USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 HIS : no HD1:sc= -5.43! C(o=-5.7!,f=-8.9!) USER MOD Set 1.2: A 80 HIS : no HE2:sc= -0.24 X(o=-5.7,f=-6) USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00285) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0388 (180deg=-0.377) USER MOD Single : A 2 GLN :FLIP amide:sc= -3.96! C(o=-6.5!,f=-4!) USER MOD Single : A 3 TYR OH : rot 157:sc= -0.232 USER MOD Single : A 4 THR OG1 : rot -140:sc= -3.36! USER MOD Single : A 7 THR OG1 : rot -106:sc= 1.04 USER MOD Single : A 10 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.027) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.401 USER MOD Single : A 19 SER OG : rot 180:sc= 0.117 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0884 X(o=-0.088,f=-0.51) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 155:sc= 0 (180deg=-0.237) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.444 K(o=-0.44,f=-3.5!) USER MOD Single : A 50 HIS : no HE2:sc= -3.4! C(o=-3.4!,f=-3.9!) USER MOD Single : A 53 THR OG1 : rot 90:sc= -1.77 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.685 K(o=-0.68,f=-4.5!) USER MOD Single : A 82 HIS : no HE2:sc= 0.296 K(o=0.3,f=-4.1!) USER MOD Single : A 83 HIS : no HE2:sc= -2.58! C(o=-2.6!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.815 -19.017 -11.363 1.00 0.00 N ATOM 2 CA MET A 1 -19.328 -18.033 -10.354 1.00 0.00 C ATOM 3 C MET A 1 -17.804 -18.026 -10.350 1.00 0.00 C ATOM 4 O MET A 1 -17.176 -18.486 -9.396 1.00 0.00 O ATOM 5 CB MET A 1 -19.849 -18.425 -8.971 1.00 0.00 C ATOM 6 CG MET A 1 -21.366 -18.241 -8.926 1.00 0.00 C ATOM 7 SD MET A 1 -21.990 -18.732 -7.300 1.00 0.00 S ATOM 8 CE MET A 1 -21.711 -17.154 -6.458 1.00 0.00 C ATOM 0 H1 MET A 1 -20.800 -18.797 -11.616 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.219 -18.965 -12.214 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.766 -19.976 -10.964 1.00 0.00 H new ATOM 0 HA MET A 1 -19.692 -17.037 -10.606 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.591 -19.462 -8.754 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.375 -17.812 -8.205 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.622 -17.201 -9.126 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.838 -18.841 -9.704 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.065 -17.223 -5.429 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.646 -16.924 -6.460 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.254 -16.364 -6.977 1.00 0.00 H new ATOM 20 N GLN A 2 -17.215 -17.510 -11.421 1.00 0.00 N ATOM 21 CA GLN A 2 -15.762 -17.457 -11.529 1.00 0.00 C ATOM 22 C GLN A 2 -15.169 -16.544 -10.463 1.00 0.00 C ATOM 23 O GLN A 2 -14.188 -16.891 -9.807 1.00 0.00 O ATOM 24 CB GLN A 2 -15.365 -16.936 -12.912 1.00 0.00 C ATOM 25 CG GLN A 2 -13.854 -17.086 -13.114 1.00 0.00 C ATOM 26 CD GLN A 2 -13.104 -16.011 -12.337 1.00 0.00 C ATOM 27 OE1 GLN A 2 -13.513 -14.774 -12.394 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -12.122 -16.311 -11.658 1.00 0.00 N flip ATOM 0 H GLN A 2 -17.716 -17.125 -12.222 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.374 -18.465 -11.384 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.900 -17.488 -13.685 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.651 -15.889 -13.011 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.533 -18.074 -12.783 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.613 -17.012 -14.175 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.807 -17.280 -11.617 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.623 -15.590 -11.136 1.00 0.00 H new ATOM 37 N TYR A 3 -15.767 -15.373 -10.309 1.00 0.00 N ATOM 38 CA TYR A 3 -15.290 -14.404 -9.331 1.00 0.00 C ATOM 39 C TYR A 3 -15.756 -14.808 -7.943 1.00 0.00 C ATOM 40 O TYR A 3 -16.883 -15.271 -7.770 1.00 0.00 O ATOM 41 CB TYR A 3 -15.834 -13.012 -9.658 1.00 0.00 C ATOM 42 CG TYR A 3 -15.425 -12.628 -11.056 1.00 0.00 C ATOM 43 CD1 TYR A 3 -16.247 -12.969 -12.136 1.00 0.00 C ATOM 44 CD2 TYR A 3 -14.227 -11.941 -11.277 1.00 0.00 C ATOM 45 CE1 TYR A 3 -15.872 -12.623 -13.437 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.850 -11.596 -12.579 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.673 -11.938 -13.660 1.00 0.00 C ATOM 48 OH TYR A 3 -14.300 -11.601 -14.945 1.00 0.00 O ATOM 0 H TYR A 3 -16.580 -15.070 -10.845 1.00 0.00 H new ATOM 0 HA TYR A 3 -14.201 -14.381 -9.363 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.920 -13.005 -9.571 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.452 -12.283 -8.943 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -17.172 -13.500 -11.964 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.594 -11.677 -10.443 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -16.508 -12.884 -14.270 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.925 -11.066 -12.751 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.676 -10.846 -14.917 1.00 0.00 H new ATOM 58 N THR A 4 -14.887 -14.639 -6.949 1.00 0.00 N ATOM 59 CA THR A 4 -15.234 -15.004 -5.576 1.00 0.00 C ATOM 60 C THR A 4 -14.732 -13.944 -4.588 1.00 0.00 C ATOM 61 O THR A 4 -13.713 -13.298 -4.833 1.00 0.00 O ATOM 62 CB THR A 4 -14.613 -16.363 -5.244 1.00 0.00 C ATOM 63 OG1 THR A 4 -13.264 -16.384 -5.689 1.00 0.00 O ATOM 64 CG2 THR A 4 -15.400 -17.468 -5.952 1.00 0.00 C ATOM 0 H THR A 4 -13.949 -14.257 -7.065 1.00 0.00 H new ATOM 0 HA THR A 4 -16.319 -15.063 -5.489 1.00 0.00 H new ATOM 0 HB THR A 4 -14.645 -16.527 -4.167 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.061 -17.261 -6.076 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.959 -18.437 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.436 -17.450 -5.615 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.366 -17.306 -7.029 1.00 0.00 H new ATOM 72 N PRO A 5 -15.426 -13.749 -3.486 1.00 0.00 N ATOM 73 CA PRO A 5 -15.030 -12.737 -2.456 1.00 0.00 C ATOM 74 C PRO A 5 -13.717 -13.099 -1.760 1.00 0.00 C ATOM 75 O PRO A 5 -12.799 -12.285 -1.693 1.00 0.00 O ATOM 76 CB PRO A 5 -16.209 -12.743 -1.465 1.00 0.00 C ATOM 77 CG PRO A 5 -16.843 -14.086 -1.626 1.00 0.00 C ATOM 78 CD PRO A 5 -16.654 -14.465 -3.094 1.00 0.00 C ATOM 0 HA PRO A 5 -14.846 -11.756 -2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.865 -12.589 -0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.916 -11.944 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.375 -14.820 -0.970 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.901 -14.053 -1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.546 -15.542 -3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.507 -14.158 -3.700 1.00 0.00 H new ATOM 86 N ASP A 6 -13.641 -14.324 -1.237 1.00 0.00 N ATOM 87 CA ASP A 6 -12.440 -14.790 -0.536 1.00 0.00 C ATOM 88 C ASP A 6 -11.811 -15.975 -1.262 1.00 0.00 C ATOM 89 O ASP A 6 -12.190 -17.124 -1.041 1.00 0.00 O ATOM 90 CB ASP A 6 -12.813 -15.214 0.884 1.00 0.00 C ATOM 91 CG ASP A 6 -11.569 -15.662 1.641 1.00 0.00 C ATOM 92 OD1 ASP A 6 -10.523 -15.755 1.020 1.00 0.00 O ATOM 93 OD2 ASP A 6 -11.680 -15.907 2.831 1.00 0.00 O ATOM 0 H ASP A 6 -14.394 -15.011 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.719 -13.973 -0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.287 -14.383 1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.540 -16.026 0.850 1.00 0.00 H new ATOM 98 N THR A 7 -10.837 -15.682 -2.119 1.00 0.00 N ATOM 99 CA THR A 7 -10.135 -16.720 -2.874 1.00 0.00 C ATOM 100 C THR A 7 -8.654 -16.382 -2.977 1.00 0.00 C ATOM 101 O THR A 7 -8.277 -15.210 -3.000 1.00 0.00 O ATOM 102 CB THR A 7 -10.730 -16.844 -4.279 1.00 0.00 C ATOM 103 OG1 THR A 7 -9.876 -17.637 -5.090 1.00 0.00 O ATOM 104 CG2 THR A 7 -10.886 -15.455 -4.893 1.00 0.00 C ATOM 0 H THR A 7 -10.514 -14.733 -2.309 1.00 0.00 H new ATOM 0 HA THR A 7 -10.251 -17.669 -2.350 1.00 0.00 H new ATOM 0 HB THR A 7 -11.708 -17.320 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.402 -17.062 -5.726 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.310 -15.545 -5.893 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.549 -14.854 -4.271 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.910 -14.973 -4.954 1.00 0.00 H new ATOM 112 N ALA A 8 -7.821 -17.414 -3.059 1.00 0.00 N ATOM 113 CA ALA A 8 -6.375 -17.216 -3.185 1.00 0.00 C ATOM 114 C ALA A 8 -5.974 -17.374 -4.643 1.00 0.00 C ATOM 115 O ALA A 8 -5.882 -18.490 -5.157 1.00 0.00 O ATOM 116 CB ALA A 8 -5.631 -18.247 -2.335 1.00 0.00 C ATOM 0 H ALA A 8 -8.116 -18.390 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.116 -16.216 -2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.556 -18.093 -2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.919 -18.133 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.887 -19.251 -2.674 1.00 0.00 H new ATOM 122 N TRP A 9 -5.749 -16.245 -5.317 1.00 0.00 N ATOM 123 CA TRP A 9 -5.374 -16.261 -6.731 1.00 0.00 C ATOM 124 C TRP A 9 -3.867 -16.129 -6.878 1.00 0.00 C ATOM 125 O TRP A 9 -3.233 -15.327 -6.193 1.00 0.00 O ATOM 126 CB TRP A 9 -6.067 -15.102 -7.470 1.00 0.00 C ATOM 127 CG TRP A 9 -7.501 -15.445 -7.743 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.260 -16.292 -7.008 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.358 -14.962 -8.815 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.522 -16.355 -7.559 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.634 -15.553 -8.671 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.156 -14.076 -9.886 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.672 -15.278 -9.552 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.200 -13.794 -10.780 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.457 -14.393 -10.612 1.00 0.00 C ATOM 0 H TRP A 9 -5.819 -15.313 -4.909 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.692 -17.209 -7.165 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.011 -14.194 -6.870 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.550 -14.898 -8.407 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.930 -16.831 -6.132 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.281 -16.927 -7.187 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.192 -13.609 -10.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.637 -15.744 -9.