USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 788 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 3 THR OG1 : rot 105:sc= 1.25 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0.983 USER MOD Set 2.1: A 36 THR OG1 : rot -128:sc= -0.0929 USER MOD Set 2.2: A 38 GLN : amide:sc= -0.114 K(o=-0.21,f=-2!) USER MOD Single : A 1 MET CE :methyl 151:sc= -0.221 (180deg=-0.891) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.343 (180deg=-1.09) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0179) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0.158 (180deg=0.153) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 143:sc= -0.317 (180deg=-1.53!) USER MOD Single : A 33 ASN : amide:sc=-0.00101 K(o=-0.001,f=-0.67) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.458 K(o=-0.46,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= -0.331 (180deg=-1.49!) USER MOD Single : A 59 CYS SG : rot -105:sc= 0.164 USER MOD Single : A 60 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-5.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.349 F(o=-1.3,f=-0.35) USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0252) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc=-0.00576 K(o=-0.0058,f=-1.1) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 85 SER OG : rot -93:sc= 0.131 USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.0805 F(o=-0.62,f=-0.08) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.963 -7.324 14.263 1.00 0.00 N ATOM 2 CA MET A 1 0.294 -6.586 13.965 1.00 0.00 C ATOM 3 C MET A 1 1.029 -7.204 12.782 1.00 0.00 C ATOM 4 O MET A 1 0.937 -8.409 12.540 1.00 0.00 O ATOM 5 CB MET A 1 1.183 -6.608 15.211 1.00 0.00 C ATOM 6 CG MET A 1 1.508 -8.010 15.704 1.00 0.00 C ATOM 7 SD MET A 1 1.486 -8.136 17.503 1.00 0.00 S ATOM 8 CE MET A 1 -0.233 -7.772 17.847 1.00 0.00 C ATOM 0 H1 MET A 1 -1.254 -7.133 15.243 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.712 -7.012 13.612 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.803 -8.345 14.142 1.00 0.00 H new ATOM 0 HA MET A 1 0.049 -5.558 13.698 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.114 -6.084 14.992 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.687 -6.057 16.010 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.789 -8.714 15.285 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.491 -8.302 15.335 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.537 -8.282 18.761 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.359 -6.697 17.972 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.851 -8.116 17.017 1.00 0.00 H new ATOM 20 N LEU A 2 1.758 -6.373 12.045 1.00 0.00 N ATOM 21 CA LEU A 2 2.510 -6.838 10.884 1.00 0.00 C ATOM 22 C LEU A 2 3.664 -5.891 10.569 1.00 0.00 C ATOM 23 O LEU A 2 3.522 -4.672 10.658 1.00 0.00 O ATOM 24 CB LEU A 2 1.589 -6.958 9.667 1.00 0.00 C ATOM 25 CG LEU A 2 0.498 -5.889 9.568 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.248 -5.512 8.116 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.785 -6.377 10.224 1.00 0.00 C ATOM 0 H LEU A 2 1.844 -5.374 12.231 1.00 0.00 H new ATOM 0 HA LEU A 2 2.921 -7.820 11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.199 -6.917 8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.114 -7.939 9.686 1.00 0.00 H new ATOM 0 HG LEU A 2 0.838 -4.999 10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.531 -4.751 8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.166 -5.120 7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.071 -6.394 7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.550 -5.605 10.145 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.129 -7.282 9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.596 -6.594 11.275 1.00 0.00 H new ATOM 39 N THR A 3 4.806 -6.461 10.199 1.00 0.00 N ATOM 40 CA THR A 3 5.985 -5.668 9.869 1.00 0.00 C ATOM 41 C THR A 3 5.815 -4.982 8.519 1.00 0.00 C ATOM 42 O THR A 3 4.758 -5.067 7.895 1.00 0.00 O ATOM 43 CB THR A 3 7.236 -6.550 9.851 1.00 0.00 C ATOM 44 OG1 THR A 3 6.991 -7.784 10.501 1.00 0.00 O ATOM 45 CG2 THR A 3 8.431 -5.906 10.522 1.00 0.00 C ATOM 0 H THR A 3 4.940 -7.469 10.120 1.00 0.00 H new ATOM 0 HA THR A 3 6.102 -4.903 10.636 1.00 0.00 H new ATOM 0 HB THR A 3 7.468 -6.700 8.797 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.899 -8.494 9.832 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.284 -6.583 10.475 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.678 -4.976 10.011 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.193 -5.695 11.565 1.00 0.00 H new ATOM 53 N ILE A 4 6.866 -4.300 8.072 1.00 0.00 N ATOM 54 CA ILE A 4 6.834 -3.599 6.796 1.00 0.00 C ATOM 55 C ILE A 4 8.055 -3.946 5.951 1.00 0.00 C ATOM 56 O ILE A 4 9.193 -3.777 6.387 1.00 0.00 O ATOM 57 CB ILE A 4 6.777 -2.075 6.999 1.00 0.00 C ATOM 58 CG1 ILE A 4 5.654 -1.708 7.970 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.582 -1.374 5.666 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.065 -1.784 9.425 1.00 0.00 C ATOM 0 H ILE A 4 7.749 -4.219 8.576 1.00 0.00 H new ATOM 0 HA ILE A 4 5.933 -3.922 6.275 1.00 0.00 H new ATOM 0 HB ILE A 4 7.723 -1.744 7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.310 -0.697 7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.808 -2.376 7.804 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.543 -0.296 5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.414 -1.614 5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.649 -1.708 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.220 -1.511 10.057 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.381 -2.800 9.661 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.891 -1.096 9.606 1.00 0.00 H new ATOM 72 N GLU A 5 7.810 -4.430 4.737 1.00 0.00 N ATOM 73 CA GLU A 5 8.889 -4.799 3.830 1.00 0.00 C ATOM 74 C GLU A 5 8.859 -3.935 2.572 1.00 0.00 C ATOM 75 O GLU A 5 7.851 -3.294 2.270 1.00 0.00 O ATOM 76 CB GLU A 5 8.782 -6.278 3.450 1.00 0.00 C ATOM 77 CG GLU A 5 9.743 -7.172 4.216 1.00 0.00 C ATOM 78 CD GLU A 5 11.179 -7.016 3.754 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.486 -7.435 2.618 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.996 -6.472 4.528 1.00 0.00 O ATOM 0 H GLU A 5 6.874 -4.575 4.360 1.00 0.00 H new ATOM 0 HA GLU A 5 9.836 -4.631 4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.762 -6.618 3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.972 -6.385 2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.680 -6.940 5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.438 -8.212 4.098 1.00 0.00 H new ATOM 87 N THR A 6 9.969 -3.921 1.841 1.00 0.00 N ATOM 88 CA THR A 6 10.069 -3.136 0.616 1.00 0.00 C ATOM 89 C THR A 6 10.506 -4.007 -0.555 1.00 0.00 C ATOM 90 O THR A 6 11.170 -5.027 -0.370 1.00 0.00 O ATOM 91 CB THR A 6 11.055 -1.982 0.805 1.00 0.00 C ATOM 92 OG1 THR A 6 12.374 -2.473 0.972 1.00 0.00 O ATOM 93 CG2 THR A 6 10.735 -1.110 1.998 1.00 0.00 C ATOM 0 H THR A 6 10.812 -4.445 2.076 1.00 0.00 H new ATOM 0 HA THR A 6 9.082 -2.730 0.393 1.00 0.00 H new ATOM 0 HB THR A 6 10.969 -1.378 -0.098 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.991 -1.721 1.090 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.473 -0.312 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.743 -0.676 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.758 -1.713 2.906 1.00 0.00 H new ATOM 101 N SER A 7 10.129 -3.599 -1.762 1.00 0.00 N ATOM 102 CA SER A 7 10.482 -4.343 -2.967 1.00 0.00 C ATOM 103 C SER A 7 11.629 -3.668 -3.710 1.00 0.00 C ATOM 104 O SER A 7 12.102 -2.606 -3.308 1.00 0.00 O ATOM 105 CB SER A 7 9.266 -4.465 -3.890 1.00 0.00 C ATOM 106 OG SER A 7 9.505 -5.402 -4.926 1.00 0.00 O ATOM 0 H SER A 7 9.579 -2.757 -1.933 1.00 0.00 H new ATOM 0 HA SER A 7 10.805 -5.339 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.395 -4.772 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.034 -3.492 -4.322 1.00 0.00 H new ATOM 0 HG SER A 7 8.714 -5.463 -5.501 1.00 0.00 H new ATOM 112 N LYS A 8 12.074 -4.294 -4.795 1.00 0.00 N ATOM 113 CA LYS A 8 13.166 -3.755 -5.595 1.00 0.00 C ATOM 114 C LYS A 8 12.698 -2.559 -6.417 1.00 0.00 C ATOM 115 O LYS A 8 13.385 -1.541 -6.498 1.00 0.00 O ATOM 116 CB LYS A 8 13.731 -4.834 -6.519 1.00 0.00 C ATOM 117 CG LYS A 8 14.147 -6.103 -5.790 1.00 0.00 C ATOM 118 CD LYS A 8 14.257 -7.283 -6.743 1.00 0.00 C ATOM 119 CE LYS A 8 13.021 -8.166 -6.681 1.00 0.00 C ATOM 120 NZ LYS A 8 12.988 -8.990 -5.441 1.00 0.00 N ATOM 0 H LYS A 8 11.694 -5.176 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 8 13.951 -3.422 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.983 -5.085 -7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.593 -4.431 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.105 -5.942 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.420 -6.331 -5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.394 -6.918 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.139 -7.872 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.128 -7.543 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.998 -8.820 -7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.227 -9.696 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.900 -9.475 -5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.813 -8.375 -4.620 1.00 0.00 H new ATOM 134 N LYS A 9 11.523 -2.690 -7.025 1.00 0.00 N ATOM 135 CA LYS A 9 10.961 -1.620 -7.842 1.00 0.00 C ATOM 136 C LYS A 9 10.325 -0.542 -6.967 1.00 0.00 C ATOM 137 O LYS A 9 10.263 0.626 -7.352 1.00 0.00 O ATOM 138 CB LYS A 9 9.921 -2.183 -8.811 1.00 0.00 C ATOM 139 CG LYS A 9 10.400 -3.409 -9.573 1.00 0.00 C ATOM 140 CD LYS A 9 11.079 -3.025 -10.877 1.00 0.00 C ATOM 141 CE LYS A 9 10.669 -3.949 -12.013 1.00 0.00 C ATOM 142 NZ LYS A 9 11.673 -5.024 -12.246 1.00 0.00 N ATOM 0 H LYS A 9 10.942 -3.526 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 9 11.773 -1.168 -8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.020 -2.441 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.644 -1.407 -9.525 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.095 -3.975 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.553 -4.063 -9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.823 -1.997 -11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.161 -3.062 -10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.703 -4.398 -11.784 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.542 -3.367 -12.