USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 623 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 44 HIS : no HE2:sc= 1.69 K(o=2.6,f=-5!) USER MOD Set 1.2: A 46 TYR OH : rot 100:sc= 0.897 USER MOD Set 2.1: A 11 LYS NZ :NH3+ 142:sc= -1.13 (180deg=-3.56!) USER MOD Set 2.2: A 28 SER OG : rot 151:sc= 0.495 USER MOD Single : A 1 GLU N :NH3+ -176:sc= 1.16 (180deg=0.937) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 45:sc= 1.24 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.091 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -0.0933 (180deg=-0.637) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.261 K(o=0.26,f=-5.2!) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= 1.11 (180deg=0.824) USER MOD Single : A 25 TYR OH : rot 71:sc= 1.23 USER MOD Single : A 30 LYS NZ :NH3+ -169:sc=-0.00865 (180deg=-0.143) USER MOD Single : A 31 SER OG : rot 180:sc= -0.115 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc= 1.31 USER MOD Single : A 49 ASN : amide:sc= -0.0573 K(o=-0.057,f=-4.8!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -106:sc= 0.618 (180deg=0.338) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0092 X(o=-0.0092,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.998 0.104 -15.591 1.00 0.00 N ATOM 2 CA GLU A 1 16.923 0.886 -16.816 1.00 0.00 C ATOM 3 C GLU A 1 15.816 0.347 -17.692 1.00 0.00 C ATOM 4 O GLU A 1 15.360 -0.787 -17.468 1.00 0.00 O ATOM 5 CB GLU A 1 18.263 0.901 -17.573 1.00 0.00 C ATOM 6 CG GLU A 1 19.385 1.685 -16.883 1.00 0.00 C ATOM 7 CD GLU A 1 20.009 0.990 -15.693 1.00 0.00 C ATOM 8 OE1 GLU A 1 19.328 0.774 -14.681 1.00 0.00 O ATOM 9 OE2 GLU A 1 21.197 0.655 -15.758 1.00 0.00 O ATOM 0 H1 GLU A 1 17.714 0.516 -14.959 1.00 0.00 H new ATOM 0 H2 GLU A 1 16.072 0.111 -15.117 1.00 0.00 H new ATOM 0 H3 GLU A 1 17.262 -0.876 -15.820 1.00 0.00 H new ATOM 0 HA GLU A 1 16.702 1.919 -16.548 1.00 0.00 H new ATOM 0 HB2 GLU A 1 18.594 -0.128 -17.717 1.00 0.00 H new ATOM 0 HB3 GLU A 1 18.099 1.325 -18.564 1.00 0.00 H new ATOM 0 HG2 GLU A 1 20.166 1.893 -17.614 1.00 0.00 H new ATOM 0 HG3 GLU A 1 18.989 2.647 -16.557 1.00 0.00 H new ATOM 18 N ASP A 2 15.361 1.163 -18.653 1.00 0.00 N ATOM 19 CA ASP A 2 14.307 0.793 -19.633 1.00 0.00 C ATOM 20 C ASP A 2 12.960 0.562 -18.981 1.00 0.00 C ATOM 21 O ASP A 2 12.074 -0.101 -19.549 1.00 0.00 O ATOM 22 CB ASP A 2 14.708 -0.422 -20.498 1.00 0.00 C ATOM 23 CG ASP A 2 15.756 -0.091 -21.529 1.00 0.00 C ATOM 24 OD1 ASP A 2 16.951 -0.116 -21.212 1.00 0.00 O ATOM 25 OD2 ASP A 2 15.389 0.213 -22.692 1.00 0.00 O ATOM 0 H ASP A 2 15.713 2.112 -18.781 1.00 0.00 H new ATOM 0 HA ASP A 2 14.208 1.654 -20.294 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.082 -1.215 -19.850 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.822 -0.811 -21.000 1.00 0.00 H new ATOM 30 N MET A 3 12.773 1.144 -17.828 1.00 0.00 N ATOM 31 CA MET A 3 11.544 0.999 -17.101 1.00 0.00 C ATOM 32 C MET A 3 11.364 2.168 -16.174 1.00 0.00 C ATOM 33 O MET A 3 12.294 2.954 -15.963 1.00 0.00 O ATOM 34 CB MET A 3 11.507 -0.328 -16.302 1.00 0.00 C ATOM 35 CG MET A 3 12.577 -0.456 -15.221 1.00 0.00 C ATOM 36 SD MET A 3 12.492 -2.033 -14.348 1.00 0.00 S ATOM 37 CE MET A 3 13.884 -1.882 -13.224 1.00 0.00 C ATOM 0 H MET A 3 13.468 1.731 -17.367 1.00 0.00 H new ATOM 0 HA MET A 3 10.725 0.973 -17.820 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.527 -0.428 -15.836 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.614 -1.159 -17.000 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.562 -0.348 -15.675 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.465 0.358 -14.505 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.960 -2.783 -12.616 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.802 -1.752 -13.797 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.736 -1.019 -12.575 1.00 0.00 H new ATOM 47 N GLU A 4 10.189 2.286 -15.649 1.00 0.00 N ATOM 48 CA GLU A 4 9.857 3.302 -14.693 1.00 0.00 C ATOM 49 C GLU A 4 10.013 2.689 -13.316 1.00 0.00 C ATOM 50 O GLU A 4 9.864 1.460 -13.183 1.00 0.00 O ATOM 51 CB GLU A 4 8.412 3.725 -14.919 1.00 0.00 C ATOM 52 CG GLU A 4 8.185 4.338 -16.276 1.00 0.00 C ATOM 53 CD GLU A 4 6.738 4.396 -16.655 1.00 0.00 C ATOM 54 OE1 GLU A 4 6.058 5.393 -16.355 1.00 0.00 O ATOM 55 OE2 GLU A 4 6.251 3.439 -17.288 1.00 0.00 O ATOM 0 H GLU A 4 9.411 1.666 -15.875 1.00 0.00 H new ATOM 0 HA GLU A 4 10.500 4.176 -14.791 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.763 2.857 -14.805 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.124 4.441 -14.150 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.599 5.346 -16.287 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.729 3.762 -17.025 1.00 0.00 H new ATOM 62 N PRO A 5 10.346 3.478 -12.284 1.00 0.00 N ATOM 63 CA PRO A 5 10.481 2.961 -10.933 1.00 0.00 C ATOM 64 C PRO A 5 9.132 2.496 -10.416 1.00 0.00 C ATOM 65 O PRO A 5 8.258 3.311 -10.067 1.00 0.00 O ATOM 66 CB PRO A 5 11.003 4.152 -10.114 1.00 0.00 C ATOM 67 CG PRO A 5 11.480 5.131 -11.129 1.00 0.00 C ATOM 68 CD PRO A 5 10.612 4.921 -12.334 1.00 0.00 C ATOM 0 HA PRO A 5 11.150 2.102 -10.874 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.217 4.579 -9.491 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.810 3.850 -9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.395 6.152 -10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.530 4.966 -11.369 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.694 5.505 -12.280 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.119 5.209 -13.255 1.00 0.00 H new ATOM 76 N CYS A 6 8.941 1.206 -10.447 1.00 0.00 N ATOM 77 CA CYS A 6 7.711 0.617 -10.049 1.00 0.00 C ATOM 78 C CYS A 6 7.741 0.362 -8.567 1.00 0.00 C ATOM 79 O CYS A 6 8.814 0.276 -7.964 1.00 0.00 O ATOM 80 CB CYS A 6 7.479 -0.676 -10.813 1.00 0.00 C ATOM 81 SG CYS A 6 7.602 -0.500 -12.614 1.00 0.00 S ATOM 0 H CYS A 6 9.646 0.536 -10.753 1.00 0.00 H new ATOM 0 HA CYS A 6 6.889 1.296 -10.276 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.205 -1.418 -10.480 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.491 -1.062 -10.562 1.00 0.00 H new ATOM 0 HG CYS A 6 8.648 0.214 -12.910 1.00 0.00 H new ATOM 87 N LEU A 7 6.584 0.244 -7.986 1.00 0.00 N ATOM 88 CA LEU A 7 6.454 0.082 -6.559 1.00 0.00 C ATOM 89 C LEU A 7 6.035 -1.349 -6.258 1.00 0.00 C ATOM 90 O LEU A 7 5.636 -1.688 -5.144 1.00 0.00 O ATOM 91 CB LEU A 7 5.413 1.089 -5.999 1.00 0.00 C ATOM 92 CG LEU A 7 5.667 2.609 -6.243 1.00 0.00 C ATOM 93 CD1 LEU A 7 7.065 3.011 -5.811 1.00 0.00 C ATOM 94 CD2 LEU A 7 5.395 3.026 -7.700 1.00 0.00 C ATOM 0 H LEU A 7 5.696 0.257 -8.487 1.00 0.00 H new ATOM 0 HA LEU A 7 7.411 0.283 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.442 0.839 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.339 0.930 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 7 4.952 3.148 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.210 4.076 