LYS A 28 2.822 -6.554 7.634 1.00 0.00 C ATOM 397 CD LYS A 28 1.870 -7.377 8.484 1.00 0.00 C ATOM 398 CE LYS A 28 0.691 -6.545 8.959 1.00 0.00 C ATOM 399 NZ LYS A 28 -0.160 -7.291 9.924 1.00 0.00 N ATOM 0 H LYS A 28 1.272 -4.247 4.999 1.00 0.00 H new ATOM 0 HA LYS A 28 3.850 -4.816 6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.237 -5.657 6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.985 -7.030 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.725 -7.132 7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.126 -5.665 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.508 -8.228 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.404 -7.779 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.057 -5.631 9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.089 -6.244 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.140 -7.316 9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.197 -8.263 10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.133 -6.817 10.849 1.00 0.00 H new ATOM 413 N PHE A 29 2.967 -6.054 3.284 1.00 0.00 N ATOM 414 CA PHE A 29 3.416 -6.692 2.054 1.00 0.00 C ATOM 415 C PHE A 29 4.759 -6.116 1.640 1.00 0.00 C ATOM 416 O PHE A 29 5.667 -6.830 1.214 1.00 0.00 O ATOM 417 CB PHE A 29 2.352 -6.391 0.984 1.00 0.00 C ATOM 418 CG PHE A 29 2.599 -6.914 -0.411 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.755 -6.622 -1.125 1.00 0.00 C ATOM 420 CD2 PHE A 29 1.627 -7.682 -1.021 1.00 0.00 C ATOM 421 CE1 PHE A 29 3.922 -7.096 -2.416 1.00 0.00 C ATOM 422 CE2 PHE A 29 1.791 -8.158 -2.305 1.00 0.00 C ATOM 423 CZ PHE A 29 2.939 -7.863 -3.004 1.00 0.00 C ATOM 0 H PHE A 29 2.008 -5.709 3.239 1.00 0.00 H new ATOM 0 HA PHE A 29 3.539 -7.767 2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.401 -6.796 1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.234 -5.309 0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.529 -6.021 -0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.720 -7.915 -0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.824 -6.864 -2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.020 -8.761 -2.761 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.070 -8.231 -4.011 1.00 0.00 H new ATOM 433 N PHE A 30 4.855 -4.807 1.779 1.00 0.00 N ATOM 434 CA PHE A 30 6.039 -4.068 1.403 1.00 0.00 C ATOM 435 C PHE A 30 7.168 -4.244 2.413 1.00 0.00 C ATOM 436 O PHE A 30 8.257 -4.696 2.076 1.00 0.00 O ATOM 437 CB PHE A 30 5.690 -2.587 1.265 1.00 0.00 C ATOM 438 CG PHE A 30 4.334 -2.335 0.675 1.00 0.00 C ATOM 439 CD1 PHE A 30 3.773 -3.227 -0.223 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.611 -1.211 1.038 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.517 -2.999 -0.746 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.356 -0.977 0.513 1.00 0.00 C ATOM 443 CZ PHE A 30 1.808 -1.873 -0.380 1.00 0.00 C ATOM 0 H PHE A 30 4.108 -4.226 2.159 1.00 0.00 H new ATOM 0 HA PHE A 30 6.391 -4.461 0.449 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.741 -2.119 2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.442 -2.103 0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.323 -4.109 -0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.034 -0.509 1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.088 -3.703 -1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.805 -0.094 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.826 -1.694 -0.792 1.00 0.00 H new ATOM 453 N GLN A 31 6.860 -3.937 3.667 1.00 0.00 N ATOM 454 CA GLN A 31 7.843 -3.955 4.745 1.00 0.00 C ATOM 455 C GLN A 31 8.555 -5.284 4.915 1.00 0.00 C ATOM 456 O GLN A 31 9.758 -5.383 4.680 1.00 0.00 O ATOM 457 CB GLN A 31 7.158 -3.581 6.059 1.00 0.00 C ATOM 458 CG GLN A 31 8.078 -2.872 7.034 1.00 0.00 C ATOM 459 CD GLN A 31 8.352 -1.443 6.615 1.00 0.00 C ATOM 460 OE1 GLN A 31 7.687 -0.513 7.071 1.00 0.00 O ATOM 461 NE2 GLN A 31 9.321 -1.260 5.725 1.00 0.00 N ATOM 0 H GLN A 31 5.922 -3.669 3.966 1.00 0.00 H new ATOM 0 HA GLN A 31 8.609 -3.229 4.472 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.303 -2.940 5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.769 -4.485 6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.629 -2.879 8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.020 -3.416 7.106 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.848 -2.059 5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.538 -0.320 5.394 1.00 0.00 H new ATOM 470 N THR A 32 7.826 -6.297 5.321 1.00 0.00 N ATOM 471 CA THR A 32 8.422 -7.603 5.555 1.00 0.00 C ATOM 472 C THR A 32 9.323 -8.046 4.404 1.00 0.00 C ATOM 473 O THR A 32 10.514 -8.297 4.595 1.00 0.00 O ATOM 474 CB THR A 32 7.343 -8.677 5.785 1.00 0.00 C ATOM 475 OG1 THR A 32 6.503 -8.304 6.886 1.00 0.00 O ATOM 476 CG2 THR A 32 7.974 -10.034 6.061 1.00 0.00 C ATOM 0 H THR A 32 6.823 -6.248 5.497 1.00 0.00 H new ATOM 0 HA THR A 32 9.032 -7.498 6.452 1.00 0.00 H new ATOM 0 HB THR A 32 6.742 -8.752 4.878 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.819 -8.992 7.023 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.190 -10.774 6.220 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.586 -10.331 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.599 -9.970 6.952 1.00 0.00 H new ATOM 484 N SER A 33 8.748 -8.139 3.215 1.00 0.00 N ATOM 485 CA SER A 33 9.481 -8.599 2.040 1.00 0.00 C ATOM 486 C SER A 33 10.388 -7.550 1.399 1.00 0.00 C ATOM 487 O SER A 33 11.599 -7.747 1.292 1.00 0.00 O ATOM 488 CB SER A 33 8.511 -9.138 0.993 1.00 0.00 C ATOM 489 OG SER A 33 9.209 -9.604 -0.150 1.00 0.00 O ATOM 0 H SER A 33 7.772 -7.902 3.035 1.00 0.00 H new ATOM 0 HA SER A 33 10.141 -9.386 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.922 -9.949 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.811 -8.355 0.702 1.00 0.00 H new ATOM 0 HG SER A 33 10.174 -9.566 0.018 1.00 0.00 H new ATOM 495 N GLY A 34 9.799 -6.437 0.973 1.00 0.00 N ATOM 496 CA GLY A 34 10.580 -5.463 0.235 1.00 0.00 C ATOM 497 C GLY A 34 11.104 -4.247 0.982 1.00 0.00 C ATOM 498 O GLY A 34 12.293 -4.165 1.285 1.00 0.00 O ATOM 0 H GLY A 34 8.819 -6.196 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.435 -5.982 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.970 -5.106 -0.595 1.00 0.00 H new ATOM 502 N LEU A 35 10.198 -3.360 1.364 1.00 0.00 N ATOM 503 CA LEU A 35 10.551 -2.094 1.984 1.00 0.00 C ATOM 504 C LEU A 35 11.651 -2.240 3.032 1.00 0.00 C ATOM 505 O LEU A 35 12.461 -1.331 3.215 1.00 0.00 O ATOM 506 CB LEU A 35 9.291 -1.491 2.602 1.00 0.00 C ATOM 507 CG LEU A 35 8.497 -0.554 1.693 1.00 0.00 C ATOM 508 CD1 LEU A 35 7.403 0.156 2.474 1.00 0.00 C ATOM 509 CD2 LEU A 35 9.419 0.444 1.035 1.00 0.00 C ATOM 0 H LEU A 35 9.194 -3.499 1.252 1.00 0.00 H new ATOM 0 HA LEU A 35 10.952 -1.433 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.637 -2.304 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.574 -0.943 3.501 1.00 0.00 H new ATOM 0 HG LEU A 35 8.022 -1.150 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.851 0.818 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.722 -0.582 2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.851 0.742 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.839 1.105 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.923 1.034 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.162 -0.085 0.438 1.00 0.00 H new ATOM 521 N SER A 36 11.662 -3.374 3.722 1.00 0.00 N ATOM 522 CA SER A 36 12.659 -3.654 4.758 1.00 0.00 C ATOM 523 C SER A 36 14.036 -3.037 4.478 1.00 0.00 C ATOM 524 O SER A 36 14.698 -2.574 5.407 1.00 0.00 O ATOM 525 CB SER A 36 12.808 -5.166 4.943 1.00 0.00 C ATOM 526 OG SER A 36 13.776 -5.466 5.933 1.00 0.00 O ATOM 0 H SER A 36 10.985 -4.125 3.583 1.00 0.00 H new ATOM 0 HA SER A 36 12.287 -3.186 5.669 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.848 -5.597 5.226 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.097 -5.625 3.997 1.00 0.00 H new ATOM 0 HG SER A 36 13.851 -6.438 6.033 1.00 0.00 H new ATOM 532 N LYS A 37 14.481 -3.023 3.220 1.00 0.00 N ATOM 533 CA LYS A 37 15.802 -2.453 2.922 1.00 0.00 C ATOM 534 C LYS A 37 15.939 -1.825 1.525 1.00 0.00 C ATOM 535 O LYS A 37 16.834 -1.007 1.311 1.00 0.00 O ATOM 536 CB LYS A 37 16.868 -3.533 3.086 1.00 0.00 C ATOM 537 CG LYS A 37 16.853 -4.200 4.445 1.00 0.00 C ATOM 538 CD LYS A 37 17.884 -5.309 4.522 1.00 0.00 C ATOM 539 CE LYS A 37 17.892 -5.975 5.887 1.00 0.00 C ATOM 540 NZ LYS A 37 19.031 -6.921 6.036 1.00 0.00 N ATOM 0 H LYS A 37 13.970 -3.385 2.415 1.00 0.00 H new ATOM 0 HA LYS A 37 15.935 -1.637 3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.725 -4.292 2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.850 -3.090 2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.053 -3.459 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.861 -4.607 4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.675 -6.054 3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.873 -4.902 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.950 -5.212 6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.954 -6.510 6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.001 -7.355 6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.962 -7.664 5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.927 -6.406 5.920 1.00 0.00 H new ATOM 554 N MET A 38 15.080 -2.189 0.577 1.00 0.00 