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.356 -5.632 -13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.589 -4.596 -12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.776 -5.596 -11.383 1.00 0.00 H new ATOM 156 N PHE A 10 9.854 -0.942 -5.790 1.00 0.00 N ATOM 157 CA PHE A 10 9.221 -0.012 -4.861 1.00 0.00 C ATOM 158 C PHE A 10 10.151 1.155 -4.537 1.00 0.00 C ATOM 159 O PHE A 10 9.700 2.284 -4.339 1.00 0.00 O ATOM 160 CB PHE A 10 8.825 -0.739 -3.574 1.00 0.00 C ATOM 161 CG PHE A 10 8.189 0.154 -2.546 1.00 0.00 C ATOM 162 CD1 PHE A 10 7.098 0.943 -2.873 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.683 0.203 -1.252 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.512 1.764 -1.929 1.00 0.00 C ATOM 165 CE2 PHE A 10 8.101 1.022 -0.305 1.00 0.00 C ATOM 166 CZ PHE A 10 7.013 1.804 -0.643 1.00 0.00 C ATOM 0 H PHE A 10 9.899 -1.905 -5.457 1.00 0.00 H new ATOM 0 HA PHE A 10 8.325 0.386 -5.337 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.133 -1.544 -3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.712 -1.202 -3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.701 0.916 -3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.533 -0.406 -0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.662 2.374 -2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.496 1.051 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.556 2.445 0.097 1.00 0.00 H new ATOM 176 N ASP A 11 11.449 0.876 -4.485 1.00 0.00 N ATOM 177 CA ASP A 11 12.440 1.903 -4.185 1.00 0.00 C ATOM 178 C ASP A 11 12.532 2.918 -5.321 1.00 0.00 C ATOM 179 O ASP A 11 12.813 4.094 -5.092 1.00 0.00 O ATOM 180 CB ASP A 11 13.809 1.265 -3.943 1.00 0.00 C ATOM 181 CG ASP A 11 13.860 0.482 -2.646 1.00 0.00 C ATOM 182 OD1 ASP A 11 13.255 0.936 -1.653 1.00 0.00 O ATOM 183 OD2 ASP A 11 14.507 -0.588 -2.623 1.00 0.00 O ATOM 0 H ASP A 11 11.839 -0.052 -4.647 1.00 0.00 H new ATOM 0 HA ASP A 11 12.125 2.424 -3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 11 14.050 0.602 -4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.572 2.044 -3.925 1.00 0.00 H new ATOM 188 N LYS A 12 12.296 2.453 -6.542 1.00 0.00 N ATOM 189 CA LYS A 12 12.353 3.320 -7.715 1.00 0.00 C ATOM 190 C LYS A 12 11.084 4.158 -7.843 1.00 0.00 C ATOM 191 O LYS A 12 11.084 5.204 -8.494 1.00 0.00 O ATOM 192 CB LYS A 12 12.554 2.484 -8.981 1.00 0.00 C ATOM 193 CG LYS A 12 13.945 1.884 -9.096 1.00 0.00 C ATOM 194 CD LYS A 12 13.944 0.403 -8.750 1.00 0.00 C ATOM 195 CE LYS A 12 15.358 -0.145 -8.641 1.00 0.00 C ATOM 196 NZ LYS A 12 15.911 0.012 -7.268 1.00 0.00 N ATOM 0 H LYS A 12 12.063 1.481 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 12 13.199 3.996 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.818 1.680 -8.997 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.363 3.109 -9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.319 2.021 -10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.627 2.414 -8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.419 0.249 -7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.396 -0.150 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.360 -1.200 -8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.003 0.370 -9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.849 -0.434 -7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.996 1.023 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.274 -0.443 -6.583 1.00 0.00 H new ATOM 210 N ASP A 13 10.003 3.693 -7.224 1.00 0.00 N ATOM 211 CA ASP A 13 8.729 4.401 -7.275 1.00 0.00 C ATOM 212 C ASP A 13 8.685 5.529 -6.246 1.00 0.00 C ATOM 213 O ASP A 13 7.977 6.519 -6.429 1.00 0.00 O ATOM 214 CB ASP A 13 7.573 3.427 -7.034 1.00 0.00 C ATOM 215 CG ASP A 13 6.760 3.175 -8.288 1.00 0.00 C ATOM 216 OD1 ASP A 13 6.490 4.146 -9.026 1.00 0.00 O ATOM 217 OD2 ASP A 13 6.391 2.007 -8.532 1.00 0.00 O ATOM 0 H ASP A 13 9.984 2.829 -6.682 1.00 0.00 H new ATOM 0 HA ASP A 13 8.626 4.840 -8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.969 2.481 -6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.922 3.825 -6.256 1.00 0.00 H new ATOM 222 N LEU A 14 9.440 5.372 -5.162 1.00 0.00 N ATOM 223 CA LEU A 14 9.478 6.378 -4.106 1.00 0.00 C ATOM 224 C LEU A 14 10.418 7.524 -4.472 1.00 0.00 C ATOM 225 O LEU A 14 10.138 8.685 -4.173 1.00 0.00 O ATOM 226 CB LEU A 14 9.921 5.743 -2.787 1.00 0.00 C ATOM 227 CG LEU A 14 9.119 4.511 -2.360 1.00 0.00 C ATOM 228 CD1 LEU A 14 10.003 3.543 -1.589 1.00 0.00 C ATOM 229 CD2 LEU A 14 7.917 4.923 -1.524 1.00 0.00 C ATOM 0 H LEU A 14 10.032 4.559 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 14 8.473 6.783 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.971 5.463 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.853 6.493 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 14 8.757 4.005 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.418 2.673 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.832 3.225 -2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.394 4.037 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.358 4.035 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.257 5.451 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.274 5.579 -2.110 1.00 0.00 H new ATOM 241 N LYS A 15 11.532 7.190 -5.114 1.00 0.00 N ATOM 242 CA LYS A 15 12.514 8.195 -5.514 1.00 0.00 C ATOM 243 C LYS A 15 11.881 9.257 -6.410 1.00 0.00 C ATOM 244 O LYS A 15 12.322 10.407 -6.430 1.00 0.00 O ATOM 245 CB LYS A 15 13.687 7.532 -6.240 1.00 0.00 C ATOM 246 CG LYS A 15 13.298 6.882 -7.557 1.00 0.00 C ATOM 247 CD LYS A 15 14.502 6.699 -8.464 1.00 0.00 C ATOM 248 CE LYS A 15 15.059 8.037 -8.928 1.00 0.00 C ATOM 249 NZ LYS A 15 15.904 7.897 -10.145 1.00 0.00 N ATOM 0 H LYS A 15 11.779 6.234 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 15 12.881 8.683 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.457 8.280 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.127 6.777 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.836 5.914 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.552 7.496 -8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.277 6.145 -7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.219 6.101 -9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.235 8.720 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.649 8.482 -8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.263 8.831 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.705 7.265 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.335 7.497 -10.918 1.00 0.00 H new ATOM 263 N ILE A 16 10.849 8.865 -7.150 1.00 0.00 N ATOM 264 CA ILE A 16 10.161 9.786 -8.048 1.00 0.00 C ATOM 265 C ILE A 16 9.200 10.692 -7.284 1.00 0.00 C ATOM 266 O ILE A 16 8.934 11.820 -7.698 1.00 0.00 O ATOM 267 CB ILE A 16 9.375 9.027 -9.134 1.00 0.00 C ATOM 268 CG1 ILE A 16 10.266 7.977 -9.801 1.00 0.00 C ATOM 269 CG2 ILE A 16 8.826 9.998 -10.170 1.00 0.00 C ATOM 270 CD1 ILE A 16 11.429 8.570 -10.566 1.00 0.00 C ATOM 0 H ILE A 16 10.471 7.918 -7.146 1.00 0.00 H new ATOM 0 HA ILE A 16 10.930 10.396 -8.521 1.00 0.00 H new ATOM 0 HB ILE A 16 8.535 8.517 -8.662 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.651 7.301 -9.038 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.661 7.378 -10.482 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.274 9.445 -10.930 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.160 10.711 -9.684 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.651 10.534 -10.639 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.018 7.768 -11.012 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.052 9.224 -11.352 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.057 9.145 -9.885 1.00 0.00 H new ATOM 282 N LEU A 17 8.682 10.192 -6.166 1.00 0.00 N ATOM 283 CA LEU A 17 7.750 10.958 -5.348 1.00 0.00 C ATOM 284 C LEU A 17 8.492 11.827 -4.337 1.00 0.00 C ATOM 285 O LEU A 17 8.118 12.974 -4.097 1.00 0.00 O ATOM 286 CB LEU A 17 6.787 10.019 -4.619 1.00 0.00 C ATOM 287 CG LEU A 17 5.652 9.461 -5.482 1.00 0.00 C ATOM 288 CD1 LEU A 17 4.745 8.560 -4.656 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.855 10.596 -6.108 1.00 0.00 C ATOM 0 H LEU A 17 8.892 9.261 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 17 7.181 11.611 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.357 9.184 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.352 10.553 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 17 6.088 8.864 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.945 8.173 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.325 7.729 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.315 9.132 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.052 10.183 -6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.429 11.219 -5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.512 11.200 -6.733 1.00 0.00 H new ATOM 301 N VAL A 18 9.544 11.270 -3.744 1.00 0.00 N ATOM 302 CA VAL A 18 10.338 11.995 -2.757 1.00 0.00 C ATOM 303 C VAL A 18 10.897 13.288 -3.341 1.00 0.00 C ATOM 304 O VAL A 18 11.061 14.282 -2.632 1.00 0.00 O ATOM 305 CB VAL A 18 11.501 11.131 -2.229 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.459 10.772 -3.355 1.00 0.00 C ATOM 307 CG2 VAL A 18 12.232 11.851 -1.105 1.00 0.00 C ATOM 0 H VAL A 18 9.866 10.320 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 18 9.672 12.237 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 18 11.088 10.205 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.272 10.162 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.925 10.212 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.868 11.684 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.050 11.227 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.632 12.794 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.538 12.048 -0.288 1.00 0.00 H new ATOM 317 N LYS A 19 11.187 13.270 -4.638 1.00 0.00 N ATOM 318 CA LYS A 19 11.729 14.441 -5.316 1.00 0.00 C ATOM 319 C LYS A 19 10.632 15.463 -5.600 1.00 0.00 C ATOM 320 O LYS A 19 10.881 16.667 -5.619 1.00 0.00 O ATOM 321 CB LYS A 19 12.410 14.031 -6.623 1.00 0.00 C ATOM 322 CG LYS A 19 13.400 15.062 -7.143 1.00 0.00 C ATOM 323 CD LYS A 19 14.462 14.420 -8.021 1.00 0.00 C ATOM 324 CE LYS A 19 15.399 13.540 -7.210 1.00 0.00 C ATOM 325 NZ LYS A 19 16.694 13.314 -7.911 1.00 0.00 N ATOM 0 H LYS A 19 11.056 12.457 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 19 12.467 14.900 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.930 13.085 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.647 13.857 -7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.868 15.824 -7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.877 15.566 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.982 13.824 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.037 15.197 -8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.586 14.005 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.919 12.581 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.305 12.709 -7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.518 12.848 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.165 14.227 -8.074 1.00 0.00 H new ATOM 339 N ASN A 20 9.416 14.972 -5.820 1.00 0.00 N ATOM 340 CA ASN A 20 8.281 15.842 -6.102 1.00 0.00 C ATOM 341 C ASN A 20 7.424 16.041 -4.855 1.00 0.00 C ATOM 342 O ASN A 20 6.215 16.248 -4.946 1.00 0.00 O ATOM 343 CB ASN A 20 7.432 15.256 -7.234 1.00 0.00 C ATOM 344 CG ASN A 20 7.657 15.970 -8.553 1.00 0.00 C ATOM 345 OD1 ASN A 20 7.032 16.992 -8.834 1.00 0.00 O ATOM 346 ND2 ASN A 20 8.554 15.431 -9.371 1.00 0.00 N ATOM 0 H ASN A 20 9.192 13.977 -5.808 1.00 0.00 H new ATOM 0 HA ASN A 20 8.667 16.813 -6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.668 14.198 -7.351 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.378 15.320 -6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.748 15.866 -10.273 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.049 14.582 -9.097 1.00 0.00 H new ATOM 353 N GLY A 21 8.062 15.982 -3.690 1.00 0.00 N ATOM 354 CA GLY A 21 7.343 16.159 -2.441 1.00 0.00 C ATOM 355 C GLY A 21 6.679 14.882 -1.967 1.00 0.00 C ATOM 356 O GLY A 21 5.593 14.530 -2.429 1.00 0.00 O ATOM 0 H GLY A 21 9.063 15.815 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.034 16.511 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.586 16.933 -2.568 1.00 0.00 H new ATOM 360 N PHE A 22 7.332 14.186 -1.042 1.00 0.00 N ATOM 361 CA PHE A 22 6.800 12.940 -0.504 1.00 0.00 C ATOM 362 C PHE A 22 7.706 12.389 0.592 1.00 0.00 C ATOM 363 O PHE A 22 8.708 11.734 0.311 1.00 0.00 O ATOM 364 CB PHE A 22 6.640 11.904 -1.619 1.00 0.00 C ATOM 365 CG PHE A 22 5.969 10.637 -1.170 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.651 10.651 -0.741 