USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 732 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 20 SER OG : rot 180:sc= 0.39 USER MOD Set 1.2: A 33 THR OG1 : rot 137:sc= 0.42 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 13 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.53) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -3.41 K(o=-3.4,f=-4.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 50:sc= 0.368 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 26 HIS : no HD1:sc= -0.415 X(o=-0.42,f=-0.037) USER MOD Single : A 27 HIS : no HE2:sc= -2.3 K(o=-2.3,f=-4.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -2.46! X(o=-2.5!,f=-2.6) USER MOD Single : A 49 GLN : amide:sc= -0.517 K(o=-0.52,f=-2.4) USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00659 USER MOD Single : A 57 ASN : amide:sc= -0.0226 K(o=-0.023,f=-1) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 52:sc= 0.386 USER MOD Single : A 65 THR OG1 : rot -54:sc= 0.807 USER MOD Single : A 71 SER OG : rot 103:sc= -0.744 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00106 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -2.6! C(o=-2.6!,f=-9.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.907 2.306 19.219 1.00 0.00 N ATOM 2 CA ASP A 1 -2.464 2.477 18.881 1.00 0.00 C ATOM 3 C ASP A 1 -2.210 2.069 17.428 1.00 0.00 C ATOM 4 O ASP A 1 -2.257 0.905 17.087 1.00 0.00 O ATOM 5 CB ASP A 1 -1.719 1.544 19.837 1.00 0.00 C ATOM 6 CG ASP A 1 -0.294 2.057 20.043 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.145 3.125 20.615 1.00 0.00 O ATOM 8 OD2 ASP A 1 0.626 1.373 19.626 1.00 0.00 O ATOM 0 H1 ASP A 1 -4.068 2.586 20.208 1.00 0.00 H new ATOM 0 H2 ASP A 1 -4.483 2.903 18.592 1.00 0.00 H new ATOM 0 H3 ASP A 1 -4.177 1.310 19.093 1.00 0.00 H new ATOM 0 HA ASP A 1 -2.136 3.511 18.983 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.240 1.494 20.793 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -1.698 0.532 19.432 1.00 0.00 H new ATOM 13 N LYS A 2 -1.902 3.024 16.581 1.00 0.00 N ATOM 14 CA LYS A 2 -1.595 2.719 15.144 1.00 0.00 C ATOM 15 C LYS A 2 -2.752 1.943 14.487 1.00 0.00 C ATOM 16 O LYS A 2 -3.646 2.534 13.914 1.00 0.00 O ATOM 17 CB LYS A 2 -0.301 1.893 15.162 1.00 0.00 C ATOM 18 CG LYS A 2 0.856 2.767 15.650 1.00 0.00 C ATOM 19 CD LYS A 2 2.022 1.876 16.086 1.00 0.00 C ATOM 20 CE LYS A 2 3.332 2.658 15.978 1.00 0.00 C ATOM 21 NZ LYS A 2 4.402 1.646 16.193 1.00 0.00 N ATOM 0 H LYS A 2 -1.850 4.013 16.826 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.473 3.628 14.556 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.418 1.028 15.815 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.087 1.512 14.164 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.177 3.441 14.855 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.529 3.389 16.483 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.872 1.538 17.111 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.066 0.985 15.460 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.429 3.134 15.002 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.382 3.450 16.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.333 2.107 16.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.288 1.215 17.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.334 0.908 15.463 1.00 0.00 H new ATOM 35 N ASP A 3 -2.768 0.629 14.594 1.00 0.00 N ATOM 36 CA ASP A 3 -3.893 -0.175 14.009 1.00 0.00 C ATOM 37 C ASP A 3 -4.101 0.176 12.530 1.00 0.00 C ATOM 38 O ASP A 3 -3.264 0.805 11.910 1.00 0.00 O ATOM 39 CB ASP A 3 -5.131 0.199 14.829 1.00 0.00 C ATOM 40 CG ASP A 3 -6.022 -1.033 15.000 1.00 0.00 C ATOM 41 OD1 ASP A 3 -5.635 -1.921 15.741 1.00 0.00 O ATOM 42 OD2 ASP A 3 -7.076 -1.066 14.386 1.00 0.00 O ATOM 0 H ASP A 3 -2.048 0.080 15.063 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.686 -1.244 14.050 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.832 0.583 15.804 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.684 0.994 14.330 1.00 0.00 H new ATOM 47 N VAL A 4 -5.228 -0.195 11.977 1.00 0.00 N ATOM 48 CA VAL A 4 -5.520 0.150 10.554 1.00 0.00 C ATOM 49 C VAL A 4 -6.836 0.934 10.462 1.00 0.00 C ATOM 50 O VAL A 4 -7.812 0.605 11.111 1.00 0.00 O ATOM 51 CB VAL A 4 -5.624 -1.205 9.835 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.116 -1.012 8.395 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.245 -1.865 9.801 1.00 0.00 C ATOM 0 H VAL A 4 -5.960 -0.723 12.452 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.753 0.782 10.107 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.333 -1.834 10.374 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.184 -1.981 7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.099 -0.541 8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.415 -0.377 7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.314 -2.826 9.292 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.546 -1.221 9.267 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.890 -2.019 10.820 1.00 0.00 H new ATOM 63 N LYS A 5 -6.887 1.911 9.595 1.00 0.00 N ATOM 64 CA LYS A 5 -8.156 2.661 9.370 1.00 0.00 C ATOM 65 C LYS A 5 -8.613 2.481 7.921 1.00 0.00 C ATOM 66 O LYS A 5 -7.817 2.202 7.044 1.00 0.00 O ATOM 67 CB LYS A 5 -7.808 4.124 9.646 1.00 0.00 C ATOM 68 CG LYS A 5 -9.003 4.820 10.301 1.00 0.00 C ATOM 69 CD LYS A 5 -8.886 6.332 10.102 1.00 0.00 C ATOM 70 CE LYS A 5 -7.930 6.913 11.145 1.00 0.00 C ATOM 71 NZ LYS A 5 -8.792 7.241 12.316 1.00 0.00 N ATOM 0 H LYS A 5 -6.098 2.223 9.029 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.966 2.312 10.010 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.937 4.184 10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.546 4.628 8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.933 4.456 9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.036 4.584 11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.521 6.550 9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.867 6.798 10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.155 6.195 11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.424 7.801 10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.207 7.645 13.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.516 7.931 12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.255 6.375 12.659 1.00 0.00 H new ATOM 85 N TYR A 6 -9.884 2.655 7.660 1.00 0.00 N ATOM 86 CA TYR A 6 -10.391 2.516 6.263 1.00 0.00 C ATOM 87 C TYR A 6 -10.269 3.847 5.518 1.00 0.00 C ATOM 88 O TYR A 6 -11.167 4.668 5.545 1.00 0.00 O ATOM 89 CB TYR A 6 -11.856 2.107 6.410 1.00 0.00 C ATOM 90 CG TYR A 6 -11.936 0.616 6.632 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.346 0.045 7.765 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.599 -0.197 5.704 1.00 0.00 C ATOM 93 CE1 TYR A 6 -11.416 -1.338 7.971 1.00 0.00 C ATOM 94 CE2 TYR A 6 -12.669 -1.580 5.910 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.079 -2.150 7.043 1.00 0.00 C ATOM 96 OH TYR A 6 -12.148 -3.514 7.246 1.00 0.00 O ATOM 0 H TYR A 6 -10.593 2.888 8.356 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.823 1.784 5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.311 2.636 7.247 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.415 2.384 5.516 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.836 0.672 8.481 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.056 0.243 4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.959 -1.778 8.845 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.179 -2.207 5.194 1.00 0.00 H new ATOM 0 HH TYR A 6 -12.644 -3.930 6.510 1.00 0.00 H new ATOM 106 N TYR A 7 -9.182 4.041 4.814 1.00 0.00 N ATOM 107 CA TYR A 7 -9.012 5.292 4.014 1.00 0.00 C ATOM 108 C TYR A 7 -9.871 5.226 2.748 1.00 0.00 C ATOM 109 O TYR A 7 -10.688 4.338 2.590 1.00 0.00 O ATOM 110 CB TYR A 7 -7.526 5.335 3.654 1.00 0.00 C ATOM 111 CG TYR A 7 -6.727 5.781 4.855 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.511 4.898 5.919 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.202 7.078 4.903 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.769 5.311 7.032 1.00 0.00 C ATOM 115 CE2 TYR A 7 -5.459 7.491 6.016 1.00 0.00 C ATOM 116 CZ TYR A 7 -5.243 6.608 7.081 1.00 0.00 C ATOM 117 OH TYR A 7 -4.512 7.015 8.178 1.00 0.00 O ATOM 0 H TYR A 7 -8.403 3.385 4.759 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.322 6.181 4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.192 4.350 3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.363 6.019 2.821 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.917 3.898 5.882 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.370 7.760 4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.602 4.629 7.853 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.052 8.491 6.053 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.220 7.942 8.051 1.00 0.00 H new ATOM 127 N THR A 8 -9.662 6.136 1.830 1.00 0.00 N ATOM 128 CA THR A 8 -10.434 6.106 0.551 1.00 0.00 C ATOM 129 C THR A 8 -9.478 6.112 -0.644 1.00 0.00 C ATOM 130 O THR A 8 -8.321 6.465 -0.523 1.00 0.00 O ATOM 131 CB THR A 8 -11.281 7.380 0.563 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.426 8.512 0.648 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.227 7.359 1.766 1.00 0.00 C ATOM 0 H THR A 8 -8.990 6.899 1.911 1.00 0.00 H new ATOM 0 HA THR A 8 -11.049 5.210 0.464 1.00 0.00 H new ATOM 0 HB THR A 8 -11.869 7.435 -0.353 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.966 9.330 0.654 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.829 8.268 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.882 6.490 1.699 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.645 7.304 2.686 1.00 0.00 H new ATOM 141 N LEU A 9 -9.972 5.765 -1.804 1.00 0.00 N ATOM 142 CA LEU A 9 -9.115 5.792 -3.029 1.00 0.00 C ATOM 143 C LEU A 9 -8.855 7.239 -3.457 1.00 0.00 C ATOM 144 O LEU A 9 -7.759 7.590 -3.850 1.00 0.00 O ATOM 145 CB LEU A 9 -9.924 5.050 -4.098 1.00 0.00 C ATOM 146 CG LEU A 9 -9.007 4.123 -4.904 1.00 0.00 C ATOM 147 CD1 LEU A 9 -8.395 3.065 -3.982 1.00 0.00 C ATOM 148 CD2 LEU A 9 -9.824 3.428 -5.996 1.00 0.00 C ATOM 0 H LEU A 9 -10.934 5.463 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.142 5.329 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.717 4.470 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.405 5.767 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.209 4.712 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.745 2.410 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.814 3.555 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.191 2.476 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.175 2.768 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.621 2.843 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.258 4.177 -6.658 1.00 0.00 H new ATOM 160 N GLU A 10 -9.842 8.089 -3.340 1.00 0.00 N ATOM 161 CA GLU A 10 -9.643 9.529 -3.695 1.00 0.00 C ATOM 162 C GLU A 10 -8.552 10.148 -2.814 1.00 0.00 C ATOM 163 O GLU A 10 -7.874 11.075 -3.215 1.00 0.00 O ATOM 164 CB GLU A 10 -10.992 10.201 -3.429 1.00 0.00 C ATOM 165 CG GLU A 10 -12.033 9.664 -4.412 1.00 0.00 C ATOM 166 CD GLU A 10 -11.670 10.102 -5.832 1.00 0.00 C ATOM 167 OE1 GLU A 10 -12.033 11.207 -6.200 1.00 0.00 O ATOM 168 OE2 GLU A 10 -11.037 9.325 -6.527 1.00 0.00 O ATOM 0 H GLU