N ATOM 555 CA MET A 38 15.194 -1.642 -0.786 1.00 0.00 C ATOM 556 C MET A 38 15.397 -0.127 -0.771 1.00 0.00 C ATOM 557 O MET A 38 15.081 0.547 0.210 1.00 0.00 O ATOM 558 CB MET A 38 13.972 -1.958 -1.663 1.00 0.00 C ATOM 559 CG MET A 38 13.061 -3.050 -1.144 1.00 0.00 C ATOM 560 SD MET A 38 13.894 -4.643 -1.017 1.00 0.00 S ATOM 561 CE MET A 38 14.325 -4.909 -2.733 1.00 0.00 C ATOM 0 H MET A 38 14.311 -2.845 0.714 1.00 0.00 H new ATOM 0 HA MET A 38 16.068 -2.131 -1.217 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.386 -1.046 -1.781 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.323 -2.243 -2.655 1.00 0.00 H new ATOM 0 HG2 MET A 38 12.679 -2.764 -0.164 1.00 0.00 H new ATOM 0 HG3 MET A 38 12.200 -3.146 -1.806 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.621 -5.948 -2.877 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.464 -4.687 -3.363 1.00 0.00 H new ATOM 0 HE3 MET A 38 15.153 -4.255 -3.006 1.00 0.00 H new ATOM 571 N SER A 39 15.930 0.394 -1.874 1.00 0.00 N ATOM 572 CA SER A 39 16.174 1.823 -2.020 1.00 0.00 C ATOM 573 C SER A 39 14.862 2.584 -2.196 1.00 0.00 C ATOM 574 O SER A 39 13.828 1.987 -2.479 1.00 0.00 O ATOM 575 CB SER A 39 17.090 2.083 -3.215 1.00 0.00 C ATOM 576 OG SER A 39 18.322 1.397 -3.073 1.00 0.00 O ATOM 0 H SER A 39 16.203 -0.160 -2.686 1.00 0.00 H new ATOM 0 HA SER A 39 16.661 2.179 -1.112 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.596 1.763 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.275 3.153 -3.309 1.00 0.00 H new ATOM 0 HG SER A 39 18.889 1.579 -3.851 1.00 0.00 H new ATOM 582 N ALA A 40 14.910 3.902 -2.037 1.00 0.00 N ATOM 583 CA ALA A 40 13.713 4.730 -2.175 1.00 0.00 C ATOM 584 C ALA A 40 13.090 4.591 -3.564 1.00 0.00 C ATOM 585 O ALA A 40 11.876 4.440 -3.702 1.00 0.00 O ATOM 586 CB ALA A 40 14.027 6.189 -1.886 1.00 0.00 C ATOM 0 H ALA A 40 15.760 4.420 -1.813 1.00 0.00 H new ATOM 0 HA ALA A 40 12.988 4.375 -1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.121 6.785 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.404 6.285 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.782 6.545 -2.587 1.00 0.00 H new ATOM 592 N SER A 41 13.935 4.637 -4.590 1.00 0.00 N ATOM 593 CA SER A 41 13.479 4.551 -5.973 1.00 0.00 C ATOM 594 C SER A 41 12.540 3.373 -6.188 1.00 0.00 C ATOM 595 O SER A 41 11.391 3.547 -6.589 1.00 0.00 O ATOM 596 CB SER A 41 14.679 4.420 -6.910 1.00 0.00 C ATOM 597 OG SER A 41 14.276 4.465 -8.267 1.00 0.00 O ATOM 0 H SER A 41 14.945 4.734 -4.488 1.00 0.00 H new ATOM 0 HA SER A 41 12.930 5.466 -6.194 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.388 5.224 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.197 3.482 -6.713 1.00 0.00 H new ATOM 0 HG SER A 41 15.063 4.381 -8.845 1.00 0.00 H new ATOM 603 N GLN A 42 13.032 2.176 -5.910 1.00 0.00 N ATOM 604 CA GLN A 42 12.231 0.972 -6.091 1.00 0.00 C ATOM 605 C GLN A 42 10.891 1.110 -5.372 1.00 0.00 C ATOM 606 O GLN A 42 9.866 0.613 -5.837 1.00 0.00 O ATOM 607 CB GLN A 42 12.993 -0.253 -5.578 1.00 0.00 C ATOM 608 CG GLN A 42 12.940 -0.424 -4.075 1.00 0.00 C ATOM 609 CD GLN A 42 11.897 -1.446 -3.656 1.00 0.00 C ATOM 610 OE1 GLN A 42 11.648 -2.418 -4.362 1.00 0.00 O ATOM 611 NE2 GLN A 42 11.273 -1.224 -2.509 1.00 0.00 N ATOM 0 H GLN A 42 13.976 2.011 -5.560 1.00 0.00 H new ATOM 0 HA GLN A 42 12.037 0.839 -7.155 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.584 -1.147 -6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 42 14.035 -0.177 -5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.919 -0.735 -3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.716 0.535 -3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.509 -0.404 -1.951 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.557 -1.873 -2.184 1.00 0.00 H new ATOM 620 N VAL A 43 10.916 1.816 -4.249 1.00 0.00 N ATOM 621 CA VAL A 43 9.709 2.022 -3.467 1.00 0.00 C ATOM 622 C VAL A 43 8.674 2.746 -4.312 1.00 0.00 C ATOM 623 O VAL A 43 7.469 2.571 -4.129 1.00 0.00 O ATOM 624 CB VAL A 43 9.974 2.806 -2.173 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.723 2.832 -1.314 1.00 0.00 C ATOM 626 CG2 VAL A 43 11.137 2.186 -1.414 1.00 0.00 C ATOM 0 H VAL A 43 11.754 2.252 -3.863 1.00 0.00 H new ATOM 0 HA VAL A 43 9.335 1.041 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 43 10.238 3.833 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.921 3.390 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.914 3.313 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.434 1.812 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.316 2.750 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.898 1.153 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.032 2.211 -2.036 1.00 0.00 H new ATOM 636 N LYS A 44 9.160 3.566 -5.244 1.00 0.00 N ATOM 637 CA LYS A 44 8.282 4.283 -6.158 1.00 0.00 C ATOM 638 C LYS A 44 7.377 3.295 -6.857 1.00 0.00 C ATOM 639 O LYS A 44 6.173 3.505 -6.990 1.00 0.00 O ATOM 640 CB LYS A 44 9.100 5.021 -7.207 1.00 0.00 C ATOM 641 CG LYS A 44 10.019 6.072 -6.631 1.00 0.00 C ATOM 642 CD LYS A 44 10.868 6.738 -7.701 1.00 0.00 C ATOM 643 CE LYS A 44 11.534 5.721 -8.617 1.00 0.00 C ATOM 644 NZ LYS A 44 12.440 6.369 -9.604 1.00 0.00 N ATOM 0 H LYS A 44 10.154 3.747 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 44 7.693 5.002 -5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.694 4.298 -7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.422 5.494 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.426 6.828 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.669 5.615 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.244 7.406 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.632 7.353 -7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.101 5.009 -8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.768 5.153 -9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.078 6.207 -10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.482 7.391 -9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.393 5.962 -9.520 1.00 0.00 H new ATOM 658 N ASP A 45 7.986 2.214 -7.316 1.00 0.00 N ATOM 659 CA ASP A 45 7.262 1.167 -7.988 1.00 0.00 C ATOM 660 C ASP A 45 6.309 0.510 -7.004 1.00 0.00 C ATOM 661 O ASP A 45 5.158 0.225 -7.327 1.00 0.00 O ATOM 662 CB ASP A 45 8.235 0.141 -8.555 1.00 0.00 C ATOM 663 CG ASP A 45 8.395 0.260 -10.057 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.534 -0.270 -10.790 1.00 0.00 O ATOM 665 OD2 ASP A 45 9.381 0.884 -10.502 1.00 0.00 O ATOM 0 H ASP A 45 8.988 2.045 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 45 6.689 1.588 -8.814 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.207 0.265 -8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.885 -0.861 -8.309 1.00 0.00 H new ATOM 670 N ILE A 46 6.809 0.269 -5.794 1.00 0.00 N ATOM 671 CA ILE A 46 6.008 -0.321 -4.741 1.00 0.00 C ATOM 672 C ILE A 46 4.731 0.500 -4.555 1.00 0.00 C ATOM 673 O ILE A 46 3.626 -0.038 -4.603 1.00 0.00 O ATOM 674 CB ILE A 46 6.839 -0.414 -3.438 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.677 -1.689 -3.460 1.00 0.00 C ATOM 676 CG2 ILE A 46 5.974 -0.370 -2.185 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.473 -1.884 -4.730 1.00 0.00 C ATOM 0 H ILE A 46 7.771 0.477 -5.524 1.00 0.00 H new ATOM 0 HA ILE A 46 5.716 -1.335 -5.012 1.00 0.00 H new ATOM 0 HB ILE A 46 7.489 0.460 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.363 -1.675 -2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.018 -2.546 -3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.609 -0.439 -1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.418 0.567 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.275 -1.207 -2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.040 -2.812 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.794 -1.933 -5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.160 -1.048 -4.861 1.00 0.00 H new ATOM 689 N PHE A 47 4.902 1.803 -4.321 1.00 0.00 N ATOM 690 CA PHE A 47 3.780 2.741 -4.177 1.00 0.00 C ATOM 691 C PHE A 47 2.628 2.372 -5.111 1.00 0.00 C ATOM 692 O PHE A 47 1.454 2.451 -4.752 1.00 0.00 O ATOM 693 CB PHE A 47 4.294 4.159 -4.492 1.00 0.00 C ATOM 694 CG PHE A 47 3.280 5.116 -5.074 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.153 5.489 -4.359 1.00 0.00 C ATOM 696 CD2 PHE A 47 3.463 5.634 -6.347 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.230 6.363 -4.906 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.545 6.507 -6.895 1.00 0.00 C ATOM 699 CZ PHE A 47 1.427 6.872 -6.173 1.00 0.00 C ATOM 0 H PHE A 47 5.819 2.240 -4.226 1.00 0.00 H new ATOM 0 HA PHE A 47 3.397 2.696 -3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.689 4.593 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.128 4.075 -5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.994 5.094 -3.366 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.335 5.351 -6.917 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.355 6.647 -4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.701 6.904 -7.887 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.707 7.555 -6.599 1.00 0.00 H new ATOM 709 N ARG A 48 3.003 1.968 -6.307 1.00 0.00 N ATOM 710 CA ARG A 48 2.045 1.590 -7.339 1.00 0.00 C ATOM 711 C ARG A 48 1.077 0.508 -6.857 1.00 0.00 C ATOM 712 O ARG A 48 -0.082 0.486 -7.270 1.00 0.00 O ATOM 