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.656 9.433 -1.178 1.00 0.00 C ATOM 368 CE1 PHE A 22 4.031 9.486 -0.327 1.00 0.00 C ATOM 369 CE2 PHE A 22 6.041 8.267 -0.765 1.00 0.00 C ATOM 370 CZ PHE A 22 4.727 8.293 -0.340 1.00 0.00 C ATOM 0 H PHE A 22 8.231 14.464 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 22 5.822 13.150 -0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.062 12.343 -2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.623 11.662 -2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.102 11.581 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.683 9.406 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.004 9.509 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.587 7.335 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.245 7.382 -0.018 1.00 0.00 H new ATOM 380 N ASP A 23 7.346 12.659 1.843 1.00 0.00 N ATOM 381 CA ASP A 23 8.127 12.190 2.981 1.00 0.00 C ATOM 382 C ASP A 23 8.032 10.674 3.118 1.00 0.00 C ATOM 383 O ASP A 23 7.119 10.048 2.580 1.00 0.00 O ATOM 384 CB ASP A 23 7.646 12.860 4.269 1.00 0.00 C ATOM 385 CG ASP A 23 8.770 13.073 5.264 1.00 0.00 C ATOM 386 OD1 ASP A 23 9.907 13.350 4.827 1.00 0.00 O ATOM 387 OD2 ASP A 23 8.513 12.961 6.482 1.00 0.00 O ATOM 0 H ASP A 23 6.518 13.200 2.094 1.00 0.00 H new ATOM 0 HA ASP A 23 9.169 12.458 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.191 13.821 4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.870 12.246 4.727 1.00 0.00 H new ATOM 392 N LEU A 24 8.980 10.089 3.842 1.00 0.00 N ATOM 393 CA LEU A 24 9.003 8.645 4.050 1.00 0.00 C ATOM 394 C LEU A 24 8.303 8.272 5.352 1.00 0.00 C ATOM 395 O LEU A 24 7.714 7.197 5.465 1.00 0.00 O ATOM 396 CB LEU A 24 10.445 8.134 4.068 1.00 0.00 C ATOM 397 CG LEU A 24 11.250 8.421 2.799 1.00 0.00 C ATOM 398 CD1 LEU A 24 11.939 9.773 2.900 1.00 0.00 C ATOM 399 CD2 LEU A 24 12.268 7.318 2.555 1.00 0.00 C ATOM 0 H LEU A 24 9.743 10.592 4.295 1.00 0.00 H new ATOM 0 HA LEU A 24 8.469 8.176 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.962 8.581 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.431 7.057 4.235 1.00 0.00 H new ATOM 0 HG LEU A 24 10.564 8.449 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.507 9.961 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.190 10.554 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.615 9.774 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.832 7.538 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.951 7.259 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.751 6.365 2.439 1.00 0.00 H new ATOM 411 N LYS A 25 8.369 9.166 6.332 1.00 0.00 N ATOM 412 CA LYS A 25 7.739 8.929 7.626 1.00 0.00 C ATOM 413 C LYS A 25 6.235 8.725 7.472 1.00 0.00 C ATOM 414 O LYS A 25 5.626 7.940 8.198 1.00 0.00 O ATOM 415 CB LYS A 25 8.014 10.101 8.573 1.00 0.00 C ATOM 416 CG LYS A 25 8.401 9.669 9.979 1.00 0.00 C ATOM 417 CD LYS A 25 9.891 9.392 10.085 1.00 0.00 C ATOM 418 CE LYS A 25 10.685 10.676 10.254 1.00 0.00 C ATOM 419 NZ LYS A 25 12.154 10.432 10.206 1.00 0.00 N ATOM 0 H LYS A 25 8.852 10.061 6.255 1.00 0.00 H new ATOM 0 HA LYS A 25 8.167 8.020 8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.814 10.714 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.126 10.730 8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.123 10.447 10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.843 8.774 10.252 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.080 8.732 10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.229 8.869 9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.408 11.380 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.425 11.141 11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.660 11.333 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.423 9.780 10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.406 10.012 9.289 1.00 0.00 H new ATOM 433 N LEU A 26 5.642 9.438 6.519 1.00 0.00 N ATOM 434 CA LEU A 26 4.209 9.335 6.268 1.00 0.00 C ATOM 435 C LEU A 26 3.829 7.914 5.862 1.00 0.00 C ATOM 436 O LEU A 26 2.757 7.423 6.214 1.00 0.00 O ATOM 437 CB LEU A 26 3.790 10.320 5.175 1.00 0.00 C ATOM 438 CG LEU A 26 4.425 10.075 3.804 1.00 0.00 C ATOM 439 CD1 LEU A 26 3.559 9.140 2.974 1.00 0.00 C ATOM 440 CD2 LEU A 26 4.641 11.393 3.076 1.00 0.00 C ATOM 0 H LEU A 26 6.131 10.093 5.909 1.00 0.00 H new ATOM 0 HA LEU A 26 3.684 9.582 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.706 10.281 5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.043 11.329 5.500 1.00 0.00 H new ATOM 0 HG LEU A 26 5.395 9.601 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.026 8.977 2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.455 8.186 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.574 9.586 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.093 11.201 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.683 11.894 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.302 12.029 3.664 1.00 0.00 H new ATOM 452 N LEU A 27 4.716 7.261 5.118 1.00 0.00 N ATOM 453 CA LEU A 27 4.473 5.897 4.663 1.00 0.00 C ATOM 454 C LEU A 27 4.703 4.896 5.791 1.00 0.00 C ATOM 455 O LEU A 27 4.079 3.835 5.828 1.00 0.00 O ATOM 456 CB LEU A 27 5.385 5.564 3.480 1.00 0.00 C ATOM 457 CG LEU A 27 5.074 4.242 2.776 1.00 0.00 C ATOM 458 CD1 LEU A 27 4.135 4.470 1.602 1.00 0.00 C ATOM 459 CD2 LEU A 27 6.359 3.572 2.311 1.00 0.00 C ATOM 0 H LEU A 27 5.608 7.654 4.818 1.00 0.00 H new ATOM 0 HA LEU A 27 3.433 5.827 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.318 6.371 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.416 5.537 3.832 1.00 0.00 H new ATOM 0 HG LEU A 27 4.579 3.581 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.925 3.518 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.203 4.907 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.603 5.149 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.120 2.633 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.881 4.229 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.998 3.373 3.172 1.00 0.00 H new ATOM 471 N TYR A 28 5.600 5.240 6.710 1.00 0.00 N ATOM 472 CA TYR A 28 5.911 4.369 7.837 1.00 0.00 C ATOM 473 C TYR A 28 4.848 4.482 8.928 1.00 0.00 C ATOM 474 O TYR A 28 4.650 3.555 9.712 1.00 0.00 O ATOM 475 CB TYR A 28 7.286 4.715 8.410 1.00 0.00 C ATOM 476 CG TYR A 28 8.391 3.810 7.915 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.417 2.464 8.253 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.411 4.304 7.110 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.425 1.633 7.802 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.424 3.481 6.655 1.00 0.00 C ATOM 481 CZ TYR A 28 10.425 2.147 7.004 1.00 0.00 C ATOM 482 OH TYR A 28 11.432 1.322 6.555 1.00 0.00 O ATOM 0 H TYR A 28 6.124 6.115 6.696 1.00 0.00 H new ATOM 0 HA TYR A 28 5.923 3.341 7.475 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.529 5.746 8.153 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.242 4.660 9.498 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.636 2.059 8.879 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.412 5.349 6.835 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.429 0.588 8.073 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.209 3.880 6.030 1.00 0.00 H new ATOM 0 HH TYR A 28 12.056 1.838 6.004 1.00 0.00 H new ATOM 492 N LYS A 29 4.169 5.626 8.975 1.00 0.00 N ATOM 493 CA LYS A 29 3.130 5.857 9.972 1.00 0.00 C ATOM 494 C LYS A 29 1.768 5.388 9.465 1.00 0.00 C ATOM 495 O LYS A 29 0.923 4.947 10.244 1.00 0.00 O ATOM 496 CB LYS A 29 3.071 7.341 10.341 1.00 0.00 C ATOM 497 CG LYS A 29 3.511 7.631 11.767 1.00 0.00 C ATOM 498 CD LYS A 29 4.980 7.301 11.974 1.00 0.00 C ATOM 499 CE LYS A 29 5.864 8.509 11.715 1.00 0.00 C ATOM 500 NZ LYS A 29 5.409 9.705 12.477 1.00 0.00 N ATOM 0 H LYS A 29 4.320 6.405 8.335 1.00 0.00 H new ATOM 0 HA LYS A 29 3.380 5.278 10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.703 7.903 9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.051 7.701 10.204 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.337 8.682 11.996 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.905 7.049 12.461 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.134 6.948 12.994 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.269 6.488 11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.892 8.272 11.991 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.864 8.736 10.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.236 10.246 12.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.822 10.305 11.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.850 9.401 13.300 1.00 0.00 H new ATOM 514 N VAL A 30 1.561 5.490 8.157 1.00 0.00 N ATOM 515 CA VAL A 30 0.302 5.080 7.549 1.00 0.00 C ATOM 516 C VAL A 30 0.147 3.559 7.548 1.00 0.00 C ATOM 517 O VAL A 30 -0.945 3.039 7.322 1.00 0.00 O ATOM 518 CB VAL A 30 0.180 5.601 6.104 1.00 0.00 C ATOM 519 CG1 VAL A 30 1.268 5.008 5.222 1.00 0.00 C ATOM 520 CG2 VAL A 30 -1.201 5.295 5.538 1.00 0.00 C ATOM 0 H VAL A 30 2.249 5.853 7.498 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.492 5.516 8.155 1.00 0.00 H new ATOM 0 HB VAL A 30 0.310 6.683 6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.162 5.390 4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.246 5.286 5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.177 3.922 5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.267 5.671 4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.364 4.217 5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.961 5.778 6.152 1.00 0.00 H new ATOM 530 N VAL A 31 1.245 2.848 7.802 1.00 0.00 N ATOM 531 CA VAL A 31 1.222 1.389 7.828 1.00 0.00 C ATOM 532 C VAL A 31 0.117 0.867 8.740 1.00 0.00 C ATOM 533 O VAL A 31 -0.634 -0.036 8.369 1.00 0.00 O ATOM 534 CB VAL A 31 2.571 0.813 8.299 1.00 0.00 C ATOM 535 CG1 VAL A 31 3.656 1.076 7.264 1.00 0.00 C ATOM 536 CG2 VAL A 31 2.959 1.398 9.650 1.00 0.00 C ATOM 0 H VAL A 31 2.159 3.259 7.992 1.00 0.00 H new ATOM 0 HA VAL A 31 1.030 1.062 6.806 1.00 0.00 H new ATOM 0 HB VAL A 31 2.464 -0.266 8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.601 0.662 7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.381 0.604 6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.764 2.150 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.914 0.980 9.967 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.047 2.481 9.566 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.194 1.153 10.386 1.00 0.00 H new ATOM 546 N GLY A 32 0.020 1.442 9.934 1.00 0.00 N ATOM 547 CA GLY A 32 -0.999 1.022 10.877 1.00 0.00 C ATOM 548 C GLY A 32 -2.402 1.265 10.358 1.00 0.00 C ATOM 549 O GLY A 32 -3.345 0.579 10.750 1.00 0.00 O ATOM 0 H GLY A 32 0.628 2.191 10.265 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.874 -0.039 11.095 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.864 1.558 11.816 1.00 0.00 H new ATOM 553 N ASN A 33 -2.541 2.248 9.472 1.00 0.00 N ATOM 554 CA ASN A 33 -3.838 2.582 8.896 1.00 0.00 C ATOM 555 C ASN A 33 -4.109 1.763 7.636 1.00 0.00 C ATOM 556 O ASN A 33 -5.256 1.627 7.211 1.00 0.00 O ATOM 557 CB ASN A 33 -3.904 4.076 8.572 1.00 0.00 C ATOM 558 CG ASN A 33 -3.938 4.939 9.817 1.00 0.00 C ATOM 559 OD1 ASN A 33 -3.028 4.889 10.645 1.00 0.00 O ATOM 560 ND2 ASN A 33 -4.993 5.734 9.957 1.00 0.00 N ATOM 0 H ASN A 33 -1.770 2.827 9.138 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.605 2.340 9.632 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.041 4.352 7.966 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.791 4.275 7.971 