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.191 2.805 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.800 2.441 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.587 4.093 -7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.050 2.465 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.355 2.815 -7.951 1.00 0.00 H new ATOM 106 N THR A 8 6.175 -2.176 -7.257 1.00 0.00 N ATOM 107 CA THR A 8 5.810 -3.559 -7.216 1.00 0.00 C ATOM 108 C THR A 8 6.609 -4.324 -6.155 1.00 0.00 C ATOM 109 O THR A 8 7.843 -4.377 -6.196 1.00 0.00 O ATOM 110 CB THR A 8 6.047 -4.150 -8.608 1.00 0.00 C ATOM 111 OG1 THR A 8 7.259 -3.582 -9.142 1.00 0.00 O ATOM 112 CG2 THR A 8 4.898 -3.825 -9.544 1.00 0.00 C ATOM 0 H THR A 8 6.562 -1.890 -8.156 1.00 0.00 H new ATOM 0 HA THR A 8 4.760 -3.651 -6.939 1.00 0.00 H new ATOM 0 HB THR A 8 6.125 -5.234 -8.523 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.428 -3.951 -10.034 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.094 -4.258 -10.525 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.973 -4.240 -9.143 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.800 -2.743 -9.638 1.00 0.00 H new ATOM 120 N GLY A 9 5.908 -4.847 -5.174 1.00 0.00 N ATOM 121 CA GLY A 9 6.557 -5.603 -4.137 1.00 0.00 C ATOM 122 C GLY A 9 7.024 -4.738 -2.984 1.00 0.00 C ATOM 123 O GLY A 9 7.612 -5.241 -2.021 1.00 0.00 O ATOM 0 H GLY A 9 4.896 -4.762 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.869 -6.361 -3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.412 -6.130 -4.559 1.00 0.00 H new ATOM 127 N THR A 10 6.784 -3.450 -3.070 1.00 0.00 N ATOM 128 CA THR A 10 7.147 -2.560 -2.004 1.00 0.00 C ATOM 129 C THR A 10 6.118 -2.671 -0.884 1.00 0.00 C ATOM 130 O THR A 10 4.902 -2.666 -1.137 1.00 0.00 O ATOM 131 CB THR A 10 7.244 -1.105 -2.499 1.00 0.00 C ATOM 132 OG1 THR A 10 8.202 -1.032 -3.569 1.00 0.00 O ATOM 133 CG2 THR A 10 7.673 -0.154 -1.384 1.00 0.00 C ATOM 0 H THR A 10 6.339 -3.000 -3.870 1.00 0.00 H new ATOM 0 HA THR A 10 8.130 -2.846 -1.629 1.00 0.00 H new ATOM 0 HB THR A 10 6.255 -0.802 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.266 -0.108 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.729 0.862 -1.774 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.945 -0.192 -0.574 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.651 -0.453 -1.007 1.00 0.00 H new ATOM 141 N LYS A 11 6.605 -2.816 0.322 1.00 0.00 N ATOM 142 CA LYS A 11 5.761 -2.925 1.483 1.00 0.00 C ATOM 143 C LYS A 11 5.445 -1.520 1.961 1.00 0.00 C ATOM 144 O LYS A 11 6.348 -0.698 2.112 1.00 0.00 O ATOM 145 CB LYS A 11 6.464 -3.690 2.615 1.00 0.00 C ATOM 146 CG LYS A 11 7.037 -5.060 2.246 1.00 0.00 C ATOM 147 CD LYS A 11 5.973 -6.108 1.889 1.00 0.00 C ATOM 148 CE LYS A 11 5.106 -6.581 3.087 1.00 0.00 C ATOM 149 NZ LYS A 11 4.184 -5.546 3.631 1.00 0.00 N ATOM 0 H LYS A 11 7.603 -2.862 0.526 1.00 0.00 H new ATOM 0 HA LYS A 11 4.856 -3.471 1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.275 -3.070 2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.754 -3.823 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.715 -4.943 1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.631 -5.431 3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.317 -5.694 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.468 -6.975 1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.518 -7.444 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.766 -6.917 