A 10 -10.778 7.850 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.325 9.654 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.310 10.008 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.899 11.282 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.075 8.576 -4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.023 10.035 -4.148 1.00 0.00 H new ATOM 175 N GLU A 11 -8.370 9.630 -1.625 1.00 0.00 N ATOM 176 CA GLU A 11 -7.310 10.170 -0.721 1.00 0.00 C ATOM 177 C GLU A 11 -5.983 9.431 -0.937 1.00 0.00 C ATOM 178 O GLU A 11 -4.918 9.994 -0.768 1.00 0.00 O ATOM 179 CB GLU A 11 -7.835 9.923 0.693 1.00 0.00 C ATOM 180 CG GLU A 11 -6.910 10.600 1.708 1.00 0.00 C ATOM 181 CD GLU A 11 -7.010 12.119 1.556 1.00 0.00 C ATOM 182 OE1 GLU A 11 -8.041 12.664 1.915 1.00 0.00 O ATOM 183 OE2 GLU A 11 -6.055 12.711 1.082 1.00 0.00 O ATOM 0 H GLU A 11 -8.911 8.855 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.113 11.225 -0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.847 10.315 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.888 8.852 0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.187 10.306 2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.881 10.275 1.552 1.00 0.00 H new ATOM 190 N ILE A 12 -6.042 8.175 -1.304 1.00 0.00 N ATOM 191 CA ILE A 12 -4.785 7.394 -1.528 1.00 0.00 C ATOM 192 C ILE A 12 -4.335 7.514 -2.989 1.00 0.00 C ATOM 193 O ILE A 12 -3.216 7.899 -3.272 1.00 0.00 O ATOM 194 CB ILE A 12 -5.150 5.943 -1.193 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.623 5.854 0.261 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.924 5.044 -1.377 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.319 4.511 0.490 1.00 0.00 C ATOM 0 H ILE A 12 -6.906 7.656 -1.458 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.961 7.758 -0.914 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.947 5.614 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.774 5.956 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.307 6.673 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.189 4.014 -1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.583 5.100 -2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.126 5.377 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.656 4.447 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.177 4.428 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.621 3.700 0.285 1.00 0.00 H new ATOM 209 N GLN A 13 -5.204 7.200 -3.915 1.00 0.00 N ATOM 210 CA GLN A 13 -4.844 7.308 -5.366 1.00 0.00 C ATOM 211 C GLN A 13 -4.360 8.725 -5.708 1.00 0.00 C ATOM 212 O GLN A 13 -3.628 8.922 -6.659 1.00 0.00 O ATOM 213 CB GLN A 13 -6.134 6.985 -6.126 1.00 0.00 C ATOM 214 CG GLN A 13 -5.804 6.160 -7.371 1.00 0.00 C ATOM 215 CD GLN A 13 -5.479 4.723 -6.960 1.00 0.00 C ATOM 216 OE1 GLN A 13 -6.360 3.892 -6.864 1.00 0.00 O ATOM 217 NE2 GLN A 13 -4.241 4.393 -6.712 1.00 0.00 N ATOM 0 H GLN A 13 -6.152 6.872 -3.730 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.032 6.631 -5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.818 6.432 -5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.640 7.907 -6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.648 6.170 -8.061 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.957 6.599 -7.897 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.501 5.091 -6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.013 3.437 -6.438 1.00 0.00 H new ATOM 226 N LYS A 14 -4.728 9.702 -4.913 1.00 0.00 N ATOM 227 CA LYS A 14 -4.249 11.099 -5.164 1.00 0.00 C ATOM 228 C LYS A 14 -2.718 11.154 -5.126 1.00 0.00 C ATOM 229 O LYS A 14 -2.102 11.969 -5.786 1.00 0.00 O ATOM 230 CB LYS A 14 -4.840 11.940 -4.030 1.00 0.00 C ATOM 231 CG LYS A 14 -5.269 13.305 -4.574 1.00 0.00 C ATOM 232 CD LYS A 14 -6.495 13.135 -5.472 1.00 0.00 C ATOM 233 CE LYS A 14 -6.475 14.201 -6.570 1.00 0.00 C ATOM 234 NZ LYS A 14 -7.123 13.554 -7.746 1.00 0.00 N ATOM 0 H LYS A 14 -5.338 9.593 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.557 11.464 -6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.696 11.427 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.104 12.068 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.500 13.980 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.452 13.757 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.498 12.140 -5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.407 13.223 -4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.018 15.095 -6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.456 14.511 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.147 14.224 -8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.581 12.710 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.094 13.276 -7.498 1.00 0.00 H new ATOM 248 N HIS A 15 -2.101 10.262 -4.390 1.00 0.00 N ATOM 249 CA HIS A 15 -0.608 10.224 -4.344 1.00 0.00 C ATOM 250 C HIS A 15 -0.062 9.511 -5.584 1.00 0.00 C ATOM 251 O HIS A 15 -0.761 8.748 -6.225 1.00 0.00 O ATOM 252 CB HIS A 15 -0.268 9.435 -3.079 1.00 0.00 C ATOM 253 CG HIS A 15 -0.772 10.177 -1.871 1.00 0.00 C ATOM 254 ND1 HIS A 15 0.036 10.440 -0.775 1.00 0.00 N ATOM 255 CD2 HIS A 15 -1.999 10.716 -1.569 1.00 0.00 C ATOM 256 CE1 HIS A 15 -0.708 11.109 0.125 1.00 0.00 C ATOM 257 NE2 HIS A 15 -1.955 11.303 -0.309 1.00 0.00 N ATOM 0 H HIS A 15 -2.569 9.558 -3.819 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.169 11.222 -4.330 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.719 8.444 -3.124 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.810 9.291 -3.007 1.00 0.00 H new ATOM 0 HD1 HIS A 15 1.015 10.175 -0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.866 10.688 -2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.340 11.448 1.082 1.00 0.00 H new ATOM 266 N LYS A 16 1.187 9.731 -5.907 1.00 0.00 N ATOM 267 CA LYS A 16 1.793 9.042 -7.087 1.00 0.00 C ATOM 268 C LYS A 16 3.321 9.041 -6.980 1.00 0.00 C ATOM 269 O LYS A 16 3.966 8.044 -7.244 1.00 0.00 O ATOM 270 CB LYS A 16 1.340 9.863 -8.302 1.00 0.00 C ATOM 271 CG LYS A 16 0.242 9.108 -9.057 1.00 0.00 C ATOM 272 CD LYS A 16 0.862 8.325 -10.217 1.00 0.00 C ATOM 273 CE LYS A 16 -0.233 7.931 -11.211 1.00 0.00 C ATOM 274 NZ LYS A 16 0.432 7.951 -12.543 1.00 0.00 N ATOM 0 H LYS A 16 1.814 10.359 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 16 1.482 8.000 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.969 10.835 -7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.187 10.049 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.276 8.427 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.502 9.809 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.619 8.931 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.364 7.434 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.635 6.943 -10.985 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.068 8.630 -11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.256 7.691 -13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.799 8.905 -12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.219 7.271 -12.549 1.00 0.00 H new ATOM 288 N ASP A 17 3.901 10.145 -6.577 1.00 0.00 N ATOM 289 CA ASP A 17 5.390 10.205 -6.433 1.00 0.00 C ATOM 290 C ASP A 17 5.816 11.483 -5.700 1.00 0.00 C ATOM 291 O ASP A 17 6.742 11.473 -4.912 1.00 0.00 O ATOM 292 CB ASP A 17 5.928 10.209 -7.865 1.00 0.00 C ATOM 293 CG ASP A 17 7.282 9.499 -7.904 1.00 0.00 C ATOM 294 OD1 ASP A 17 8.213 10.007 -7.301 1.00 0.00 O ATOM 295 OD2 ASP A 17 7.366 8.458 -8.536 1.00 0.00 O ATOM 0 H ASP A 17 3.409 11.007 -6.342 1.00 0.00 H new ATOM 0 HA ASP A 17 5.774 9.368 -5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.224 9.709 -8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.032 11.233 -8.223 1.00 0.00 H new ATOM 300 N SER A 18 5.149 12.584 -5.956 1.00 0.00 N ATOM 301 CA SER A 18 5.512 13.875 -5.277 1.00 0.00 C ATOM 302 C SER A 18 5.617 13.692 -3.756 1.00 0.00 C ATOM 303 O SER A 18 4.628 13.700 -3.051 1.00 0.00 O ATOM 304 CB SER A 18 4.374 14.838 -5.617 1.00 0.00 C ATOM 305 OG SER A 18 3.129 14.199 -5.371 1.00 0.00 O ATOM 0 H SER A 18 4.366 12.647 -6.607 1.00 0.00 H new ATOM 0 HA SER A 18 6.482 14.243 -5.612 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.456 15.743 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.440 15.142 -6.662 1.00 0.00 H new ATOM 0 HG SER A 18 3.136 13.803 -4.474 1.00 0.00 H new ATOM 311 N LYS A 19 6.823 13.579 -3.249 1.00 0.00 N ATOM 312 CA LYS A 19 7.041 13.449 -1.767 1.00 0.00 C ATOM 313 C LYS A 19 6.381 12.176 -1.228 1.00 0.00 C ATOM 314 O LYS A 19 5.245 11.871 -1.532 1.00 0.00 O ATOM 315 CB LYS A 19 6.408 14.692 -1.127 1.00 0.00 C ATOM 316 CG LYS A 19 7.170 15.053 0.149 1.00 0.00 C ATOM 317 CD LYS A 19 8.500 15.712 -0.218 1.00 0.00 C ATOM 318 CE LYS A 19 8.236 17.084 -0.840 1.00 0.00 C ATOM 319 NZ LYS A 19 9.551 17.783 -0.803 1.00 0.00 N ATOM 0 H LYS A 19 7.678 13.571 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 19 8.103 13.379 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.433 15.527 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.360 14.501 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.574 15.729 0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.348 14.157 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.123 15.818 0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.048 15.083 -0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.867 16.990 -1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.481 17.634 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.451 18.733 -1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.874 17.864 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.248 17.240 -1.352 1.00 0.00 H new ATOM 333 N SER A 20 7.076 11.459 -0.379 1.00 0.00 N ATOM 334 CA SER A 20 6.493 10.227 0.252 1.00 0.00 C ATOM 335 C SER A 20 5.904 9.290 -0.810 1.00 0.00 C ATOM 336 O SER A 20 5.999 9.546 -1.995 1.00 0.00 O ATOM 337 CB SER A 20 5.393 10.737 1.185 1.00 0.00 C ATOM 338 OG SER A 20 5.950 11.672 2.100 1.00 0.00 O ATOM 0 H SER A 20 8.031 11.674 -0.092 1.00 0.00 H new ATOM 0 HA SER A 20 7.250 9.652 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.598 11.207 0.606 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.944 9.904 1.726 1.00 0.00 H new ATOM 0 HG SER A 20 5.248 12.002 2.698 1.00 0.00 H new ATOM 344 N THR A 21 5.245 8.240 -0.387 1.00 0.00 N ATOM 345 CA THR A 21 4.587 7.322 -1.361 1.00 0.00 C ATOM 346 C THR A 21 3.458 6.540 -0.678 1.00 0.00 C ATOM 347 O THR A 21 3.692 5.751 0.221 1.00 0.00 O ATOM 348 CB THR A 21 5.700 6.382 -1.846 1.00 0.00 C ATOM 349 OG1 THR A 21 5.177 5.496 -2.824 1.00 0.00 O ATOM 350 CG2 THR A 21 6.263 5.572 -0.671 1.00 0.00 C ATOM 0 H THR A 21 5.135 7.980 0.593 1.00 0.00 H new ATOM 0 HA THR A 21 4.130 7.860 -2.192 1.00 0.00 H new ATOM 0 HB THR A 21 6.502 6.979 -2.280 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.887 4.897 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.051 4.910 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.672 6.252 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.466 4.978 -0.224 1.00 0.00 H new ATOM 358 N TRP A 22 2.246 6.708 -1.141 1.00 0.00 N ATOM 359 CA TRP A 22 1.110 5.925 -0.574 1.00 0.00 C ATOM 360 C TRP A 22 0.885 4.662 -1.407 1.00 0.00 C ATOM 361 O TRP A 22 -0.065 4.565 -2.162 1.00 0.00 O ATOM 362 CB TRP A 22 -0.103 6.855 -0.660 1.00 0.00 C ATOM 363 CG TRP A 22 -0.193 7.678 0.586 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.831 8.368 1.137 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.350 7.908 1.442 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.378 9.008 2.276 1.00 0.00 N ATOM 367 CE2 TRP A 22 -0.960 8.755 2.506 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.684 7.469 1.398 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.863 9.153 3.492 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.597 7.868 2.390 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.187 8.708 3.433 1.00 0.00 C ATOM 0 H TRP A 22 1.995 7.355 -1.888 1.00 0.00 H new ATOM 0 HA TRP A 22 1.296 5.604 0.451 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -0.015 7.504 -1.531 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.014 6.270 -0.788 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.839 8.412 0.751 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.961 9.595 2.873 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.010 6.821 0.