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.073 6.336 10.776 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.723 5.742 9.245 1.00 0.00 H new ATOM 567 N LEU A 34 -3.050 1.220 7.041 1.00 0.00 N ATOM 568 CA LEU A 34 -3.182 0.418 5.831 1.00 0.00 C ATOM 569 C LEU A 34 -3.809 -0.937 6.139 1.00 0.00 C ATOM 570 O LEU A 34 -4.715 -1.387 5.438 1.00 0.00 O ATOM 571 CB LEU A 34 -1.814 0.220 5.173 1.00 0.00 C ATOM 572 CG LEU A 34 -1.232 1.464 4.499 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.158 1.173 3.952 1.00 0.00 C ATOM 574 CD2 LEU A 34 -2.154 1.953 3.389 1.00 0.00 C ATOM 0 H LEU A 34 -2.093 1.321 7.378 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.837 0.953 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.111 -0.127 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.897 -0.572 4.429 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.149 2.253 5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.557 2.069 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.815 0.873 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.099 0.368 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.723 2.838 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.271 1.169 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.128 2.202 3.809 1.00 0.00 H new ATOM 586 N ALA A 35 -3.322 -1.583 7.193 1.00 0.00 N ATOM 587 CA ALA A 35 -3.834 -2.889 7.594 1.00 0.00 C ATOM 588 C ALA A 35 -5.297 -2.803 8.015 1.00 0.00 C ATOM 589 O ALA A 35 -6.056 -3.758 7.854 1.00 0.00 O ATOM 590 CB ALA A 35 -2.992 -3.460 8.725 1.00 0.00 C ATOM 0 H ALA A 35 -2.573 -1.224 7.785 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.770 -3.555 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.385 -4.435 9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.960 -3.569 8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.027 -2.786 9.581 1.00 0.00 H new ATOM 596 N THR A 36 -5.687 -1.653 8.557 1.00 0.00 N ATOM 597 CA THR A 36 -7.060 -1.446 9.002 1.00 0.00 C ATOM 598 C THR A 36 -7.903 -0.822 7.894 1.00 0.00 C ATOM 599 O THR A 36 -9.087 -1.131 7.751 1.00 0.00 O ATOM 600 CB THR A 36 -7.086 -0.552 10.242 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.549 0.726 9.951 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.306 -1.123 11.407 1.00 0.00 C ATOM 0 H THR A 36 -5.072 -0.852 8.698 1.00 0.00 H new ATOM 0 HA THR A 36 -7.485 -2.418 9.253 1.00 0.00 H new ATOM 0 HB THR A 36 -8.136 -0.483 10.526 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.855 0.946 10.607 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.365 -0.440 12.254 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.727 -2.088 11.689 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.263 -1.253 11.118 1.00 0.00 H new ATOM 610 N GLU A 37 -7.285 0.055 7.111 1.00 0.00 N ATOM 611 CA GLU A 37 -7.976 0.723 6.013 1.00 0.00 C ATOM 612 C GLU A 37 -9.160 1.533 6.529 1.00 0.00 C ATOM 613 O GLU A 37 -10.310 1.269 6.174 1.00 0.00 O ATOM 614 CB GLU A 37 -8.451 -0.304 4.983 1.00 0.00 C ATOM 615 CG GLU A 37 -7.413 -1.367 4.657 1.00 0.00 C ATOM 616 CD GLU A 37 -8.019 -2.586 3.989 1.00 0.00 C ATOM 617 OE1 GLU A 37 -9.220 -2.849 4.209 1.00 0.00 O ATOM 618 OE2 GLU A 37 -7.291 -3.279 3.246 1.00 0.00 O ATOM 0 H GLU A 37 -6.306 0.321 7.216 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.274 1.407 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.352 -0.791 5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.727 0.216 4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.653 -0.939 4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.910 -1.672 5.575 1.00 0.00 H new ATOM 625 N GLN A 38 -8.873 2.517 7.374 1.00 0.00 N ATOM 626 CA GLN A 38 -9.919 3.363 7.944 1.00 0.00 C ATOM 627 C GLN A 38 -10.363 4.447 6.961 1.00 0.00 C ATOM 628 O GLN A 38 -11.547 4.540 6.634 1.00 0.00 O ATOM 629 CB GLN A 38 -9.449 4.002 9.256 1.00 0.00 C ATOM 630 CG GLN A 38 -8.412 3.180 10.007 1.00 0.00 C ATOM 631 CD GLN A 38 -8.405 3.472 11.496 1.00 0.00 C ATOM 632 OE1 GLN A 38 -9.256 4.203 12.002 1.00 0.00 O ATOM 633 NE2 GLN A 38 -7.439 2.899 12.206 1.00 0.00 N ATOM 0 H GLN A 38 -7.928 2.749 7.680 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.776 2.723 8.152 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.031 4.985 9.040 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.313 4.157 9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.610 2.120 9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.424 3.385 9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.754 2.300 11.745 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.382 3.058 13.212 1.00 0.00 H new ATOM 642 N PRO A 39 -9.430 5.288 6.473 1.00 0.00 N ATOM 643 CA PRO A 39 -9.766 6.360 5.530 1.00 0.00 C ATOM 644 C PRO A 39 -10.237 5.819 4.179 1.00 0.00 C ATOM 645 O PRO A 39 -11.436 5.653 3.958 1.00 0.00 O ATOM 646 CB PRO A 39 -8.457 7.146 5.388 1.00 0.00 C ATOM 647 CG PRO A 39 -7.384 6.188 5.778 1.00 0.00 C ATOM 648 CD PRO A 39 -7.990 5.267 6.800 1.00 0.00 C ATOM 0 HA PRO A 39 -10.595 6.972 5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.318 7.499 4.366 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.453 8.025 6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.029 5.628 4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.524 6.715 6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.577 4.261 6.728 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.804 5.617 7.816 1.00 0.00 H new ATOM 656 N LEU A 40 -9.292 5.540 3.278 1.00 0.00 N ATOM 657 CA LEU A 40 -9.618 5.014 1.955 1.00 0.00 C ATOM 658 C LEU A 40 -10.790 5.764 1.324 1.00 0.00 C ATOM 659 O LEU A 40 -11.951 5.415 1.540 1.00 0.00 O ATOM 660 CB LEU A 40 -9.941 3.523 2.049 1.00 0.00 C ATOM 661 CG LEU A 40 -8.734 2.616 2.290 1.00 0.00 C ATOM 662 CD1 LEU A 40 -7.762 2.703 1.126 1.00 0.00 C ATOM 663 CD2 LEU A 40 -8.043 2.980 3.595 1.00 0.00 C ATOM 0 H LEU A 40 -8.294 5.671 3.443 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.747 5.158 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.658 3.372 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.431 3.213 1.126 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.086 1.587 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.909 2.051 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.263 2.390 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.416 3.731 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.187 2.323 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.703 4.015 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.743 2.863 4.422 1.00 0.00 H new ATOM 675 N ALA A 41 -10.476 6.792 0.543 1.00 0.00 N ATOM 676 CA ALA A 41 -11.502 7.588 -0.122 1.00 0.00 C ATOM 677 C ALA A 41 -12.356 6.718 -1.042 1.00 0.00 C ATOM 678 O ALA A 41 -11.987 5.587 -1.355 1.00 0.00 O ATOM 679 CB ALA A 41 -10.858 8.721 -0.908 1.00 0.00 C ATOM 0 H ALA A 41 -9.520 7.094 0.355 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.154 8.014 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.633 9.309 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.294 9.360 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.185 8.306 -1.659 1.00 0.00 H new ATOM 685 N PRO A 42 -13.513 7.236 -1.491 1.00 0.00 N ATOM 686 CA PRO A 42 -14.414 6.498 -2.381 1.00 0.00 C ATOM 687 C PRO A 42 -13.706 6.005 -3.637 1.00 0.00 C ATOM 688 O PRO A 42 -13.498 4.805 -3.813 1.00 0.00 O ATOM 689 CB PRO A 42 -15.502 7.523 -2.741 1.00 0.00 C ATOM 690 CG PRO A 42 -14.954 8.847 -2.327 1.00 0.00 C ATOM 691 CD PRO A 42 -14.032 8.574 -1.176 1.00 0.00 C ATOM 0 HA PRO A 42 -14.808 5.601 -1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.720 7.505 -3.809 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -16.435 7.304 -2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.420 9.322 -3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -15.755 9.525 -2.033 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.234 9.314 -1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -14.559 8.590 -0.222 1.00 0.00 H new ATOM 699 N LYS A 43 -13.330 6.939 -4.505 1.00 0.00 N ATOM 700 CA LYS A 43 -12.640 6.596 -5.742 1.00 0.00 C ATOM 701 C LYS A 43 -11.282 5.968 -5.447 1.00 0.00 C ATOM 702 O LYS A 43 -10.795 5.130 -6.206 1.00 0.00 O ATOM 703 CB LYS A 43 -12.461 7.839 -6.617 1.00 0.00 C ATOM 704 CG LYS A 43 -11.972 9.058 -5.850 1.00 0.00 C ATOM 705 CD LYS A 43 -13.077 10.088 -5.673 1.00 0.00 C ATOM 706 CE LYS A 43 -13.464 10.725 -6.998 1.00 0.00 C ATOM 707 NZ LYS A 43 -14.796 11.386 -6.929 1.00 0.00 N ATOM 0 H LYS A 43 -13.492 7.938 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.250 5.870 -6.279 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.752 7.613 -7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.412 8.077 -7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.602 8.749 -4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.134 9.510 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.951 9.612 -5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.747 10.861 -4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.709 11.458 -7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.477 9.963 -7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.023 11.808 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.521 10.682 -6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.777 12.131 -6.204 1.00 0.00 H new ATOM 721 N TYR A 44 -10.676 6.376 -4.336 1.00 0.00 N ATOM 722 CA TYR A 44 -9.374 5.851 -3.935 1.00 0.00 C ATOM 723 C TYR A 44 -9.512 4.936 -2.722 1.00 0.00 C ATOM 724 O TYR A 44 -8.860 5.140 -1.699 1.00 0.00 O ATOM 725 CB TYR A 44 -8.411 6.999 -3.618 1.00 0.00 C ATOM 726 CG TYR A 44 -8.533 8.177 -4.558 1.00 0.00 C ATOM 727 CD1 TYR A 44 -8.062 8.100 -5.863 1.00 0.00 C ATOM 728 CD2 TYR A 44 -9.118 9.364 -4.140 1.00 0.00 C ATOM 729 CE1 TYR A 44 -8.171 9.174 -6.726 1.00 0.00 C ATOM 730 CE2 TYR A 44 -9.232 10.443 -4.996 1.00 0.00 C ATOM 731 CZ TYR A 44 -8.758 10.343 -6.287 1.00 0.00 C ATOM 732 OH TYR A 44 -8.869 11.415 -7.142 1.00 0.00 O ATOM 0 H TYR A 44 -11.066 7.069 -3.697 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.971 5.270 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -8.591 7.340 -2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.389 6.623 -3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.603 7.186 -6.209 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.490 9.446 -3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.799 9.099 -7.737 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.690 11.360 -4.656 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.307 12.159 -6.678 1.00 0.00 H new ATOM 742 N LYS A 45 -10.366 3.925 -2.845 1.00 0.00 N ATOM 743 CA LYS A 45 -10.590 2.979 -1.763 1.00 0.00 C ATOM 744 C LYS A 45 -9.764 1.712 -1.972 1.00 0.00 C ATOM 745 O LYS A 45 -8.809 1.704 -2.748 1.00 0.00 O ATOM 746 CB LYS A 45 -12.080 2.634 -1.667 1.00 0.00 C ATOM 747 CG LYS A 45 -12.653 2.792 -0.269 1.00 0.00 C ATOM 748 CD LYS A 45 -14.143 3.089 -0.306 1.00 0.00 C ATOM 749 CE LYS A 45 -14.965 1.810 -0.305 1.00 0.00 C ATOM 750 NZ LYS A 45 -15.374 1.412 -1.682 1.00 0.00 N ATOM 0 H LYS A 45 -10.914 3.741 -3.685 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.273 3.441 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.637 3.272 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.228 1.606 -1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.477 1.880 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.133 3.598 0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.415 3.699 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.377 3.673 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.385 