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.035 -13.112 -11.601 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.258 -14.171 -11.301 1.00 0.00 H new ATOM 146 N LYS A 10 -3.300 -16.920 -7.785 1.00 0.00 N ATOM 147 CA LYS A 10 -1.864 -16.885 -8.030 1.00 0.00 C ATOM 148 C LYS A 10 -1.570 -15.930 -9.176 1.00 0.00 C ATOM 149 O LYS A 10 -2.316 -15.883 -10.150 1.00 0.00 O ATOM 150 CB LYS A 10 -1.345 -18.289 -8.375 1.00 0.00 C ATOM 151 CG LYS A 10 0.130 -18.416 -7.979 1.00 0.00 C ATOM 152 CD LYS A 10 0.601 -19.853 -8.198 1.00 0.00 C ATOM 153 CE LYS A 10 2.077 -19.966 -7.812 1.00 0.00 C ATOM 154 NZ LYS A 10 2.193 -20.034 -6.330 1.00 0.00 N ATOM 0 H LYS A 10 -3.812 -17.590 -8.359 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.358 -16.540 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.936 -19.042 -7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.461 -18.476 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.736 -17.730 -8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.261 -18.135 -6.934 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.003 -20.539 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.463 -20.138 -9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.516 -20.855 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.631 -19.108 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.955 -19.402 -6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.295 -19.738 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.410 -21.010 -6.043 1.00 0.00 H new ATOM 168 N ILE A 11 -0.486 -15.177 -9.051 1.00 0.00 N ATOM 169 CA ILE A 11 -0.102 -14.218 -10.082 1.00 0.00 C ATOM 170 C ILE A 11 0.887 -14.854 -11.052 1.00 0.00 C ATOM 171 O ILE A 11 1.973 -15.276 -10.653 1.00 0.00 O ATOM 172 CB ILE A 11 0.551 -12.993 -9.430 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.301 -12.511 -8.258 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.651 -11.864 -10.455 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.456 -11.432 -7.480 1.00 0.00 C ATOM 0 H ILE A 11 0.143 -15.210 -8.249 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.996 -13.915 -10.627 1.00 0.00 H new ATOM 0 HB ILE A 11 1.544 -13.269 -9.075 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.248 -12.113 -8.623 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.539 -13.347 -7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.115 -10.993 -9.993 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.257 -12.192 -11.300 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.347 -11.601 -10.805 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.155 -11.090 -6.644 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.391 -11.845 -7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.672 -10.591 -8.140 1.00 0.00 H new ATOM 187 N THR A 12 0.505 -14.922 -12.329 1.00 0.00 N ATOM 188 CA THR A 12 1.370 -15.510 -13.355 1.00 0.00 C ATOM 189 C THR A 12 2.046 -14.414 -14.177 1.00 0.00 C ATOM 190 O THR A 12 3.253 -14.458 -14.415 1.00 0.00 O ATOM 191 CB THR A 12 0.540 -16.404 -14.277 1.00 0.00 C ATOM 192 OG1 THR A 12 0.019 -17.496 -13.532 1.00 0.00 O ATOM 193 CG2 THR A 12 1.418 -16.931 -15.413 1.00 0.00 C ATOM 0 H THR A 12 -0.391 -14.580 -12.676 1.00 0.00 H new ATOM 0 HA THR A 12 2.140 -16.105 -12.864 1.00 0.00 H new ATOM 0 HB THR A 12 -0.282 -15.825 -14.698 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.515 -18.069 -14.121 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.823 -17.568 -16.068 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.815 -16.092 -15.985 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.243 -17.509 -14.997 1.00 0.00 H new ATOM 201 N GLY A 13 1.258 -13.433 -14.608 1.00 0.00 N ATOM 202 CA GLY A 13 1.787 -12.330 -15.405 1.00 0.00 C ATOM 203 C GLY A 13 0.679 -11.635 -16.181 1.00 0.00 C ATOM 204 O GLY A 13 -0.478 -12.046 -16.136 1.00 0.00 O ATOM 0 H GLY A 13 0.257 -13.379 -14.420 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.284 -11.612 -14.753 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.540 -12.706 -16.098 1.00 0.00 H new ATOM 208 N PHE A 14 1.042 -10.575 -16.895 1.00 0.00 N ATOM 209 CA PHE A 14 0.077 -9.817 -17.690 1.00 0.00 C ATOM 210 C PHE A 14 0.093 -10.295 -19.141 1.00 0.00 C ATOM 211 O PHE A 14 1.136 -10.688 -19.664 1.00 0.00 O ATOM 212 CB PHE A 14 0.410 -8.323 -17.626 1.00 0.00 C ATOM 213 CG PHE A 14 1.900 -8.143 -17.533 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.539 -8.272 -16.298 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.638 -7.839 -18.679 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.923 -8.094 -16.206 1.00 0.00 C ATOM 217 CE2 PHE A 14 4.021 -7.659 -18.590 1.00 0.00 C ATOM 218 CZ PHE A 14 4.666 -7.787 -17.353 1.00 0.00 C ATOM 0 H PHE A 14 1.997 -10.220 -16.941 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.920 -9.979 -17.281 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.027 -7.816 -18.512 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.076 -7.868 -16.763 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.965 -8.509 -15.415 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.141 -7.743 -19.633 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.418 -8.193 -15.251 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.593 -7.421 -19.475 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.735 -7.649 -17.284 1.00 0.00 H new ATOM 228 N SER A 15 -1.070 -10.257 -19.781 1.00 0.00 N ATOM 229 CA SER A 15 -1.186 -10.685 -21.168 1.00 0.00 C ATOM 230 C SER A 15 -0.652 -9.608 -22.105 1.00 0.00 C ATOM 231 O SER A 15 -0.332 -8.504 -21.673 1.00 0.00 O ATOM 232 CB SER A 15 -2.647 -10.967 -21.501 1.00 0.00 C ATOM 233 OG SER A 15 -2.760 -11.307 -22.876 1.00 0.00 O ATOM 0 H SER A 15 -1.943 -9.935 -19.362 1.00 0.00 H new ATOM 0 HA SER A 15 -0.598 -11.593 -21.301 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.022 -11.782 -20.881 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.257 -10.091 -21.280 1.00 0.00 H new ATOM 0 HG SER A 15 -3.698 -11.490 -23.092 1.00 0.00 H new ATOM 239 N ARG A 16 -0.552 -9.936 -23.387 1.00 0.00 N ATOM 240 CA ARG A 16 -0.054 -8.983 -24.372 1.00 0.00 C ATOM 241 C ARG A 16 -1.058 -7.854 -24.590 1.00 0.00 C ATOM 242 O ARG A 16 -0.680 -6.693 -24.739 1.00 0.00 O ATOM 243 CB ARG A 16 0.206 -9.698 -25.697 1.00 0.00 C ATOM 244 CG ARG A 16 1.422 -10.614 -25.550 1.00 0.00 C ATOM 245 CD ARG A 16 1.642 -11.383 -26.853 1.00 0.00 C ATOM 246 NE ARG A 16 2.800 -12.262 -26.730 1.00 0.00 N ATOM 247 CZ ARG A 16 3.177 -13.045 -27.735 1.00 0.00 C ATOM 248 NH1 ARG A 16 2.511 -13.032 -28.858 1.00 0.00 N ATOM 249 NH2 ARG A 16 4.213 -13.827 -27.600 1.00 0.00 N ATOM 0 H ARG A 16 -0.807 -10.847 -23.768 1.00 0.00 H new ATOM 0 HA ARG A 16 0.876 -8.555 -23.997 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.669 -10.280 -25.986 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.380 -8.969 -26.488 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.307 -10.025 -25.309 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.268 -11.311 -24.726 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.755 -11.970 -27.092 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.793 -10.684 -27.675 1.00 0.00 H new ATOM 0 HE ARG A 16 3.329 -12.276 -25.858 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.701 -12.421 -28.964 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.800 -13.633 -29.630 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.733 -13.837 -26.723 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.502 -14.428 -28.372 1.00 0.00 H new ATOM 263 N GLU A 17 -2.337 -8.210 -24.614 1.00 0.00 N ATOM 264 CA GLU A 17 -3.393 -7.228 -24.824 1.00 0.00 C ATOM 265 C GLU A 17 -3.480 -6.279 -23.634 1.00 0.00 C ATOM 266 O GLU A 17 -4.114 -5.227 -23.707 1.00 0.00 O ATOM 267 CB GLU A 17 -4.735 -7.939 -25.015 1.00 0.00 C ATOM 268 CG GLU A 17 -5.787 -6.933 -25.497 1.00 0.00 C ATOM 269 CD GLU A 17 -7.094 -7.649 -25.819 1.00 0.00 C ATOM 270 OE1 GLU A 17 -7.073 -8.864 -25.922 1.00 0.00 O ATOM 271 OE2 GLU A 17 -8.099 -6.970 -25.958 1.00 0.00 O ATOM 0 H GLU A 17 -2.667 -9.167 -24.491 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.159 -6.651 -25.719 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.630 -8.746 -25.740 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.054 -8.393 -24.077 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.957 -6.178 -24.729 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.423 -6.411 -26.382 1.00 0.00 H new ATOM 278 N ILE A 18 -2.838 -6.660 -22.533 1.00 0.00 N ATOM 279 CA ILE A 18 -2.855 -5.841 -21.326 1.00 0.00 C ATOM 280 C ILE A 18 -2.696 -4.363 -21.673 1.00 0.00 C ATOM 281 O ILE A 18 -2.025 -4.009 -22.642 1.00 0.00 O ATOM 282 CB ILE A 18 -1.719 -6.270 -20.394 1.00 0.00 C ATOM 283 CG1 ILE A 18 -1.844 -5.544 -19.045 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.375 -5.913 -21.040 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.126 -5.974 -18.310 1.00 0.00 C ATOM 0 H ILE A 18 -2.303 -7.525 -22.452 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.814 -5.982 -20.828 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.777 -7.346 -20.228 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.974 -5.764 -18.427 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.856 -4.466 -19.207 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.438 -6.216 -20.380 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.281 -6.432 -21.994 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.325 -4.837 -21.206 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.194 -5.448 -17.358 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.995 -5.731 -18.922 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.099 -7.049 -18.129 1.00 0.00 H new ATOM 297 N SER A 19 -3.326 -3.508 -20.877 1.00 0.00 N ATOM 298 CA SER A 19 -3.255 -2.073 -21.112 1.00 0.00 C ATOM 299 C SER A 19 -1.880 -1.532 -20.699 1.00 0.00 C ATOM 300 O SER A 19 -1.206 -2.116 -19.851 1.00 0.00 O ATOM 301 CB SER A 19 -4.371 -1.362 -20.321 1.00 0.00 C ATOM 302 OG SER A 19 -4.716 -2.148 -19.187 1.00 0.00 O ATOM 0 H SER A 19 -3.887 -3.781 -20.070 1.00 0.00 H new ATOM 0 HA SER A 19 -3.394 -1.879 -22.176 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.036 -0.374 -20.005 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.245 -1.214 -20.955 1.00 0.00 H new ATOM 0 HG SER A 19 -5.424 -1.698 -18.680 1.00 0.00 H new ATOM 308 N PRO A 20 -1.460 -0.434 -21.280 1.00 0.00 N ATOM 309 CA PRO A 20 -0.142 0.195 -20.960 1.00 0.00 C ATOM 310 C PRO A 20 -0.075 0.679 -19.509 1.00 0.00 C ATOM 311 O PRO A 20 0.992 0.690 -18.898 1.00 0.00 O ATOM 312 CB PRO A 20 -0.046 1.371 -21.954 1.00 0.00 C ATOM 313 CG PRO A 20 -1.460 1.667 -22.343 1.00 0.00 C ATOM 314 CD PRO A 20 -2.192 0.329 -22.305 1.00 0.00 C ATOM 0 HA PRO A 20 0.686 -0.507 -21.055 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.426 2.239 -21.494 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.555 1.105 -22.824 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.913 2.380 -21.655 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.507 2.110 -23.338 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.242 0.453 -22.040 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.165 -0.171 -23.273 1.00 0.00 H new ATOM 322 N ALA A 21 -1.220 1.085 -18.969 1.00 0.00 N ATOM 323 CA ALA A 21 -1.268 1.574 -17.595 1.00 0.00 C ATOM 324 C ALA A 21 -0.921 0.464 -16.603 1.00 0.00 C ATOM 325 O ALA A 21 -0.011 0.607 -15.783 1.00 0.00 O ATOM 326 CB ALA A 21 -2.667 2.117 -17.293 1.00 0.00 C ATOM 0 H ALA A 21 -2.117 1.086 -19.455 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.531 2.370 -17.488 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.702 2.482 -16.267 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.895 2.935 -17.977 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.401 1.322 -17.420 1.00 0.00 H new ATOM 332 N TYR A 22 -1.643 -0.644 -16.690 1.00 0.00 N ATOM 333 CA TYR A 22 -1.406 -1.769 -15.797 1.00 0.00 C ATOM 334 C TYR A 22 0.000 -2.322 -16.004 1.00 0.00 C ATOM 335 O TYR A 22 0.733 -2.599 -15.050 1.00 0.00 O ATOM 336 CB TYR A 22 -2.444 -2.860 -16.064 1.00 0.00 C ATOM 337 CG TYR A 22 -2.232 -4.000 -15.105 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.285 -4.983 -15.396 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.978 -4.071 -13.921 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.080 -6.042 -14.508 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.774 -5.130 -13.030 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.823 -6.116 -13.323 1.00 0.00 C ATOM 343 OH TYR A 22 -1.619 -7.161 -12.444 1.00 0.00 O ATOM 0 H TYR A 22 -2.393 -0.788 -17.366 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.496 -1.430 -14.765 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.450 -2.456 -15.949 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.359 -3.214 -17.091 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.710 -4.925 -16.308 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.710 -3.309 -13.697 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.349 -6.803 -14.735 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.349 -5.187 -12.118 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.215 -7.060 -11.672 1.00 0.00 H new ATOM 353 N ARG A 23 0.378 -2.477 -17.260 1.00 0.00 N ATOM 354 CA ARG A 23 1.694 -2.996 -17.573 1.00 0.00 C ATOM 355 C ARG A 23 2.762 -2.109 -16.945 1.00 0.00 C ATOM 356 O ARG A 23 3.763 -2.598 -16.417 1.00 0.00 O ATOM 357 CB ARG A 23 1.880 -3.059 -19.085 1.00 0.00 C ATOM 358 CG ARG A 23 3.149 -3.851 -19.407 1.00 0.00 C ATOM 359 CD ARG A 23 3.372 -3.870 -20.921 1.00 0.00 C ATOM 360 NE ARG A 23 4.486 -4.750 -21.261 1.00 0.00 N ATOM 361 CZ ARG A 23 4.859 -4.931 -22.524 1.00 0.00 C ATOM 362 NH1 ARG A 23 4.225 -4.320 -23.487 1.00 0.00 N ATOM 363 NH2 ARG A 23 5.861 -5.721 -22.802 1.00 0.00 N ATOM 0 H ARG A 23 -0.200 -2.254 -18.070 1.00 0.00 H new ATOM 0 HA ARG A 23 1.790 -4.003 -17.166 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.015 -3.532 -19.550 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.952 -2.052 -19.496 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.007 -3.400 -18.908 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.060 -4.870 -19.030 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.466 -4.209 -21.424 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.576 -2.860 -21.278 1.00 0.00 H new ATOM 0 HE ARG A 23 4.987 -5.235 -20.516 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.442 -3.703 -23.271 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.512 -4.460 -24.456 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.357 -6.199 -22.050 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.147 -5.860 -23.771 1.00 0.00 H new ATOM 377 N GLN A 24 2.535 -0.799 -16.994 1.00 0.00 N ATOM 378 CA GLN A 24 3.477 0.151 -16.415 1.00 0.00 C ATOM 379 C GLN A 24 3.563 -0.055 -14.910 1.00 0.00 C ATOM 380 O GLN A 24 4.633 0.088 -14.322 1.00 0.00 O ATOM 381 CB GLN A 24 3.033 1.593 -16.739 1.00 0.00 C ATOM 382 CG GLN A 24 3.768 2.099 -17.986 1.00 0.00 C ATOM 383 CD GLN A 24 5.183 2.535 -17.622 1.00 0.00 C ATOM 384 OE1 GLN A 24 5.378 3.274 -16.657 1.00 0.00 O ATOM 385 NE2 GLN A 24 6.184 2.122 -18.346 1.00 0.00 N ATOM 0 H GLN A 24 1.714 -0.375 -17.425 1.00 0.00 H new ATOM 0 HA GLN A 24 4.465 -0.015 -16.845 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.956 1.622 -16.904 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.244 2.246 -15.892 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.804 1.313 -18.740 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.223 2.935 -18.424 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.017 1.510 -19.145 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.134 2.411 -18.114 1.00 0.00 H new ATOM 394 N LYS A 25 2.441 -0.385 -14.288 1.00 0.00 N ATOM 395 CA LYS A 25 2.445 -0.599 -12.848 1.00 0.00 C ATOM 396 C LYS A 25 3.396 -1.735 -12.505 1.00 0.00 C ATOM 397 O LYS A 25 4.194 -1.627 -11.576 1.00 0.00 O ATOM 398 CB LYS A 25 1.035 -0.944 -12.360 1.00 0.00 C ATOM 399 CG LYS A 25 0.094 0.252 -12.566 1.00 0.00 C ATOM 400 CD LYS A 25 0.229 1.239 -11.405 1.00 0.00 C ATOM 401 CE LYS A 25 -0.731 2.406 -11.616 1.00 0.00 C ATOM 402 NZ LYS A 25 -0.593 3.352 -10.478 1.00 0.00 N ATOM 0 H LYS A 25 1.537 -0.508 -14.743 1.00 0.00 H new ATOM 0 HA LYS A 25 2.775 0.315 -12.355 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.657 -1.811 -12.902 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.064 -1.216 -11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.329 0.751 -13.506 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.937 -0.096 -12.639 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.009 0.739 -10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.254 1.604 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.510 2.912 -12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.757 2.043 -11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.243 4.153 -10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.824 2.863 -9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.385 3.704 -10.436 1.00 0.00 H new ATOM 416 N LEU A 26 3.323 -2.821 -13.271 1.00 0.00 N ATOM 417 CA LEU A 26 4.216 -3.951 -13.026 1.00 0.00 C ATOM 418 C LEU A 26 5.665 -3.539 -13.269 1.00 0.00 C ATOM 419 O LEU A 26 6.565 -3.917 -12.520 1.00 0.00 O ATOM 420 CB LEU A 26 3.844 -5.138 -13.931 1.00 0.00 C ATOM 421 CG LEU A 26 2.735 -5.983 -13.284 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.243 -6.651 -11.985 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.530 -5.087 -12.988 1.00 0.00 C ATOM 0 H LEU A 26 2.673 -2.943 -14.047 1.00 0.00 H new ATOM 0 HA LEU A 26 4.106 -4.260 -11.986 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.510 -4.772 -14.902 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.724 -5.757 -14.109 1.00 0.00 H new ATOM 0 HG LEU A 26 2.439 -6.774 -13.973 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.442 -7.244 -11.544 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.089 -7.298 -12.216 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.556 -5.882 -11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.739 -5.680 -12.529 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.828 -4.290 -12.307 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.163 -4.651 -13.918 1.00 0.00 H new ATOM 435 N LEU A 27 5.884 -2.777 -14.327 1.00 0.00 N ATOM 436 CA LEU A 27 7.224 -2.326 -14.662 1.00 0.00 C ATOM 437 C LEU A 27 7.677 -1.209 -13.728 1.00 0.00 C ATOM 438 O LEU A 27 8.871 -1.028 -13.495 1.00 0.00 O ATOM 439 CB LEU A 27 7.261 -1.841 -16.117 1.00 0.00 C ATOM 440 CG LEU A 27 8.696 -1.365 -16.478 1.00 0.00 C ATOM 441 CD1 LEU A 27 9.080 -1.851 -17.881 1.00 0.00 C ATOM 442 CD2 LEU A 27 8.772 0.170 -16.445 1.00 0.00 C ATOM 0 H LEU A 27 5.155 -2.459 -14.966 1.00 0.00 H new ATOM 0 HA LEU A 27 7.908 -3.166 -14.542 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.956 -2.646 -16.786 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.552 -1.025 -16.256 1.00 0.00 H new ATOM 0 HG LEU A 27 9.387 -1.781 -15.745 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.087 -1.511 -18.121 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.049 -2.940 -17.910 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.377 -1.448 -18.611 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.782 0.490 -16.700 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.068 0.585 -17.166 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.520 0.525 -15.446 1.00 0.00 H new ATOM 454 N SER A 28 6.716 -0.454 -13.214 1.00 0.00 N ATOM 455 CA SER A 28 7.022 0.661 -12.325 1.00 0.00 C ATOM 456 C SER A 28 7.732 0.181 -11.064 1.00 0.00 C ATOM 457 O SER A 28 8.715 0.780 -10.624 1.00 0.00 O ATOM 458 CB SER A 28 5.730 1.377 -11.937 1.00 0.00 C ATOM 459 OG SER A 28 5.992 2.273 -10.866 1.00 0.00 O ATOM 0 H SER A 28 5.722 -0.591 -13.395 1.00 0.00 H new ATOM 0 HA SER A 28 7.684 1.346 -12.854 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.332 1.922 -12.793 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.973 0.651 -11.641 1.00 0.00 H new ATOM 0 HG SER A 28 5.165 2.735 -10.616 1.00 0.00 H new ATOM 465 N LEU A 29 7.223 -0.903 -10.484 1.00 0.00 N ATOM 466 CA LEU A 29 7.798 -1.474 -9.262 1.00 0.00 C ATOM 467 C LEU A 29 8.354 -2.870 -9.541 1.00 0.00 C ATOM 468 O LEU A 29 8.120 -3.445 -10.603 1.00 0.00 O ATOM 469 CB LEU A 29 6.720 -1.546 -8.161 1.00 0.00 C ATOM 470 CG LEU A 29 5.344 -1.820 -8.783 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.382 -3.128 -9.582 1.00 0.00 C ATOM 472 CD2 LEU A 29 4.302 -1.933 -7.665 1.00 0.00 C ATOM 0 H LEU A 29 6.411 -1.407 -10.840 1.00 0.00 H new ATOM 0 HA LEU A 29 8.613 -0.834 -8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.969 -2.333 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.695 -0.609 -7.604 1.00 0.00 H new ATOM 0 HG LEU A 29 5.080 -1.002 -9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.402 -3.315 -10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.125 -3.048 -10.376 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.646 -3.952 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.322 -2.128 -8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.572 -2.751 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.270 -1.000 -7.102 1.00 0.00 H new ATOM 484 N GLY A 30 9.099 -3.405 -8.575 1.00 0.00 N ATOM 485 CA GLY A 30 9.691 -4.732 -8.712 1.00 0.00 C ATOM 486 C GLY A 30 8.727 -5.806 -8.217 1.00 0.00 C ATOM 487 O GLY A 30 9.077 -6.983 -8.147 1.00 0.00 O ATOM 0 H GLY A 30 9.306 -2.940 -7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.944 -4.917 -9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.621 -4.781 -8.145 1.00 0.00 H new ATOM 491 N MET A 31 7.511 -5.390 -7.874 1.00 0.00 N ATOM 492 CA MET A 31 6.504 -6.327 -7.385 1.00 0.00 C ATOM 