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.542 9.800 4.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.620 7.525 2.347 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.893 9.012 4.191 1.00 0.00 H new ATOM 382 N VAL A 23 1.735 3.680 -1.245 1.00 0.00 N ATOM 383 CA VAL A 23 1.559 2.399 -1.991 1.00 0.00 C ATOM 384 C VAL A 23 0.490 1.552 -1.301 1.00 0.00 C ATOM 385 O VAL A 23 0.192 1.755 -0.139 1.00 0.00 O ATOM 386 CB VAL A 23 2.922 1.701 -1.929 1.00 0.00 C ATOM 387 CG1 VAL A 23 2.865 0.393 -2.718 1.00 0.00 C ATOM 388 CG2 VAL A 23 3.997 2.609 -2.535 1.00 0.00 C ATOM 0 H VAL A 23 2.545 3.711 -0.626 1.00 0.00 H new ATOM 0 HA VAL A 23 1.239 2.556 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 23 3.168 1.491 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.835 -0.102 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.105 -0.259 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.614 0.606 -3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.964 2.109 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.749 2.823 -3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.044 3.542 -1.973 1.00 0.00 H new ATOM 398 N ILE A 24 -0.086 0.608 -2.000 1.00 0.00 N ATOM 399 CA ILE A 24 -1.134 -0.247 -1.369 1.00 0.00 C ATOM 400 C ILE A 24 -0.951 -1.713 -1.772 1.00 0.00 C ATOM 401 O ILE A 24 -0.816 -2.034 -2.937 1.00 0.00 O ATOM 402 CB ILE A 24 -2.471 0.292 -1.898 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.614 1.775 -1.528 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.624 -0.499 -1.271 1.00 0.00 C ATOM 405 CD1 ILE A 24 -2.211 2.643 -2.723 1.00 0.00 C ATOM 0 H ILE A 24 0.123 0.393 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.082 -0.212 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.498 0.184 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.643 1.991 -1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.986 2.008 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.574 -0.117 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.528 -1.553 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.592 -0.391 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.313 3.696 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.175 2.435 -2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.858 2.417 -3.571 1.00 0.00 H new ATOM 417 N LEU A 25 -1.073 -2.605 -0.823 1.00 0.00 N ATOM 418 CA LEU A 25 -1.049 -4.060 -1.148 1.00 0.00 C ATOM 419 C LEU A 25 -2.475 -4.528 -1.452 1.00 0.00 C ATOM 420 O LEU A 25 -2.998 -5.419 -0.814 1.00 0.00 O ATOM 421 CB LEU A 25 -0.508 -4.739 0.118 1.00 0.00 C ATOM 422 CG LEU A 25 1.012 -4.942 0.011 1.00 0.00 C ATOM 423 CD1 LEU A 25 1.335 -5.850 -1.178 1.00 0.00 C ATOM 424 CD2 LEU A 25 1.708 -3.588 -0.173 1.00 0.00 C ATOM 0 H LEU A 25 -1.189 -2.386 0.166 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.436 -4.295 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.739 -4.130 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.000 -5.701 0.261 1.00 0.00 H new ATOM 0 HG LEU A 25 1.371 -5.409 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.414 -5.989 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.853 -6.817 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.969 -5.391 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.785 -3.740 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.344 -3.113 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.490 -2.948 0.682 1.00 0.00 H new ATOM 436 N HIS A 26 -3.118 -3.888 -2.400 1.00 0.00 N ATOM 437 CA HIS A 26 -4.537 -4.228 -2.749 1.00 0.00 C ATOM 438 C HIS A 26 -5.459 -4.087 -1.527 1.00 0.00 C ATOM 439 O HIS A 26 -6.595 -4.520 -1.557 1.00 0.00 O ATOM 440 CB HIS A 26 -4.518 -5.681 -3.248 1.00 0.00 C ATOM 441 CG HIS A 26 -3.611 -5.794 -4.442 1.00 0.00 C ATOM 442 ND1 HIS A 26 -4.100 -5.904 -5.734 1.00 0.00 N ATOM 443 CD2 HIS A 26 -2.243 -5.815 -4.557 1.00 0.00 C ATOM 444 CE1 HIS A 26 -3.043 -5.984 -6.563 1.00 0.00 C ATOM 445 NE2 HIS A 26 -1.887 -5.935 -5.897 1.00 0.00 N ATOM 0 H HIS A 26 -2.715 -3.133 -2.955 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.925 -3.550 -3.509 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.174 -6.344 -2.454 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.527 -5.998 -3.514 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.549 -5.748 -3.733 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.120 -6.077 -7.636 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.945 -5.977 -6.287 1.00 0.00 H new ATOM 453 N HIS A 27 -5.021 -3.395 -0.493 1.00 0.00 N ATOM 454 CA HIS A 27 -5.910 -3.128 0.684 1.00 0.00 C ATOM 455 C HIS A 27 -5.179 -2.252 1.708 1.00 0.00 C ATOM 456 O HIS A 27 -5.588 -1.143 1.994 1.00 0.00 O ATOM 457 CB HIS A 27 -6.226 -4.495 1.304 1.00 0.00 C ATOM 458 CG HIS A 27 -7.443 -4.373 2.179 1.00 0.00 C ATOM 459 ND1 HIS A 27 -7.708 -5.267 3.204 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.473 -3.463 2.200 1.00 0.00 C ATOM 461 CE1 HIS A 27 -8.855 -4.881 3.793 1.00 0.00 C ATOM 462 NE2 HIS A 27 -9.362 -3.787 3.220 1.00 0.00 N ATOM 0 H HIS A 27 -4.082 -3.004 -0.418 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.818 -2.605 0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.400 -5.232 0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.377 -4.847 1.889 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -7.138 -6.071 3.465 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.576 -2.624 1.527 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.310 -5.394 4.628 1.00 0.00 H new ATOM 470 N LYS A 28 -4.095 -2.746 2.253 1.00 0.00 N ATOM 471 CA LYS A 28 -3.320 -1.951 3.257 1.00 0.00 C ATOM 472 C LYS A 28 -2.643 -0.754 2.583 1.00 0.00 C ATOM 473 O LYS A 28 -1.897 -0.909 1.636 1.00 0.00 O ATOM 474 CB LYS A 28 -2.268 -2.916 3.808 1.00 0.00 C ATOM 475 CG LYS A 28 -2.803 -3.582 5.078 1.00 0.00 C ATOM 476 CD LYS A 28 -3.707 -4.755 4.698 1.00 0.00 C ATOM 477 CE LYS A 28 -3.723 -5.778 5.837 1.00 0.00 C ATOM 478 NZ LYS A 28 -2.663 -6.762 5.483 1.00 0.00 N ATOM 0 H LYS A 28 -3.712 -3.668 2.046 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.961 -1.553 4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.027 -3.673 3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.345 -2.379 4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.975 -3.932 5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.360 -2.859 5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.718 -4.399 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.348 -5.222 3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.517 -5.304 6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.697 -6.260 5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.612 -7.497 6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.889 -7.202 4.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.746 -6.276 5.416 1.00 0.00 H new ATOM 492 N VAL A 29 -2.849 0.429 3.107 1.00 0.00 N ATOM 493 CA VAL A 29 -2.162 1.632 2.546 1.00 0.00 C ATOM 494 C VAL A 29 -0.798 1.805 3.220 1.00 0.00 C ATOM 495 O VAL A 29 -0.690 1.779 4.430 1.00 0.00 O ATOM 496 CB VAL A 29 -3.086 2.812 2.875 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.478 4.109 2.337 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.456 2.592 2.224 1.00 0.00 C ATOM 0 H VAL A 29 -3.464 0.613 3.900 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.984 1.552 1.474 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.201 2.883 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.137 4.945 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.504 4.273 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.359 4.034 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.110 3.432 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.337 2.517 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.897 1.671 2.606 1.00 0.00 H new ATOM 508 N TYR A 30 0.244 1.953 2.441 1.00 0.00 N ATOM 509 CA TYR A 30 1.608 2.091 3.032 1.00 0.00 C ATOM 510 C TYR A 30 2.120 3.530 2.919 1.00 0.00 C ATOM 511 O TYR A 30 2.123 4.111 1.848 1.00 0.00 O ATOM 512 CB TYR A 30 2.496 1.167 2.200 1.00 0.00 C ATOM 513 CG TYR A 30 2.236 -0.267 2.578 1.00 0.00 C ATOM 514 CD1 TYR A 30 1.018 -0.868 2.245 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.217 -0.999 3.256 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.779 -2.202 2.593 1.00 0.00 C ATOM 517 CE2 TYR A 30 2.980 -2.332 3.604 1.00 0.00 C ATOM 518 CZ TYR A 30 1.760 -2.935 3.272 1.00 0.00 C ATOM 519 OH TYR A 30 1.525 -4.251 3.615 1.00 0.00 O ATOM 0 H TYR A 30 0.208 1.984 1.422 1.00 0.00 H new ATOM 0 HA TYR A 30 1.606 1.838 4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.297 1.315 1.139 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.545 1.411 2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.262 -0.303 1.720 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.158 -0.534 3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.162 -2.666 2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.737 -2.896 4.128 1.00 0.00 H new ATOM 0 HH TYR A 30 2.308 -4.613 4.080 1.00 0.00 H new ATOM 529 N ASP A 31 2.731 4.020 3.965 1.00 0.00 N ATOM 530 CA ASP A 31 3.459 5.320 3.875 1.00 0.00 C ATOM 531 C ASP A 31 4.959 5.036 3.961 1.00 0.00 C ATOM 532 O ASP A 31 5.533 5.012 5.033 1.00 0.00 O ATOM 533 CB ASP A 31 2.982 6.137 5.077 1.00 0.00 C ATOM 534 CG ASP A 31 3.689 7.494 5.090 1.00 0.00 C ATOM 535 OD1 ASP A 31 3.494 8.251 4.152 1.00 0.00 O ATOM 536 OD2 ASP A 31 4.413 7.754 6.036 1.00 0.00 O ATOM 0 H ASP A 31 2.757 3.574 4.882 1.00 0.00 H new ATOM 0 HA ASP A 31 3.272 5.858 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.902 6.279 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.191 5.598 6.001 1.00 0.00 H new ATOM 541 N LEU A 32 5.566 4.703 2.851 1.00 0.00 N ATOM 542 CA LEU A 32 7.000 4.276 2.873 1.00 0.00 C ATOM 543 C LEU A 32 7.921 5.465 2.582 1.00 0.00 C ATOM 544 O LEU A 32 9.023 5.296 2.099 1.00 0.00 O ATOM 545 CB LEU A 32 7.139 3.220 1.761 1.00 0.00 C ATOM 546 CG LEU A 32 6.063 2.122 1.900 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.480 1.808 0.522 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.686 0.849 2.483 1.00 0.00 C ATOM 0 H LEU A 32 5.131 4.708 1.928 1.00 0.00 H new ATOM 0 HA LEU A 32 7.281 3.880 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.050 