1.006 0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.853 1.949 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.932 0.536 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.949 2.168 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.527 1.254 -2.264 1.00 0.00 H new ATOM 764 N ASP A 46 -10.140 0.644 -1.278 1.00 0.00 N ATOM 765 CA ASP A 46 -9.434 -0.628 -1.388 1.00 0.00 C ATOM 766 C ASP A 46 -10.320 -1.687 -2.037 1.00 0.00 C ATOM 767 O ASP A 46 -11.546 -1.603 -1.983 1.00 0.00 O ATOM 768 CB ASP A 46 -8.978 -1.104 -0.008 1.00 0.00 C ATOM 769 CG ASP A 46 -8.038 -2.290 -0.086 1.00 0.00 C ATOM 770 OD1 ASP A 46 -7.326 -2.417 -1.105 1.00 0.00 O ATOM 771 OD2 ASP A 46 -8.012 -3.092 0.870 1.00 0.00 O ATOM 0 H ASP A 46 -10.930 0.633 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.558 -0.475 -2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.481 -0.284 0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.851 -1.374 0.586 1.00 0.00 H new ATOM 776 N HIS A 47 -9.688 -2.684 -2.649 1.00 0.00 N ATOM 777 CA HIS A 47 -10.420 -3.759 -3.309 1.00 0.00 C ATOM 778 C HIS A 47 -9.497 -4.936 -3.615 1.00 0.00 C ATOM 779 O HIS A 47 -8.318 -4.749 -3.917 1.00 0.00 O ATOM 780 CB HIS A 47 -11.061 -3.249 -4.600 1.00 0.00 C ATOM 781 CG HIS A 47 -10.066 -2.778 -5.617 1.00 0.00 C ATOM 782 ND1 HIS A 47 -9.090 -1.844 -5.337 1.00 0.00 N ATOM 783 CD2 HIS A 47 -9.899 -3.117 -6.918 1.00 0.00 C ATOM 784 CE1 HIS A 47 -8.366 -1.629 -6.421 1.00 0.00 C ATOM 785 NE2 HIS A 47 -8.837 -2.389 -7.394 1.00 0.00 N ATOM 0 H HIS A 47 -8.673 -2.770 -2.701 1.00 0.00 H new ATOM 0 HA HIS A 47 -11.204 -4.101 -2.633 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.664 -4.045 -5.036 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.739 -2.430 -4.360 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.491 -3.827 -7.476 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -7.531 -0.948 -6.499 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -8.471 -2.428 -8.345 1.00 0.00 H new ATOM 794 N PRO A 48 -10.021 -6.173 -3.537 1.00 0.00 N ATOM 795 CA PRO A 48 -9.237 -7.381 -3.808 1.00 0.00 C ATOM 796 C PRO A 48 -8.945 -7.560 -5.294 1.00 0.00 C ATOM 797 O PRO A 48 -9.632 -6.995 -6.144 1.00 0.00 O ATOM 798 CB PRO A 48 -10.137 -8.505 -3.299 1.00 0.00 C ATOM 799 CG PRO A 48 -11.521 -7.969 -3.433 1.00 0.00 C ATOM 800 CD PRO A 48 -11.419 -6.489 -3.182 1.00 0.00 C ATOM 0 HA PRO A 48 -8.258 -7.351 -3.329 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.006 -9.414 -3.886 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.908 -8.758 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.922 -8.169 -4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.193 -8.441 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.125 -5.929 -3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.634 -6.243 -2.142 1.00 0.00 H new ATOM 808 N LEU A 49 -7.922 -8.351 -5.599 1.00 0.00 N ATOM 809 CA LEU A 49 -7.540 -8.606 -6.983 1.00 0.00 C ATOM 810 C LEU A 49 -8.297 -9.805 -7.544 1.00 0.00 C ATOM 811 O LEU A 49 -8.806 -9.763 -8.665 1.00 0.00 O ATOM 812 CB LEU A 49 -6.031 -8.847 -7.082 1.00 0.00 C ATOM 813 CG LEU A 49 -5.202 -7.614 -7.461 1.00 0.00 C ATOM 814 CD1 LEU A 49 -4.181 -7.299 -6.379 1.00 0.00 C ATOM 815 CD2 LEU A 49 -4.514 -7.824 -8.801 1.00 0.00 C ATOM 0 H LEU A 49 -7.343 -8.826 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.800 -7.727 -7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.675 -9.225 -6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.851 -9.629 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.877 -6.763 -7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.604 -6.421 -6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.696 -7.101 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.510 -8.149 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.931 -6.939 -9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.853 -8.689 -8.739 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.265 -7.996 -9.572 1.00 0.00 H new ATOM 827 N LYS A 50 -8.370 -10.875 -6.757 1.00 0.00 N ATOM 828 CA LYS A 50 -9.065 -12.088 -7.172 1.00 0.00 C ATOM 829 C LYS A 50 -8.398 -12.704 -8.398 1.00 0.00 C ATOM 830 O LYS A 50 -7.933 -11.993 -9.288 1.00 0.00 O ATOM 831 CB LYS A 50 -10.535 -11.781 -7.471 1.00 0.00 C ATOM 832 CG LYS A 50 -11.484 -12.222 -6.368 1.00 0.00 C ATOM 833 CD LYS A 50 -12.930 -12.205 -6.837 1.00 0.00 C ATOM 834 CE LYS A 50 -13.531 -10.812 -6.746 1.00 0.00 C ATOM 835 NZ LYS A 50 -13.804 -10.235 -8.092 1.00 0.00 N ATOM 0 H LYS A 50 -7.955 -10.926 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.012 -12.807 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.649 -10.709 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.819 -12.273 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.219 -13.227 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.372 -11.564 -5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.983 -12.558 -7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.518 -12.896 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.458 -10.853 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.850 -10.158 -6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.213 -9.285 -7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.916 -10.171 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.474 -10.845 -8.602 1.00 0.00 H new ATOM 849 N GLY A 51 -8.355 -14.032 -8.437 1.00 0.00 N ATOM 850 CA GLY A 51 -7.744 -14.722 -9.557 1.00 0.00 C ATOM 851 C GLY A 51 -6.454 -15.419 -9.172 1.00 0.00 C ATOM 852 O GLY A 51 -5.512 -15.476 -9.963 1.00 0.00 O ATOM 0 H GLY A 51 -8.733 -14.642 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.445 -15.455 -9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.543 -14.007 -10.355 1.00 0.00 H new ATOM 856 N GLY A 52 -6.411 -15.952 -7.955 1.00 0.00 N ATOM 857 CA GLY A 52 -5.222 -16.641 -7.489 1.00 0.00 C ATOM 858 C GLY A 52 -4.388 -15.788 -6.554 1.00 0.00 C ATOM 859 O GLY A 52 -3.785 -16.300 -5.610 1.00 0.00 O ATOM 0 H GLY A 52 -7.178 -15.919 -7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.514 -17.558 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.616 -16.934 -8.346 1.00 0.00 H new ATOM 863 N LEU A 53 -4.354 -14.485 -6.815 1.00 0.00 N ATOM 864 CA LEU A 53 -3.587 -13.560 -5.989 1.00 0.00 C ATOM 865 C LEU A 53 -4.448 -12.997 -4.862 1.00 0.00 C ATOM 866 O LEU A 53 -4.540 -11.782 -4.684 1.00 0.00 O ATOM 867 CB LEU A 53 -3.031 -12.419 -6.845 1.00 0.00 C ATOM 868 CG LEU A 53 -2.516 -12.835 -8.225 1.00 0.00 C ATOM 869 CD1 LEU A 53 -3.565 -12.562 -9.291 1.00 0.00 C ATOM 870 CD2 LEU A 53 -1.220 -12.108 -8.552 1.00 0.00 C ATOM 0 H LEU A 53 -4.849 -14.046 -7.592 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.756 -14.109 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.812 -11.670 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.218 -11.940 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.315 -13.906 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.181 -12.864 -10.265 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.469 -13.128 -9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.799 -11.497 -9.307 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.868 -12.416 -9.537 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.396 -11.032 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.466 -12.354 -7.804 1.00 0.00 H new ATOM 882 N LYS A 54 -5.076 -13.887 -4.102 1.00 0.00 N ATOM 883 CA LYS A 54 -5.928 -13.479 -2.991 1.00 0.00 C ATOM 884 C LYS A 54 -5.133 -12.682 -1.961 1.00 0.00 C ATOM 885 O LYS A 54 -5.654 -11.757 -1.339 1.00 0.00 O ATOM 886 CB LYS A 54 -6.562 -14.703 -2.329 1.00 0.00 C ATOM 887 CG LYS A 54 -7.271 -15.626 -3.306 1.00 0.00 C ATOM 888 CD LYS A 54 -8.608 -16.100 -2.759 1.00 0.00 C ATOM 889 CE LYS A 54 -9.601 -16.376 -3.875 1.00 0.00 C ATOM 890 NZ LYS A 54 -9.711 -15.229 -4.819 1.00 0.00 N ATOM 0 H LYS A 54 -5.011 -14.896 -4.235 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.718 -12.841 -3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.787 -15.266 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.275 -14.369 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.428 -15.105 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.638 -16.488 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.461 -17.005 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.015 -15.345 -2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.294 -17.268 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.580 -16.587 -3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.684 -15.171 -5.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.474 -14.347 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.053 -15.368 -5.612 1.00 0.00 H new ATOM 904 N ASP A 55 -3.868 -13.050 -1.786 1.00 0.00 N ATOM 905 CA ASP A 55 -3.000 -12.370 -0.832 1.00 0.00 C ATOM 906 C ASP A 55 -2.745 -10.929 -1.261 1.00 0.00 C ATOM 907 O ASP A 55 -2.719 -10.020 -0.432 1.00 0.00 O ATOM 908 CB ASP A 55 -1.672 -13.118 -0.697 1.00 0.00 C ATOM 909 CG ASP A 55 -1.062 -12.970 0.683 1.00 0.00 C ATOM 910 OD1 ASP A 55 -1.294 -11.925 1.325 1.00 0.00 O ATOM 911 OD2 ASP A 55 -0.352 -13.899 1.122 1.00 0.00 O ATOM 0 H ASP A 55 -3.422 -13.815 -2.292 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.502 -12.358 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.831 -14.175 -0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.971 -12.745 -1.443 1.00 0.00 H new ATOM 916 N PHE A 56 -2.555 -10.730 -2.561 1.00 0.00 N ATOM 917 CA PHE A 56 -2.302 -9.399 -3.101 1.00 0.00 C ATOM 918 C PHE A 56 -3.513 -8.492 -2.903 1.00 0.00 C ATOM 919 O PHE A 56 -4.635 -8.968 -2.737 1.00 0.00 O ATOM 920 CB PHE A 56 -1.953 -9.486 -4.588 1.00 0.00 C ATOM 921 CG PHE A 56 -0.481 -9.632 -4.852 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.356 -8.529 -4.808 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.064 -10.873 -5.141 1.00 0.00 C ATOM 924 CE1 PHE A 56 1.711 -8.659 -5.051 1.00 0.00 C ATOM 925 CE2 PHE A 56 1.418 -11.010 -5.384 1.00 0.00 C ATOM 926 CZ PHE A 56 2.242 -9.902 -5.339 1.00 0.00 C ATOM 0 H PHE A 56 -2.571 -11.473 -3.260 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.457 -8.970 -2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.478 -10.334 -5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.317 -8.590 -5.091 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.055 -7.556 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.576 -11.742 -5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.353 -7.791 -5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.831 -11.982 -5.609 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.300 -10.007 -5.529 1.00 0.00 H new ATOM 936 N ARG A 57 -3.275 -7.185 -2.923 1.00 0.00 N ATOM 937 CA ARG A 57 -4.347 -6.212 -2.745 1.00 0.00 C ATOM 938 C ARG A 57 -3.878 -4.811 -3.128 1.00 0.00 C ATOM 939 O ARG A 57 -2.769 -4.401 -2.788 1.00 0.00 O ATOM 940 CB ARG A 57 -4.838 -6.222 -1.295 1.00 0.00 C ATOM 941 CG ARG A 57 -6.194 -6.883 -1.116 1.00 0.00 C ATOM 942 CD ARG A 57 -6.624 -6.882 0.342 1.00 0.00 C ATOM 943 NE ARG A 57 -8.078 -6.929 0.484 1.00 0.00 N ATOM 944 CZ ARG A 57 -8.818 -7.997 0.193 1.00 0.00 C ATOM 945 NH1 ARG A 57 -8.246 -9.108 -0.255 1.00 0.00 N ATOM 946 NH2 ARG A 57 -10.133 -7.955 0.351 1.00 0.00 N ATOM 0 H ARG A 57 -2.351 -6.775 -3.060 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.171 -6.491 -3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.106 -6.741 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.893 -5.196 -0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.938 -6.359 