493 C MET A 31 5.917 -7.113 -8.545 1.00 0.00 C ATOM 494 O MET A 31 4.787 -6.867 -8.968 1.00 0.00 O ATOM 495 CB MET A 31 5.380 -5.570 -6.673 1.00 0.00 C ATOM 496 CG MET A 31 4.483 -6.566 -5.936 1.00 0.00 C ATOM 497 SD MET A 31 5.388 -7.262 -4.531 1.00 0.00 S ATOM 498 CE MET A 31 3.954 -7.602 -3.483 1.00 0.00 C ATOM 0 H MET A 31 7.201 -4.420 -7.925 1.00 0.00 H new ATOM 0 HA MET A 31 6.981 -7.012 -6.684 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.800 -4.852 -5.969 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.794 -5.002 -7.396 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.577 -6.069 -5.589 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.171 -7.362 -6.613 1.00 0.00 H new ATOM 0 HE1 MET A 31 4.195 -8.405 -2.787 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.691 -6.704 -2.924 1.00 0.00 H new ATOM 0 HE3 MET A 31 3.111 -7.902 -4.106 1.00 0.00 H new ATOM 508 N LEU A 32 6.695 -8.052 -9.072 1.00 0.00 N ATOM 509 CA LEU A 32 6.249 -8.859 -10.202 1.00 0.00 C ATOM 510 C LEU A 32 5.663 -10.188 -9.712 1.00 0.00 C ATOM 511 O LEU A 32 5.829 -10.551 -8.549 1.00 0.00 O ATOM 512 CB LEU A 32 7.455 -9.090 -11.152 1.00 0.00 C ATOM 513 CG LEU A 32 7.295 -8.253 -12.436 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.572 -6.786 -12.109 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.282 -8.740 -13.498 1.00 0.00 C ATOM 0 H LEU A 32 7.633 -8.273 -8.737 1.00 0.00 H new ATOM 0 HA LEU A 32 5.460 -8.338 -10.745 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.382 -8.819 -10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.529 -10.147 -11.406 1.00 0.00 H new ATOM 0 HG LEU A 32 6.281 -8.360 -12.821 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.461 -6.185 -13.012 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.865 -6.442 -11.355 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.588 -6.684 -11.727 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.165 -8.145 -14.404 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.300 -8.635 -13.124 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.085 -9.788 -13.724 1.00 0.00 H new ATOM 527 N PRO A 33 4.980 -10.909 -10.569 1.00 0.00 N ATOM 528 CA PRO A 33 4.367 -12.213 -10.199 1.00 0.00 C ATOM 529 C PRO A 33 5.323 -13.092 -9.402 1.00 0.00 C ATOM 530 O PRO A 33 6.472 -12.725 -9.161 1.00 0.00 O ATOM 531 CB PRO A 33 4.033 -12.859 -11.548 1.00 0.00 C ATOM 532 CG PRO A 33 3.843 -11.720 -12.492 1.00 0.00 C ATOM 533 CD PRO A 33 4.711 -10.566 -11.980 1.00 0.00 C ATOM 0 HA PRO A 33 3.496 -12.084 -9.557 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.837 -13.515 -11.880 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.132 -13.468 -11.480 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.136 -12.004 -13.503 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.795 -11.425 -12.535 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.635 -10.480 -12.551 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.193 -9.611 -12.065 1.00 0.00 H new ATOM 541 N GLY A 34 4.836 -14.265 -9.010 1.00 0.00 N ATOM 542 CA GLY A 34 5.639 -15.218 -8.250 1.00 0.00 C ATOM 543 C GLY A 34 5.016 -15.480 -6.880 1.00 0.00 C ATOM 544 O GLY A 34 5.575 -16.210 -6.063 1.00 0.00 O ATOM 0 H GLY A 34 3.886 -14.580 -9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.721 -16.154 -8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.651 -14.831 -8.127 1.00 0.00 H new ATOM 548 N SER A 35 3.851 -14.877 -6.641 1.00 0.00 N ATOM 549 CA SER A 35 3.145 -15.045 -5.369 1.00 0.00 C ATOM 550 C SER A 35 1.641 -15.140 -5.608 1.00 0.00 C ATOM 551 O SER A 35 1.197 -15.496 -6.700 1.00 0.00 O ATOM 552 CB SER A 35 3.442 -13.864 -4.444 1.00 0.00 C ATOM 553 OG SER A 35 4.849 -13.722 -4.303 1.00 0.00 O ATOM 0 H SER A 35 3.377 -14.269 -7.309 1.00 0.00 H new ATOM 0 HA SER A 35 3.491 -15.966 -4.900 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.012 -12.950 -4.852 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.981 -14.025 -3.469 1.00 0.00 H new ATOM 0 HG SER A 35 5.044 -12.965 -3.712 1.00 0.00 H new ATOM 559 N SER A 36 0.862 -14.823 -4.576 1.00 0.00 N ATOM 560 CA SER A 36 -0.594 -14.876 -4.672 1.00 0.00 C ATOM 561 C SER A 36 -1.220 -13.745 -3.869 1.00 0.00 C ATOM 562 O SER A 36 -0.565 -13.133 -3.024 1.00 0.00 O ATOM 563 CB SER A 36 -1.101 -16.220 -4.146 1.00 0.00 C ATOM 564 OG SER A 36 -0.827 -16.310 -2.753 1.00 0.00 O ATOM 0 H SER A 36 1.214 -14.527 -3.666 1.00 0.00 H new ATOM 0 HA SER A 36 -0.878 -14.765 -5.719 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.172 -16.314 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.616 -17.039 -4.678 1.00 0.00 H new ATOM 0 HG SER A 36 -1.152 -17.169 -2.411 1.00 0.00 H new ATOM 570 N PHE A 37 -2.492 -13.470 -4.144 1.00 0.00 N ATOM 571 CA PHE A 37 -3.214 -12.405 -3.450 1.00 0.00 C ATOM 572 C PHE A 37 -4.646 -12.836 -3.164 1.00 0.00 C ATOM 573 O PHE A 37 -5.170 -13.755 -3.799 1.00 0.00 O ATOM 574 CB PHE A 37 -3.223 -11.138 -4.304 1.00 0.00 C ATOM 575 CG PHE A 37 -3.995 -11.389 -5.578 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.353 -11.935 -6.696 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.354 -11.071 -5.640 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.070 -12.163 -7.874 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.073 -11.301 -6.818 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.431 -11.846 -7.934 1.00 0.00 C ATOM 0 H PHE A 37 -3.045 -13.969 -4.842 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.709 -12.201 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.676 -10.317 -3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.202 -10.839 -4.539 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.302 -12.180 -6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.849 -10.648 -4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.574 -12.583 -8.736 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.124 -11.057 -6.865 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.986 -12.022 -8.843 1.00 0.00 H new ATOM 590 N ASN A 38 -5.274 -12.166 -2.200 1.00 0.00 N ATOM 591 CA ASN A 38 -6.652 -12.475 -1.816 1.00 0.00 C ATOM 592 C ASN A 38 -7.579 -11.319 -2.172 1.00 0.00 C ATOM 593 O ASN A 38 -7.198 -10.143 -2.093 1.00 0.00 O ATOM 594 CB ASN A 38 -6.723 -12.746 -0.315 1.00 0.00 C ATOM 595 CG ASN A 38 -6.047 -14.075 0.001 1.00 0.00 C ATOM 596 OD1 ASN A 38 -5.882 -14.913 -0.886 1.00 0.00 O ATOM 597 ND2 ASN A 38 -5.642 -14.319 1.216 1.00 0.00 N ATOM 0 H ASN A 38 -4.851 -11.405 -1.669 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.973 -13.362 -2.362 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.235 -11.940 0.233 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.763 -12.770 0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.187 -15.206 1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.780 -13.623 1.949 1.00 0.00 H new ATOM 604 N VAL A 39 -8.801 -11.659 -2.569 1.00 0.00 N ATOM 605 CA VAL A 39 -9.777 -10.644 -2.936 1.00 0.00 C ATOM 606 C VAL A 39 -10.518 -10.151 -1.698 1.00 0.00 C ATOM 607 O VAL A 39 -11.034 -10.947 -0.913 1.00 0.00 O ATOM 608 CB VAL A 39 -10.785 -11.222 -3.934 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.831 -10.158 -4.285 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.051 -11.679 -5.202 1.00 0.00 C ATOM 0 H VAL A 39 -9.135 -12.620 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.250 -9.808 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.288 -12.079 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.547 -10.572 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.354 -9.850 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.337 -9.294 -4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.770 -12.090 -5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.542 -10.828 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.319 -12.444 -4.943 1.00 0.00 H new ATOM 620 N VAL A 40 -10.568 -8.835 -1.528 1.00 0.00 N ATOM 621 CA VAL A 40 -11.252 -8.249 -0.382 1.00 0.00 C ATOM 622 C VAL A 40 -12.764 -8.484 -0.460 1.00 0.00 C ATOM 623 O VAL A 40 -13.404 -8.788 0.547 1.00 0.00 O ATOM 624 CB VAL A 40 -10.936 -6.742 -0.296 1.00 0.00 C ATOM 625 CG1 VAL A 40 -11.113 -6.075 -1.667 1.00 0.00 C ATOM 626 CG2 VAL A 40 -11.870 -6.073 0.721 1.00 0.00 C ATOM 0 H VAL A 40 -10.146 -8.158 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.890 -8.737 0.523 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.901 -6.623 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.886 -5.012 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.437 -6.537 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.142 -6.201 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.643 -5.008 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.905 -6.207 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.726 -6.528 1.701 1.00 0.00 H new ATOM 636 N ARG A 41 -13.321 -8.328 -1.654 1.00 0.00 N ATOM 637 CA ARG A 41 -14.752 -8.504 -1.859 1.00 0.00 C ATOM 638 C ARG A 41 -15.082 -8.387 -3.338 1.00 0.00 C ATOM 639 O ARG A 41 -14.305 -7.824 -4.109 1.00 0.00 O ATOM 640 CB ARG A 41 -15.521 -7.427 -1.082 1.00 0.00 C ATOM 641 CG ARG A 41 -15.215 -6.039 -1.661 1.00 0.00 C ATOM 642 CD ARG A 41 -15.889 -4.968 -0.798 1.00 0.00 C ATOM 643 NE ARG A 41 -15.291 -4.940 0.532 1.00 0.00 N ATOM 644 CZ ARG A 41 -15.753 -4.124 1.475 1.00 0.00 C ATOM 645 NH1 ARG A 41 -16.754 -3.329 1.215 1.00 0.00 N ATOM 646 NH2 ARG A 41 -15.204 -4.118 2.658 1.00 0.00 N ATOM 0 H ARG A 41 -12.802 -8.079 -2.496 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.042 -9.492 -1.501 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.592 -7.624 -1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.243 -7.459 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.138 -5.874 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.575 -5.974 -2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.786 -3.992 -1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.957 -5.173 -0.720 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.506 -5.556 0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.182 -3.334 0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.109 -2.703 1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.420 -4.739 2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.558 -3.492 3.381 1.00 0.00 H new ATOM 660 N VAL A 42 -16.246 -8.896 -3.729 1.00 0.00 N ATOM 661 CA VAL A 42 -16.681 -8.814 -5.123 1.00 0.00 C ATOM 662 C VAL A 42 -18.118 -8.313 -5.175 1.00 0.00 C ATOM 663 O VAL A 42 -19.014 -8.921 -4.588 1.00 0.00 O ATOM 664 CB VAL A 42 -16.583 -10.192 -5.773 1.00 0.00 C ATOM 665 CG1 VAL A 42 -17.237 -10.163 -7.157 1.00 0.00 C ATOM 666 CG2 VAL A 42 -15.107 -10.566 -5.906 1.00 0.00 C ATOM 0 H VAL A 42 -16.903 -9.367 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.040 -8.120 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.099 -10.929 -5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.163 -11.149 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.287 -9.886 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.727 -9.432 -7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.021 -11.549 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.599 -9.827 -6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.647 -10.589 -4.918 1.00 0.00 H new ATOM 676 N ALA A 43 -18.344 -7.206 -5.880 1.00 0.00 N ATOM 677 CA ALA A 43 -19.690 -6.650 -5.991 1.00 0.00 C ATOM 678 C ALA A 43 -20.382 -7.167 -7.270 1.00 0.00 C ATOM 679 O ALA A 43 -19.983 -6.795 -8.375 1.00 0.00 O ATOM 680 CB ALA A 43 -19.617 -5.120 -6.033 1.00 0.00 C ATOM 0 H ALA A 43 -17.623 -6.683 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.269 -6.965 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.623 -4.710 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.150 -4.753 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.026 -4.807 -6.894 1.00 0.00 H new ATOM 686 N PRO A 44 -21.401 -8.007 -7.164 1.00 0.00 N ATOM 687 CA PRO A 44 -22.123 -8.546 -8.363 1.00 0.00 C ATOM 688 C PRO A 44 -23.059 -7.508 -8.991 1.00 0.00 C ATOM 689 O PRO A 44 -23.591 -7.719 -10.081 1.00 0.00 O ATOM 690 CB PRO A 44 -22.902 -9.751 -7.817 1.00 0.00 C ATOM 691 CG PRO A 44 -23.144 -9.438 -6.374 1.00 0.00 C ATOM 692 CD PRO A 44 -21.981 -8.544 -5.913 1.00 0.00 C ATOM 0 HA PRO A 44 -21.437 -8.817 -9.166 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.841 -9.889 -8.353 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.332 -10.673 -7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.099 -8.928 -6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.187 -10.352 -5.782 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.331 -7.742 -5.263 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.244 -9.114 -5.347 1.00 0.00 H new ATOM 700 N LEU A 45 -23.275 -6.406 -8.283 1.00 0.00 N ATOM 701 CA LEU A 45 -24.171 -5.362 -8.769 1.00 0.00 C ATOM 702 C LEU A 45 -23.678 -4.793 -10.097 1.00 0.00 C ATOM 703 O LEU A 45 -24.480 -4.386 -10.938 1.00 0.00 O ATOM 704 CB LEU A 45 -24.262 -4.235 -7.722 1.00 0.00 C ATOM 705 CG LEU A 45 -25.249 -4.622 -6.608 1.00 0.00 C ATOM 706 CD1 LEU A 45 -26.700 -4.659 -7.142 1.00 0.00 C ATOM 707 CD2 LEU A 45 -24.852 -5.993 -6.050 1.00 0.00 C ATOM 0 H LEU A 45 -22.846 -6.212 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.157 -5.798 -8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.277 -4.045 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.586 -3.310 -8.200 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.207 -3.874 -5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.378 -4.935 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -26.972 -3.675 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -26.774 -5.393 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.545 -6.278 -5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.887 -6.735 -6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.841 -5.942 -5.646 1.00 0.00 H new ATOM 719 N GLY A 46 -22.362 -4.769 -10.286 1.00 0.00 N ATOM 720 CA GLY A 46 -21.780 -4.249 -11.526 1.00 0.00 C ATOM 721 C GLY A 46 -20.639 -3.291 -11.222 1.00 0.00 C ATOM 722 O GLY A 46 -20.318 -2.419 -12.025 1.00 0.00 O ATOM 0 H GLY A 46 -21.680 -5.100 -9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.415 -5.075 -12.137 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.547 -3.737 -12.107 1.00 0.00 H new ATOM 726 N ASP A 47 -20.028 -3.453 -10.051 1.00 0.00 N ATOM 727 CA ASP A 47 -18.921 -2.587 -9.649 1.00 0.00 C ATOM 728 C ASP A 47 -17.587 -3.274 -9.959 1.00 0.00 C ATOM 729 O ASP A 47 -17.533 -4.494 -10.126 1.00 0.00 O ATOM 730 CB ASP A 47 -19.038 -2.270 -8.135 1.00 0.00 C ATOM 731 CG ASP A 47 -19.530 -0.837 -7.909 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.651 -0.549 -8.295 1.00 0.00 O ATOM 733 OD2 ASP A 47 -18.780 -0.055 -7.348 1.00 0.00 O ATOM 0 H ASP A 47 -20.277 -4.169 -9.369 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.963 -1.651 -10.207 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.726 -2.973 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.068 -2.405 -7.656 1.00 0.00 H new ATOM 738 N PRO A 48 -16.525 -2.516 -10.040 1.00 0.00 N ATOM 739 CA PRO A 48 -15.170 -3.059 -10.336 1.00 0.00 C ATOM 740 C PRO A 48 -14.749 -4.116 -9.319 1.00 0.00 C ATOM 741 O PRO A 48 -15.412 -4.311 -8.300 1.00 0.00 O ATOM 742 CB PRO A 48 -14.250 -1.822 -10.278 1.00 0.00 C ATOM 743 CG PRO A 48 -15.035 -0.789 -9.529 1.00 0.00 C ATOM 744 CD PRO A 48 -16.495 -1.059 -9.862 1.00 0.00 C ATOM 0 HA PRO A 48 -15.130 -3.565 -11.301 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.313 -2.051 -9.770 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.993 -1.474 -11.279 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.858 -0.865 -8.456 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.745 0.218 -9.830 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -17.159 -0.736 -9.060 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.807 -0.535 -10.765 1.00 0.00 H new ATOM 752 N ILE A 49 -13.649 -4.802 -9.614 1.00 0.00 N ATOM 753 CA ILE A 49 -13.150 -5.850 -8.729 1.00 0.00 C ATOM 754 C ILE A 49 -12.083 -5.282 -7.805 1.00 0.00 C ATOM 755 O ILE A 49 -11.007 -4.883 -8.250 1.00 0.00 O ATOM 756 CB ILE A 49 -12.545 -6.987 -9.570 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.412 -7.204 -10.817 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.483 -8.279 -8.745 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.863 -7.495 -10.418 1.00 0.00 C ATOM 0 H ILE A 49 -13.089 -4.653 -10.453 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.975 -6.236 -8.131 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.532 -6.717 -9.870 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.374 -6.319 -11.452 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.016 -8.034 -11.402 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.053 -9.077 -9.350 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.863 -8.118 -7.863 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.489 -8.561 -8.434 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.464 -7.646 -11.315 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.898 -8.394 -9.802 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.261 -6.652 -9.853 1.00 0.00 H new ATOM 771 N HIS A 50 -12.389 -5.258 -6.513 1.00 0.00 N ATOM 772 CA HIS A 50 -11.455 -4.746 -5.514 1.00 0.00 C ATOM 773 C HIS A 50 -10.698 -5.900 -4.882 1.00 0.00 C ATOM 774 O HIS A 50 -11.302 -6.846 -4.378 1.00 0.00 O ATOM 775 CB HIS A 50 -12.214 -3.977 -4.431 1.00 0.00 C ATOM 776 CG HIS A 50 -12.724 -2.682 -5.000 1.00 0.00 C ATOM 777 ND1 HIS A 50 -12.758 -1.512 -4.258 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.216 -2.353 -6.240 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.251 -0.544 -5.050 1.00 0.00 C ATOM 780 NE2 HIS A 50 -13.547 -1.002 -6.267 1.00 0.00 N ATOM 0 H HIS A 50 -13.276 -5.587 -6.131 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.750 -4.073 -6.001 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.046 -4.576 -4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.559 -3.781 -3.582 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -12.463 -1.405 -3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.329 -3.038 -7.067 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.390 0.481 -4.738 1.00 0.00 H new ATOM 788 N ILE A 51 -9.369 -5.819 -4.913 1.00 0.00 N ATOM 789 CA ILE A 51 -8.523 -6.864 -4.339 1.00 0.00 C ATOM 790 C ILE A 51 -7.540 -6.272 -3.341 1.00 0.00 C ATOM 791 O ILE A 51 -7.113 -5.122 -3.481 1.00 0.00 O ATOM 792 CB ILE A 51 -7.756 -7.592 -5.456 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.900 -6.593 -6.248 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.756 -8.258 -6.413 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.973 -7.354 -7.200 1.00 0.00 C ATOM 0 H ILE A 51 -8.855 -5.042 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.162 -7.576 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.110 -8.345 -5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.541 -5.916 -6.812 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.312 -5.980 -5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.213 -8.774 -7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.364 -8.976 -5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.402 -7.497 -6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.366 -6.644 -7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.322 -8.013 -6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.570 -7.948 -7.892 1.00 0.00 H new ATOM 807 N GLU A 52 -7.168 -7.068 -2.337 1.00 0.00 N ATOM 808 CA GLU A 52 -6.216 -6.617 -1.323 1.00 0.00 C ATOM 809 C GLU A 52 -5.184 -7.702 -1.060 1.00 0.00 C ATOM 810 O GLU A 52 -5.502 -8.761 -0.519 1.00 0.00 O ATOM 811 CB GLU A 52 -6.951 -6.265 -0.025 1.00 0.00 C ATOM 812 CG GLU A 52 -7.767 -4.986 -0.229 1.00 0.00 C ATOM 813 CD GLU A 52 -8.544 -4.653 1.041 1.00 0.00 C ATOM 814 OE1 GLU A 52 -8.385 -5.371 2.014 1.00 0.00 O ATOM 815 OE2 GLU A 52 -9.287 -3.686 1.020 1.00 0.00 O ATOM 0 H GLU A 52 -7.509 -8.020 -2.205 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.708 -5.725 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.607 -7.085 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.235 -6.126 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.105 -4.160 -0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.456 -5.114 -1.064 1.00 0.00 H new ATOM 822 N THR A 53 -3.946 -7.427 -1.454 1.00 0.00 N ATOM 823 CA THR A 53 -2.862 -8.380 -1.267 1.00 0.00 C ATOM 824 C THR A 53 -2.306 -8.248 0.147 1.00 0.00 C ATOM 825 O THR A 53 -2.704 -7.349 0.892 1.00 0.00 O ATOM 826 CB THR A 53 -1.751 -8.125 -2.284 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.851 -7.174 -1.743 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.362 -7.579 -3.586 1.00 0.00 C ATOM 0 H THR A 53 -3.670 -6.554 -1.904 1.00 0.00 H new ATOM 0 HA THR A 53 -3.247 -9.389 -1.415 1.00 0.00 H new ATOM 0 HB THR A 53 -1.223 -9.053 -2.501 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.146 -7.637 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.569 -7.397 -4.312 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.065 -8.307 -3.991 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.885 -6.646 -3.379 1.00 0.00 H new ATOM 836 N ARG A 54 -1.388 -9.147 0.506 1.00 0.00 N ATOM 837 CA ARG A 54 -0.796 -9.159 1.847 1.00 