713 CB ARG A 48 2.779 1.119 -8.591 1.00 0.00 C ATOM 714 CG ARG A 48 3.836 2.102 -9.065 1.00 0.00 C ATOM 715 CD ARG A 48 3.246 3.484 -9.301 1.00 0.00 C ATOM 716 NE ARG A 48 2.320 3.491 -10.430 1.00 0.00 N ATOM 717 CZ ARG A 48 2.704 3.604 -11.699 1.00 0.00 C ATOM 718 NH1 ARG A 48 3.990 3.724 -12.000 1.00 0.00 N ATOM 719 NH2 ARG A 48 1.802 3.592 -12.669 1.00 0.00 N ATOM 0 H ARG A 48 3.978 1.891 -6.596 1.00 0.00 H new ATOM 0 HA ARG A 48 1.454 2.475 -7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.250 0.157 -8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.056 0.958 -9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.632 2.167 -8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.288 1.736 -9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.726 3.816 -8.402 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.050 4.196 -9.486 1.00 0.00 H new ATOM 0 HE ARG A 48 1.323 3.404 -10.235 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.689 3.730 -11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.280 3.810 -12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.812 3.496 -12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.098 3.679 -13.641 1.00 0.00 H new ATOM 733 N PHE A 49 1.545 -0.392 -5.986 1.00 0.00 N ATOM 734 CA PHE A 49 0.687 -1.463 -5.469 1.00 0.00 C ATOM 735 C PHE A 49 -0.657 -0.900 -5.026 1.00 0.00 C ATOM 736 O PHE A 49 -1.699 -1.289 -5.551 1.00 0.00 O ATOM 737 CB PHE A 49 1.360 -2.204 -4.312 1.00 0.00 C ATOM 738 CG PHE A 49 0.633 -3.461 -3.903 1.00 0.00 C ATOM 739 CD1 PHE A 49 0.873 -4.653 -4.569 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.289 -3.455 -2.861 1.00 0.00 C ATOM 741 CE1 PHE A 49 0.213 -5.812 -4.208 1.00 0.00 C ATOM 742 CE2 PHE A 49 -0.951 -4.612 -2.498 1.00 0.00 C ATOM 743 CZ PHE A 49 -0.700 -5.791 -3.171 1.00 0.00 C ATOM 0 H PHE A 49 2.500 -0.401 -5.628 1.00 0.00 H new ATOM 0 HA PHE A 49 0.522 -2.178 -6.275 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.380 -2.460 -4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.428 -1.536 -3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.585 -4.676 -5.381 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.489 -2.536 -2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.411 -6.733 -4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.665 -4.594 -1.688 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.217 -6.696 -2.887 1.00 0.00 H new ATOM 753 N ILE A 50 -0.631 0.001 -4.045 1.00 0.00 N ATOM 754 CA ILE A 50 -1.855 0.641 -3.586 1.00 0.00 C ATOM 755 C ILE A 50 -2.482 1.404 -4.762 1.00 0.00 C ATOM 756 O ILE A 50 -2.299 1.007 -5.911 1.00 0.00 O ATOM 757 CB ILE A 50 -1.602 1.568 -2.368 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.410 2.506 -2.604 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.386 0.726 -1.124 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.151 3.446 -1.441 1.00 0.00 C ATOM 0 H ILE A 50 0.215 0.299 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.551 -0.124 -3.240 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.481 2.198 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.484 1.909 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.590 3.093 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.208 1.379 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.271 0.118 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.523 0.076 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.704 4.082 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.031 4.067 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.060 2.865 -0.543 1.00 0.00 H new ATOM 772 N ASP A 51 -3.204 2.487 -4.514 1.00 0.00 N ATOM 773 CA ASP A 51 -3.824 3.216 -5.607 1.00 0.00 C ATOM 774 C ASP A 51 -2.789 3.654 -6.645 1.00 0.00 C ATOM 775 O ASP A 51 -1.727 4.175 -6.310 1.00 0.00 O ATOM 776 CB ASP A 51 -4.599 4.420 -5.072 1.00 0.00 C ATOM 777 CG ASP A 51 -5.977 4.038 -4.570 1.00 0.00 C ATOM 778 OD1 ASP A 51 -6.896 3.901 -5.403 1.00 0.00 O ATOM 779 OD2 ASP A 51 -6.135 3.875 -3.342 1.00 0.00 O ATOM 0 H ASP A 51 -3.372 2.873 -3.585 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.524 2.545 -6.104 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.035 4.882 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.696 5.167 -5.860 1.00 0.00 H new ATOM 784 N ASN A 52 -3.111 3.415 -7.910 1.00 0.00 N ATOM 785 CA ASN A 52 -2.247 3.777 -9.034 1.00 0.00 C ATOM 786 C ASN A 52 -2.533 5.206 -9.472 1.00 0.00 C ATOM 787 O ASN A 52 -2.731 5.480 -10.650 1.00 0.00 O ATOM 788 CB ASN A 52 -2.470 2.821 -10.205 1.00 0.00 C ATOM 789 CG ASN A 52 -1.418 2.954 -11.284 1.00 0.00 C ATOM 790 OD1 ASN A 52 -0.436 2.212 -11.313 1.00 0.00 O ATOM 791 ND2 ASN A 52 -1.622 3.911 -12.166 1.00 0.00 N ATOM 0 H ASN A 52 -3.982 2.963 -8.190 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.208 3.703 -8.713 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.475 1.796 -9.834 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.453 3.008 -10.638 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.949 4.064 -12.917 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.453 4.499 -12.098 1.00 0.00 H new ATOM 798 N ASP A 53 -2.597 6.109 -8.512 1.00 0.00 N ATOM 799 CA ASP A 53 -2.914 7.497 -8.792 1.00 0.00 C ATOM 800 C ASP A 53 -4.410 7.604 -8.996 1.00 0.00 C ATOM 801 O ASP A 53 -5.060 6.639 -9.399 1.00 0.00 O ATOM 802 CB ASP A 53 -2.164 8.028 -10.018 1.00 0.00 C ATOM 803 CG ASP A 53 -0.688 7.684 -9.988 1.00 0.00 C ATOM 804 OD1 ASP A 53 0.092 8.469 -9.408 1.00 0.00 O ATOM 805 OD2 ASP A 53 -0.312 6.631 -10.543 1.00 0.00 O ATOM 0 H ASP A 53 -2.433 5.905 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.595 8.110 -7.949 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.612 7.614 -10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.281 9.110 -10.071 1.00 0.00 H new ATOM 810 N GLN A 54 -4.958 8.768 -8.723 1.00 0.00 N ATOM 811 CA GLN A 54 -6.385 8.975 -8.831 1.00 0.00 C ATOM 812 C GLN A 54 -6.707 10.451 -9.035 1.00 0.00 C ATOM 813 O GLN A 54 -7.531 10.808 -9.876 1.00 0.00 O ATOM 814 CB GLN A 54 -7.061 8.466 -7.557 1.00 0.00 C ATOM 815 CG GLN A 54 -6.551 7.103 -7.102 1.00 0.00 C ATOM 816 CD GLN A 54 -7.197 6.599 -5.828 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.619 6.973 -4.692 1.00 0.00 O flip ATOM 818 NE2 GLN A 54 -8.205 5.893 -5.862 1.00 0.00 N flip ATOM 0 H GLN A 54 -4.433 9.590 -8.423 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.758 8.425 -9.695 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.903 9.190 -6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.136 8.405 -7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.724 6.378 -7.897 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.473 7.161 -6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.614 5.631 -6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.631 5.570 -4.993 1.00 0.00 H new ATOM 827 N SER A 55 -6.052 11.303 -8.258 1.00 0.00 N ATOM 828 CA SER A 55 -6.257 12.741 -8.357 1.00 0.00 C ATOM 829 C SER A 55 -4.999 13.485 -7.929 1.00 0.00 C ATOM 830 O SER A 55 -5.070 14.495 -7.230 1.00 0.00 O ATOM 831 CB SER A 55 -7.440 13.172 -7.489 1.00 0.00 C ATOM 832 OG SER A 55 -8.648 12.583 -7.943 1.00 0.00 O ATOM 0 H SER A 55 -5.373 11.022 -7.551 1.00 0.00 H new ATOM 0 HA SER A 55 -6.476 12.987 -9.396 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.259 12.885 -6.453 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.532 14.258 -7.507 1.00 0.00 H new ATOM 0 HG SER A 55 -9.389 12.873 -7.371 1.00 0.00 H new ATOM 838 N GLY A 56 -3.847 12.977 -8.356 1.00 0.00 N ATOM 839 CA GLY A 56 -2.588 13.599 -7.996 1.00 0.00 C ATOM 840 C GLY A 56 -1.954 12.941 -6.787 1.00 0.00 C ATOM 841 O GLY A 56 -0.746 13.035 -6.574 1.00 0.00 O ATOM 0 H GLY A 56 -3.764 12.147 -8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.901 13.543 -8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.752 14.656 -7.789 1.00 0.00 H new ATOM 845 N TYR A 57 -2.785 12.274 -5.998 1.00 0.00 N ATOM 846 CA TYR A 57 -2.340 11.602 -4.783 1.00 0.00 C ATOM 847 C TYR A 57 -3.392 10.599 -4.349 1.00 0.00 C ATOM 848 O TYR A 57 -4.513 10.603 -4.857 1.00 0.00 O ATOM 849 CB TYR A 57 -2.113 12.613 -3.639 1.00 0.00 C ATOM 850 CG TYR A 57 -2.299 14.053 -4.037 1.00 0.00 C ATOM 851 CD1 TYR A 57 -3.553 14.612 -3.988 1.00 0.00 C ATOM 852 CD2 TYR A 57 -1.238 14.836 -4.473 1.00 0.00 C ATOM 853 CE1 TYR A 57 -3.768 15.925 -4.361 1.00 0.00 C ATOM 854 CE2 TYR A 57 -1.435 16.152 -4.845 1.00 0.00 C ATOM 855 CZ TYR A 57 -2.704 16.692 -4.788 1.00 0.00 C ATOM 856 OH TYR A 57 -2.910 18.000 -5.160 1.00 0.00 O ATOM 0 H TYR A 57 -3.784 12.183 -6.181 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.397 11.099 -4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.800 12.382 -2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.103 12.483 -3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.387 14.014 -3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.246 14.411 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.761 16.347 -4.319 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.602 16.754 -5.178 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.058 18.400 -5.434 1.00 0.00 H new ATOM 866 N LEU A 58 -3.033 9.740 -3.413 1.00 0.00 N ATOM 867 CA LEU A 58 -3.981 8.773 -2.897 1.00 0.00 C ATOM 868 C LEU A 58 -4.489 9.309 -1.569 1.00 0.00 C ATOM 