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.152 -7.908 -1.484 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.182 -7.739 0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.241 -5.987 0.832 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.554 -6.094 0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.234 -9.147 -0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.818 -9.923 -0.476 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.578 -7.104 0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.700 -8.773 0.128 1.00 0.00 H new ATOM 960 N GLU A 58 -4.732 -4.080 -3.837 1.00 0.00 N ATOM 961 CA GLU A 58 -4.407 -2.725 -4.265 1.00 0.00 C ATOM 962 C GLU A 58 -5.241 -1.699 -3.504 1.00 0.00 C ATOM 963 O GLU A 58 -6.462 -1.826 -3.406 1.00 0.00 O ATOM 964 CB GLU A 58 -4.639 -2.570 -5.769 1.00 0.00 C ATOM 965 CG GLU A 58 -4.290 -1.190 -6.301 1.00 0.00 C ATOM 966 CD GLU A 58 -4.172 -1.159 -7.813 1.00 0.00 C ATOM 967 OE1 GLU A 58 -5.134 -1.574 -8.493 1.00 0.00 O ATOM 968 OE2 GLU A 58 -3.115 -0.724 -8.316 1.00 0.00 O ATOM 0 H GLU A 58 -5.655 -4.404 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.354 -2.547 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.045 -3.315 -6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.685 -2.781 -5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.054 -0.479 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.348 -0.862 -5.860 1.00 0.00 H new ATOM 975 N CYS A 59 -4.575 -0.683 -2.966 1.00 0.00 N ATOM 976 CA CYS A 59 -5.255 0.363 -2.212 1.00 0.00 C ATOM 977 C CYS A 59 -4.591 1.718 -2.443 1.00 0.00 C ATOM 978 O CYS A 59 -3.564 1.811 -3.115 1.00 0.00 O ATOM 979 CB CYS A 59 -5.254 0.029 -0.720 1.00 0.00 C ATOM 980 SG CYS A 59 -3.607 -0.027 0.024 1.00 0.00 S ATOM 0 H CYS A 59 -3.565 -0.562 -3.038 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.285 0.418 -2.563 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.854 0.770 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.739 -0.936 -0.575 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.263 -1.265 0.224 1.00 0.00 H new ATOM 986 N HIS A 60 -5.186 2.764 -1.880 1.00 0.00 N ATOM 987 CA HIS A 60 -4.652 4.115 -2.024 1.00 0.00 C ATOM 988 C HIS A 60 -4.524 4.795 -0.666 1.00 0.00 C ATOM 989 O HIS A 60 -5.473 5.409 -0.175 1.00 0.00 O ATOM 990 CB HIS A 60 -5.551 4.943 -2.942 1.00 0.00 C ATOM 991 CG HIS A 60 -5.932 4.235 -4.205 1.00 0.00 C ATOM 992 ND1 HIS A 60 -5.107 4.162 -5.307 1.00 0.00 N ATOM 993 CD2 HIS A 60 -7.059 3.562 -4.537 1.00 0.00 C ATOM 994 CE1 HIS A 60 -5.708 3.477 -6.262 1.00 0.00 C ATOM 995 NE2 HIS A 60 -6.895 3.101 -5.821 1.00 0.00 N ATOM 0 H HIS A 60 -6.037 2.703 -1.321 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.659 4.044 -2.468 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.457 5.215 -2.400 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.040 5.872 -3.196 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.176 4.574 -5.374 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.926 3.415 -3.909 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.299 3.261 -7.238 1.00 0.00 H new ATOM 1004 N LEU A 61 -3.345 4.683 -0.063 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.091 5.289 1.240 1.00 0.00 C ATOM 1006 C LEU A 61 -3.292 6.800 1.186 1.00 0.00 C ATOM 1007 O LEU A 61 -3.746 7.411 2.153 1.00 0.00 O ATOM 1008 CB LEU A 61 -1.670 4.967 1.705 1.00 0.00 C ATOM 1009 CG LEU A 61 -0.568 5.285 0.689 1.00 0.00 C ATOM 1010 CD1 LEU A 61 0.406 6.308 1.253 1.00 0.00 C ATOM 1011 CD2 LEU A 61 0.167 4.015 0.282 1.00 0.00 C ATOM 0 H LEU A 61 -2.550 4.178 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.803 4.872 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.469 5.522 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.617 3.908 1.956 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.035 5.712 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.180 6.519 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.129 7.227 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.866 5.912 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.946 4.261 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.619 3.558 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.537 3.315 -0.168 1.00 0.00 H new ATOM 1023 N LYS A 62 -2.950 7.395 0.048 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.093 8.835 -0.135 1.00 0.00 C ATOM 1025 C LYS A 62 -4.209 9.144 -1.132 1.00 0.00 C ATOM 1026 O LYS A 62 -4.662 8.263 -1.860 1.00 0.00 O ATOM 1027 CB LYS A 62 -1.774 9.441 -0.617 1.00 0.00 C ATOM 1028 CG LYS A 62 -0.895 9.960 0.510 1.00 0.00 C ATOM 1029 CD LYS A 62 -0.741 11.473 0.456 1.00 0.00 C ATOM 1030 CE LYS A 62 -1.506 12.154 1.579 1.00 0.00 C ATOM 1031 NZ LYS A 62 -1.509 13.636 1.431 1.00 0.00 N ATOM 0 H LYS A 62 -2.572 6.903 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.355 9.278 0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.222 8.688 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.989 10.259 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.326 9.673 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.088 9.492 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.315 11.734 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.100 11.842 -0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.533 11.789 1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.060 11.886 2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.041 14.062 2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.531 13.988 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.958 13.894 0.529 1.00 0.00 H new ATOM 1045 N PRO A 63 -4.669 10.408 -1.175 1.00 0.00 N ATOM 1046 CA PRO A 63 -5.739 10.827 -2.087 1.00 0.00 C ATOM 1047 C PRO A 63 -5.340 10.719 -3.557 1.00 0.00 C ATOM 1048 O PRO A 63 -6.187 10.807 -4.446 1.00 0.00 O ATOM 1049 CB PRO A 63 -5.990 12.290 -1.707 1.00 0.00 C ATOM 1050 CG PRO A 63 -4.736 12.734 -1.037 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.189 11.522 -0.339 1.00 0.00 C ATOM 0 HA PRO A 63 -6.618 10.191 -1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.203 12.896 -2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.848 12.383 -1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.022 13.122 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.936 13.536 -0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.101 11.545 -0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.557 11.446 0.684 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.049 10.528 -3.808 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.549 10.409 -5.174 1.00 0.00 C ATOM 1061 C ASP A 64 -2.316 9.511 -5.228 1.00 0.00 C ATOM 1062 O ASP A 64 -1.216 9.964 -5.546 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.215 11.792 -5.737 1.00 0.00 C ATOM 1064 CG ASP A 64 -3.514 11.899 -7.220 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -3.249 10.922 -7.951 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -4.013 12.960 -7.650 1.00 0.00 O ATOM 0 H ASP A 64 -3.332 10.452 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.331 9.955 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.786 12.548 -5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.160 12.006 -5.565 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.506 8.233 -4.915 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.409 7.271 -4.930 1.00 0.00 C ATOM 1073 C LEU A 65 -1.941 5.840 -4.928 1.00 0.00 C ATOM 1074 O LEU A 65 -3.083 5.591 -4.541 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.496 7.492 -3.722 1.00 0.00 C ATOM 1076 CG LEU A 65 0.840 8.174 -4.034 1.00 0.00 C ATOM 1077 CD1 LEU A 65 0.777 9.658 -3.697 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.973 7.499 -3.274 1.00 0.00 C ATOM 0 H LEU A 65 -3.408 7.840 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.834 7.423 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.031 8.094 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.294 6.527 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 65 1.035 8.075 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.735 10.124 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.007 10.132 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.558 9.781 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.915 7.996 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.783 7.566 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.034 6.451 -3.567 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.104 4.903 -5.362 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.487 3.495 -5.408 1.00 0.00 C ATOM 1092 C LEU A 66 -0.614 2.665 -4.474 1.00 0.00 C ATOM 1093 O LEU A 66 0.388 3.153 -3.950 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.377 2.957 -6.837 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.733 3.959 -7.940 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.497 4.335 -8.745 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.811 3.392 -8.852 1.00 0.00 C ATOM 0 H LEU A 66 -0.156 5.093 -5.687 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.523 3.417 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.357 2.609 -7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.029 2.089 -6.933 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.122 4.861 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.772 5.047 -9.523 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.244 4.787 -8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.076 3.441 -9.204 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.050 4.119 -9.629 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.451 2.473 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.706 3.178 -8.268 1.00 0.00 H new ATOM 1109 N LEU A 67 -0.997 1.409 -4.267 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.243 0.517 -3.395 1.00 0.00 C ATOM 1111 C LEU A 67 -0.742 -0.920 -3.518 1.00 0.00 C ATOM 1112 O LEU A 67 -1.700 -1.313 -2.851 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.346 0.982 -1.943 1.00 0.00 C ATOM 1114 CG LEU A 67 0.694 0.378 -0.996 1.00 0.00 C ATOM 1115 CD1 LEU A 67 2.075 0.940 -1.289 1.00 0.00 C ATOM 1116 CD2 LEU A 67 0.306 0.634 0.452 1.00 0.00 C ATOM 0 H LEU A 67 -1.823 0.987 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 67 0.801 0.546 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.252 2.068 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.341 0.739 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 67 0.724 -0.699 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.800 0.498 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.354 0.704 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.063 2.022 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.056 0.198 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.247 1.708 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.664 0.180 0.655 1.00 0.00 H new ATOM 1128 N VAL A 68 -0.086 -1.700 -4.371 1.00 0.00 N ATOM 1129 CA VAL A 68 -0.461 -3.095 -4.578 1.00 0.00 C ATOM 1130 C VAL A 68 0.449 -4.027 -3.783 1.00 0.00 C ATOM 1131 O VAL A 68 1.261 -4.754 -4.355 1.00 0.00 O ATOM 1132 CB VAL A 68 -0.393 -3.474 -6.070 1.00 0.00 C ATOM 1133 CG1 VAL A 68 -0.907 -4.888 -6.289 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -1.178 -2.478 -6.910 1.00 0.00 C ATOM 0 H VAL A 68 0.708 -1.390 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.487 -3.208 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 68 0.650 -3.440 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.850 -5.136 -7.349 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.297 -5.589 