0.00 C ATOM 838 C ARG A 54 -0.658 -7.754 2.416 1.00 0.00 C ATOM 839 O ARG A 54 -1.131 -7.477 3.518 1.00 0.00 O ATOM 840 CB ARG A 54 0.597 -9.794 1.782 1.00 0.00 C ATOM 841 CG ARG A 54 0.483 -11.276 1.419 1.00 0.00 C ATOM 842 CD ARG A 54 1.886 -11.877 1.293 1.00 0.00 C ATOM 843 NE ARG A 54 2.562 -11.340 0.115 1.00 0.00 N ATOM 844 CZ ARG A 54 3.834 -11.636 -0.143 1.00 0.00 C ATOM 845 NH1 ARG A 54 4.503 -12.411 0.667 1.00 0.00 N ATOM 846 NH2 ARG A 54 4.414 -11.150 -1.207 1.00 0.00 N ATOM 0 H ARG A 54 -1.037 -9.878 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.458 -9.733 2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.207 -9.276 1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.100 -9.685 2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.085 -11.807 2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.060 -11.391 0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.467 -11.653 2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.819 -12.962 1.219 1.00 0.00 H new ATOM 0 HE ARG A 54 2.051 -10.728 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.051 -12.791 1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.478 -12.637 0.468 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.893 -10.544 -1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.389 -11.377 -1.405 1.00 0.00 H new ATOM 860 N ARG A 55 -0.024 -6.866 1.667 1.00 0.00 N ATOM 861 CA ARG A 55 0.147 -5.491 2.119 1.00 0.00 C ATOM 862 C ARG A 55 0.011 -4.529 0.948 1.00 0.00 C ATOM 863 O ARG A 55 0.648 -3.475 0.929 1.00 0.00 O ATOM 864 CB ARG A 55 1.516 -5.324 2.783 1.00 0.00 C ATOM 865 CG ARG A 55 2.612 -5.741 1.808 1.00 0.00 C ATOM 866 CD ARG A 55 3.970 -5.605 2.492 1.00 0.00 C ATOM 867 NE ARG A 55 5.037 -5.951 1.564 1.00 0.00 N ATOM 868 CZ ARG A 55 6.268 -6.198 1.996 1.00 0.00 C ATOM 869 NH1 ARG A 55 6.537 -6.136 3.271 1.00 0.00 N ATOM 870 NH2 ARG A 55 7.209 -6.502 1.145 1.00 0.00 N ATOM 0 H ARG A 55 0.378 -7.068 0.752 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.630 -5.263 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.660 -4.287 3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.569 -5.931 3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.456 -6.770 1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.577 -5.118 0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.105 -4.584 2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.012 -6.256 3.365 1.00 0.00 H new ATOM 0 HE ARG A 55 4.836 -6.005 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.802 -5.898 3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.483 -6.326 3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.999 -6.550 0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.155 -6.692 1.477 1.00 0.00 H new ATOM 884 N VAL A 56 -0.820 -4.890 -0.036 1.00 0.00 N ATOM 885 CA VAL A 56 -1.011 -4.019 -1.207 1.00 0.00 C ATOM 886 C VAL A 56 -2.474 -4.012 -1.634 1.00 0.00 C ATOM 887 O VAL A 56 -3.121 -5.057 -1.676 1.00 0.00 O ATOM 888 CB VAL A 56 -0.124 -4.489 -2.374 1.00 0.00 C ATOM 889 CG1 VAL A 56 0.115 -3.339 -3.360 1.00 0.00 C ATOM 890 CG2 VAL A 56 1.216 -4.982 -1.821 1.00 0.00 C ATOM 0 H VAL A 56 -1.360 -5.755 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.722 -3.005 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.627 -5.300 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.744 -3.687 -4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.840 -2.995 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.612 -2.516 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.848 -5.316 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.711 -4.169 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.044 -5.812 -1.136 1.00 0.00 H new ATOM 900 N SER A 57 -2.988 -2.826 -1.955 1.00 0.00 N ATOM 901 CA SER A 57 -4.380 -2.687 -2.388 1.00 0.00 C ATOM 902 C SER A 57 -4.436 -2.288 -3.856 1.00 0.00 C ATOM 903 O SER A 57 -3.652 -1.459 -4.317 1.00 0.00 O ATOM 904 CB SER A 57 -5.088 -1.625 -1.548 1.00 0.00 C ATOM 905 OG SER A 57 -4.490 -0.359 -1.791 1.00 0.00 O ATOM 0 H SER A 57 -2.466 -1.950 -1.924 1.00 0.00 H new ATOM 0 HA SER A 57 -4.881 -3.646 -2.256 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.148 -1.593 -1.799 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.018 -1.876 -0.490 1.00 0.00 H new ATOM 0 HG SER A 57 -4.943 0.325 -1.255 1.00 0.00 H new ATOM 911 N LEU A 58 -5.368 -2.891 -4.587 1.00 0.00 N ATOM 912 CA LEU A 58 -5.525 -2.597 -6.007 1.00 0.00 C ATOM 913 C LEU A 58 -6.950 -2.903 -6.450 1.00 0.00 C ATOM 914 O LEU A 58 -7.598 -3.797 -5.912 1.00 0.00 O ATOM 915 CB LEU A 58 -4.532 -3.433 -6.829 1.00 0.00 C ATOM 916 CG LEU A 58 -4.672 -3.125 -8.331 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.333 -1.652 -8.618 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.721 -4.035 -9.118 1.00 0.00 C ATOM 0 H LEU A 58 -6.023 -3.583 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.322 -1.539 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.514 -3.221 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.709 -4.494 -6.652 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.703 -3.306 -8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.438 -1.456 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.013 -1.007 -8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.307 -1.448 -8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.814 -3.824 -10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.695 -3.851 -8.799 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.978 -5.078 -8.931 1.00 0.00 H new ATOM 930 N VAL A 59 -7.423 -2.159 -7.449 1.00 0.00 N ATOM 931 CA VAL A 59 -8.770 -2.360 -7.989 1.00 0.00 C ATOM 932 C VAL A 59 -8.692 -2.611 -9.489 1.00 0.00 C ATOM 933 O VAL A 59 -8.060 -1.851 -10.222 1.00 0.00 O ATOM 934 CB VAL A 59 -9.646 -1.133 -7.722 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.031 0.095 -8.395 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.049 -1.380 -8.291 1.00 0.00 C ATOM 0 H VAL A 59 -6.896 -1.412 -7.901 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.215 -3.224 -7.495 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.711 -0.959 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.657 0.967 -8.203 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.033 0.269 -7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.964 -0.074 -9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.676 -0.509 -8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.981 -1.553 -9.365 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.488 -2.254 -7.810 1.00 0.00 H new ATOM 946 N LEU A 60 -9.328 -3.692 -9.936 1.00 0.00 N ATOM 947 CA LEU A 60 -9.324 -4.058 -11.353 1.00 0.00 C ATOM 948 C LEU A 60 -10.733 -4.416 -11.814 1.00 0.00 C ATOM 949 O LEU A 60 -11.605 -4.707 -11.001 1.00 0.00 O ATOM 950 CB LEU A 60 -8.395 -5.258 -11.563 1.00 0.00 C ATOM 951 CG LEU A 60 -6.962 -4.895 -11.154 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.094 -6.158 -11.173 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.371 -3.854 -12.124 1.00 0.00 C ATOM 0 H LEU A 60 -9.853 -4.330 -9.338 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.970 -3.209 -11.938 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.745 -6.106 -10.975 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.416 -5.565 -12.609 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.979 -4.470 -10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.075 -5.903 -10.883 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.499 -6.888 -10.473 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.090 -6.582 -12.177 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.354 -3.608 -11.819 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.357 -4.264 -13.134 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.983 -2.952 -12.107 1.00 0.00 H new ATOM 965 N ARG A 61 -10.948 -4.389 -13.126 1.00 0.00 N ATOM 966 CA ARG A 61 -12.253 -4.717 -13.699 1.00 0.00 C ATOM 967 C ARG A 61 -12.301 -6.186 -14.107 1.00 0.00 C ATOM 968 O ARG A 61 -11.265 -6.827 -14.276 1.00 0.00 O ATOM 969 CB ARG A 61 -12.525 -3.836 -14.910 1.00 0.00 C ATOM 970 CG ARG A 61 -12.771 -2.406 -14.437 1.00 0.00 C ATOM 971 CD ARG A 61 -13.015 -1.521 -15.648 1.00 0.00 C ATOM 972 NE ARG A 61 -13.217 -0.135 -15.236 1.00 0.00 N ATOM 973 CZ ARG A 61 -13.335 0.841 -16.131 1.00 0.00 C ATOM 974 NH1 ARG A 61 -13.279 0.570 -17.407 1.00 0.00 N ATOM 975 NH2 ARG A 61 -13.508 2.072 -15.734 1.00 0.00 N ATOM 0 H ARG A 61 -10.236 -4.143 -13.814 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.019 -4.537 -12.945 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.678 -3.866 -15.595 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.392 -4.206 -15.458 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.630 -2.373 -13.767 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.912 -2.043 -13.872 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.166 -1.584 -16.329 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.889 -1.875 -16.194 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.269 0.089 -14.242 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.145 -0.392 -17.719 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.370 1.320 -18.092 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.553 2.285 -14.737 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.599 2.821 -16.420 1.00 0.00 H new ATOM 989 N LYS A 62 -13.506 -6.716 -14.260 1.00 0.00 N ATOM 990 CA LYS A 62 -13.671 -8.112 -14.646 1.00 0.00 C ATOM 991 C LYS A 62 -12.878 -8.417 -15.914 1.00 0.00 C ATOM 992 O LYS A 62 -12.300 -9.499 -16.056 1.00 0.00 O ATOM 993 CB LYS A 62 -15.158 -8.406 -14.867 1.00 0.00 C ATOM 994 CG LYS A 62 -15.707 -7.484 -15.964 1.00 0.00 C ATOM 995 CD LYS A 62 -17.213 -7.721 -16.155 1.00 0.00 C ATOM 996 CE LYS A 62 -18.015 -7.043 -15.036 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.456 -7.004 -15.420 1.00 0.00 N ATOM 0 H LYS A 62 -14.379 -6.206 -14.124 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.291 -8.749 -13.847 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.294 -9.449 -15.153 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.711 -8.254 -13.940 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.527 -6.443 -15.697 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.181 -7.669 -16.901 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.528 -7.330 -17.123 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.420 -8.791 -16.160 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.890 -7.589 -14.101 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.644 -6.032 -14.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -20.004 -6.545 -14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.565 -6.466 -16.