3.700 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.131 2.769 1.805 1.00 0.00 H new ATOM 0 HG LEU A 32 5.276 2.476 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.720 1.033 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.030 2.708 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.274 1.459 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.920 0.079 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.476 0.495 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.106 1.066 3.465 1.00 0.00 H new ATOM 560 N THR A 33 7.496 6.661 2.908 1.00 0.00 N ATOM 561 CA THR A 33 8.368 7.859 2.687 1.00 0.00 C ATOM 562 C THR A 33 9.687 7.711 3.456 1.00 0.00 C ATOM 563 O THR A 33 10.709 8.239 3.057 1.00 0.00 O ATOM 564 CB THR A 33 7.564 9.054 3.213 1.00 0.00 C ATOM 565 OG1 THR A 33 8.333 10.239 3.064 1.00 0.00 O ATOM 566 CG2 THR A 33 7.221 8.850 4.692 1.00 0.00 C ATOM 0 H THR A 33 6.583 6.861 3.318 1.00 0.00 H new ATOM 0 HA THR A 33 8.629 7.983 1.636 1.00 0.00 H new ATOM 0 HB THR A 33 6.638 9.140 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.761 10.960 2.726 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.650 9.705 5.054 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.628 7.943 4.806 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.141 8.757 5.269 1.00 0.00 H new ATOM 574 N LYS A 34 9.679 6.963 4.530 1.00 0.00 N ATOM 575 CA LYS A 34 10.938 6.733 5.300 1.00 0.00 C ATOM 576 C LYS A 34 11.729 5.574 4.686 1.00 0.00 C ATOM 577 O LYS A 34 12.944 5.545 4.739 1.00 0.00 O ATOM 578 CB LYS A 34 10.476 6.379 6.715 1.00 0.00 C ATOM 579 CG LYS A 34 11.694 6.177 7.621 1.00 0.00 C ATOM 580 CD LYS A 34 11.979 7.467 8.393 1.00 0.00 C ATOM 581 CE LYS A 34 13.488 7.624 8.588 1.00 0.00 C ATOM 582 NZ LYS A 34 13.685 9.062 8.925 1.00 0.00 N ATOM 0 H LYS A 34 8.852 6.500 4.908 1.00 0.00 H new ATOM 0 HA LYS A 34 11.594 7.604 5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.844 7.174 7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.872 5.472 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.511 5.358 8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.562 5.899 7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.581 8.324 7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.477 7.442 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.852 6.978 9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.033 7.352 7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.697 9.248 9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.335 9.653 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.160 9.290 9.793 1.00 0.00 H new ATOM 596 N PHE A 35 11.048 4.639 4.073 1.00 0.00 N ATOM 597 CA PHE A 35 11.752 3.498 3.414 1.00 0.00 C ATOM 598 C PHE A 35 12.202 3.897 2.005 1.00 0.00 C ATOM 599 O PHE A 35 13.254 3.497 1.545 1.00 0.00 O ATOM 600 CB PHE A 35 10.712 2.377 3.351 1.00 0.00 C ATOM 601 CG PHE A 35 11.335 1.138 2.755 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.252 0.387 3.499 1.00 0.00 C ATOM 603 CD2 PHE A 35 10.994 0.740 1.456 1.00 0.00 C ATOM 604 CE1 PHE A 35 12.829 -0.763 2.945 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.571 -0.409 0.902 1.00 0.00 C ATOM 606 CZ PHE A 35 12.488 -1.161 1.647 1.00 0.00 C ATOM 0 H PHE A 35 10.031 4.617 4.001 1.00 0.00 H new ATOM 0 HA PHE A 35 12.647 3.193 3.957 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.335 2.161 4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.859 2.692 2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.515 0.694 4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.286 1.319 0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.537 -1.342 3.519 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.309 -0.715 -0.100 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.932 -2.048 1.220 1.00 0.00 H new ATOM 616 N LEU A 36 11.426 4.710 1.334 1.00 0.00 N ATOM 617 CA LEU A 36 11.819 5.174 -0.034 1.00 0.00 C ATOM 618 C LEU A 36 13.148 5.935 0.025 1.00 0.00 C ATOM 619 O LEU A 36 14.023 5.736 -0.796 1.00 0.00 O ATOM 620 CB LEU A 36 10.691 6.107 -0.483 1.00 0.00 C ATOM 621 CG LEU A 36 10.410 5.900 -1.972 1.00 0.00 C ATOM 622 CD1 LEU A 36 9.196 6.736 -2.382 1.00 0.00 C ATOM 623 CD2 LEU A 36 11.629 6.334 -2.789 1.00 0.00 C ATOM 0 H LEU A 36 10.536 5.074 1.674 1.00 0.00 H new ATOM 0 HA LEU A 36 11.957 4.341 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.790 5.909 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.969 7.144 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 36 10.206 4.846 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.995 6.589 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.327 6.425 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.400 7.790 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.427 6.186 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.836 7.388 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.494 5.738 -2.497 1.00 0.00 H new ATOM 635 N GLU A 37 13.307 6.784 1.007 1.00 0.00 N ATOM 636 CA GLU A 37 14.585 7.546 1.150 1.00 0.00 C ATOM 637 C GLU A 37 15.653 6.690 1.842 1.00 0.00 C ATOM 638 O GLU A 37 16.837 6.932 1.695 1.00 0.00 O ATOM 639 CB GLU A 37 14.229 8.757 2.013 1.00 0.00 C ATOM 640 CG GLU A 37 13.725 9.891 1.119 1.00 0.00 C ATOM 641 CD GLU A 37 13.480 11.140 1.968 1.00 0.00 C ATOM 642 OE1 GLU A 37 14.331 11.455 2.784 1.00 0.00 O ATOM 643 OE2 GLU A 37 12.446 11.762 1.787 1.00 0.00 O ATOM 0 H GLU A 37 12.604 6.984 1.719 1.00 0.00 H new ATOM 0 HA GLU A 37 14.996 7.836 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.464 8.486 2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.103 9.085 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.456 10.106 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.804 9.592 0.619 1.00 0.00 H new ATOM 650 N GLU A 38 15.249 5.677 2.570 1.00 0.00 N ATOM 651 CA GLU A 38 16.245 4.787 3.240 1.00 0.00 C ATOM 652 C GLU A 38 16.821 3.784 2.237 1.00 0.00 C ATOM 653 O GLU A 38 17.952 3.353 2.361 1.00 0.00 O ATOM 654 CB GLU A 38 15.459 4.062 4.334 1.00 0.00 C ATOM 655 CG GLU A 38 15.581 4.834 5.649 1.00 0.00 C ATOM 656 CD GLU A 38 14.931 4.029 6.776 1.00 0.00 C ATOM 657 OE1 GLU A 38 15.062 2.817 6.762 1.00 0.00 O ATOM 658 OE2 GLU A 38 14.314 4.640 7.634 1.00 0.00 O ATOM 0 H GLU A 38 14.272 5.429 2.728 1.00 0.00 H new ATOM 0 HA GLU A 38 17.088 5.346 3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.411 3.976 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.840 3.048 4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.630 5.019 5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.098 5.807 5.558 1.00 0.00 H new ATOM 665 N HIS A 39 16.068 3.450 1.218 1.00 0.00 N ATOM 666 CA HIS A 39 16.587 2.521 0.171 1.00 0.00 C ATOM 667 C HIS A 39 16.779 3.275 -1.155 1.00 0.00 C ATOM 668 O HIS A 39 15.842 3.426 -1.913 1.00 0.00 O ATOM 669 CB HIS A 39 15.509 1.446 0.025 1.00 0.00 C ATOM 670 CG HIS A 39 15.678 0.416 1.108 1.00 0.00 C ATOM 671 ND1 HIS A 39 15.634 0.744 2.454 1.00 0.00 N ATOM 672 CD2 HIS A 39 15.894 -0.939 1.059 1.00 0.00 C ATOM 673 CE1 HIS A 39 15.818 -0.390 3.154 1.00 0.00 C ATOM 674 NE2 HIS A 39 15.982 -1.447 2.352 1.00 0.00 N ATOM 0 H HIS A 39 15.115 3.782 1.067 1.00 0.00 H new ATOM 0 HA HIS A 39 17.554 2.094 0.438 1.00 0.00 H new ATOM 0 HB2 HIS A 39 14.519 1.898 0.089 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.581 0.974 -0.955 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.982 -1.522 0.154 1.00 0.00 H new ATOM 0 HE1 HIS A 39 15.832 -0.440 4.233 1.00 0.00 H new ATOM 0 HE2 HIS A 39 16.138 -2.416 2.628 1.00 0.00 H new ATOM 682 N PRO A 40 17.994 3.731 -1.401 1.00 0.00 N ATOM 683 CA PRO A 40 18.289 4.478 -2.657 1.00 0.00 C ATOM 684 C PRO A 40 17.830 3.686 -3.889 1.00 0.00 C ATOM 685 O PRO A 40 18.500 2.772 -4.334 1.00 0.00 O ATOM 686 CB PRO A 40 19.810 4.616 -2.645 1.00 0.00 C ATOM 687 CG PRO A 40 20.195 4.518 -1.206 1.00 0.00 C ATOM 688 CD PRO A 40 19.192 3.606 -0.551 1.00 0.00 C ATOM 0 HA PRO A 40 17.773 5.437 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 40 20.282 3.830 -3.234 1.00 0.00 H new ATOM 0 HB3 PRO A 40 20.123 5.568 -3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 40 21.205 4.121 -1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.189 5.501 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.551 2.577 -0.515 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.987 3.909 0.476 1.00 0.00 H new ATOM 696 N GLY A 41 16.714 4.060 -4.461 1.00 0.00 N ATOM 697 CA GLY A 41 16.226 3.365 -5.688 1.00 0.00 C ATOM 698 C GLY A 41 14.760 3.730 -5.932 1.00 0.00 C ATOM 699 O GLY A 41 14.445 4.512 -6.808 1.00 0.00 O ATOM 0 H GLY A 41 16.119 4.819 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.832 3.653 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 41 16.329 2.286 -5.573 1.00 0.00 H new ATOM 703 N GLY A 42 13.868 3.196 -5.137 1.00 0.00 N ATOM 704 CA GLY A 42 12.423 3.537 -5.286 1.00 0.00 C ATOM 705 C GLY A 42 11.758 2.542 -6.240 1.00 0.00 C ATOM 706 O GLY A 42 10.753 1.938 -5.915 1.00 0.00 O ATOM 0 H GLY A 42 14.080 2.536 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.930 3.510 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.316 4.552 -5.670 1.00 0.00 H new ATOM 710 N GLU A 43 12.335 2.343 -7.396 1.00 0.00 N ATOM 711 CA GLU A 43 11.768 1.355 -8.363 1.00 0.00 C ATOM 712 C GLU A 43 12.250 -0.057 -8.021 1.00 0.00 C ATOM 713 O GLU A 43 11.469 -0.989 -7.954 1.00 0.00 O ATOM 714 CB GLU A 43 12.300 1.786 -9.729 1.00 0.00 C ATOM 715 CG GLU A 43 11.629 0.957 -10.825 1.00 0.00 C ATOM 716 CD GLU A 43 12.520 0.934 -12.068 1.00 0.00 C ATOM 717 OE1 GLU A 43 13.531 0.251 -12.034 1.00 0.00 O ATOM 718 OE2 GLU A 43 12.178 1.599 -13.032 1.00 0.00 O ATOM 0 H GLU A 43 13.177 2.823 -7.714 1.00 0.00 H new ATOM 0 HA GLU A 43 10.678 1.333 -8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.104 2.846 -9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.381 1.653 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.455 -0.059 -10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.655 1.381 -11.071 1.00 0.00 H new ATOM 725 N GLU A 44 13.526 -0.215 -7.772 1.00 0.00 N ATOM 726 CA GLU A 44 14.063 -1.560 -7.395 1.00 0.00 C ATOM 727 C GLU A 44 13.383 -2.073 -6.119 1.00 0.00 C ATOM 728 O GLU A 44 13.259 -3.265 -5.911 1.00 0.00 O ATOM 729 CB GLU A 44 15.567 -1.353 -7.164 1.00 0.00 C ATOM 730 CG GLU A 44 15.792 -0.314 -6.060 1.00 0.00 C ATOM 731 CD GLU A 44 17.254 -0.354 -5.614 1.00 0.00 C ATOM 732 OE1 GLU A 44 17.577 -1.186 -4.781 1.00 0.00 O ATOM 733 OE2 GLU A 44 18.027 0.449 -6.110 1.00 0.00 O ATOM 0 H GLU A 44 14.221 0.531 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 44 13.875 -2.303 -8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 44 16.034 -2.298 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 44 16.043 -1.023 -8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.539 0.681 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.137 -0.519 -5.214 1.00 0.00 H new ATOM 740 N VAL A 45 12.904 -1.180 -5.289 1.00 0.00 N ATOM 741 CA VAL A 45 12.184 -1.611 -4.051 1.00 0.00 C ATOM 742 C VAL A 45 10.689 -1.784 -4.345 1.00 0.00 C ATOM 743 O VAL A 45 10.280 -1.869 -5.487 1.00 0.00 O ATOM 744 CB VAL A 45 12.420 -0.488 -3.030 1.00 0.00 C ATOM 745 CG1 VAL A 45 13.920 -0.343 -2.770 1.00 0.00 C ATOM 746 CG2 VAL A 45 11.871 0.841 -3.563 1.00 0.00 C ATOM 0 H VAL A 45 12.980 -0.171 