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.943 -4.954 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.119 -2.762 -7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.221 -2.477 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.758 -1.481 -6.779 1.00 0.00 H new ATOM 1144 N TYR A 69 0.309 -4.000 -2.463 1.00 0.00 N ATOM 1145 CA TYR A 69 1.126 -4.836 -1.590 1.00 0.00 C ATOM 1146 C TYR A 69 0.475 -6.193 -1.347 1.00 0.00 C ATOM 1147 O TYR A 69 -0.664 -6.431 -1.746 1.00 0.00 O ATOM 1148 CB TYR A 69 1.366 -4.129 -0.252 1.00 0.00 C ATOM 1149 CG TYR A 69 0.108 -3.935 0.570 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -0.517 -5.014 1.186 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -0.451 -2.676 0.730 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -1.664 -4.840 1.936 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -1.598 -2.493 1.481 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.200 -3.577 2.080 1.00 0.00 C ATOM 1155 OH TYR A 69 -3.343 -3.401 2.828 1.00 0.00 O ATOM 0 H TYR A 69 -0.362 -3.409 -1.973 1.00 0.00 H new ATOM 0 HA TYR A 69 2.081 -5.002 -2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.084 -4.707 0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.819 -3.156 -0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.099 -6.004 1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.017 -1.824 0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.139 -5.688 2.407 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.019 -1.505 1.597 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.589 -2.452 2.831 1.00 0.00 H new ATOM 1165 N GLN A 70 1.214 -7.076 -0.684 1.00 0.00 N ATOM 1166 CA GLN A 70 0.722 -8.413 -0.376 1.00 0.00 C ATOM 1167 C GLN A 70 1.199 -8.857 1.003 1.00 0.00 C ATOM 1168 O GLN A 70 2.333 -8.584 1.397 1.00 0.00 O ATOM 1169 CB GLN A 70 1.194 -9.409 -1.438 1.00 0.00 C ATOM 1170 CG GLN A 70 0.638 -10.810 -1.248 1.00 0.00 C ATOM 1171 CD GLN A 70 1.569 -11.883 -1.778 1.00 0.00 C ATOM 1172 OE1 GLN A 70 1.092 -12.655 -2.748 1.00 0.00 O flip ATOM 1173 NE2 GLN A 70 2.703 -12.019 -1.320 1.00 0.00 N flip ATOM 0 H GLN A 70 2.159 -6.889 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.368 -8.385 -0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.904 -9.042 -2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.283 -9.454 -1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.455 -10.984 -0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -0.324 -10.887 -1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.029 -11.404 -0.575 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.317 -12.747 -1.686 1.00 0.00 H new ATOM 1182 N ILE A 71 0.323 -9.538 1.735 1.00 0.00 N ATOM 1183 CA ILE A 71 0.653 -10.014 3.072 1.00 0.00 C ATOM 1184 C ILE A 71 1.378 -11.354 3.021 1.00 0.00 C ATOM 1185 O ILE A 71 1.130 -12.175 2.137 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.608 -10.169 3.946 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -1.551 -8.972 3.770 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.220 -10.337 5.408 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.839 -7.647 3.590 1.00 0.00 C ATOM 0 H ILE A 71 -0.620 -9.772 1.424 1.00 0.00 H new ATOM 0 HA ILE A 71 1.307 -9.263 3.514 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.140 -11.064 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.190 -9.150 2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.204 -8.906 4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.120 -10.445 6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.401 -11.225 5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.337 -9.461 5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.575 -6.852 3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.222 -7.444 4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.207 -7.691 2.703 1.00 0.00 H new ATOM 1201 N LYS A 72 2.270 -11.571 3.982 1.00 0.00 N ATOM 1202 CA LYS A 72 3.026 -12.813 4.058 1.00 0.00 C ATOM 1203 C LYS A 72 2.799 -13.498 5.400 1.00 0.00 C ATOM 1204 O LYS A 72 3.546 -13.282 6.355 1.00 0.00 O ATOM 1205 CB LYS A 72 4.519 -12.543 3.854 1.00 0.00 C ATOM 1206 CG LYS A 72 5.074 -11.468 4.775 1.00 0.00 C ATOM 1207 CD LYS A 72 5.705 -10.326 3.992 1.00 0.00 C ATOM 1208 CE LYS A 72 7.221 -10.345 4.098 1.00 0.00 C ATOM 1209 NZ LYS A 72 7.798 -11.612 3.566 1.00 0.00 N ATOM 0 H LYS A 72 2.486 -10.901 4.720 1.00 0.00 H new ATOM 0 HA LYS A 72 2.676 -13.474 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.072 -13.468 4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.688 -12.246 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.273 -11.079 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.817 -11.907 5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.412 -10.397 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.326 -9.375 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.634 -9.499 3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.514 -10.222 5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.834 -11.533 3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.532 -12.402 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.431 -11.786 2.609 1.00 0.00 H new ATOM 1223 N LYS A 73 1.755 -14.320 5.466 1.00 0.00 N ATOM 1224 CA LYS A 73 1.416 -15.040 6.690 1.00 0.00 C ATOM 1225 C LYS A 73 2.615 -15.820 7.228 1.00 0.00 C ATOM 1226 O LYS A 73 2.684 -16.122 8.419 1.00 0.00 O ATOM 1227 CB LYS A 73 0.247 -15.995 6.436 1.00 0.00 C ATOM 1228 CG LYS A 73 -0.997 -15.307 5.901 1.00 0.00 C ATOM 1229 CD LYS A 73 -1.592 -14.355 6.927 1.00 0.00 C ATOM 1230 CE LYS A 73 -2.711 -13.518 6.327 1.00 0.00 C ATOM 1231 NZ LYS A 73 -3.849 -13.354 7.273 1.00 0.00 N ATOM 0 H LYS A 73 1.127 -14.504 4.683 1.00 0.00 H new ATOM 0 HA LYS A 73 1.125 -14.304 7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.562 -16.760 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.002 -16.506 7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.748 -14.757 4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.739 -16.057 5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.976 -14.924 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.811 -13.699 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.323 -12.537 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.066 -13.989 5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.591 -12.778 6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.236 -14.288 7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.516 -12.881 8.138 1.00 0.00 H new ATOM 1245 N GLN A 74 3.555 -16.146 6.343 1.00 0.00 N ATOM 1246 CA GLN A 74 4.750 -16.892 6.733 1.00 0.00 C ATOM 1247 C GLN A 74 5.383 -16.302 7.992 1.00 0.00 C ATOM 1248 O GLN A 74 5.950 -17.026 8.810 1.00 0.00 O ATOM 1249 CB GLN A 74 5.769 -16.894 5.591 1.00 0.00 C ATOM 1250 CG GLN A 74 7.018 -17.706 5.894 1.00 0.00 C ATOM 1251 CD GLN A 74 6.864 -19.170 5.529 1.00 0.00 C ATOM 1252 OE1 GLN A 74 5.749 -19.669 5.370 1.00 0.00 O ATOM 1253 NE2 GLN A 74 7.986 -19.868 5.394 1.00 0.00 N ATOM 0 H GLN A 74 3.513 -15.906 5.353 1.00 0.00 H new ATOM 0 HA GLN A 74 4.449 -17.917 6.949 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.296 -17.292 4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.058 -15.866 5.371 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.862 -17.286 5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.253 -17.623 6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.889 -19.415 5.535 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.945 -20.857 5.149 1.00 0.00 H new ATOM 1262 N GLU A 75 5.276 -14.986 8.139 1.00 0.00 N ATOM 1263 CA GLU A 75 5.834 -14.301 9.301 1.00 0.00 C ATOM 1264 C GLU A 75 5.012 -13.066 9.661 1.00 0.00 C ATOM 1265 O GLU A 75 5.499 -12.165 10.344 1.00 0.00 O ATOM 1266 CB GLU A 75 7.286 -13.899 9.031 1.00 0.00 C ATOM 1267 CG GLU A 75 7.502 -13.282 7.660 1.00 0.00 C ATOM 1268 CD GLU A 75 8.970 -13.083 7.334 1.00 0.00 C ATOM 1269 OE1 GLU A 75 9.794 -13.907 7.783 1.00 0.00 O ATOM 1270 OE2 GLU A 75 9.295 -12.102 6.632 1.00 0.00 O ATOM 0 H GLU A 75 4.809 -14.373 7.470 1.00 0.00 H new ATOM 0 HA GLU A 75 5.802 -14.991 10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.605 -13.189 9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.922 -14.779 9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.049 -13.922 6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.990 -12.321 7.613 1.00 0.00 H new ATOM 1277 N ASN A 76 3.761 -13.029 9.200 1.00 0.00 N ATOM 1278 CA ASN A 76 2.873 -11.903 9.479 1.00 0.00 C ATOM 1279 C ASN A 76 3.572 -10.570 9.223 1.00 0.00 C ATOM 1280 O ASN A 76 3.842 -9.810 10.153 1.00 0.00 O ATOM 1281 CB ASN A 76 2.376 -11.964 10.925 1.00 0.00 C ATOM 1282 CG ASN A 76 1.105 -12.778 11.067 1.00 0.00 C ATOM 1283 OD1 ASN A 76 1.041 -13.932 10.638 1.00 0.00 O ATOM 1284 ND2 ASN A 76 0.084 -12.181 11.668 1.00 0.00 N ATOM 0 H ASN A 76 3.342 -13.766 8.633 1.00 0.00 H new ATOM 0 HA ASN A 76 2.020 -11.975 8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.153 -12.396 11.555 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.198 -10.952 11.288 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.798 -12.679 11.790 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.181 -11.224 12.008 1.00 0.00 H new ATOM 1291 N THR A 77 3.865 -10.293 7.955 1.00 0.00 N ATOM 1292 CA THR A 77 4.535 -9.052 7.580 1.00 0.00 C ATOM 1293 C THR A 77 3.853 -8.402 6.379 1.00 0.00 C ATOM 1294 O THR A 77 3.272 -9.085 5.535 1.00 0.00 O ATOM 1295 CB THR A 77 6.012 -9.322 7.269 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.731 -9.596 8.459 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.708 -8.172 6.570 1.00 0.00 C ATOM 0 H THR A 77 3.649 -10.910 7.172 1.00 0.00 H new ATOM 0 HA THR A 77 4.469 -8.362 8.421 1.00 0.00 H new ATOM 0 HB THR A 77 6.008 -10.180 6.597 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.671 -9.767 8.241 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.749 -8.436 6.383 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.210 -7.967 5.623 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.667 -7.284 7.201 1.00 0.00 H new ATOM 1305 N LEU A 78 3.935 -7.077 6.307 1.00 0.00 N ATOM 1306 CA LEU A 78 3.334 -6.330 5.210 1.00 0.00 C ATOM 1307 C LEU A 78 4.402 -5.909 4.205 1.00 0.00 C ATOM 1308 O LEU A 78 5.130 -4.942 4.425 1.00 0.00 O ATOM 1309 CB LEU A 78 2.603 -5.097 5.742 1.00 0.00 C ATOM 1310 CG LEU A 78 1.336 -4.715 4.974 1.00 0.00 C ATOM 1311 CD1 LEU A 78 0.690 -3.483 5.590 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.656 -4.475 3.508 1.00 0.00 C ATOM 0 H LEU A 78 4.413 -6.498 6.998 1.00 0.00 H new ATOM 0 HA LEU A 78 2.614 -6.976 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.339 -5.272 6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.289 -4.251 5.725 1.00 0.00 H new ATOM 0 HG LEU A 78 0.629 -5.542 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.210 -3.226 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.426 -3.691 6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.390 -2.649 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.744 -4.204 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.380 -3.665 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.074 -5.383 3.073 1.00 0.00 H new ATOM 1324 N PHE A 79 4.496 -6.649 3.105 1.00 0.00 N ATOM 1325 CA PHE A 79 5.481 -6.357 2.070 1.00 0.00 C ATOM 1326 C PHE A 79 4.883 -5.470 0.979 1.00 0.00 C ATOM 1327 O PHE A 79 4.000 -5.894 0.234 1.00 0.00 O ATOM 1328 CB PHE A 79 6.012 -7.669 1.475 1.00 0.00 C ATOM 1329 CG PHE A 79 6.662 -7.523 0.127 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.558 -6.495 -0.120 