3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.284 -5.991 3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.615 -5.101 4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.008 -4.822 2.906 1.00 0.00 H new ATOM 163 N VAL A 12 4.197 -1.248 2.178 1.00 0.00 N ATOM 164 CA VAL A 12 3.750 0.064 2.598 1.00 0.00 C ATOM 165 C VAL A 12 2.747 -0.089 3.714 1.00 0.00 C ATOM 166 O VAL A 12 2.382 -1.211 4.071 1.00 0.00 O ATOM 167 CB VAL A 12 3.075 0.846 1.429 1.00 0.00 C ATOM 168 CG1 VAL A 12 4.062 1.115 0.312 1.00 0.00 C ATOM 169 CG2 VAL A 12 1.860 0.085 0.891 1.00 0.00 C ATOM 0 H VAL A 12 3.445 -1.929 2.071 1.00 0.00 H new ATOM 0 HA VAL A 12 4.624 0.625 2.930 1.00 0.00 H new ATOM 0 HB VAL A 12 2.736 1.803 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.565 1.661 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.892 1.709 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.441 0.169 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.407 0.651 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.176 -0.891 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.131 -0.048 1.690 1.00 0.00 H new ATOM 179 N LYS A 13 2.310 0.996 4.260 1.00 0.00 N ATOM 180 CA LYS A 13 1.281 0.964 5.245 1.00 0.00 C ATOM 181 C LYS A 13 0.139 1.780 4.723 1.00 0.00 C ATOM 182 O LYS A 13 0.351 2.732 3.985 1.00 0.00 O ATOM 183 CB LYS A 13 1.790 1.431 6.614 1.00 0.00 C ATOM 184 CG LYS A 13 0.734 1.453 7.720 1.00 0.00 C ATOM 185 CD LYS A 13 1.369 1.494 9.104 1.00 0.00 C ATOM 186 CE LYS A 13 2.462 2.538 9.192 1.00 0.00 C ATOM 187 NZ LYS A 13 3.073 2.592 10.528 1.00 0.00 N ATOM 0 H LYS A 13 2.655 1.929 4.037 1.00 0.00 H new ATOM 0 HA LYS A 13 0.940 -0.057 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.606 0.778 6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.206 2.433 6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.089 2.322 7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.101 0.570 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.602 1.707 9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.782 0.514 9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.231 2.319 8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.049 3.516 8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.815 3.320 10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.345 2.826 11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.491 1.667 10.756 1.00 0.00 H new ATOM 201 N VAL A 14 -1.043 1.401 5.044 1.00 0.00 N ATOM 202 CA VAL A 14 -2.194 2.016 4.496 1.00 0.00 C ATOM 203 C VAL A 14 -3.144 2.401 5.610 1.00 0.00 C ATOM 204 O VAL A 14 -3.383 1.624 6.539 1.00 0.00 O ATOM 205 CB VAL A 14 -2.904 1.062 3.479 1.00 0.00 C ATOM 206 CG1 VAL A 14 -4.172 1.679 2.947 1.00 0.00 C ATOM 207 CG2 VAL A 14 -1.983 0.707 2.309 1.00 0.00 C ATOM 0 H VAL A 14 -1.241 0.647 5.702 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.889 2.914 3.958 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.152 0.149 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.643 0.993 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.855 1.876 3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.936 2.614 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.507 0.043 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.694 1.618 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.091 0.207 2.687 1.00 0.00 H new ATOM 217 N LYS A 15 -3.611 3.606 5.538 1.00 0.00 N ATOM 218 CA LYS A 15 -4.600 4.134 6.423 1.00 0.00 C ATOM 