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 45 12.543 -2.569 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 45 11.904 -0.741 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 45 14.088 0.454 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 45 14.313 -1.280 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 45 14.429 -0.099 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.045 1.627 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.376 1.096 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.801 0.746 -3.745 1.00 0.00 H new ATOM 756 N LEU A 46 9.864 -1.792 -3.322 1.00 0.00 N ATOM 757 CA LEU A 46 8.381 -1.907 -3.532 1.00 0.00 C ATOM 758 C LEU A 46 8.048 -3.134 -4.389 1.00 0.00 C ATOM 759 O LEU A 46 7.033 -3.176 -5.060 1.00 0.00 O ATOM 760 CB LEU A 46 7.971 -0.618 -4.254 1.00 0.00 C ATOM 761 CG LEU A 46 6.662 -0.092 -3.667 1.00 0.00 C ATOM 762 CD1 LEU A 46 6.971 0.867 -2.516 1.00 0.00 C ATOM 763 CD2 LEU A 46 5.880 0.646 -4.756 1.00 0.00 C ATOM 0 H LEU A 46 10.155 -1.724 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 46 7.848 -2.031 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.754 0.133 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.851 -0.809 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 46 6.066 -0.925 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.038 1.243 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.530 0.340 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.565 1.702 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.945 1.023 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.474 1.481 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.663 -0.039 -5.576 1.00 0.00 H new ATOM 775 N ARG A 47 8.881 -4.145 -4.344 1.00 0.00 N ATOM 776 CA ARG A 47 8.612 -5.400 -5.123 1.00 0.00 C ATOM 777 C ARG A 47 8.356 -5.077 -6.603 1.00 0.00 C ATOM 778 O ARG A 47 7.269 -5.277 -7.113 1.00 0.00 O ATOM 779 CB ARG A 47 7.367 -6.020 -4.481 1.00 0.00 C ATOM 780 CG ARG A 47 7.454 -7.545 -4.563 1.00 0.00 C ATOM 781 CD ARG A 47 6.737 -8.032 -5.824 1.00 0.00 C ATOM 782 NE ARG A 47 7.078 -9.484 -5.926 1.00 0.00 N ATOM 783 CZ ARG A 47 8.262 -9.884 -6.346 1.00 0.00 C ATOM 784 NH1 ARG A 47 9.209 -9.026 -6.653 1.00 0.00 N ATOM 785 NH2 ARG A 47 8.499 -11.162 -6.460 1.00 0.00 N ATOM 0 H ARG A 47 9.742 -4.157 -3.798 1.00 0.00 H new ATOM 0 HA ARG A 47 9.462 -6.082 -5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.287 -5.705 -3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.469 -5.669 -4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.497 -7.860 -4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.001 -7.993 -3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.660 -7.884 -5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.072 -7.485 -6.705 1.00 0.00 H new ATOM 0 HE ARG A 47 6.380 -10.180 -5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.037 -8.024 -6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.116 -9.362 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.772 -11.838 -6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.411 -11.485 -6.784 1.00 0.00 H new ATOM 799 N GLU A 48 9.363 -4.609 -7.301 1.00 0.00 N ATOM 800 CA GLU A 48 9.211 -4.302 -8.763 1.00 0.00 C ATOM 801 C GLU A 48 8.023 -3.362 -8.999 1.00 0.00 C ATOM 802 O GLU A 48 7.328 -2.983 -8.075 1.00 0.00 O ATOM 803 CB GLU A 48 8.972 -5.655 -9.442 1.00 0.00 C ATOM 804 CG GLU A 48 9.700 -5.689 -10.788 1.00 0.00 C ATOM 805 CD GLU A 48 8.892 -6.519 -11.787 1.00 0.00 C ATOM 806 OE1 GLU A 48 7.679 -6.395 -11.786 1.00 0.00 O ATOM 807 OE2 GLU A 48 9.501 -7.266 -12.535 1.00 0.00 O ATOM 0 H GLU A 48 10.291 -4.425 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 48 10.091 -3.799 -9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.330 -6.462 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.904 -5.815 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.834 -4.676 -11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.695 -6.117 -10.664 1.00 0.00 H new ATOM 814 N GLN A 49 7.767 -3.015 -10.236 1.00 0.00 N ATOM 815 CA GLN A 49 6.601 -2.135 -10.548 1.00 0.00 C ATOM 816 C GLN A 49 6.342 -2.116 -12.056 1.00 0.00 C ATOM 817 O GLN A 49 7.127 -2.620 -12.836 1.00 0.00 O ATOM 818 CB GLN A 49 7.011 -0.746 -10.057 1.00 0.00 C ATOM 819 CG GLN A 49 5.759 0.101 -9.818 1.00 0.00 C ATOM 820 CD GLN A 49 5.995 1.040 -8.633 1.00 0.00 C ATOM 821 OE1 GLN A 49 5.278 0.992 -7.654 1.00 0.00 O ATOM 822 NE2 GLN A 49 6.978 1.897 -8.681 1.00 0.00 N ATOM 0 H GLN A 49 8.317 -3.305 -11.045 1.00 0.00 H new ATOM 0 HA GLN A 49 5.683 -2.481 -10.073 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.588 -0.830 -9.136 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.654 -0.264 -10.793 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.522 0.679 -10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.903 -0.544 -9.619 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.580 1.937 -9.503 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.144 2.527 -7.896 1.00 0.00 H new ATOM 831 N ALA A 50 5.260 -1.502 -12.476 1.00 0.00 N ATOM 832 CA ALA A 50 4.952 -1.398 -13.941 1.00 0.00 C ATOM 833 C ALA A 50 4.988 -2.781 -14.605 1.00 0.00 C ATOM 834 O ALA A 50 5.552 -2.952 -15.669 1.00 0.00 O ATOM 835 CB ALA A 50 6.043 -0.494 -14.524 1.00 0.00 C ATOM 0 H ALA A 50 4.572 -1.065 -11.863 1.00 0.00 H new ATOM 0 HA ALA A 50 3.954 -0.994 -14.114 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.881 -0.373 -15.595 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.005 0.481 -14.039 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.020 -0.946 -14.353 1.00 0.00 H new ATOM 841 N GLY A 51 4.356 -3.754 -13.999 1.00 0.00 N ATOM 842 CA GLY A 51 4.311 -5.117 -14.606 1.00 0.00 C ATOM 843 C GLY A 51 2.854 -5.551 -14.780 1.00 0.00 C ATOM 844 O GLY A 51 2.472 -6.071 -15.811 1.00 0.00 O ATOM 0 H GLY A 51 3.868 -3.662 -13.108 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.818 -5.114 -15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.840 -5.827 -13.970 1.00 0.00 H new ATOM 848 N GLY A 52 2.032 -5.308 -13.790 1.00 0.00 N ATOM 849 CA GLY A 52 0.587 -5.664 -13.904 1.00 0.00 C ATOM 850 C GLY A 52 0.405 -7.157 -13.623 1.00 0.00 C ATOM 851 O GLY A 52 -0.015 -7.911 -14.481 1.00 0.00 O ATOM 0 H GLY A 52 2.302 -4.877 -12.906 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.000 -5.076 -13.198 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.220 -5.424 -14.902 1.00 0.00 H new ATOM 855 N ASP A 53 0.684 -7.580 -12.416 1.00 0.00 N ATOM 856 CA ASP A 53 0.490 -9.016 -12.056 1.00 0.00 C ATOM 857 C ASP A 53 0.138 -9.147 -10.571 1.00 0.00 C ATOM 858 O ASP A 53 -0.130 -8.167 -9.902 1.00 0.00 O ATOM 859 CB ASP A 53 1.835 -9.683 -12.349 1.00 0.00 C ATOM 860 CG ASP A 53 1.813 -10.282 -13.755 1.00 0.00 C ATOM 861 OD1 ASP A 53 0.929 -11.077 -14.025 1.00 0.00 O ATOM 862 OD2 ASP A 53 2.682 -9.936 -14.539 1.00 0.00 O ATOM 0 H ASP A 53 1.039 -6.990 -11.663 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.324 -9.476 -12.617 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.640 -8.953 -12.266 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.034 -10.462 -11.613 1.00 0.00 H new ATOM 867 N ALA A 54 0.175 -10.345 -10.048 1.00 0.00 N ATOM 868 CA ALA A 54 -0.113 -10.544 -8.596 1.00 0.00 C ATOM 869 C ALA A 54 1.125 -10.207 -7.760 1.00 0.00 C ATOM 870 O ALA A 54 2.098 -9.679 -8.264 1.00 0.00 O ATOM 871 CB ALA A 54 -0.465 -12.026 -8.459 1.00 0.00 C ATOM 0 H ALA A 54 0.393 -11.197 -10.565 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.919 -9.900 -8.244 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.690 -12.252 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.335 -12.252 -9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.379 -12.632 -8.787 1.00 0.00 H new ATOM 877 N THR A 55 1.105 -10.541 -6.494 1.00 0.00 N ATOM 878 CA THR A 55 2.292 -10.282 -5.627 1.00 0.00 C ATOM 879 C THR A 55 2.606 -11.516 -4.776 1.00 0.00 C ATOM 880 O THR A 55 2.208 -11.606 -3.630 1.00 0.00 O ATOM 881 CB THR A 55 1.885 -9.106 -4.738 1.00 0.00 C ATOM 882 OG1 THR A 55 1.296 -8.091 -5.538 1.00 0.00 O ATOM 883 CG2 THR A 55 3.119 -8.548 -4.027 1.00 0.00 C ATOM 0 H THR A 55 0.315 -10.983 -6.024 1.00 0.00 H new ATOM 0 HA THR A 55 3.187 -10.062 -6.208 1.00 0.00 H new ATOM 0 HB THR A 55 1.165 -9.446 -3.994 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.033 -7.337 -4.969 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.826 -7.710 -3.394 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.568 -9.328 -3.412 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.843 -8.208 -4.768 1.00 0.00 H new ATOM 891 N GLU A 56 3.350 -12.447 -5.318 1.00 0.00 N ATOM 892 CA GLU A 56 3.734 -13.659 -4.532 1.00 0.00 C ATOM 893 C GLU A 56 4.722 -13.290 -3.417 1.00 0.00 C ATOM 894 O GLU A 56 4.832 -13.987 -2.425 1.00 0.00 O ATOM 895 CB GLU A 56 4.388 -14.613 -5.540 1.00 0.00 C ATOM 896 CG GLU A 56 5.593 -13.935 -6.211 1.00 0.00 C ATOM 897 CD GLU A 56 5.267 -13.619 -7.673 1.00 0.00 C ATOM 898 OE1 GLU A 56 5.250 -14.544 -8.469 1.00 0.00 O ATOM 899 OE2 GLU A 56 5.039 -12.459 -7.971 1.00 0.00 O ATOM 0 H GLU A 56 3.709 -12.420 -6.272 1.00 0.00 H new ATOM 0 HA GLU A 56 2.871 -14.115 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.709 -15.523 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.661 -14.909 -6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.847 -13.018 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.465 -14.587 -6.157 1.00 0.00 H new ATOM 906 N ASN A 57 5.411 -12.183 -3.553 1.00 0.00 N ATOM 907 CA ASN A 57 6.357 -11.748 -2.482 1.00 0.00 C ATOM 908 C ASN A 57 6.093 -10.287 -2.104 1.00 0.00 C ATOM 909 O ASN A 57 5.367 -9.585 -2.783 1.00 0.00 O ATOM 910 CB ASN A 57 7.749 -11.898 -3.097 1.00 0.00 C ATOM 911 CG ASN A 57 8.164 -13.371 -3.066 1.00 0.00 C ATOM 912 OD1 ASN A 57 7.896 -14.070 -2.110 1.00 0.00 O ATOM 913 ND2 ASN A 57 8.812 -13.874 -4.081 1.00 0.00 N ATOM 0 H ASN A 57 5.358 -11.562 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 57 6.248 -12.337 -1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.746 -11.531 -4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.469 -11.294 -2.545 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.093 -14.854 -4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.037 -13.287 -4.884 1.00 0.00 H new ATOM 920 N PHE A 58 6.706 -9.819 -1.047 1.00 0.00 N ATOM 921 CA PHE A 58 6.531 -8.392 -0.643 1.00 0.00 C ATOM 922 C PHE A 58 7.848 -7.629 -0.804 1.00 0.00 C ATOM 923 O PHE A 58 8.910 -8.138 -0.498 1.00 0.00 O ATOM 924 CB PHE A 58 6.118 -8.447 0.828 1.00 0.00 C ATOM 925 CG PHE A 58 4.689 -8.920 0.934 1.00 0.00 C ATOM 926 CD1 PHE A 58 3.670 -8.220 0.275 1.00 0.00 C ATOM 927 CD2 PHE A 58 4.381 -10.056 1.691 1.00 0.00 C ATOM 928 CE1 PHE A 58 2.344 -8.660 0.372 1.00 0.00 C ATOM 929 CE2 PHE A 58 3.055 -10.495 1.788 1.00 0.00 C ATOM 930 CZ PHE A 58 2.037 -9.796 1.129 1.00 0.00 C ATOM 0 H PHE A 58 7.322 -10.365 -0.445 1.00 0.00 H new ATOM 0 HA PHE A 58 5.791 -7.877 -1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.777 -9.121 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.220 -7.461 1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.907 -7.342 -0.307 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.166 -10.594 2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.558 -8.122 -0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.818 -11.373 2.371 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.014 -10.134 1.205 1.00 0.00 H new ATOM 940 N GLU A 59 7.782 -6.396 -1.247 1.00 0.00 N ATOM 941 CA GLU A 59 9.022 -5.562 -1.395 1.00 0.00 C ATOM 942 C GLU A 59 10.078 -6.299 -2.229 1.00 0.00 C ATOM 943 O GLU A 59 9.795 -7.305 -2.853 1.00 0.00 O ATOM 944 CB GLU A 59 9.530 -5.331 0.033 1.00 0.00 C ATOM 945 CG GLU A 59 10.096 -3.915 0.151 1.00 0.00 C ATOM 946 CD GLU A 59 11.276 -3.915 1.124 1.00 0.00 C ATOM 947 OE1 GLU A 59 12.337 -4.377 0.737 1.00 0.00 O ATOM 948 OE2 GLU A 59 11.099 -3.454 2.240 1.00 0.00 O ATOM 0 H GLU A 59 6.917 -5.927 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 59 8.816 -4.624 -1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.717 -5.470 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.299 -6.063 0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.418 -3.558 -0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.323 -3.231 0.501 1.00 0.00 H new ATOM 955 N ASP A 60 11.298 -5.825 -2.209 1.00 0.00 N ATOM 956 CA ASP A 60 12.389 -6.515 -2.961 1.00 0.00 C ATOM 957 C ASP A 60 13.336 -7.224 -1.989 1.00 0.00 C ATOM 958 O ASP A 60 13.923 -6.606 -1.120 1.00 0.00 O ATOM 959 CB ASP A 60 13.122 -5.400 -3.707 1.00 0.00 C ATOM 960 CG ASP A 60 13.917 -5.999 -4.868 1.00 0.00 C ATOM 961 OD1 ASP A 60 14.997 -6.510 -4.619 1.00 0.00 O ATOM 962 OD2 ASP A 60 13.434 -5.937 -5.986 1.00 0.00 O ATOM 0 H ASP A 60 11.586 -4.988 -1.703 1.00 0.00 H new ATOM 0 HA ASP A 60 12.005 -7.276 -3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.407 -4.668 -4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.792 -4.873 -3.028 1.00 0.00 H new ATOM 967 N VAL A 61 13.516 -8.510 -2.155 1.00 0.00 N ATOM 968 CA VAL A 61 14.460 -9.260 -1.271 1.00 0.00 C ATOM 969 C VAL A 61 15.885 -8.716 -1.438 1.00 0.00 C ATOM 970 O VAL A 61 16.180 -8.004 -2.380 1.00 0.00 O ATOM 971 CB VAL A 61 14.371 -10.723 -1.730 1.00 0.00 C ATOM 972 CG1 VAL A 61 14.779 -10.837 -3.203 1.00 0.00 C ATOM 973 CG2 VAL A 61 15.301 -11.587 -0.874 1.00 0.00 C ATOM 0 H VAL A 61 13.049 -9.074 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 61 14.207 -9.158 -0.216 1.00 0.00 H new ATOM 0 HB VAL A 61 13.344 -11.069 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.713 -11.878 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.111 -10.229 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.803 -10.485 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.237 -12.625 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.327 -11.235 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.002 -11.517 0.172 1.00 0.00 H new ATOM 983 N GLY A 62 16.775 -9.080 -0.549 1.00 0.00 N ATOM 984 CA GLY A 62 18.192 -8.625 -0.672 1.00 0.00 C ATOM 985 C GLY A 62 18.757 -8.332 0.719 1.00 0.00 C ATOM 986 O GLY A 62 18.692 -9.158 1.611 1.00 0.00 O ATOM 0 H GLY A 62 16.580 -9.673 0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 62 18.790 -9.392 -1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.245 -7.731 -1.293 1.00 0.00 H new ATOM 990 N HIS A 63 19.273 -7.146 0.920 1.00 0.00 N ATOM 991 CA HIS A 63 19.803 -6.771 2.266 1.00 0.00 C ATOM 992 C HIS A 63 18.659 -6.326 3.180 1.00 0.00 C ATOM 993 O HIS A 63 17.936 -5.396 2.874 1.00 0.00 O ATOM 994 CB HIS A 63 20.764 -5.611 2.004 1.00 0.00 C ATOM 995 CG HIS A 63 21.447 -5.225 3.287 1.00 0.00 C ATOM 996 ND1 HIS A 63 22.546 -5.914 3.777 1.00 0.00 N ATOM 997 CD2 HIS A 63 21.197 -4.225 4.195 1.00 0.00 C ATOM 998 CE1 HIS A 63 22.915 -5.325 4.929 1.00 0.00 C ATOM 999 NE2 HIS A 63 22.126 -4.290 5.230 1.00 0.00 N ATOM 0 H HIS A 63 19.350 -6.420 0.208 1.00 0.00 H new ATOM 0 HA HIS A 63 20.298 -7.606 2.762 1.00 0.00 H new ATOM 0 HB2 HIS A 63 21.505 -5.900 1.258 1.00 0.00 H new ATOM 0 HB3 HIS A 63 20.219 -4.758 1.599 1.00 0.00 H new ATOM 0 HD2 HIS A 63 20.401 -3.499 4.118 1.00 0.00 H new ATOM 0 HE1 HIS A 63 23.747 -5.649 5.536 1.00 0.00 H new ATOM 0 HE2 HIS A 63 22.190 -3.678 6.044 1.00 0.00 H new ATOM 1007 N SER A 64 18.515 -6.960 4.316 1.00 0.00 N ATOM 1008 CA SER A 64 17.448 -6.552 5.279 1.00 0.00 C ATOM 1009 C SER A 64 17.695 -7.195 6.646 1.00 0.00 C ATOM 1010 O SER A 64 17.451 -8.370 6.842 1.00 0.00 O ATOM 1011 CB SER A 64 16.147 -7.072 4.669 1.00 0.00 C ATOM 1012 OG SER A 64 16.324 -8.425 4.270 1.00 0.00 O ATOM 0 H SER A 64 19.092 -7.745 4.619 1.00 0.00 H new ATOM 0 HA SER A 64 17.423 -5.474 5.436 1.00 0.00 H new ATOM 0 HB2 SER A 64 15.337 -6.998 5.394 1.00 0.00 H new ATOM 0 HB3 SER A 64 15.864 -6.462 3.811 1.00 0.00 H new ATOM 0 HG SER A 64 16.685 -8.943 5.020 1.00 0.00 H new ATOM 1018 N THR A 65 18.138 -6.419 7.603 1.00 0.00 N ATOM 1019 CA THR A 65 18.356 -6.965 8.977 1.00 0.00 C ATOM 1020 C THR A 65 17.279 -6.440 9.933 1.00 0.00 C ATOM 1021 O THR A 65 17.576 -5.962 11.012 1.00 0.00 O ATOM 1022 CB THR A 65 19.745 -6.464 9.395 1.00 0.00 C ATOM 1023 OG1 THR A 65 20.029 -6.913 10.713 1.00 0.00 O ATOM 1024 CG2 THR A 65 19.787 -4.933 9.358 1.00 0.00 C ATOM 0 H THR A 65 18.358 -5.429 7.492 1.00 0.00 H new ATOM 0 HA THR A 65 18.296 -8.053 9.002 1.00 0.00 H new ATOM 0 HB THR A 65 20.489 -6.856 8.702 1.00 0.00 H new ATOM 0 HG1 THR A 65 19.308 -6.636 11.316 1.00 0.00 H new ATOM 0 HG21 THR A 65 20.777 -4.589 9.656 1.00 0.00 H new ATOM 0 HG22 THR A 65 19.572 -4.587 8.347 1.00 0.00 H new ATOM 0 HG23 THR A 65 19.041 -4.532 10.044 1.00 0.00 H new ATOM 1032 N ASP A 66 16.032 -6.562 9.556 1.00 0.00 N ATOM 1033 CA ASP A 66 14.925 -6.111 10.453 1.00 0.00 C ATOM 1034 C ASP A 66 14.195 -7.322 11.046 1.00 0.00 C ATOM 1035 O ASP A 66 14.682 -8.435 10.994 1.00 0.00 O ATOM 1036 CB ASP A 66 13.988 -5.293 9.554 1.00 0.00 C ATOM 1037 CG ASP A 66 13.478 -6.160 8.397 1.00 0.00 C ATOM 1038 OD1 ASP A 66 14.300 -6.625 7.625 1.00 0.00 O ATOM 1039 OD2 ASP A 66 12.276 -6.343 8.306 1.00 0.00 O ATOM 0 H ASP A 66 15.732 -6.955 8.664 1.00 0.00 H new ATOM 0 HA ASP A 66 15.289 -5.523 11.295 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.146 -4.919 10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.515 -4.423 9.162 1.00 0.00 H new ATOM 1044 N ALA A 67 13.018 -7.112 11.582 1.00 0.00 N ATOM 1045 CA ALA A 67 12.233 -8.254 12.150 1.00 0.00 C ATOM 1046 C ALA A 67 11.934 -9.288 11.060 1.00 0.00 C ATOM 1047 O ALA A 67 12.127 -10.473 11.251 1.00 0.00 O ATOM 1048 CB ALA A 67 10.935 -7.633 12.669 1.00 0.00 C ATOM 0 H ALA A 67 12.566 -6.200 11.651 1.00 0.00 H new ATOM 0 HA ALA A 67 12.778 -8.772 12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.306 -8.412 13.101 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.167 -6.889 13.431 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.405 -7.155 11.845 1.00 0.00 H new ATOM 1054 N ARG A 68 11.506 -8.839 9.906 1.00 0.00 N ATOM 1055 CA ARG A 68 11.241 -9.787 8.779 1.00 0.00 C ATOM 1056 C ARG A 68 10.999 -9.023 7.471 1.00 0.00 C ATOM 1057 O ARG A 68 11.447 -9.436 6.417 1.00 0.00 O ATOM 1058 CB ARG A 68 9.991 -10.577 9.190 1.00 0.00 C ATOM 1059 CG ARG A 68 8.816 -9.626 9.446 1.00 0.00 C ATOM 1060 CD ARG A 68 8.023 -9.425 8.152 1.00 0.00 C ATOM 1061 NE ARG A 68 6.826 -10.310 8.291 1.00 0.00 N ATOM 1062 CZ ARG A 68 5.856 -10.025 9.137 1.00 0.00 C ATOM 1063 NH1 ARG A 68 5.915 -8.977 9.926 1.00 0.00 N ATOM 1064 NH2 ARG A 68 4.811 -10.805 9.193 1.00 0.00 N ATOM 0 H ARG A 68 11.329 -7.857 9.695 1.00 0.00 H new ATOM 0 HA ARG A 68 12.090 -10.446 8.599 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.728 -11.287 8.406 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.199 -11.157 10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.168 -10.034 10.221 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.185 -8.667 9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.731 -8.383 8.026 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.616 -9.697 7.279 1.00 0.00 H new ATOM 0 HE ARG A 68 6.758 -11.152 7.719 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.726 -8.359 9.894 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.150 -8.781 10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.752 -11.623 8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.053 -10.596 9.843 1.00 0.00 H new ATOM 1078 N GLU A 69 10.342 -7.890 7.535 1.00 0.00 N ATOM 1079 CA GLU A 69 10.126 -7.073 6.302 1.00 0.00 C ATOM 1080 C GLU A 69 9.643 -5.670 6.676 1.00 0.00 C ATOM 1081 O GLU A 69 9.054 -5.466 7.721 1.00 0.00 O ATOM 1082 CB GLU A 69 9.050 -7.821 5.513 1.00 0.00 C ATOM 1083 CG GLU A 69 9.121 -7.413 4.040 1.00 0.00 C ATOM 1084 CD GLU A 69 8.264 -8.366 3.205 1.00 0.00 C ATOM 1085 OE1 GLU A 69 7.084 -8.476 3.492 1.00 0.00 O ATOM 1086 OE2 GLU A 69 8.804 -8.970 2.292 1.00 0.00 O ATOM 0 H GLU A 69 9.946 -7.497 8.389 1.00 0.00 H new ATOM 0 HA GLU A 69 11.041 -6.949 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.194 -8.897 5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.064 -7.594 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.769 -6.389 3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.154 -7.438 3.694 1.00 0.00 H new ATOM 1093 N LEU A 70 9.867 -4.708 5.816 1.00 0.00 N ATOM 1094 CA LEU A 70 9.397 -3.318 6.098 1.00 0.00 C ATOM 1095 C LEU A 70 7.922 -3.167 5.714 1.00 0.00 C ATOM 1096 O LEU A 70 7.197 -2.389 6.305 1.00 0.00 O ATOM 1097 CB LEU A 70 10.276 -2.418 5.220 1.00 0.00 C ATOM 1098 CG LEU A 70 11.447 -1.848 6.037 1.00 0.00 C ATOM 1099 CD1 LEU A 70 10.913 -0.997 7.192 1.00 0.00 C ATOM 1100 CD2 LEU A 70 12.299 -2.992 6.599 1.00 0.00 C ATOM 0 H LEU A 70 10.356 -4.826 4.929 1.00 0.00 H new ATOM 0 HA LEU A 70 9.476 -3.062 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.659 -2.988 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.679 -1.603 4.812 1.00 0.00 H new ATOM 0 HG LEU A 70 12.061 -1.227 5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.749 -0.597 7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.319 -0.174 6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.290 -1.613 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.126 -2.580 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.685 -3.621 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.693 -3.590 5.777 1.00 0.00 H new ATOM 1112 N SER A 71 7.468 -3.932 4.754 1.00 0.00 N ATOM 1113 CA SER A 71 6.027 -3.867 4.356 1.00 0.00 C ATOM 1114 C SER A 71 5.150 -4.506 5.438 1.00 0.00 C ATOM 1115 O SER A 71 4.472 -5.489 5.202 1.00 0.00 O ATOM 1116 CB SER A 71 5.935 -4.657 3.049 1.00 0.00 C ATOM 1117 OG SER A 71 6.721 -5.836 3.157 1.00 0.00 O ATOM 0 H SER A 71 8.032 -4.599 4.228 1.00 0.00 H new ATOM 0 HA SER A 71 5.680 -2.841 4.232 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.897 -4.916 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.286 -4.047 2.216 1.00 0.00 H new ATOM 0 HG SER A 71 6.135 -6.608 3.303 1.00 0.00 H new ATOM 1123 N LYS A 72 5.127 -3.925 6.612 1.00 0.00 N ATOM 1124 CA LYS A 72 4.260 -4.462 7.704 1.00 0.00 C ATOM 1125 C LYS A 72 4.198 -3.466 8.865 1.00 0.00 C ATOM 1126 O LYS A 72 3.146 -3.214 9.422 1.00 0.00 O ATOM 1127 CB LYS A 72 4.936 -5.760 8.149 1.00 0.00 C ATOM 1128 CG LYS A 72 4.078 -6.444 9.215 1.00 0.00 C ATOM 1129 CD LYS A 72 3.155 -7.467 8.550 1.00 0.00 C ATOM 1130 CE LYS A 72 2.249 -8.101 9.608 1.00 0.00 C ATOM 1131 NZ LYS A 72 0.952 -8.334 8.912 1.00 0.00 N ATOM 0 H LYS A 72 5.673 -3.100 6.861 1.00 0.00 H new ATOM 0 HA LYS A 72 3.236 -4.630 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.071 -6.424 