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.377 -8.417 -0.893 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.158 -6.362 -1.357 1.00 0.00 C ATOM 1333 CE2 PHE A 79 6.973 -8.288 -2.133 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.864 -7.260 -2.365 1.00 0.00 C ATOM 0 H PHE A 79 3.902 -7.455 2.907 1.00 0.00 H new ATOM 0 HA PHE A 79 6.310 -5.812 2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.734 -8.102 2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.187 -8.376 1.392 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.790 -5.789 0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.681 -9.224 -0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.856 -5.557 -1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.742 -8.991 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.331 -7.158 -3.333 1.00 0.00 H new ATOM 1344 N LEU A 80 5.375 -4.237 0.893 1.00 0.00 N ATOM 1345 CA LEU A 80 4.894 -3.287 -0.106 1.00 0.00 C ATOM 1346 C LEU A 80 5.283 -3.738 -1.511 1.00 0.00 C ATOM 1347 O LEU A 80 5.983 -4.736 -1.681 1.00 0.00 O ATOM 1348 CB LEU A 80 5.461 -1.893 0.170 1.00 0.00 C ATOM 1349 CG LEU A 80 5.376 -1.436 1.628 1.00 0.00 C ATOM 1350 CD1 LEU A 80 5.947 -0.035 1.782 1.00 0.00 C ATOM 1351 CD2 LEU A 80 3.936 -1.483 2.117 1.00 0.00 C ATOM 0 H LEU A 80 6.107 -3.872 1.503 1.00 0.00 H new ATOM 0 HA LEU A 80 3.807 -3.247 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.506 -1.874 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.931 -1.172 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 80 5.969 -2.117 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.878 0.273 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.992 -0.032 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.381 0.659 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.894 -1.155 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.322 -0.824 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.560 -2.503 2.043 1.00 0.00 H new ATOM 1363 N VAL A 81 4.815 -3.005 -2.516 1.00 0.00 N ATOM 1364 CA VAL A 81 5.108 -3.339 -3.904 1.00 0.00 C ATOM 1365 C VAL A 81 5.157 -2.086 -4.782 1.00 0.00 C ATOM 1366 O VAL A 81 6.228 -1.528 -5.017 1.00 0.00 O ATOM 1367 CB VAL A 81 4.062 -4.326 -4.460 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.265 -4.570 -5.950 1.00 0.00 C ATOM 1369 CG2 VAL A 81 4.106 -5.635 -3.686 1.00 0.00 C ATOM 0 H VAL A 81 4.232 -2.177 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 81 6.090 -3.811 -3.925 1.00 0.00 H new ATOM 0 HB VAL A 81 3.076 -3.880 -4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.511 -5.270 -6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.172 -3.627 -6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.258 -4.987 -6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.362 -6.322 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.097 -6.079 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.890 -5.444 -2.635 1.00 0.00 H new ATOM 1379 N ARG A 82 3.996 -1.651 -5.271 1.00 0.00 N ATOM 1380 CA ARG A 82 3.924 -0.471 -6.125 1.00 0.00 C ATOM 1381 C ARG A 82 3.502 0.758 -5.327 1.00 0.00 C ATOM 1382 O ARG A 82 2.965 0.643 -4.225 1.00 0.00 O ATOM 1383 CB ARG A 82 2.945 -0.709 -7.276 1.00 0.00 C ATOM 1384 CG ARG A 82 3.626 -0.968 -8.610 1.00 0.00 C ATOM 1385 CD ARG A 82 2.702 -0.655 -9.776 1.00 0.00 C ATOM 1386 NE ARG A 82 3.445 -0.274 -10.976 1.00 0.00 N ATOM 1387 CZ ARG A 82 4.058 -1.145 -11.775 1.00 0.00 C ATOM 1388 NH1 ARG A 82 4.021 -2.443 -11.505 1.00 0.00 N ATOM 1389 NH2 ARG A 82 4.710 -0.715 -12.847 1.00 0.00 N ATOM 0 H ARG A 82 3.097 -2.098 -5.090 1.00 0.00 H new ATOM 0 HA ARG A 82 4.918 -0.289 -6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.309 -1.560 -7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.293 0.159 -7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.527 -0.359 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.941 -2.010 -8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.084 -1.526 -9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.026 0.153 -9.496 1.00 0.00 H new ATOM 0 HE ARG A 82 3.497 0.716 -11.215 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.521 -2.779 -10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.492 -3.106 -12.121 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.742 0.282 -13.059 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.180 -1.382 -13.460 1.00 0.00 H new ATOM 1403 N LEU A 83 3.746 1.935 -5.895 1.00 0.00 N ATOM 1404 CA LEU A 83 3.391 3.189 -5.243 1.00 0.00 C ATOM 1405 C LEU A 83 3.702 4.379 -6.147 1.00 0.00 C ATOM 1406 O LEU A 83 4.819 4.516 -6.645 1.00 0.00 O ATOM 1407 CB LEU A 83 4.140 3.332 -3.916 1.00 0.00 C ATOM 1408 CG LEU A 83 3.653 4.477 -3.022 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.353 3.972 -1.619 1.00 0.00 C ATOM 1410 CD2 LEU A 83 4.681 5.597 -2.980 1.00 0.00 C ATOM 0 H LEU A 83 4.189 2.046 -6.807 1.00 0.00 H new ATOM 0 HA LEU A 83 2.319 3.175 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.053 2.396 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.199 3.480 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 83 2.731 4.874 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.009 4.800 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.578 3.207 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.257 3.546 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.317 6.401 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.621 5.214 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.843 5.980 -3.987 1.00 0.00 H new ATOM 1422 N GLY A 84 2.706 5.234 -6.352 1.00 0.00 N ATOM 1423 CA GLY A 84 2.894 6.398 -7.197 1.00 0.00 C ATOM 1424 C GLY A 84 1.593 6.893 -7.798 1.00 0.00 C ATOM 1425 O GLY A 84 0.511 6.491 -7.371 1.00 0.00 O ATOM 0 H GLY A 84 1.774 5.142 -5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.349 7.198 -6.613 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.591 6.153 -7.998 1.00 0.00 H new ATOM 1429 N SER A 85 1.699 7.769 -8.792 1.00 0.00 N ATOM 1430 CA SER A 85 0.523 8.321 -9.454 1.00 0.00 C ATOM 1431 C SER A 85 0.507 7.950 -10.934 1.00 0.00 C ATOM 1432 O SER A 85 1.555 7.861 -11.574 1.00 0.00 O ATOM 1433 CB SER A 85 0.490 9.842 -9.298 1.00 0.00 C ATOM 1434 OG SER A 85 -0.214 10.219 -8.126 1.00 0.00 O ATOM 0 H SER A 85 2.588 8.112 -9.157 1.00 0.00 H new ATOM 0 HA SER A 85 -0.362 7.895 -8.981 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.508 10.229 -9.255 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.016 10.290 -10.171 1.00 0.00 H new ATOM 0 HG SER A 85 -1.154 10.386 -8.348 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.689 7.736 -11.472 1.00 0.00 N ATOM 1441 CA HIS A 86 -0.843 7.375 -12.877 1.00 0.00 C ATOM 1442 C HIS A 86 -0.323 8.485 -13.784 1.00 0.00 C ATOM 1443 O HIS A 86 0.226 8.220 -14.854 1.00 0.00 O ATOM 1444 CB HIS A 86 -2.312 7.089 -13.193 1.00 0.00 C ATOM 1445 CG HIS A 86 -3.242 8.170 -12.741 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -3.837 8.384 -11.543 1.00 0.00 N flip ATOM 1447 CD2 HIS A 86 -3.663 9.195 -13.562 1.00 0.00 C flip ATOM 1448 CE1 HIS A 86 -4.595 9.522 -11.662 1.00 0.00 C flip ATOM 1449 NE2 HIS A 86 -4.473 9.993 -12.889 1.00 0.00 N flip ATOM 0 H HIS A 86 -1.566 7.806 -10.956 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.256 6.475 -13.062 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.424 6.951 -14.268 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.601 6.151 -12.720 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.375 9.325 -14.595 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.194 9.961 -10.878 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.927 10.830 -13.255 1.00 0.00 H new ATOM 1458 N SER A 87 -0.498 9.728 -13.349 1.00 0.00 N ATOM 1459 CA SER A 87 -0.045 10.880 -14.121 1.00 0.00 C ATOM 1460 C SER A 87 1.475 10.891 -14.241 1.00 0.00 C ATOM 1461 O SER A 87 2.025 11.316 -15.256 1.00 0.00 O ATOM 1462 CB SER A 87 -0.529 12.178 -13.471 1.00 0.00 C ATOM 1463 OG SER A 87 -1.715 12.646 -14.089 1.00 0.00 O ATOM 0 H SER A 87 -0.950 9.964 -12.466 1.00 0.00 H new ATOM 0 HA SER A 87 -0.468 10.805 -15.123 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.710 12.011 -12.409 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.249 12.938 -13.546 1.00 0.00 H new ATOM 0 HG SER A 87 -2.005 13.475 -13.655 1.00 0.00 H new ATOM 1469 N GLU A 88 2.149 10.423 -13.196 1.00 0.00 N ATOM 1470 CA GLU A 88 3.606 10.379 -13.183 1.00 0.00 C ATOM 1471 C GLU A 88 4.122 9.178 -13.968 1.00 0.00 C ATOM 1472 O GLU A 88 4.794 9.331 -14.988 1.00 0.00 O ATOM 1473 CB GLU A 88 4.123 10.322 -11.745 1.00 0.00 C ATOM 1474 CG GLU A 88 5.415 11.094 -11.530 1.00 0.00 C ATOM 1475 CD GLU A 88 6.532 10.621 -12.440 1.00 0.00 C ATOM 1476 OE1 GLU A 88 6.645 9.397 -12.655 1.00 0.00 O ATOM 1477 OE2 GLU A 88 7.295 11.476 -12.938 1.00 0.00 O ATOM 0 H GLU A 88 1.709 10.069 -12.347 1.00 0.00 H new ATOM 0 HA GLU A 88 3.975 11.287 -13.659 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.358 10.718 -11.077 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.282 9.280 -11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.234 12.155 -11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.728 10.990 -10.491 1.00 0.00 H new ATOM 1484 N LEU A 89 3.803 7.981 -13.487 1.00 0.00 N ATOM 1485 CA LEU A 89 4.235 6.752 -14.144 1.00 0.00 C ATOM 1486 C LEU A 89 3.674 6.668 -15.561 1.00 0.00 C ATOM 1487 O LEU A 89 4.397 6.868 -16.537 1.00 0.00 O ATOM 1488 CB LEU A 89 3.794 5.532 -13.334 1.00 0.00 C ATOM 1489 CG LEU A 89 4.682 5.193 -12.135 1.00 0.00 C ATOM 1490 CD1 LEU A 89 4.143 5.842 -10.870 1.00 0.00 C ATOM 1491 CD2 LEU A 89 4.787 3.685 -11.958 1.00 0.00 C ATOM 0 H LEU A 89 3.247 7.835 -12.644 1.00 0.00 H new ATOM 0 HA LEU A 89 5.323 6.764 -14.203 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.778 5.700 -12.978 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.760 4.668 -13.997 1.00 0.00 H new ATOM 0 HG LEU A 89 5.680 5.588 -12.325 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.788 5.589 -10.028 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.120 6.924 -10.998 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.134 5.478 -10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.422 3.463 -11.101 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.794 3.268 -11.791 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.220 3.243 -12.855 1.00 0.00 H new ATOM 1503 N PHE A 90 2.384 6.370 -15.664 1.00 0.00 N ATOM 1504 CA PHE A 90 1.727 6.259 -16.960 1.00 0.00 C ATOM 1505 C PHE A 90 1.742 7.596 -17.695 1.00 0.00 C ATOM 1506 O PHE A 90 2.269 8.576 -17.127 1.00 0.00 O ATOM 1507 CB PHE A 90 0.286 5.775 -16.786 1.00 0.00 C ATOM 1508 CG PHE A 90 0.177 4.307 -16.487 1.00 0.00 C ATOM 1509 CD1 PHE A 90 0.206 3.374 -17.510 1.00 0.00 C ATOM 1510 CD2 PHE A 90 0.046 3.861 -15.181 1.00 0.00 C ATOM 1511 CE1 PHE A 90 0.106 2.023 -17.239 1.00 0.00 C ATOM 1512 CE2 PHE A 90 -0.054 2.511 -14.903 1.00 0.00 C ATOM 1513 CZ PHE A 90 -0.024 1.591 -15.933 1.00 0.00 C ATOM 0 H PHE A 90 1.773 6.201 -14.865 1.00 0.00 H new ATOM 0 HA PHE A 90 2.277 5.531 -17.556 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.182 6.338 -15.978 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.275 5.995 -17.695 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.308 3.707 -18.532 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.022 4.576 -14.372 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.129 1.306 -18.046 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.156 2.176 -13.881 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.102 0.536 -15.718 1.00 0.00 H new TER 1523 PHE A 90