219 C LYS A 15 -5.731 4.489 5.501 1.00 0.00 C ATOM 220 O LYS A 15 -5.636 5.475 4.804 1.00 0.00 O ATOM 221 CB LYS A 15 -4.014 5.404 7.065 1.00 0.00 C ATOM 222 CG LYS A 15 -4.862 6.100 8.120 1.00 0.00 C ATOM 223 CD LYS A 15 -4.115 7.315 8.669 1.00 0.00 C ATOM 224 CE LYS A 15 -4.877 8.016 9.784 1.00 0.00 C ATOM 225 NZ LYS A 15 -4.171 9.230 10.264 1.00 0.00 N ATOM 0 H LYS A 15 -3.302 4.276 4.834 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.912 3.459 7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.057 5.144 7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.807 6.121 6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.813 6.412 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.092 5.407 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.141 7.000 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.933 8.021 7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.869 8.291 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.018 7.326 10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.725 9.676 11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.234 8.965 10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.059 9.901 9.477 1.00 0.00 H new ATOM 239 N TYR A 16 -6.771 3.689 5.458 1.00 0.00 N ATOM 240 CA TYR A 16 -7.790 3.872 4.429 1.00 0.00 C ATOM 241 C TYR A 16 -9.180 3.458 4.879 1.00 0.00 C ATOM 242 O TYR A 16 -9.380 2.366 5.432 1.00 0.00 O ATOM 243 CB TYR A 16 -7.356 3.095 3.168 1.00 0.00 C ATOM 244 CG TYR A 16 -8.362 3.001 2.032 1.00 0.00 C ATOM 245 CD1 TYR A 16 -8.728 4.112 1.281 1.00 0.00 C ATOM 246 CD2 TYR A 16 -8.923 1.781 1.704 1.00 0.00 C ATOM 247 CE1 TYR A 16 -9.634 3.996 0.238 1.00 0.00 C ATOM 248 CE2 TYR A 16 -9.816 1.659 0.669 1.00 0.00 C ATOM 249 CZ TYR A 16 -10.171 2.760 -0.060 1.00 0.00 C ATOM 250 OH TYR A 16 -11.072 2.627 -1.096 1.00 0.00 O ATOM 0 H TYR A 16 -6.940 2.919 6.105 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.866 4.937 4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.450 3.560 2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.091 2.082 3.470 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.302 5.077 1.513 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.653 0.905 2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.917 4.866 -0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.238 0.694 0.430 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.350 1.690 -1.170 1.00 0.00 H new ATOM 260 N GLY A 17 -10.101 4.383 4.750 1.00 0.00 N ATOM 261 CA GLY A 17 -11.484 4.112 4.961 1.00 0.00 C ATOM 262 C GLY A 17 -12.293 5.349 4.789 1.00 0.00 C ATOM 263 O GLY A 17 -11.741 6.442 4.687 1.00 0.00 O ATOM 0 H GLY A 17 -9.900 5.349 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.822 3.350 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.633 3.710 5.963 1.00 0.00 H new ATOM 267 N ARG A 18 -13.565 5.194 4.759 1.00 0.00 N ATOM 268 CA ARG A 18 -14.453 6.309 4.688 1.00 0.00 C ATOM 269 C ARG A 18 -14.887 6.727 6.079 1.00 0.00 C ATOM 270 O ARG A 18 -15.557 5.971 6.791 1.00 0.00 O ATOM 271 CB ARG A 18 -15.641 6.000 3.776 1.00 0.00 C ATOM 272 CG ARG A 18 -16.408 4.719 4.112 1.00 0.00 C ATOM 273 CD ARG A 18 -17.429 4.423 3.037 1.00 0.00 C ATOM 274 NE ARG A 18 -16.782 4.252 1.732 1.00 0.00 N ATOM 275 CZ ARG A 18 -16.934 5.069 0.682 1.00 0.00 C ATOM 276 NH1 ARG A 18 -17.739 6.134 0.759 1.00 0.00 N ATOM 277 NH2 ARG A 18 -16.272 4.826 -0.435 1.00 0.00 N ATOM 0 H ARG A 18 -14.029 4.286 4.783 