869 O LEU A 58 -3.755 10.008 -0.879 1.00 0.00 O ATOM 870 CB LEU A 58 -3.328 7.399 -2.720 1.00 0.00 C ATOM 871 CG LEU A 58 -2.356 6.984 -3.832 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.685 5.660 -3.489 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.064 6.892 -5.171 1.00 0.00 C ATOM 0 H LEU A 58 -2.102 9.692 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.805 8.637 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.793 7.390 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.115 6.648 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.587 7.752 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.999 5.382 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.131 5.764 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.444 4.886 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.351 6.596 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.861 6.151 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.490 7.863 -5.425 1.00 0.00 H new ATOM 885 N ASP A 59 -5.730 9.003 -1.204 1.00 0.00 N ATOM 886 CA ASP A 59 -6.272 9.525 0.047 1.00 0.00 C ATOM 887 C ASP A 59 -7.188 8.528 0.737 1.00 0.00 C ATOM 888 O ASP A 59 -7.779 7.656 0.101 1.00 0.00 O ATOM 889 CB ASP A 59 -7.024 10.831 -0.204 1.00 0.00 C ATOM 890 CG ASP A 59 -7.458 11.504 1.083 1.00 0.00 C ATOM 891 OD1 ASP A 59 -8.570 11.201 1.566 1.00 0.00 O ATOM 892 OD2 ASP A 59 -6.686 12.334 1.610 1.00 0.00 O ATOM 0 H ASP A 59 -6.366 8.412 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.427 9.711 0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.387 11.511 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.901 10.630 -0.819 1.00 0.00 H new ATOM 897 N GLY A 60 -7.316 8.700 2.046 1.00 0.00 N ATOM 898 CA GLY A 60 -8.095 7.792 2.875 1.00 0.00 C ATOM 899 C GLY A 60 -9.361 7.260 2.230 1.00 0.00 C ATOM 900 O GLY A 60 -9.660 6.069 2.335 1.00 0.00 O ATOM 0 H GLY A 60 -6.885 9.468 2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.465 6.947 3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.364 8.307 3.797 1.00 0.00 H new ATOM 904 N ASP A 61 -10.097 8.123 1.549 1.00 0.00 N ATOM 905 CA ASP A 61 -11.349 7.709 0.925 1.00 0.00 C ATOM 906 C ASP A 61 -11.073 6.875 -0.315 1.00 0.00 C ATOM 907 O ASP A 61 -11.719 5.859 -0.568 1.00 0.00 O ATOM 908 CB ASP A 61 -12.188 8.928 0.547 1.00 0.00 C ATOM 909 CG ASP A 61 -12.173 9.996 1.624 1.00 0.00 C ATOM 910 OD1 ASP A 61 -11.254 10.841 1.610 1.00 0.00 O ATOM 911 OD2 ASP A 61 -13.082 9.986 2.482 1.00 0.00 O ATOM 0 H ASP A 61 -9.855 9.105 1.413 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.904 7.106 1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.812 9.350 -0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.216 8.615 0.363 1.00 0.00 H new ATOM 916 N GLU A 62 -10.097 7.335 -1.076 1.00 0.00 N ATOM 917 CA GLU A 62 -9.704 6.703 -2.320 1.00 0.00 C ATOM 918 C GLU A 62 -8.871 5.439 -2.089 1.00 0.00 C ATOM 919 O GLU A 62 -8.889 4.520 -2.908 1.00 0.00 O ATOM 920 CB GLU A 62 -8.944 7.711 -3.169 1.00 0.00 C ATOM 921 CG GLU A 62 -9.658 9.044 -3.299 1.00 0.00 C ATOM 922 CD GLU A 62 -10.841 8.986 -4.243 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.647 8.601 -5.415 1.00 0.00 O ATOM 924 OE2 GLU A 62 -11.962 9.329 -3.811 1.00 0.00 O ATOM 0 H GLU A 62 -9.551 8.165 -0.845 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.604 6.385 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.959 7.875 -2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.786 7.293 -4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.999 9.366 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.953 9.796 -3.653 1.00 0.00 H new ATOM 931 N LEU A 63 -8.142 5.397 -0.973 1.00 0.00 N ATOM 932 CA LEU A 63 -7.291 4.249 -0.639 1.00 0.00 C ATOM 933 C LEU A 63 -7.981 2.924 -0.956 1.00 0.00 C ATOM 934 O LEU A 63 -7.405 2.044 -1.595 1.00 0.00 O ATOM 935 CB LEU A 63 -6.942 4.277 0.853 1.00 0.00 C ATOM 936 CG LEU A 63 -6.052 5.438 1.300 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.484 5.185 2.687 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.936 5.692 0.291 1.00 0.00 C ATOM 0 H LEU A 63 -8.122 6.147 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.387 4.324 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.869 4.312 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.445 3.341 1.110 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.670 6.335 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.855 6.025 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.301 5.076 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.888 4.272 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.318 6.522 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.321 4.797 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.371 5.938 -0.678 1.00 0.00 H new ATOM 950 N LYS A 64 -9.218 2.799 -0.501 1.00 0.00 N ATOM 951 CA LYS A 64 -10.012 1.596 -0.705 1.00 0.00 C ATOM 952 C LYS A 64 -10.263 1.286 -2.178 1.00 0.00 C ATOM 953 O LYS A 64 -10.636 0.164 -2.520 1.00 0.00 O ATOM 954 CB LYS A 64 -11.358 1.785 -0.005 1.00 0.00 C ATOM 955 CG LYS A 64 -11.932 3.185 -0.191 1.00 0.00 C ATOM 956 CD LYS A 64 -13.438 3.215 -0.024 1.00 0.00 C ATOM 957 CE LYS A 64 -13.849 2.917 1.404 1.00 0.00 C ATOM 958 NZ LYS A 64 -15.324 3.001 1.588 1.00 0.00 N ATOM 0 H LYS A 64 -9.701 3.530 0.021 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.451 0.757 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.068 1.053 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.239 1.585 1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.475 3.862 0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.671 3.554 -1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.817 4.195 -0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.893 2.485 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.505 1.920 1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.359 3.621 2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.590 2.537 2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.614 3.999 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.800 2.525 0.795 1.00 0.00 H new ATOM 972 N TYR A 65 -10.060 2.260 -3.048 1.00 0.00 N ATOM 973 CA TYR A 65 -10.294 2.044 -4.470 1.00 0.00 C ATOM 974 C TYR A 65 -9.174 1.248 -5.137 1.00 0.00 C ATOM 975 O TYR A 65 -9.401 0.624 -6.170 1.00 0.00 O ATOM 976 CB TYR A 65 -10.493 3.377 -5.194 1.00 0.00 C ATOM 977 CG TYR A 65 -11.537 4.273 -4.552 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.392 3.787 -3.568 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.662 5.605 -4.925 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.337 4.599 -2.974 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.608 6.425 -4.337 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.443 5.918 -3.363 1.00 0.00 C ATOM 983 OH TYR A 65 -14.383 6.733 -2.776 1.00 0.00 O ATOM 0 H TYR A 65 -9.738 3.196 -2.803 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.204 1.450 -4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.542 3.908 -5.226 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.782 3.180 -6.226 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.315 2.754 -3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.010 6.007 -5.686 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.989 4.204 -2.209 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.693 7.458 -4.639 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.324 7.631 -3.163 1.00 0.00 H new ATOM 993 N PHE A 66 -7.987 1.222 -4.520 1.00 0.00 N ATOM 994 CA PHE A 66 -6.831 0.524 -5.096 1.00 0.00 C ATOM 995 C PHE A 66 -7.225 -0.855 -5.630 1.00 0.00 C ATOM 996 O PHE A 66 -6.956 -1.183 -6.784 1.00 0.00 O ATOM 997 CB PHE A 66 -5.693 0.439 -4.047 1.00 0.00 C ATOM 998 CG PHE A 66 -5.264 -0.951 -3.624 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.732 -1.845 -4.541 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.407 -1.356 -2.310 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -4.350 -3.116 -4.151 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -5.029 -2.627 -1.911 1.00 0.00 C ATOM 1003 CZ PHE A 66 -4.499 -3.507 -2.835 1.00 0.00 C ATOM 0 H PHE A 66 -7.802 1.674 -3.625 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.463 1.093 -5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.822 0.958 -4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.008 0.984 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.615 -1.545 -5.572 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.820 -0.671 -1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.936 -3.802 -4.875 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.148 -2.929 -0.881 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.202 -4.499 -2.529 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.856 -1.648 -4.786 1.00 0.00 N ATOM 1014 CA LEU A 67 -8.294 -2.971 -5.197 1.00 0.00 C ATOM 1015 C LEU A 67 -9.331 -2.826 -6.294 1.00 0.00 C ATOM 1016 O LEU A 67 -9.365 -3.589 -7.254 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.917 -3.736 -4.026 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.923 -4.421 -3.084 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.657 -5.111 -1.943 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -7.066 -5.421 -3.849 1.00 0.00 C ATOM 0 H LEU A 67 -8.076 -1.404 