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.804 -7.974 -15.560 1.00 0.00 H new ATOM 1011 N LYS A 63 -12.847 -7.457 -16.830 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.120 -7.635 -18.079 1.00 0.00 C ATOM 1013 C LYS A 63 -10.632 -7.827 -17.805 1.00 0.00 C ATOM 1014 O LYS A 63 -9.983 -8.681 -18.409 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.329 -6.416 -18.983 1.00 0.00 C ATOM 1016 CG LYS A 63 -13.775 -6.373 -19.469 1.00 0.00 C ATOM 1017 CD LYS A 63 -13.961 -5.158 -20.377 1.00 0.00 C ATOM 1018 CE LYS A 63 -15.397 -5.128 -20.885 1.00 0.00 C ATOM 1019 NZ LYS A 63 -15.589 -3.954 -21.783 1.00 0.00 N ATOM 0 H LYS A 63 -13.313 -6.555 -16.733 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.502 -8.524 -18.581 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.092 -5.503 -18.437 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.651 -6.463 -19.835 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.017 -7.288 -20.010 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.456 -6.316 -18.620 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.737 -4.242 -19.830 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.267 -5.206 -21.216 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.622 -6.049 -21.422 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.089 -5.072 -20.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.570 -3.937 -22.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.392 -3.079 -21.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.939 -4.026 -22.592 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.097 -7.039 -16.883 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.687 -7.142 -16.539 1.00 0.00 C ATOM 1035 C ASP A 64 -8.373 -8.534 -16.000 1.00 0.00 C ATOM 1036 O ASP A 64 -7.353 -9.125 -16.349 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.335 -6.091 -15.490 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.296 -4.703 -16.121 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -8.245 -4.627 -17.337 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.316 -3.736 -15.377 1.00 0.00 O ATOM 0 H ASP A 64 -10.613 -6.328 -16.364 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.093 -6.971 -17.437 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.070 -6.111 -14.685 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.367 -6.322 -15.044 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.256 -9.061 -15.157 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.050 -10.391 -14.595 1.00 0.00 C ATOM 1047 C LEU A 65 -9.031 -11.432 -15.708 1.00 0.00 C ATOM 1048 O LEU A 65 -8.211 -12.349 -15.695 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.162 -10.721 -13.578 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.777 -10.213 -12.183 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.605 -8.693 -12.204 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.860 -10.597 -11.184 1.00 0.00 C ATOM 0 H LEU A 65 -10.110 -8.595 -14.851 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.090 -10.408 -14.079 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.100 -10.263 -13.893 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.328 -11.798 -13.547 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.832 -10.669 -11.886 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.332 -8.344 -11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.819 -8.425 -12.911 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.541 -8.225 -12.508 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.586 -10.236 -10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.807 -10.149 -11.484 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.964 -11.682 -11.159 1.00 0.00 H new ATOM 1064 N ALA A 66 -9.935 -11.289 -16.667 1.00 0.00 N ATOM 1065 CA ALA A 66 -9.990 -12.238 -17.769 1.00 0.00 C ATOM 1066 C ALA A 66 -8.656 -12.267 -18.512 1.00 0.00 C ATOM 1067 O ALA A 66 -8.074 -13.331 -18.722 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.106 -11.845 -18.735 1.00 0.00 C ATOM 0 H ALA A 66 -10.627 -10.541 -16.705 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.191 -13.230 -17.366 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.143 -12.559 -19.558 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.061 -11.848 -18.209 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.912 -10.847 -19.128 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.177 -11.090 -18.903 1.00 0.00 N ATOM 1075 CA LEU A 67 -6.904 -10.995 -19.616 1.00 0.00 C ATOM 1076 C LEU A 67 -5.735 -11.338 -18.697 1.00 0.00 C ATOM 1077 O LEU A 67 -4.783 -11.999 -19.110 1.00 0.00 O ATOM 1078 CB LEU A 67 -6.730 -9.579 -20.186 1.00 0.00 C ATOM 1079 CG LEU A 67 -7.467 -9.448 -21.532 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -6.761 -10.279 -22.629 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -8.916 -9.927 -21.367 1.00 0.00 C ATOM 0 H LEU A 67 -8.643 -10.197 -18.742 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.914 -11.715 -20.435 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.117 -8.845 -19.479 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.670 -9.362 -20.322 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.457 -8.402 -21.837 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.300 -10.171 -23.570 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.738 -9.923 -22.753 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.747 -11.329 -22.338 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.440 -9.835 -22.318 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.921 -10.970 -21.049 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.418 -9.317 -20.616 1.00 0.00 H new ATOM 1093 N LEU A 68 -5.805 -10.875 -17.457 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.736 -11.133 -16.504 1.00 0.00 C ATOM 1095 C LEU A 68 -4.569 -12.631 -16.304 1.00 0.00 C ATOM 1096 O LEU A 68 -5.552 -13.362 -16.169 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.058 -10.465 -15.167 1.00 0.00 C ATOM 1098 CG LEU A 68 -3.873 -10.605 -14.203 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -2.645 -9.849 -14.742 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.281 -10.049 -12.833 1.00 0.00 C ATOM 0 H LEU A 68 -6.582 -10.325 -17.090 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.806 -10.720 -16.895 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.285 -9.411 -15.325 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.947 -10.920 -14.730 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.605 -11.657 -14.108 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.815 -9.960 -14.045 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.362 -10.259 -15.711 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.888 -8.792 -14.852 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.446 -10.143 -12.139 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.553 -8.998 -12.933 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.134 -10.610 -12.452 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.321 -13.087 -16.289 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.052 -14.512 -16.108 1.00 0.00 C ATOM 1114 C GLU A 69 -2.979 -14.854 -14.624 1.00 0.00 C ATOM 1115 O GLU A 69 -2.032 -14.474 -13.929 1.00 0.00 O ATOM 1116 CB GLU A 69 -1.731 -14.887 -16.785 1.00 0.00 C ATOM 1117 CG GLU A 69 -1.824 -14.589 -18.281 1.00 0.00 C ATOM 1118 CD GLU A 69 -2.851 -15.509 -18.932 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -3.164 -16.528 -18.340 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -3.302 -15.186 -20.020 1.00 0.00 O ATOM 0 H GLU A 69 -2.491 -12.504 -16.398 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.865 -15.078 -16.564 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.910 -14.324 -16.341 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.516 -15.944 -16.626 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.106 -13.548 -18.436 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.850 -14.728 -18.749 1.00 0.00 H new ATOM 1127 N VAL A 70 -3.987 -15.584 -14.144 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.042 -15.990 -12.737 1.00 0.00 C ATOM 1129 C VAL A 70 -4.371 -17.469 -12.619 1.00 0.00 C ATOM 1130 O VAL A 70 -4.947 -18.065 -13.530 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.099 -15.173 -11.983 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.610 -13.733 -11.786 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.399 -15.164 -12.793 1.00 0.00 C ATOM 0 H VAL A 70 -4.775 -15.906 -14.706 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.063 -15.805 -12.296 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.273 -15.625 -11.006 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.368 -13.162 -11.250 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.685 -13.739 -11.210 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.430 -13.274 -12.758 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.154 -14.585 -12.262 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.216 -14.714 -13.769 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.752 -16.187 -12.925 1.00 0.00 H new ATOM 1143 N GLU A 71 -3.996 -18.058 -11.485 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.253 -19.480 -11.245 1.00 0.00 C ATOM 1145 C GLU A 71 -4.623 -19.726 -9.787 1.00 0.00 C ATOM 1146 O GLU A 71 -4.090 -19.083 -8.882 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.012 -20.305 -11.600 1.00 0.00 C ATOM 1148 CG GLU A 71 -2.784 -20.266 -13.115 1.00 0.00 C ATOM 1149 CD GLU A 71 -1.531 -21.056 -13.481 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -0.894 -21.572 -12.577 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -1.227 -21.132 -14.660 1.00 0.00 O ATOM 0 H GLU A 71 -3.517 -17.579 -10.723 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.088 -19.784 -11.876 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.139 -19.909 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.141 -21.335 -11.268 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.649 -20.683 -13.631 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.682 -19.233 -13.448 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.534 -20.666 -9.569 1.00 0.00 N ATOM 1159 CA ALA A 72 -5.967 -21.000 -8.218 1.00 0.00 C ATOM 1160 C ALA A 72 -4.822 -21.643 -7.447 1.00 0.00 C ATOM 1161 O ALA A 72 -3.989 -22.344 -8.026 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.157 -21.960 -8.268 1.00 0.00 C ATOM 0 H ALA A 72 -5.985 -21.208 -10.306 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.270 -20.083 -7.712 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.472 -22.202 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.983 -21.489 -8.801 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.866 -22.874 -8.786 1.00 0.00 H new ATOM 1168 N VAL A 73 -4.779 -21.398 -6.139 1.00 0.00 N ATOM 1169 CA VAL A 73 -3.722 -21.955 -5.292 1.00 0.00 C ATOM 1170 C VAL A 73 -4.288 -23.050 -4.396 1.00 0.00 C ATOM 1171 O VAL A 73 -5.308 -22.857 -3.733 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.123 -20.852 -4.419 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -1.971 -21.425 -3.590 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.596 -19.724 -5.308 1.00 0.00 C ATOM 0 H VAL A 73 -5.459 -20.821 -5.643 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.948 -22.378 -5.933 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.892 -20.461 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.544 -20.638 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.344 -22.228 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.203 -21.817 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.169 -18.938 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.828 -20.115 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.415 -19.314 -5.899 1.00 0.00 H new ATOM 1184 N SER A 74 -3.620 -24.199 -4.380 1.00 0.00 N ATOM 1185 CA SER A 74 -4.062 -25.322 -3.560 1.00 0.00 C ATOM 1186 C SER A 74 -2.886 -26.237 -3.240 1.00 0.00 C ATOM 1187 O SER A 74 -1.887 -26.250 -3.961 1.00 0.00 O ATOM 1188 CB SER A 74 -5.140 -26.113 -4.303 1.00 0.00 C ATOM 1189 OG SER A 74 -4.516 -27.024 -5.198 1.00 0.00 O ATOM 0 H SER A 74 -2.775 -24.377 -4.923 1.00 0.00 H new ATOM 0 HA SER A 74 -4.474 -24.935 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.766 -26.653 -3.593 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.793 -25.434 -4.852 1.00 0.00 H new ATOM 0 HG SER A 74 -5.202 -27.535 -5.676 1.00 0.00 H new ATOM 1195 N SER A 75 -3.011 -27.002 -2.156 1.00 0.00 N ATOM 1196 CA SER A 75 -1.950 -27.921 -1.745 1.00 0.00 C ATOM 1197 C SER A 75 -0.576 -27.297 -1.968 1.00 0.00 C ATOM 1198 O SER A 75 0.088 -27.576 -2.966 1.00 0.00 O ATOM 1199 CB SER A 75 -2.055 -29.223 -2.536 1.00 0.00 C ATOM 1200 OG SER A 75 -3.378 -29.733 -2.424 1.00 0.00 O ATOM 0 H SER A 75 -3.831 -27.004 -1.550 1.00 0.00 H new ATOM 0 HA SER A 75 -2.070 -28.129 -0.682 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.808 -29.047 -3.583 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.338 -29.952 -2.157 1.00 0.00 H new ATOM 0 HG SER A 75 -3.451 -30.568 -2.932 1.00 0.00 H new ATOM 1206 N LEU A 76 -0.158 -26.447 -1.037 1.00 0.00 N ATOM 1207 CA LEU A 76 1.135 -25.787 -1.155 1.00 0.00 C ATOM 1208 C LEU A 76 2.257 -26.817 -1.136 1.00 0.00 C ATOM 1209 O LEU A 76 3.206 -26.729 -1.915 1.00 0.00 O ATOM 1210 CB LEU A 76 1.329 -24.792 -0.003 1.00 0.00 C ATOM 1211 CG LEU A 76 2.681 -24.069 -0.137 1.00 0.00 C ATOM 1212 CD1 LEU A 76 2.746 -23.295 -1.469 1.00 0.00 C ATOM 1213 CD2 LEU A 76 2.849 -23.101 1.042 1.00 0.00 C ATOM 0 H LEU A 76 -0.689 -26.201 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 76 1.163 -25.248 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.519 -24.063 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.284 -25.318 0.951 1.00 0.00 H new ATOM 0 HG LEU A 76 3.486 -24.803 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.708 -22.789 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.632 -23.991 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.944 -22.557 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.805 -22.584 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.040 -22.371 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.822 -23.659 1.978 1.00 0.00 H new ATOM 1225 N GLU A 77 2.145 -27.791 -0.238 1.00 0.00 N ATOM 1226 CA GLU A 77 3.160 -28.832 -0.122 1.00 0.00 C ATOM 1227 C GLU A 77 4.560 -28.229 -0.214 1.00 0.00 C ATOM 1228 O GLU A 77 5.221 -28.333 -1.248 1.00 0.00 O ATOM 1229 CB GLU A 77 2.978 -29.866 -1.233 1.00 0.00 C ATOM 1230 CG GLU A 77 1.664 -30.615 -1.018 1.00 0.00 C ATOM 1231 CD GLU A 77 1.436 -31.602 -2.156 1.00 0.00 C ATOM 1232 OE1 GLU A 77 2.296 -31.693 -3.016 1.00 0.00 O ATOM 1233 OE2 GLU A 77 0.405 -32.253 -2.152 1.00 0.00 O ATOM 0 H GLU A 77 1.367 -27.881 0.416 1.00 0.00 H new ATOM 0 HA GLU A 77 3.046 -29.316 0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.974 -29.374 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.813 -30.567 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.689 -31.145 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.836 -29.908 -0.968 1.00 0.00 H new ATOM 1240 N HIS A 78 5.001 -27.592 0.868 1.00 0.00 N ATOM 1241 CA HIS A 78 6.324 -26.968 0.896 1.00 0.00 C ATOM 1242 C HIS A 78 6.610 -26.258 -0.426 1.00 0.00 C ATOM 1243 O HIS A 78 5.700 -26.013 -1.217 1.00 0.00 O ATOM 1244 CB HIS A 78 7.396 -28.030 1.159 1.00 0.00 C ATOM 1245 CG HIS A 78 7.272 -29.134 0.147 1.00 0.00 C ATOM 1246 ND1 HIS A 78 6.382 -30.185 0.307 1.00 0.00 N ATOM 1247 CD2 HIS A 78 7.909 -29.362 -1.048 1.00 0.00 C ATOM 1248 CE1 HIS A 78 6.508 -30.989 -0.765 1.00 0.00 C ATOM 1249 NE2 HIS A 78 7.426 -30.533 -1.622 1.00 0.00 N ATOM 0 H HIS A 78 4.467 -27.494 1.732 1.00 0.00 H new ATOM 0 HA HIS A 78 6.343 -26.231 1.698 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.388 -27.581 1.103 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.284 -28.432 2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.670 -28.728 -1.477 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.936 -31.893 -0.914 1.00 0.00 H new ATOM 0 HE2 HIS A 78 7.711 -30.953 -2.507 1.00 0.00 H new ATOM 1257 N HIS A 79 7.880 -25.933 -0.662 1.00 0.00 N ATOM 1258 CA HIS A 79 8.280 -25.252 -1.895 1.00 0.00 C ATOM 1259 C HIS A 79 8.908 -26.244 -2.866 1.00 0.00 C ATOM 1260 O HIS A 79 9.888 -26.914 -2.539 1.00 0.00 O ATOM 1261 CB HIS A 79 9.289 -24.146 -1.574 1.00 0.00 C ATOM 1262 CG HIS A 79 8.625 -23.096 -0.729 1.00 0.00 C ATOM 1263 ND1 HIS A 79 7.749 -22.163 -1.263 1.00 0.00 N ATOM 1264 CD2 HIS A 79 8.696 -22.816 0.614 1.00 0.00 C ATOM 1265 CE1 HIS A 79 7.331 -21.375 -0.256 1.00 0.00 C ATOM 1266 NE2 HIS A 79 7.879 -21.729 0.910 1.00 0.00 N ATOM 0 H HIS A 79 8.648 -26.129 -0.020 1.00 0.00 H new ATOM 0 HA HIS A 79 7.394 -24.815 -2.355 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.147 -24.563 -1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.665 -23.703 -2.496 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.295 -23.357 1.331 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.637 -20.556 -0.375 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.730 -21.296 1.821 1.00 0.00 H new ATOM 1274 N HIS A 80 8.333 -26.334 -4.063 1.00 0.00 N ATOM 1275 CA HIS A 80 8.841 -27.248 -5.082 1.00 0.00 C ATOM 1276 C HIS A 80 9.972 -26.592 -5.863 1.00 0.00 C ATOM 1277 O HIS A 80 9.885 -25.422 -6.236 1.00 0.00 O ATOM 1278 CB HIS A 80 7.713 -27.635 -6.040 1.00 0.00 C ATOM 1279 CG HIS A 80 6.629 -28.348 -5.280 1.00 0.00 C ATOM 1280 ND1 HIS A 80 6.819 -29.604 -4.724 1.00 0.00 N ATOM 1281 CD2 HIS A 80 5.338 -27.994 -4.972 1.00 0.00 C ATOM 1282 CE1 HIS A 80 5.671 -29.957 -4.118 1.00 0.00 C ATOM 1283 NE2 HIS A 80 4.736 -29.011 -4.239 1.00 0.00 N ATOM 0 H HIS A 80 7.520 -25.789 -4.350 1.00 0.00 H new ATOM 0 HA HIS A 80 9.223 -28.143 -4.591 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.309 -26.744 -6.521 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.099 -28.277 -6.832 1.00 0.00 H new ATOM 0 HD1 HIS A 80 7.674 -30.159 -4.767 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.863 -27.067 -5.256 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.523 -30.892 -3.597 1.00 0.00 H new ATOM 1291 N HIS A 81 11.035 -27.353 -6.110 1.00 0.00 N ATOM 1292 CA HIS A 81 12.183 -26.837 -6.851 1.00 0.00 C ATOM 1293 C HIS A 81 11.981 -27.029 -8.350 1.00 0.00 C ATOM 1294 O HIS A 81 12.415 -28.028 -8.923 1.00 0.00 O ATOM 1295 CB HIS A 81 13.453 -27.563 -6.406 1.00 0.00 C ATOM 1296 CG HIS A 81 13.294 -29.040 -6.639 1.00 0.00 C ATOM 1297 ND1 HIS A 81 12.456 -29.825 -5.861 1.00 0.00 N ATOM 1298 CD2 HIS A 81 13.861 -29.893 -7.554 1.00 0.00 C ATOM 1299 CE1 HIS A 81 12.541 -31.087 -6.317 1.00 0.00 C ATOM 1300 NE2 HIS A 81 13.384 -31.185 -7.349 1.00 0.00 N ATOM 0 H HIS A 81 11.126 -28.324 -5.810 1.00 0.00 H new ATOM 0 HA HIS A 81 12.281 -25.771 -6.645 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.313 -27.187 -6.961 1.00 0.00 H new ATOM 0 HB3 HIS A 81 13.645 -27.369 -5.351 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.569 -29.605 -8.317 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.994 -31.920 -5.900 1.00 0.00 H new ATOM 0 HE2 HIS A 81 13.626 -32.025 -7.874 1.00 0.00 H new ATOM 1308 N HIS A 82 11.318 -26.063 -8.978 1.00 0.00 N ATOM 1309 CA HIS A 82 11.061 -26.133 -10.412 1.00 0.00 C ATOM 1310 C HIS A 82 12.369 -26.056 -11.192 1.00 0.00 C ATOM 1311 O HIS A 82 12.580 -26.804 -12.147 1.00 0.00 O ATOM 1312 CB HIS A 82 10.142 -24.986 -10.835 1.00 0.00 C ATOM 1313 CG HIS A 82 9.784 -25.140 -12.288 1.00 0.00 C ATOM 1314 ND1 HIS A 82 10.588 -24.649 -13.305 1.00 0.00 N ATOM 1315 CD2 HIS A 82 8.712 -25.729 -12.910 1.00 0.00 C ATOM 1316 CE1 HIS A 82 9.994 -24.948 -14.473 1.00 0.00 C ATOM 1317 NE2 HIS A 82 8.846 -25.607 -14.290 1.00 0.00 N ATOM 0 H HIS A 82 10.951 -25.228 -8.521 1.00 0.00 H new ATOM 0 HA HIS A 82 10.576 -27.084 -10.631 1.00 0.00 H new ATOM 0 HB2 HIS A 82 9.239 -24.986 -10.225 1.00 0.00 H new ATOM 0 HB3 HIS A 82 10.638 -24.029 -10.671 1.00 0.00 H new ATOM 0 HD1 HIS A 82 11.470 -24.151 -13.188 1.00 0.00 H new ATOM 0 HD2 HIS A 82 7.889 -26.214 -12.405 1.00 0.00 H new ATOM 0 HE1 HIS A 82 10.395 -24.687 -15.441 1.00 0.00 H new ATOM 1325 N HIS A 83 13.246 -25.146 -10.780 1.00 0.00 N ATOM 1326 CA HIS A 83 14.532 -24.979 -11.446 1.00 0.00 C ATOM 1327 C HIS A 83 14.342 -24.864 -12.956 1.00 0.00 C ATOM 1328 O HIS A 83 13.202 -24.802 -13.386 1.00 0.00 O ATOM 1329 CB HIS A 83 15.440 -26.169 -11.133 1.00 0.00 C ATOM 1330 CG HIS A 83 16.822 -25.898 -11.658 1.00 0.00 C ATOM 1331 ND1 HIS A 83 17.201 -26.230 -12.949 1.00 0.00 N ATOM 1332 CD2 HIS A 83 17.929 -25.327 -11.079 1.00 0.00 C ATOM 1333 CE1 HIS A 83 18.486 -25.861 -13.104 1.00 0.00 C ATOM 1334 NE2 HIS A 83 18.978 -25.305 -11.994 1.00 0.00 N ATOM 1335 OXT HIS A 83 15.339 -24.840 -13.658 1.00 0.00 O ATOM 0 H HIS A 83 13.091 -24.516 -9.993 1.00 0.00 H new ATOM 0 HA HIS A 83 14.995 -24.063 -11.079 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.475 -26.340 -10.057 1.00 0.00 H new ATOM 0 HB3 HIS A 83 15.039 -27.075 -11.586 1.00 0.00 H new ATOM 0 HD1 HIS A 83 16.613 -26.674 -13.654 1.00 0.00 H new ATOM 0 HD2 HIS A 83 17.978 -24.952 -10.067 1.00 0.00 H new ATOM 0 HE1 HIS A 83 19.050 -25.998 -14.015 1.00 0.00 H new TER 1343 HIS A 83