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.926 7.154 4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.335 6.840 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.281 5.930 2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.713 3.884 4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.905 4.827 5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.982 3.520 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -18.153 5.236 2.984 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.167 3.447 1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.244 6.330 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.848 6.750 -0.046 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.650 4.020 -0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.383 5.444 -1.239 1.00 0.00 H new ATOM 291 N GLY A 19 -14.430 7.891 6.485 1.00 0.00 N ATOM 292 CA GLY A 19 -14.776 8.447 7.771 1.00 0.00 C ATOM 293 C GLY A 19 -14.251 7.638 8.937 1.00 0.00 C ATOM 294 O GLY A 19 -13.058 7.689 9.267 1.00 0.00 O ATOM 0 H GLY A 19 -13.807 8.478 5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.384 9.462 7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.861 8.519 7.847 1.00 0.00 H new ATOM 298 N LYS A 20 -15.127 6.881 9.540 1.00 0.00 N ATOM 299 CA LYS A 20 -14.794 6.099 10.697 1.00 0.00 C ATOM 300 C LYS A 20 -14.397 4.687 10.289 1.00 0.00 C ATOM 301 O LYS A 20 -13.672 3.992 11.012 1.00 0.00 O ATOM 302 CB LYS A 20 -15.977 6.081 11.665 1.00 0.00 C ATOM 303 CG LYS A 20 -15.713 5.316 12.935 1.00 0.00 C ATOM 304 CD LYS A 20 -16.863 5.417 13.898 1.00 0.00 C ATOM 305 CE LYS A 20 -16.554 4.657 15.166 1.00 0.00 C ATOM 306 NZ LYS A 20 -15.310 5.138 15.804 1.00 0.00 N ATOM 0 H LYS A 20 -16.097 6.790 9.240 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.940 6.551 11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.242 7.107 11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.839 5.644 11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.530 4.268 12.697 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.808 5.698 13.408 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.059 6.463 14.132 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.767 5.018 13.438 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.385 4.761 15.864 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.459 3.595 14.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.294 4.841 16.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.488 4.736 15.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.272 6.176 15.752 1.00 0.00 H new ATOM 320 N THR A 21 -14.797 4.301 9.100 1.00 0.00 N ATOM 321 CA THR A 21 -14.554 2.970 8.552 1.00 0.00 C ATOM 322 C THR A 21 -13.078 2.867 8.014 1.00 0.00 C ATOM 323 O THR A 21 -12.775 2.143 7.049 1.00 0.00 O ATOM 324 CB THR A 21 -15.577 2.755 7.404 1.00 0.00 C ATOM 325 OG1 THR A 21 -16.867 3.227 7.850 1.00 0.00 O ATOM 326 CG2 THR A 21 -15.710 1.281 7.035 1.00 0.00 C ATOM 0 H THR A 21 -15.313 4.911 8.466 1.00 0.00 H new ATOM 0 HA THR A 21 -14.676 2.203 9.317 1.00 0.00 H new ATOM 0 HB THR A 21 -15.227 3.300 6.527 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.526 3.101 7.136 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.435 1.172 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.743 0.899 6.708 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.048 0.717 7.905 1.00 0.00 H new ATOM 334 N GLN A 22 -12.173 3.545 8.690 1.00 0.00 N ATOM 335 CA GLN