7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.928 -5.548 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.716 -6.937 9.949 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.488 -5.702 9.753 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.552 -6.983 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.746 -8.237 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.670 -9.034 9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.124 -7.442 10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.276 -8.768 9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.572 -7.427 8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.102 -8.970 8.103 1.00 0.00 H new ATOM 1145 N THR A 73 5.314 -2.873 9.206 1.00 0.00 N ATOM 1146 CA THR A 73 5.325 -1.856 10.301 1.00 0.00 C ATOM 1147 C THR A 73 5.234 -0.440 9.722 1.00 0.00 C ATOM 1148 O THR A 73 4.780 0.477 10.380 1.00 0.00 O ATOM 1149 CB THR A 73 6.664 -2.058 11.012 1.00 0.00 C ATOM 1150 OG1 THR A 73 7.691 -2.228 10.044 1.00 0.00 O ATOM 1151 CG2 THR A 73 6.590 -3.299 11.903 1.00 0.00 C ATOM 0 H THR A 73 6.220 -3.050 8.772 1.00 0.00 H new ATOM 0 HA THR A 73 4.478 -1.973 10.977 1.00 0.00 H new ATOM 0 HB THR A 73 6.884 -1.186 11.627 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.550 -2.356 10.498 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.545 -3.441 12.409 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.802 -3.168 12.645 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.370 -4.174 11.291 1.00 0.00 H new ATOM 1159 N TYR A 74 5.635 -0.263 8.486 1.00 0.00 N ATOM 1160 CA TYR A 74 5.545 1.086 7.849 1.00 0.00 C ATOM 1161 C TYR A 74 4.200 1.246 7.134 1.00 0.00 C ATOM 1162 O TYR A 74 4.138 1.696 6.004 1.00 0.00 O ATOM 1163 CB TYR A 74 6.697 1.122 6.842 1.00 0.00 C ATOM 1164 CG TYR A 74 7.987 1.443 7.559 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.489 0.567 8.529 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.685 2.617 7.250 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.685 0.866 9.192 1.00 0.00 C ATOM 1168 CE2 TYR A 74 9.882 2.916 7.912 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.382 2.041 8.883 1.00 0.00 C ATOM 1170 OH TYR A 74 11.561 2.335 9.536 1.00 0.00 O ATOM 0 H TYR A 74 6.021 -0.996 7.891 1.00 0.00 H new ATOM 0 HA TYR A 74 5.613 1.894 8.578 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.780 0.161 6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.500 1.871 6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.953 -0.340 8.766 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.300 3.292 6.500 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.070 0.191 9.942 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.419 3.822 7.673 1.00 0.00 H new ATOM 0 HH TYR A 74 11.916 3.185 9.202 1.00 0.00 H new ATOM 1180 N ILE A 75 3.121 0.912 7.797 1.00 0.00 N ATOM 1181 CA ILE A 75 1.770 1.076 7.176 1.00 0.00 C ATOM 1182 C ILE A 75 0.985 2.163 7.919 1.00 0.00 C ATOM 1183 O ILE A 75 1.316 2.524 9.033 1.00 0.00 O ATOM 1184 CB ILE A 75 1.086 -0.289 7.326 1.00 0.00 C ATOM 1185 CG1 ILE A 75 1.948 -1.379 6.677 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.277 -0.256 6.633 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.346 -2.753 6.978 1.00 0.00 C ATOM 0 H ILE A 75 3.117 0.532 8.744 1.00 0.00 H new ATOM 0 HA ILE A 75 1.827 1.380 6.131 1.00 0.00 H new ATOM 0 HB ILE A 75 0.959 -0.507 8.386 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.001 -1.222 5.600 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.968 -1.326 7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.763 -1.226 6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.899 0.514 7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.142 -0.032 5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.959 -3.528 6.517 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.316 -2.909 8.056 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.334 -2.803 6.576 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.057 2.677 7.316 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.875 3.734 7.991 1.00 0.00 C ATOM 1201 C ILE A 76 -2.327 3.275 8.167 1.00 0.00 C ATOM 1202 O ILE A 76 -2.982 3.631 9.129 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.800 4.958 7.070 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.324 4.600 5.674 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.653 5.421 6.964 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.384 5.859 4.808 1.00 0.00 C ATOM 0 H ILE A 76 -0.378 2.411 6.385 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.499 3.955 8.990 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.414 5.757 7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.674 3.858 5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.315 4.152 5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.711 6.291 6.310 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.024 5.686 7.954 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.262 4.616 6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.757 5.601 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.052 6.586 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.386 6.288 4.720 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.829 2.473 7.261 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.229 1.971 7.392 1.00 0.00 C ATOM 1220 C GLY A 77 -4.568 1.076 6.200 1.00 0.00 C ATOM 1221 O GLY A 77 -3.691 0.529 5.558 1.00 0.00 O ATOM 0 H GLY A 77 -2.328 2.145 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.340 1.413 8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.924 2.810 7.439 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.831 0.955 5.878 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.230 0.131 4.699 1.00 0.00 C ATOM 1227 C GLU A 78 -7.108 0.949 3.748 1.00 0.00 C ATOM 1228 O GLU A 78 -7.243 2.149 3.890 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.025 -1.041 5.278 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.130 -2.280 5.363 1.00 0.00 C ATOM 1231 CD GLU A 78 -6.829 -3.360 6.190 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -7.520 -3.004 7.131 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -6.663 -4.525 5.869 1.00 0.00 O ATOM 0 H GLU A 78 -6.603 1.392 6.382 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.365 -0.204 4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.401 -0.784 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.892 -1.249 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.915 -2.656 4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.174 -2.020 5.818 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.742 0.293 2.809 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.661 1.006 1.876 1.00 0.00 C ATOM 1242 C LEU A 79 -10.115 0.628 2.179 1.00 0.00 C ATOM 1243 O LEU A 79 -10.389 -0.431 2.711 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.255 0.521 0.478 1.00 0.00 C ATOM 1245 CG LEU A 79 -9.165 1.150 -0.582 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -8.964 2.664 -0.598 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -8.817 0.579 -1.957 1.00 0.00 C ATOM 0 H LEU A 79 -7.661 -0.711 2.649 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.590 2.090 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.216 0.786 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.322 -0.566 0.428 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.204 0.924 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.612 3.109 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.212 3.074 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.924 2.891 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.464 1.026 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.777 0.804 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.962 -0.501 -1.950 1.00 0.00 H new ATOM 1259 N HIS A 80 -11.047 1.456 1.778 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.488 1.112 1.964 1.00 0.00 C ATOM 1261 C HIS A 80 -12.958 0.209 0.807 1.00 0.00 C ATOM 1262 O HIS A 80 -12.632 0.466 -0.336 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.219 2.455 1.940 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.541 2.323 2.647 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.672 1.838 2.015 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -14.928 2.618 3.932 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.677 1.854 2.905 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.279 2.320 4.092 1.00 0.00 N ATOM 0 H HIS A 80 -10.871 2.355 1.330 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.677 0.569 2.890 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.611 3.220 2.424 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.376 2.777 0.910 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.283 3.019 4.700 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.684 1.530 2.688 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.843 2.433 4.934 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.700 -0.833 1.128 1.00 0.00 N ATOM 1277 CA PRO A 81 -14.189 -1.774 0.079 1.00 0.00 C ATOM 1278 C PRO A 81 -14.940 -1.041 -1.041 1.00 0.00 C ATOM 1279 O PRO A 81 -15.106 -1.568 -2.124 1.00 0.00 O ATOM 1280 CB PRO A 81 -15.143 -2.696 0.839 1.00 0.00 C ATOM 1281 CG PRO A 81 -14.688 -2.632 2.258 1.00 0.00 C ATOM 1282 CD PRO A 81 -14.150 -1.244 2.471 1.00 0.00 C ATOM 0 HA PRO A 81 -13.370 -2.301 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.176 -2.364 0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.098 -3.715 0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.513 -2.837 2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.920 -3.380 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.916 -0.573 2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.329 -1.239 3.188 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.440 0.140 -0.776 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.237 0.874 -1.813 1.00 0.00 C ATOM 1292 C ASP A 82 -15.384 1.223 -3.046 1.00 0.00 C ATOM 1293 O ASP A 82 -15.911 1.598 -4.077 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.739 2.149 -1.117 1.00 0.00 C ATOM 1295 CG ASP A 82 -15.564 2.978 -0.576 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -14.455 2.798 -1.047 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -15.802 3.786 0.307 1.00 0.00 O ATOM 0 H ASP A 82 -15.332 0.629 0.112 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.058 0.261 -2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.318 2.748 -1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.408 1.882 -0.299 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.080 1.112 -2.952 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.208 1.446 -4.119 1.00 0.00 C ATOM 1304 C ASP A 83 -12.277 0.279 -4.475 1.00 0.00 C ATOM 1305 O ASP A 83 -11.537 0.348 -5.437 1.00 0.00 O ATOM 1306 CB ASP A 83 -12.388 2.642 -3.649 1.00 0.00 C ATOM 1307 CG ASP A 83 -13.319 3.822 -3.357 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -14.239 4.030 -4.131 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.097 4.496 -2.364 1.00 0.00 O ATOM 0 H ASP A 83 -13.583 0.804 -2.116 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.794 1.654 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.825 2.380 -2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.661 2.920 -4.412 