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.427 -3.527 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.524 -3.043 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.592 -4.492 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.269 -3.659 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.934 -5.592 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.228 -4.373 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.335 -5.862 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.365 -5.899 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.706 -6.179 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.512 -4.902 -4.631 1.00 0.00 H new ATOM 1032 N GLN A 68 -10.138 -1.793 -6.154 1.00 0.00 N ATOM 1033 CA GLN A 68 -11.216 -1.518 -7.075 1.00 0.00 C ATOM 1034 C GLN A 68 -10.719 -0.929 -8.391 1.00 0.00 C ATOM 1035 O GLN A 68 -11.503 -0.719 -9.315 1.00 0.00 O ATOM 1036 CB GLN A 68 -12.223 -0.594 -6.399 1.00 0.00 C ATOM 1037 CG GLN A 68 -13.283 -1.349 -5.617 1.00 0.00 C ATOM 1038 CD GLN A 68 -14.402 -0.454 -5.123 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -14.726 0.558 -5.744 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.999 -0.829 -3.998 1.00 0.00 N ATOM 0 H GLN A 68 -10.061 -1.119 -5.393 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.700 -2.460 -7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.695 0.082 -5.727 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.707 0.023 -7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.703 -2.133 -6.248 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.816 -1.842 -4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.696 -1.676 -3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.761 -0.270 -3.614 1.00 0.00 H new ATOM 1049 N LYS A 69 -9.424 -0.644 -8.481 1.00 0.00 N ATOM 1050 CA LYS A 69 -8.865 -0.116 -9.705 1.00 0.00 C ATOM 1051 C LYS A 69 -8.590 -1.273 -10.646 1.00 0.00 C ATOM 1052 O LYS A 69 -8.989 -1.276 -11.811 1.00 0.00 O ATOM 1053 CB LYS A 69 -7.569 0.627 -9.413 1.00 0.00 C ATOM 1054 CG LYS A 69 -7.696 1.655 -8.312 1.00 0.00 C ATOM 1055 CD LYS A 69 -8.907 2.552 -8.515 1.00 0.00 C ATOM 1056 CE LYS A 69 -8.908 3.179 -9.899 1.00 0.00 C ATOM 1057 NZ LYS A 69 -10.133 3.988 -10.140 1.00 0.00 N ATOM 0 H LYS A 69 -8.752 -0.771 -7.724 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.569 0.581 -10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.800 -0.095 -9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.230 1.122 -10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.775 1.149 -7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.793 2.265 -8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.819 1.971 -8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.911 3.337 -7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.027 3.811 -10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.836 2.395 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.096 4.399 -11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.973 3.380 -10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.189 4.752 -9.436 1.00 0.00 H new ATOM 1071 N PHE A 70 -7.889 -2.255 -10.094 1.00 0.00 N ATOM 1072 CA PHE A 70 -7.505 -3.455 -10.809 1.00 0.00 C ATOM 1073 C PHE A 70 -8.571 -4.552 -10.677 1.00 0.00 C ATOM 1074 O PHE A 70 -9.029 -5.111 -11.674 1.00 0.00 O ATOM 1075 CB PHE A 70 -6.133 -3.903 -10.259 1.00 0.00 C ATOM 1076 CG PHE A 70 -6.049 -5.320 -9.740 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -5.941 -6.390 -10.613 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -6.082 -5.570 -8.376 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -5.865 -7.686 -10.135 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -6.007 -6.862 -7.893 1.00 0.00 C ATOM 1081 CZ PHE A 70 -5.898 -7.922 -8.773 1.00 0.00 C ATOM 0 H PHE A 70 -7.570 -2.236 -9.125 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.424 -3.254 -11.877 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.392 -3.784 -11.050 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.850 -3.226 -9.453 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.916 -6.211 -11.678 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.167 -4.745 -7.684 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.780 -8.513 -10.825 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.034 -7.044 -6.829 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.839 -8.933 -8.398 1.00 0.00 H new ATOM 1091 N GLN A 71 -8.953 -4.844 -9.441 1.00 0.00 N ATOM 1092 CA GLN A 71 -9.939 -5.886 -9.169 1.00 0.00 C ATOM 1093 C GLN A 71 -11.368 -5.379 -9.366 1.00 0.00 C ATOM 1094 O GLN A 71 -12.298 -6.184 -9.401 1.00 0.00 O ATOM 1095 CB GLN A 71 -9.761 -6.399 -7.739 1.00 0.00 C ATOM 1096 CG GLN A 71 -10.650 -7.577 -7.376 1.00 0.00 C ATOM 1097 CD GLN A 71 -11.341 -7.386 -6.035 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -12.456 -7.862 -5.829 1.00 0.00 O ATOM 1099 NE2 GLN A 71 -10.677 -6.691 -5.110 1.00 0.00 N ATOM 0 H GLN A 71 -8.596 -4.375 -8.609 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.776 -6.698 -9.878 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.720 -6.689 -7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.961 -5.582 -7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.402 -7.715 -8.153 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.050 -8.487 -7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.754 -6.313 -5.321 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.093 -6.538 -4.191 1.00 0.00 H new ATOM 1108 N SER A 72 -11.519 -4.056 -9.574 1.00 0.00 N ATOM 1109 CA SER A 72 -12.830 -3.396 -9.738 1.00 0.00 C ATOM 1110 C SER A 72 -13.987 -4.204 -9.152 1.00 0.00 C ATOM 1111 O SER A 72 -15.060 -4.304 -9.747 1.00 0.00 O ATOM 1112 CB SER A 72 -13.094 -3.120 -11.214 1.00 0.00 C ATOM 1113 OG SER A 72 -14.352 -2.497 -11.402 1.00 0.00 O ATOM 0 H SER A 72 -10.731 -3.412 -9.633 1.00 0.00 H new ATOM 0 HA SER A 72 -12.780 -2.461 -9.181 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.306 -2.482 -11.614 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.061 -4.055 -11.773 1.00 0.00 H new ATOM 0 HG SER A 72 -15.049 -3.028 -10.962 1.00 0.00 H new ATOM 1119 N ASP A 73 -13.740 -4.787 -7.983 1.00 0.00 N ATOM 1120 CA ASP A 73 -14.742 -5.581 -7.290 1.00 0.00 C ATOM 1121 C ASP A 73 -14.408 -5.719 -5.805 1.00 0.00 C ATOM 1122 O ASP A 73 -14.945 -6.595 -5.126 1.00 0.00 O ATOM 1123 CB ASP A 73 -14.858 -6.965 -7.930 1.00 0.00 C ATOM 1124 CG ASP A 73 -15.959 -7.800 -7.306 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -17.118 -7.687 -7.756 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -15.661 -8.570 -6.368 1.00 0.00 O ATOM 0 H ASP A 73 -12.847 -4.722 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.698 -5.065 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.051 -6.854 -8.997 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.907 -7.489 -7.830 1.00 0.00 H new ATOM 1131 N ALA A 74 -13.523 -4.858 -5.298 1.00 0.00 N ATOM 1132 CA ALA A 74 -13.134 -4.912 -3.900 1.00 0.00 C ATOM 1133 C ALA A 74 -14.306 -4.547 -3.003 1.00 0.00 C ATOM 1134 O ALA A 74 -15.348 -4.099 -3.478 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.965 -3.971 -3.645 1.00 0.00 C ATOM 0 H ALA A 74 -13.068 -4.121 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.826 -5.931 -3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.682 -4.019 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.118 -4.267 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.258 -2.951 -3.895 1.00 0.00 H new ATOM 1141 N ARG A 75 -14.129 -4.742 -1.705 1.00 0.00 N ATOM 1142 CA ARG A 75 -15.168 -4.392 -0.746 1.00 0.00 C ATOM 1143 C ARG A 75 -14.884 -3.016 -0.138 1.00 0.00 C ATOM 1144 O ARG A 75 -15.524 -2.617 0.832 1.00 0.00 O ATOM 1145 CB ARG A 75 -15.295 -5.452 0.360 1.00 0.00 C ATOM 1146 CG ARG A 75 -14.043 -6.285 0.586 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.908 -5.458 1.169 1.00 0.00 C ATOM 1148 NE ARG A 75 -11.726 -6.273 1.431 1.00 0.00 N ATOM 1149 CZ ARG A 75 -11.663 -7.185 2.397 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -12.704 -7.384 3.193 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -10.559 -7.902 2.567 1.00 0.00 N ATOM 0 H ARG A 75 -13.284 -5.137 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.118 -4.356 -1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.558 -4.954 1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.120 -6.120 0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.273 -7.111 1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.724 -6.724 -0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.651 -4.655 0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.239 -4.988 2.095 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.905 -6.136 0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.556 -6.837 3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.654 -8.084 3.933 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.756 -7.754 1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.514 -8.601 3.309 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.905 -2.303 -0.721 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.519 -0.968 -0.267 1.00 0.00 C ATOM 1167 C GLU A 76 -12.566 -1.066 0.906 1.00 0.00 C ATOM 1168 O GLU A 76 -12.726 -0.373 1.911 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.736 -0.138 0.109 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.815 -0.152 -0.955 1.00 0.00 C ATOM 1171 CD GLU A 76 -17.140 0.388 -0.456 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.927 -0.399 0.112 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -17.392 1.599 -0.630 1.00 0.00 O ATOM 0 H GLU A 76 -13.364 -2.640 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.014 -0.467 -1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.151 -0.515 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.425 0.891 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.485 0.440 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.955 -1.173 -1.311 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.566 -1.926 0.745 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.554 -2.188 1.778 1.00 0.00 C ATOM 1182 C LEU A 77 -11.125 -2.036 3.178 1.00 0.00 C ATOM 1183 O LEU A 77 -10.455 -1.544 4.083 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.361 -1.260 1.622 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.312 -1.700 0.612 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.284 -0.606 0.446 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.643 -2.989 1.059 1.00 0.00 C ATOM 0 H LEU A 77 -11.429 -2.467 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.230 -3.220 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.726 -0.274 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.880 -1.150 2.594 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.799 -1.887 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.532 -0.920 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.772 0.301 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.805 -0.408 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.896 -3.286 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.159 -2.833 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.393 -3.775 1.152 1.00 0.00 H new ATOM 1199 N THR A 78 -12.378 -2.444 3.330 1.00 0.00 N ATOM 1200 CA THR A 78 -13.074 -2.387 4.615 1.00 0.00 C ATOM 1201 C THR A 78 -12.738 -1.113 5.391 1.00 0.00 C ATOM 1202 O THR A 78 -12.136 -0.177 4.869 1.00 0.00 O ATOM 1203 CB THR A 78 -12.742 -3.620 5.521 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.947 -3.233 6.653 1.00 0.00 O ATOM 1205 CG2 THR A 78 -12.002 -4.723 4.767 1.00 0.00 C ATOM 0 H THR A 78 -12.942 -2.823 2.570 1.00 0.00 H new ATOM 0 HA THR A 78 -14.137 -2.395 4.372 1.00 0.00 H new ATOM 0 HB THR A 78 -13.704 -4.010 5.852 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.274 -3.922 6.831 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.798 -5.553 5.444 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.618 -5.074 3.939 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.062 -4.331 4.379 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.216 -1.055 6.615 1.00 0.00 N ATOM 1214 CA GLU A 79 -12.905 0.037 7.486 1.00 0.00 C ATOM 1215 C GLU A 79 -11.444 -0.080 7.925 1.00 0.00 C ATOM 1216 O GLU A 79 -10.679 0.883 7.892 1.00 0.00 O ATOM 1217 CB GLU A 79 -13.833 0.005 8.694 1.00 0.00 C ATOM 1218 CG GLU A 79 -13.654 1.193 9.602 1.00 0.00 C ATOM 1219 CD GLU A 79 -14.637 1.206 10.757 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -14.449 0.414 11.705 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -15.593 2.008 10.713 1.00 0.00 O ATOM 0 H GLU A 79 -13.826 -1.762 7.024 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.047 0.985 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.867 -0.031 8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.653 -0.909 9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.638 1.193 9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.771 2.108 9.022 1.00 0.00 H new ATOM 1228 N SER A 80 -11.087 -1.301 8.333 1.00 0.00 N ATOM 1229 CA SER A 80 -9.752 -1.627 8.838 1.00 0.00 C ATOM 1230 C SER A 80 -8.693 -1.868 7.758 1.00 0.00 C ATOM 1231 O SER A 80 -7.510 -1.621 7.992 1.00 0.00 O ATOM 1232 CB SER A 80 -9.844 -2.865 9.711 1.00 0.00 C ATOM 1233 OG SER A 80 -8.791 -2.904 10.659 1.00 0.00 O ATOM 0 H SER A 80 -11.723 -2.098 8.322 1.00 0.00 H new ATOM 0 HA SER A 80 -9.423 -0.749 9.394 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.803 -2.878 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.807 -3.757 9.086 1.00 0.00 H new ATOM 0 HG SER A 80 -9.104 -3.343 11.477 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.097 -2.349 6.582 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.114 -2.673 5.539 1.00 0.00 C ATOM 1241 C GLU A 81 -7.433 -1.412 5.008 1.00 0.00 C ATOM 1242 O GLU A 81 -6.214 -1.394 4.832 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.735 -3.488 4.404 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.890 -4.674 3.973 1.00 0.00 C ATOM 1245 CD GLU A 81 -8.725 -5.827 3.450 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -9.494 -5.613 2.489 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -8.603 -6.943 3.995 1.00 0.00 O ATOM 0 H GLU A 81 -10.070 -2.521 6.328 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.348 -3.296 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.715 -3.846 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.895 -2.836 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.192 -4.356 3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.294 -5.017 4.819 1.00 0.00 H new ATOM 1254 N THR A 82 -8.211 -0.354 4.748 1.00 0.00 N ATOM 1255 CA THR A 82 -7.640 0.906 4.288 1.00 0.00 C ATOM 1256 C THR A 82 -6.654 1.454 5.315 1.00 0.00 C ATOM 1257 O THR A 82 -5.858 2.343 5.008 1.00 0.00 O ATOM 1258 CB THR A 82 -8.721 1.968 4.041 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.531 2.131 5.212 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.594 1.595 2.857 1.00 0.00 C ATOM 0 H THR A 82 -9.226 -0.350 4.849 1.00 0.00 H new ATOM 0 HA THR A 82 -7.130 0.694 3.348 1.00 0.00 H new ATOM 0 HB THR A 82 -8.222 2.910 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.216 2.811 5.044 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.350 2.365 2.706 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.977 1.511 1.962 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.082 0.640 3.051 1.00 0.00 H new ATOM 1268 N LYS A 83 -6.707 0.922 6.539 1.00 0.00 N ATOM 1269 CA LYS A 83 -5.811 1.348 7.591 1.00 0.00 C ATOM 1270 C LYS A 83 -4.380 1.196 7.112 1.00 0.00 C ATOM 1271 O LYS A 83 -3.494 1.952 7.503 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.043 0.509 8.839 1.00 0.00 C ATOM 1273 CG LYS A 83 -5.486 1.135 10.098 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.031 2.538 10.318 1.00 0.00 C ATOM 1275 CE LYS A 83 -5.614 3.093 11.671 1.00 0.00 C ATOM 1276 NZ LYS A 83 -6.049 2.213 12.792 1.00 0.00 N ATOM 0 H LYS A 83 -7.366 0.195 6.816 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.000 2.393 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.114 0.348 8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.588 -0.471 8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.734 0.510 10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.398 1.173 10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.672 3.197 9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.119 2.522 10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.530 3.206 11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.042 4.087 11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.043 2.754 13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.011 1.864 12.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.398 1.406 12.873 1.00 0.00 H new ATOM 1290 N SER A 84 -4.164 0.191 6.267 1.00 0.00 N ATOM 1291 CA SER A 84 -2.849 -0.058 5.701 1.00 0.00 C ATOM 1292 C SER A 84 -2.365 1.148 4.970 1.00 0.00 C ATOM 1293 O SER A 84 -1.344 1.743 5.302 1.00 0.00 O ATOM 1294 CB SER A 84 -2.912 -1.180 4.669 1.00 0.00 C ATOM 1295 OG SER A 84 -1.614 -1.515 4.228 1.00 0.00 O ATOM 0 H SER A 84 -4.886 -0.462 5.962 1.00 0.00 H new ATOM 0 HA SER A 84 -2.188 -0.318 6.528 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.393 -2.056 5.104 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.522 -0.869 3.821 1.00 0.00 H new ATOM 0 HG SER A 84 -1.213 -0.744 3.776 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.156 1.519 3.993 1.00 0.00 N ATOM 1302 CA LEU A 85 -2.841 2.634 3.151 1.00 0.00 C ATOM 1303 C LEU A 85 -2.723 3.901 3.990 1.00 0.00 C ATOM 1304 O LEU A 85 -1.794 4.684 3.824 1.00 0.00 O ATOM 1305 CB LEU A 85 -3.905 2.736 2.063 1.00 0.00 C ATOM 1306 CG LEU A 85 -3.722 1.740 0.916 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -3.764 0.311 1.423 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -4.773 1.956 -0.159 1.00 0.00 C ATOM 0 H LEU A 85 -4.034 1.053 3.764 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.876 2.497 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.886 2.580 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.898 3.747 1.657 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.740 1.914 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.631 -0.376 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.965 0.159 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.726 0.122 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.623 1.237 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.766 1.819 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.686 