A 22 -10.789 3.611 8.312 1.00 0.00 C ATOM 336 C GLN A 22 -9.946 2.725 9.188 1.00 0.00 C ATOM 337 O GLN A 22 -10.035 2.762 10.423 1.00 0.00 O ATOM 338 CB GLN A 22 -10.308 5.061 8.311 1.00 0.00 C ATOM 339 CG GLN A 22 -8.851 5.241 7.942 1.00 0.00 C ATOM 340 CD GLN A 22 -8.486 6.685 7.771 1.00 0.00 C ATOM 341 OE1 GLN A 22 -8.556 7.231 6.675 1.00 0.00 O ATOM 342 NE2 GLN A 22 -8.129 7.323 8.838 1.00 0.00 N ATOM 0 H GLN A 22 -12.391 4.074 9.534 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.683 3.233 7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.919 5.632 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.474 5.486 9.301 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.224 4.798 8.716 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.643 4.703 7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.082 6.835 9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.894 8.314 8.785 1.00 0.00 H new ATOM 351 N LYS A 23 -9.174 1.897 8.546 1.00 0.00 N ATOM 352 CA LYS A 23 -8.313 0.973 9.215 1.00 0.00 C ATOM 353 C LYS A 23 -6.894 1.254 8.811 1.00 0.00 C ATOM 354 O LYS A 23 -6.648 1.735 7.696 1.00 0.00 O ATOM 355 CB LYS A 23 -8.635 -0.493 8.842 1.00 0.00 C ATOM 356 CG LYS A 23 -10.018 -1.023 9.236 1.00 0.00 C ATOM 357 CD LYS A 23 -11.160 -0.487 8.375 1.00 0.00 C ATOM 358 CE LYS A 23 -11.038 -0.920 6.914 1.00 0.00 C ATOM 359 NZ LYS A 23 -12.205 -0.490 6.118 1.00 0.00 N ATOM 0 H LYS A 23 -9.126 1.846 7.528 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.460 1.098 10.288 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.526 -0.600 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.883 -1.133 9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.010 -2.111 9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.211 -0.765 10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.111 -0.837 8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.173 0.602 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.129 -0.499 6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.942 -2.005 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.960 -0.505 5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.001 -1.137 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.477 0.475 6.394 1.00 0.00 H new ATOM 373 N ILE A 24 -5.981 1.006 9.705 1.00 0.00 N ATOM 374 CA ILE A 24 -4.587 1.094 9.397 1.00 0.00 C ATOM 375 C ILE A 24 -4.050 -0.314 9.350 1.00 0.00 C ATOM 376 O ILE A 24 -4.227 -1.099 10.298 1.00 0.00 O ATOM 377 CB ILE A 24 -3.816 1.895 10.454 1.00 0.00 C ATOM 378 CG1 ILE A 24 -4.469 3.264 10.639 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.355 2.059 10.003 1.00 0.00 C ATOM 380 CD1 ILE A 24 -3.993 4.002 11.858 1.00 0.00 C ATOM 0 H ILE A 24 -6.184 0.737 10.668 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.461 1.610 8.445 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.838 1.364 11.406 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.271 3.873 9.757 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.550 3.135 10.702 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.805 2.628 10.752 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.898 1.076 9.885 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.325 2.589 9.051 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.501 4.964 11.922 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.215 3.414 12.749 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.917 4.163 11.789 