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.306 -0.793 -3.715 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.423 -1.969 -4.020 1.00 0.00 C ATOM 1316 C ARG A 84 -11.566 -2.397 -5.490 1.00 0.00 C ATOM 1317 O ARG A 84 -12.356 -1.846 -6.231 1.00 0.00 O ATOM 1318 CB ARG A 84 -11.900 -3.090 -3.086 1.00 0.00 C ATOM 1319 CG ARG A 84 -10.695 -3.738 -2.396 1.00 0.00 C ATOM 1320 CD ARG A 84 -10.504 -3.121 -1.007 1.00 0.00 C ATOM 1321 NE ARG A 84 -11.059 -4.134 -0.055 1.00 0.00 N ATOM 1322 CZ ARG A 84 -11.468 -3.793 1.152 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -11.366 -2.560 1.592 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -11.984 -4.705 1.929 1.00 0.00 N ATOM 0 H ARG A 84 -12.903 -0.905 -2.896 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.371 -1.730 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.585 -2.687 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.452 -3.839 -3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.848 -4.814 -2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.797 -3.591 -2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.451 -2.923 -0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.029 -2.170 -0.922 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.122 -5.110 -0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.962 -1.838 0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.691 -2.325 2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.067 -5.667 1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.304 -4.456 2.865 1.00 0.00 H new ATOM 1338 N SER A 85 -10.788 -3.360 -5.912 1.00 0.00 N ATOM 1339 CA SER A 85 -10.845 -3.817 -7.338 1.00 0.00 C ATOM 1340 C SER A 85 -12.265 -4.247 -7.728 1.00 0.00 C ATOM 1341 O SER A 85 -12.615 -5.408 -7.645 1.00 0.00 O ATOM 1342 CB SER A 85 -9.891 -5.009 -7.417 1.00 0.00 C ATOM 1343 OG SER A 85 -9.981 -5.600 -8.707 1.00 0.00 O ATOM 0 H SER A 85 -10.112 -3.853 -5.329 1.00 0.00 H new ATOM 0 HA SER A 85 -10.565 -3.016 -8.023 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.869 -4.684 -7.224 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.143 -5.742 -6.651 1.00 0.00 H new ATOM 0 HG SER A 85 -9.369 -6.364 -8.760 1.00 0.00 H new ATOM 1349 N LYS A 86 -13.058 -3.327 -8.232 1.00 0.00 N ATOM 1350 CA LYS A 86 -14.428 -3.676 -8.726 1.00 0.00 C ATOM 1351 C LYS A 86 -15.242 -4.347 -7.623 1.00 0.00 C ATOM 1352 O LYS A 86 -15.303 -5.558 -7.526 1.00 0.00 O ATOM 1353 CB LYS A 86 -14.222 -4.625 -9.915 1.00 0.00 C ATOM 1354 CG LYS A 86 -13.358 -3.939 -10.981 1.00 0.00 C ATOM 1355 CD LYS A 86 -14.088 -2.706 -11.525 1.00 0.00 C ATOM 1356 CE LYS A 86 -13.651 -1.461 -10.744 1.00 0.00 C ATOM 1357 NZ LYS A 86 -13.389 -0.425 -11.782 1.00 0.00 N ATOM 0 H LYS A 86 -12.810 -2.342 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 86 -14.984 -2.787 -9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.741 -5.544 -9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.186 -4.906 -10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.400 -3.646 -10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.145 -4.635 -11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.867 -2.579 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.166 -2.842 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.428 -1.137 -10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.758 -1.660 -10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.085 0.457 -11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.641 -0.757 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.258 -0.251 -12.326 1.00 0.00 H new ATOM 1371 N ILE A 87 -15.926 -3.555 -6.845 1.00 0.00 N ATOM 1372 CA ILE A 87 -16.824 -4.119 -5.793 1.00 0.00 C ATOM 1373 C ILE A 87 -18.284 -3.782 -6.111 1.00 0.00 C ATOM 1374 O ILE A 87 -18.967 -3.141 -5.333 1.00 0.00 O ATOM 1375 CB ILE A 87 -16.393 -3.466 -4.473 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -16.484 -1.916 -4.594 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -14.976 -3.937 -4.101 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -15.164 -1.277 -5.070 1.00 0.00 C ATOM 0 H ILE A 87 -15.903 -2.536 -6.891 1.00 0.00 H new ATOM 0 HA ILE A 87 -16.749 -5.205 -5.738 1.00 0.00 H new ATOM 0 HB ILE A 87 -17.064 -3.770 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.281 -1.656 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -16.758 -1.496 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -14.672 -3.472 -3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.971 -5.021 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.279 -3.652 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -15.286 -0.196 -5.136 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -14.370 -1.510 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -14.901 -1.673 -6.051 1.00 0.00 H new ATOM 1390 N ALA A 88 -18.778 -4.247 -7.230 1.00 0.00 N ATOM 1391 CA ALA A 88 -20.207 -3.999 -7.587 1.00 0.00 C ATOM 1392 C ALA A 88 -21.112 -5.005 -6.869 1.00 0.00 C ATOM 1393 O ALA A 88 -21.075 -6.190 -7.142 1.00 0.00 O ATOM 1394 CB ALA A 88 -20.279 -4.198 -9.101 1.00 0.00 C ATOM 0 H ALA A 88 -18.251 -4.790 -7.914 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.540 -3.004 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -21.301 -4.033 -9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -19.613 -3.489 -9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.974 -5.215 -9.349 1.00 0.00 H new ATOM 1400 N LYS A 89 -21.949 -4.532 -5.981 1.00 0.00 N ATOM 1401 CA LYS A 89 -22.893 -5.446 -5.270 1.00 0.00 C ATOM 1402 C LYS A 89 -24.128 -5.718 -6.144 1.00 0.00 C ATOM 1403 O LYS A 89 -24.299 -5.091 -7.171 1.00 0.00 O ATOM 1404 CB LYS A 89 -23.289 -4.697 -3.999 1.00 0.00 C ATOM 1405 CG LYS A 89 -22.287 -5.010 -2.886 1.00 0.00 C ATOM 1406 CD LYS A 89 -22.259 -3.855 -1.883 1.00 0.00 C ATOM 1407 CE LYS A 89 -23.491 -3.934 -0.979 1.00 0.00 C ATOM 1408 NZ LYS A 89 -23.524 -2.629 -0.260 1.00 0.00 N ATOM 0 H LYS A 89 -22.019 -3.549 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.443 -6.413 -5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -23.313 -3.624 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -24.293 -4.988 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.565 -5.936 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.294 -5.162 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -21.351 -3.903 -1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.243 -2.901 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -24.399 -4.087 -1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -23.416 -4.768 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -24.343 -2.606 0.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.650 -2.514 0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -23.603 -1.855 -0.950 1.00 0.00 H new ATOM 1422 N PRO A 90 -24.959 -6.648 -5.713 1.00 0.00 N ATOM 1423 CA PRO A 90 -26.189 -6.989 -6.485 1.00 0.00 C ATOM 1424 C PRO A 90 -27.018 -5.733 -6.783 1.00 0.00 C ATOM 1425 O PRO A 90 -26.635 -4.630 -6.436 1.00 0.00 O ATOM 1426 CB PRO A 90 -26.953 -7.924 -5.549 1.00 0.00 C ATOM 1427 CG PRO A 90 -25.910 -8.513 -4.657 1.00 0.00 C ATOM 1428 CD PRO A 90 -24.843 -7.465 -4.491 1.00 0.00 C ATOM 0 HA PRO A 90 -25.966 -7.439 -7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -27.703 -7.381 -4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -27.478 -8.699 -6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -26.336 -8.788 -3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -25.496 -9.422 -5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -25.005 -6.868 -3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -23.853 -7.913 -4.402 1.00 0.00 H new ATOM 1436 N SER A 91 -28.167 -5.899 -7.387 1.00 0.00 N ATOM 1437 CA SER A 91 -29.048 -4.727 -7.671 1.00 0.00 C ATOM 1438 C SER A 91 -30.208 -4.685 -6.672 1.00 0.00 C ATOM 1439 O SER A 91 -31.355 -4.559 -7.049 1.00 0.00 O ATOM 1440 CB SER A 91 -29.568 -4.958 -9.089 1.00 0.00 C ATOM 1441 OG SER A 91 -28.496 -5.390 -9.918 1.00 0.00 O ATOM 0 H SER A 91 -28.534 -6.799 -7.697 1.00 0.00 H new ATOM 0 HA SER A 91 -28.518 -3.779 -7.582 1.00 0.00 H new ATOM 0 HB2 SER A 91 -30.361 -5.706 -9.081 1.00 0.00 H new ATOM 0 HB3 SER A 91 -30.001 -4.039 -9.484 1.00 0.00 H new ATOM 0 HG SER A 91 -28.827 -5.541 -10.828 1.00 0.00 H new ATOM 1447 N GLU A 92 -29.906 -4.749 -5.397 1.00 0.00 N ATOM 1448 CA GLU A 92 -30.970 -4.672 -4.341 1.00 0.00 C ATOM 1449 C GLU A 92 -32.030 -5.769 -4.553 1.00 0.00 C ATOM 1450 O GLU A 92 -31.921 -6.847 -4.000 1.00 0.00 O ATOM 1451 CB GLU A 92 -31.581 -3.268 -4.464 1.00 0.00 C ATOM 1452 CG GLU A 92 -30.774 -2.285 -3.616 1.00 0.00 C ATOM 1453 CD GLU A 92 -31.064 -0.855 -4.077 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -32.201 -0.433 -3.953 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -30.143 -0.207 -4.547 1.00 0.00 O ATOM 0 H GLU A 92 -28.957 -4.852 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 92 -30.562 -4.835 -3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -31.582 -2.950 -5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -32.620 -3.282 -4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -31.033 -2.399 -2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -29.709 -2.499 -3.707 1.00 0.00 H new ATOM 1462 N THR A 93 -33.028 -5.522 -5.370 1.00 0.00 N ATOM 1463 CA THR A 93 -34.057 -6.571 -5.640 1.00 0.00 C ATOM 1464 C THR A 93 -33.554 -7.546 -6.706 1.00 0.00 C ATOM 1465 O THR A 93 -32.570 -7.291 -7.376 1.00 0.00 O ATOM 1466 CB THR A 93 -35.281 -5.805 -6.146 1.00 0.00 C ATOM 1467 OG1 THR A 93 -35.486 -4.656 -5.337 1.00 0.00 O ATOM 1468 CG2 THR A 93 -36.514 -6.707 -6.078 1.00 0.00 C ATOM 0 H THR A 93 -33.172 -4.639 -5.860 1.00 0.00 H new ATOM 0 HA THR A 93 -34.285 -7.163 -4.753 1.00 0.00 H new ATOM 0 HB THR A 93 -35.116 -5.497 -7.179 1.00 0.00 H new ATOM 0 HG1 THR A 93 -36.269 -4.163 -5.661 1.00 0.00 H new ATOM 0 HG21 THR A 93 -37.385 -6.160 -6.439 1.00 0.00 H new ATOM 0 HG22 THR A 93 -36.355 -7.588 -6.700 1.00 0.00 H new ATOM 0 HG23 THR A 93 -36.682 -7.017 -5.047 1.00 0.00 H new ATOM 1476 N LEU A 94 -34.245 -8.642 -6.894 1.00 0.00 N ATOM 1477 CA LEU A 94 -33.839 -9.619 -7.949 1.00 0.00 C ATOM 1478 C LEU A 94 -34.368 -9.174 -9.314 1.00 0.00 C ATOM 1479 O LEU A 94 -35.569 -8.991 -9.432 1.00 0.00 O ATOM 1480 CB LEU A 94 -34.481 -10.943 -7.530 1.00 0.00 C ATOM 1481 CG LEU A 94 -33.550 -12.100 -7.895 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -33.988 -13.362 -7.150 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -33.618 -12.350 -9.403 1.00 0.00 C ATOM 1484 OXT LEU A 94 -33.564 -9.023 -10.218 1.00 0.00 O ATOM 0 H LEU A 94 -35.075 -8.903 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 94 -32.756 -9.702 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -34.674 -10.942 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -35.443 -11.066 -8.027 1.00 0.00 H new ATOM 0 HG LEU A 94 -32.528 -11.848 -7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -33.325 -14.187 -7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -33.942 -13.185 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -35.010 -13.615 -7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -32.955 -13.174 -9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -34.640 -12.603 -9.684 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -33.307 -11.451 -9.935 1.00 0.00 H new TER 1496 LEU A 94