2.968 -0.555 1.00 0.00 H new ATOM 1320 N MET A 86 -3.643 4.065 4.928 1.00 0.00 N ATOM 1321 CA MET A 86 -3.624 5.215 5.824 1.00 0.00 C ATOM 1322 C MET A 86 -2.353 5.201 6.674 1.00 0.00 C ATOM 1323 O MET A 86 -1.607 6.177 6.716 1.00 0.00 O ATOM 1324 CB MET A 86 -4.852 5.203 6.741 1.00 0.00 C ATOM 1325 CG MET A 86 -6.179 5.289 6.005 1.00 0.00 C ATOM 1326 SD MET A 86 -6.792 6.981 5.854 1.00 0.00 S ATOM 1327 CE MET A 86 -5.338 7.828 5.239 1.00 0.00 C ATOM 0 H MET A 86 -4.414 3.417 5.090 1.00 0.00 H new ATOM 0 HA MET A 86 -3.643 6.121 5.218 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.838 4.290 7.337 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.780 6.039 7.437 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.065 4.859 5.010 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.919 4.685 6.530 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.621 8.812 4.864 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.615 7.942 6.046 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.892 7.247 4.432 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.127 4.074 7.348 1.00 0.00 N ATOM 1338 CA ASP A 87 -0.966 3.888 8.223 1.00 0.00 C ATOM 1339 C ASP A 87 0.338 3.719 7.440 1.00 0.00 C ATOM 1340 O ASP A 87 1.417 3.651 8.028 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.186 2.666 9.106 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.318 2.864 10.093 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.460 3.104 9.646 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -2.063 2.786 11.313 1.00 0.00 O ATOM 0 H ASP A 87 -2.743 3.262 7.304 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.869 4.788 8.829 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.402 1.801 8.478 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.268 2.444 9.650 1.00 0.00 H new ATOM 1349 N ALA A 88 0.236 3.654 6.122 1.00 0.00 N ATOM 1350 CA ALA A 88 1.403 3.464 5.268 1.00 0.00 C ATOM 1351 C ALA A 88 2.257 4.723 5.109 1.00 0.00 C ATOM 1352 O ALA A 88 3.447 4.625 4.812 1.00 0.00 O ATOM 1353 CB ALA A 88 0.959 2.938 3.927 1.00 0.00 C ATOM 0 H ALA A 88 -0.646 3.730 5.616 1.00 0.00 H new ATOM 0 HA ALA A 88 2.049 2.736 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.829 2.795 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.447 1.985 4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.280 3.653 3.462 1.00 0.00 H new ATOM 1359 N ALA A 89 1.669 5.903 5.294 1.00 0.00 N ATOM 1360 CA ALA A 89 2.433 7.140 5.160 1.00 0.00 C ATOM 1361 C ALA A 89 1.836 8.295 5.968 1.00 0.00 C ATOM 1362 O ALA A 89 2.376 8.680 7.006 1.00 0.00 O ATOM 1363 CB ALA A 89 2.559 7.532 3.685 1.00 0.00 C ATOM 0 H ALA A 89 0.685 6.028 5.533 1.00 0.00 H new ATOM 0 HA ALA A 89 3.424 6.945 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.131 8.456 3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.070 6.738 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.566 7.681 3.262 1.00 0.00 H new ATOM 1369 N ASP A 90 0.726 8.839 5.493 1.00 0.00 N ATOM 1370 CA ASP A 90 0.063 9.968 6.124 1.00 0.00 C ATOM 1371 C ASP A 90 -0.691 9.622 7.415 1.00 0.00 C ATOM 1372 O ASP A 90 -1.836 10.025 7.605 1.00 0.00 O ATOM 1373 CB ASP A 90 -0.904 10.522 5.115 1.00 0.00 C ATOM 1374 CG ASP A 90 -2.035 9.550 4.813 1.00 0.00 C ATOM 1375 OD1 ASP A 90 -2.962 9.428 5.637 1.00 0.00 O ATOM 1376 OD2 ASP A 90 -1.994 8.905 3.752 1.00 0.00 O ATOM 0 H ASP A 90 0.257 8.506 4.651 1.00 0.00 H new ATOM 0 HA ASP A 90 0.829 10.684 6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.321 11.458 5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.371 10.756 4.193 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.033 8.932 8.315 1.00 0.00 N ATOM 1382 CA ASN A 91 -0.652 8.532 9.582 1.00 0.00 C ATOM 1383 C ASN A 91 -0.535 9.647 10.609 1.00 0.00 C ATOM 1384 O ASN A 91 -1.494 9.967 11.312 1.00 0.00 O ATOM 1385 CB ASN A 91 -0.012 7.255 10.165 1.00 0.00 C ATOM 1386 CG ASN A 91 0.938 6.560 9.244 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.534 6.405 8.016 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 2.027 6.149 9.646 1.00 0.00 N flip ATOM 0 H ASN A 91 0.935 8.629 8.205 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.700 8.327 9.365 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.516 7.515 11.082 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.805 6.560 10.440 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.300 6.294 10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.656 5.663 9.007 1.00 0.00 H new ATOM 1395 N ASP A 92 0.652 10.232 10.688 1.00 0.00 N ATOM 1396 CA ASP A 92 0.904 11.294 11.650 1.00 0.00 C ATOM 1397 C ASP A 92 0.112 12.554 11.330 1.00 0.00 C ATOM 1398 O ASP A 92 -0.068 13.405 12.200 1.00 0.00 O ATOM 1399 CB ASP A 92 2.397 11.620 11.694 1.00 0.00 C ATOM 1400 CG ASP A 92 2.720 12.725 12.679 1.00 0.00 C ATOM 1401 OD1 ASP A 92 2.933 12.415 13.871 1.00 0.00 O ATOM 1402 OD2 ASP A 92 2.760 13.901 12.259 1.00 0.00 O ATOM 0 H ASP A 92 1.451 9.991 10.101 1.00 0.00 H new ATOM 0 HA ASP A 92 0.576 10.934 12.625 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.954 10.723 11.964 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.731 11.915 10.699 1.00 0.00 H new ATOM 1407 N GLY A 93 -0.367 12.690 10.098 1.00 0.00 N ATOM 1408 CA GLY A 93 -1.178 13.846 9.783 1.00 0.00 C ATOM 1409 C GLY A 93 -1.064 14.302 8.340 1.00 0.00 C ATOM 1410 O GLY A 93 -0.337 15.248 8.039 1.00 0.00 O ATOM 0 H GLY A 93 -0.212 12.037 9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.221 13.616 10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.890 14.669 10.438 1.00 0.00 H new ATOM 1414 N ASP A 94 -1.782 13.629 7.445 1.00 0.00 N ATOM 1415 CA ASP A 94 -1.770 13.997 6.034 1.00 0.00 C ATOM 1416 C ASP A 94 -2.924 13.354 5.248 1.00 0.00 C ATOM 1417 O ASP A 94 -3.428 13.950 4.295 1.00 0.00 O ATOM 1418 CB ASP A 94 -0.430 13.641 5.405 1.00 0.00 C ATOM 1419 CG ASP A 94 0.464 14.852 5.220 1.00 0.00 C ATOM 1420 OD1 ASP A 94 0.182 15.665 4.316 1.00 0.00 O ATOM 1421 OD2 ASP A 94 1.444 14.988 5.981 1.00 0.00 O ATOM 0 H ASP A 94 -2.376 12.831 7.671 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.915 15.076 5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.079 12.910 6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.600 13.168 4.438 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.351 12.142 5.635 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.462 11.493 4.943 1.00 0.00 C ATOM 1428 C GLY A 95 -4.180 10.984 3.524 1.00 0.00 C ATOM 1429 O GLY A 95 -4.949 10.166 3.017 1.00 0.00 O ATOM 0 H GLY A 95 -2.951 11.606 6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.795 10.650 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.292 12.198 4.894 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.107 11.436 2.867 1.00 0.00 N ATOM 1434 CA LYS A 96 -2.831 10.982 1.502 1.00 0.00 C ATOM 1435 C LYS A 96 -1.598 10.073 1.411 1.00 0.00 C ATOM 1436 O LYS A 96 -0.666 10.179 2.198 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.713 12.207 0.558 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.420 12.322 -0.257 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.228 12.733 0.594 1.00 0.00 C ATOM 1440 CE LYS A 96 -0.543 13.941 1.461 1.00 0.00 C ATOM 1441 NZ LYS A 96 0.672 14.457 2.154 1.00 0.00 N ATOM 0 H LYS A 96 -2.431 12.099 3.247 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.671 10.366 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.553 12.184 -0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.820 13.111 1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.209 11.365 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.561 13.051 -1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.071 11.898 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.619 12.961 -0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.972 14.730 0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.296 13.671 2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.408 15.249 2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.096 13.697 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.361 14.786 1.448 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.616 9.165 0.440 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.492 8.269 0.220 1.00 0.00 C ATOM 1457 C ILE A 97 0.027 8.404 -1.199 1.00 0.00 C ATOM 1458 O ILE A 97 -0.507 7.808 -2.116 1.00 0.00 O ATOM 1459 CB ILE A 97 -0.881 6.795 0.424 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.469 6.574 1.804 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.332 5.898 0.224 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.506 6.886 2.926 1.00 0.00 C ATOM 0 H ILE A 97 -2.396 9.032 -0.204 1.00 0.00 H new ATOM 0 HA ILE A 97 0.270 8.551 0.946 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.639 6.539 -0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.358 7.195 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.792 5.537 1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.043 4.857 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.718 6.028 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.105 6.165 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.993 6.706 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.373 6.247 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.202 7.931 2.865 1.00 0.00 H new ATOM 1474 N GLY A 98 1.079 9.171 -1.365 1.00 0.00 N ATOM 1475 CA GLY A 98 1.687 9.337 -2.664 1.00 0.00 C ATOM 1476 C GLY A 98 3.051 8.695 -2.716 1.00 0.00 C ATOM 1477 O GLY A 98 3.585 8.292 -1.694 1.00 0.00 O ATOM 0 H GLY A 98 1.533 9.691 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.046 8.896 -3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.773 10.399 -2.895 1.00 0.00 H new ATOM 1481 N ALA A 99 3.611 8.578 -3.905 1.00 0.00 N ATOM 1482 CA ALA A 99 4.930 7.977 -4.040 1.00 0.00 C ATOM 1483 C ALA A 99 5.917 8.678 -3.106 1.00 0.00 C ATOM 1484 O ALA A 99 6.666 8.030 -2.378 1.00 0.00 O ATOM 1485 CB ALA A 99 5.400 8.044 -5.481 1.00 0.00 C ATOM 0 H ALA A 99 3.185 8.884 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 99 4.873 6.926 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.388 7.590 -5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.699 7.505 -6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.452 9.085 -5.799 1.00 0.00 H new ATOM 1491 N ASP A 100 5.884 10.009 -3.123 1.00 0.00 N ATOM 1492 CA ASP A 100 6.751 10.819 -2.270 1.00 0.00 C ATOM 1493 C ASP A 100 6.466 10.551 -0.793 1.00 0.00 C ATOM 1494 O ASP A 100 7.374 10.251 -0.020 1.00 0.00 O ATOM 1495 CB ASP A 100 6.553 12.304 -2.578 1.00 0.00 C ATOM 1496 CG ASP A 100 7.543 13.184 -1.843 1.00 0.00 C ATOM 1497 OD1 ASP A 100 8.644 13.420 -2.385 1.00 0.00 O ATOM 1498 OD2 ASP A 100 7.219 13.639 -0.726 1.00 0.00 O ATOM 0 H ASP A 100 5.262 10.552 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 100 7.785 10.545 -2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.654 12.466 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.539 12.597 -2.305 1.00 0.00 H new ATOM 1503 N GLU A 101 5.197 10.665 -0.409 1.00 0.00 N ATOM 1504 CA GLU A 101 4.786 10.419 0.970 1.00 0.00 C ATOM 1505 C GLU A 101 5.144 8.993 1.349 1.00 0.00 C ATOM 1506 O GLU A 101 5.759 8.745 2.385 1.00 0.00 O ATOM 1507 CB GLU A 101 3.271 10.650 1.115 1.00 0.00 C ATOM 1508 CG GLU A 101 2.854 11.913 1.872 1.00 0.00 C ATOM 1509 CD GLU A 101 3.927 12.988 1.952 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.736 12.951 2.902 1.00 0.00 O ATOM 1511 OE2 GLU A 101 3.955 13.865 1.063 1.00 0.00 O ATOM 0 H GLU A 101 4.435 10.927 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 101 5.304 11.108 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.832 10.687 0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.839 9.787 1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.972 12.334 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.562 11.634 2.884 1.00 0.00 H new ATOM 1518 N PHE A 102 4.750 8.058 0.497 1.00 0.00 N ATOM 1519 CA PHE A 102 5.059 6.656 0.706 1.00 0.00 C ATOM 1520 C PHE A 102 6.562 6.492 0.926 1.00 0.00 C ATOM 1521 O PHE A 102 6.991 5.727 1.789 1.00 0.00 O ATOM 1522 CB PHE A 102 4.591 5.820 -0.493 1.00 0.00 C ATOM 1523 CG PHE A 102 4.740 4.340 -0.273 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.990 3.764 -0.089 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.622 3.523 -0.225 1.00 0.00 C ATOM 1526 CE1 PHE A 102 6.118 2.412 0.134 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.746 2.165 -0.006 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.998 1.610 0.175 1.00 0.00 C ATOM 0 H PHE A 102 4.213 8.249 -0.349 1.00 0.00 H new ATOM 0 HA PHE A 102 4.531 6.300 1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.545 6.047 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.162 6.110 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.873 4.385 -0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.641 3.954 -0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 102 7.097 1.979 0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.867 1.539 0.024 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.099 0.549 0.348 1.00 0.00 H new ATOM 1538 N GLN A 103 7.360 7.217 0.137 1.00 0.00 N ATOM 1539 CA GLN A 103 8.814 7.161 0.272 1.00 0.00 C ATOM 1540 C GLN A 103 9.227 7.567 1.682 1.00 0.00 C ATOM 1541 O GLN A 103 10.235 7.098 2.208 1.00 0.00 O ATOM 1542 CB GLN A 103 9.507 8.085 -0.737 1.00 0.00 C ATOM 1543 CG GLN A 103 9.348 7.664 -2.182 1.00 0.00 C ATOM 1544 CD GLN A 103 10.671 7.533 -2.904 1.00 0.00 C ATOM 1545 OE1 GLN A 103 10.708 6.669 -3.910 1.00 0.00 O flip ATOM 1546 NE2 GLN A 103 11.642 8.212 -2.572 1.00 0.00 N flip ATOM 0 H GLN A 103 7.025 7.844 -0.595 1.00 0.00 H new ATOM 0 HA GLN A 103 9.122 6.134 0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.111 9.094 -0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.570 8.130 -0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.822 6.710 -2.222 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.726 8.393 -2.702 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.566 8.864 -1.791 1.00 0.00 H new ATOM 0 HE22 GLN A 103 12.523 8.123 -3.078 1.00 0.00 H new ATOM 1555 N GLU A 104 8.432 8.448 2.287 1.00 0.00 N ATOM 1556 CA GLU A 104 8.718 8.935 3.634 1.00 0.00 C ATOM 1557 C GLU A 104 8.728 7.788 4.636 1.00 0.00 C ATOM 1558 O GLU A 104 9.589 7.724 5.514 1.00 0.00 O ATOM 1559 CB GLU A 104 7.690 9.986 4.058 1.00 0.00 C ATOM 1560 CG GLU A 104 7.542 11.129 3.068 1.00 0.00 C ATOM 1561 CD GLU A 104 8.825 11.918 2.892 1.00 0.00 C ATOM 1562 OE1 GLU A 104 9.672 11.500 2.074 1.00 0.00 O ATOM 1563 OE2 GLU A 104 8.982 12.954 3.572 1.00 0.00 O ATOM 0 H GLU A 104 7.588 8.838 1.867 1.00 0.00 H new ATOM 0 HA GLU A 104 9.707 9.394 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.722 9.503 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.977 10.392 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.230 10.731 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.752 11.799 3.407 1.00 0.00 H new ATOM 1570 N MET A 105 7.765 6.884 4.501 1.00 0.00 N ATOM 1571 CA MET A 105 7.662 5.739 5.395 1.00 0.00 C ATOM 1572 C MET A 105 8.931 4.898 5.349 1.00 0.00 C ATOM 1573 O MET A 105 9.579 4.675 6.371 1.00 0.00 O ATOM 1574 CB MET A 105 6.456 4.883 5.019 1.00 0.00 C ATOM 1575 CG MET A 105 5.966 4.005 6.155 1.00 0.00 C ATOM 1576 SD MET A 105 7.128 2.690 6.569 1.00 0.00 S ATOM 1577 CE MET A 105 6.203 1.799 7.818 1.00 0.00 C ATOM 0 H MET A 105 7.044 6.923 3.780 1.00 0.00 H new ATOM 0 HA MET A 105 7.532 6.112 6.411 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.644 5.534 4.696 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.717 4.253 4.169 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.793 4.622 7.037 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.008 3.564 5.881 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.869 1.522 8.635 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.403 2.433 8.200 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.773 0.899 7.379 1.00 0.00 H new ATOM 1587 N VAL A 106 9.281 4.433 4.156 1.00 0.00 N ATOM 1588 CA VAL A 106 10.475 3.620 3.975 1.00 0.00 C ATOM 1589 C VAL A 106 11.726 4.393 4.380 1.00 0.00 C ATOM 1590 O VAL A 106 12.734 3.803 4.769 1.00 0.00 O ATOM 1591 CB VAL A 106 10.621 3.154 2.514 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.610 4.343 1.575 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.885 2.323 2.328 1.00 0.00 C ATOM 0 H VAL A 106 8.754 4.606 3.300 1.00 0.00 H new ATOM 0 HA VAL A 106 10.366 2.745 4.616 1.00 0.00 H new ATOM 0 HB VAL A 106 9.769 2.519 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.714 3.996 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.669 4.883 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.439 5.007 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.963 2.007 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.756 2.922 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.841 1.444 2.972 1.00 0.00 H new ATOM 1603 N HIS A 107 11.651 5.715 4.287 1.00 0.00 N ATOM 1604 CA HIS A 107 12.775 6.572 4.647 1.00 0.00 C ATOM 1605 C HIS A 107 12.857 6.750 6.159 1.00 0.00 C ATOM 1606 O HIS A 107 13.923 7.038 6.704 1.00 0.00 O ATOM 1607 CB HIS A 107 12.639 7.939 3.972 1.00 0.00 C ATOM 1608 CG HIS A 107 13.845 8.811 4.137 1.00 0.00 C ATOM 1609 ND1 HIS A 107 14.031 9.642 5.222 1.00 0.00 N ATOM 1610 CD2 HIS A 107 14.930 8.981 3.345 1.00 0.00 C ATOM 1611 CE1 HIS A 107 15.178 10.286 5.089 1.00 0.00 C ATOM 1612 NE2 HIS A 107 15.743 9.901 3.960 1.00 0.00 N ATOM 0 H HIS A 107 10.824 6.218 3.965 1.00 0.00 H new ATOM 0 HA HIS A 107 13.691 6.092 4.302 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.449 7.793 2.909 1.00 0.00 H new ATOM 0 HB3 HIS A 107 11.770 8.453 4.383 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.121 8.485 2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 107 15.584 11.005 5.786 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.639 10.233 3.602 1.00 0.00 H new ATOM 1621 N SER A 108 11.724 6.578 6.833 1.00 0.00 N ATOM 1622 CA SER A 108 11.666 6.718 8.281 1.00 0.00 C ATOM 1623 C SER A 108 12.760 5.895 8.954 1.00 0.00 C ATOM 1624 O SER A 108 12.495 4.719 9.285 1.00 0.00 O ATOM 1625 CB SER A 108 10.294 6.287 8.800 1.00 0.00 C ATOM 1626 OG SER A 108 10.225 6.388 10.212 1.00 0.00 O ATOM 1627 OXT SER A 108 13.872 6.431 9.143 1.00 0.00 O ATOM 0 H SER A 108 10.833 6.341 6.397 1.00 0.00 H new ATOM 0 HA SER A 108 11.827 7.768 8.526 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.520 6.909 8.350 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.094 5.260 8.496 1.00 0.00 H new ATOM 0 HG SER A 108 9.337 6.108 10.517 1.00 0.00 H new