1.00 0.00 H new ATOM 392 N TYR A 25 -3.469 -0.640 8.257 1.00 0.00 N ATOM 393 CA TYR A 25 -2.947 -1.948 7.979 1.00 0.00 C ATOM 394 C TYR A 25 -1.756 -1.843 7.057 1.00 0.00 C ATOM 395 O TYR A 25 -1.522 -0.791 6.486 1.00 0.00 O ATOM 396 CB TYR A 25 -4.045 -2.906 7.423 1.00 0.00 C ATOM 397 CG TYR A 25 -5.194 -2.283 6.601 1.00 0.00 C ATOM 398 CD1 TYR A 25 -5.016 -1.190 5.753 1.00 0.00 C ATOM 399 CD2 TYR A 25 -6.469 -2.814 6.699 1.00 0.00 C ATOM 400 CE1 TYR A 25 -6.077 -0.661 5.036 1.00 0.00 C ATOM 401 CE2 TYR A 25 -7.525 -2.296 5.984 1.00 0.00 C ATOM 402 CZ TYR A 25 -7.328 -1.222 5.156 1.00 0.00 C ATOM 403 OH TYR A 25 -8.388 -0.722 4.424 1.00 0.00 O ATOM 0 H TYR A 25 -3.332 0.018 7.490 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.609 -2.392 8.916 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.554 -3.653 6.799 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.486 -3.436 8.267 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.035 -0.749 5.654 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.639 -3.656 7.353 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.923 0.188 4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.507 -2.735 6.075 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.271 -0.954 3.479 1.00 0.00 H new ATOM 413 N GLU A 26 -0.990 -2.890 6.929 1.00 0.00 N ATOM 414 CA GLU A 26 0.184 -2.854 6.083 1.00 0.00 C ATOM 415 C GLU A 26 -0.021 -3.666 4.826 1.00 0.00 C ATOM 416 O GLU A 26 -0.517 -4.789 4.876 1.00 0.00 O ATOM 417 CB GLU A 26 1.426 -3.322 6.820 1.00 0.00 C ATOM 418 CG GLU A 26 1.953 -2.352 7.870 1.00 0.00 C ATOM 419 CD GLU A 26 3.239 -2.847 8.469 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.249 -2.937 7.736 1.00 0.00 O ATOM 421 OE2 GLU A 26 3.275 -3.152 9.682 1.00 0.00 O ATOM 0 H GLU A 26 -1.152 -3.782 7.397 1.00 0.00 H new ATOM 0 HA GLU A 26 0.338 -1.813 5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.207 -4.274 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.214 -3.509 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.112 -1.373 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.209 -2.223 8.656 1.00 0.00 H new ATOM 428 N ALA A 27 0.406 -3.119 3.713 1.00 0.00 N ATOM 429 CA ALA A 27 0.167 -3.705 2.416 1.00 0.00 C ATOM 430 C ALA A 27 1.433 -3.779 1.590 1.00 0.00 C ATOM 431 O ALA A 27 2.525 -3.458 2.065 1.00 0.00 O ATOM 432 CB ALA A 27 -0.870 -2.899 1.669 1.00 0.00 C ATOM 0 H ALA A 27 0.934 -2.247 3.682 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.193 -4.721 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.045 -3.348 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.801 -2.890 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.513 -1.877 1.541 1.00 0.00 H new ATOM 438 N SER A 28 1.286 -4.267 0.388 1.00 0.00 N ATOM 439 CA SER A 28 2.344 -4.323 -0.582 1.00 0.00 C ATOM 440 C SER A 28 1.743 -3.931 -1.927 1.00 0.00 C ATOM 441 O SER A 28 0.607 -4.328 -2.228 1.00 0.00 O ATOM 442 CB SER A 28 2.879 -5.737 -0.641 1.00 0.00 C ATOM 443 OG SER A 28 3.090 -6.226 0.673 1.00 0.00 O ATOM 0 H SER A 28 0.403 -4.647 0.048 1.00 0.00 H new ATOM 0 HA SER A 28 3.162 -3.651 -0.323 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.175 -6.380 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.814 -5.759 -1.201 1.00 0.00 H new ATOM 0 HG SER A 28 2.980 -7.200 0.681 1.00 0.00 H new ATOM 449 N ILE A 29 2.460 -3.155 -2.705 1.00 0.00 N ATOM 450 CA ILE A 29 1.937 -2.650 -3.972 1.00 0.00 C ATOM 451 C ILE A 29 1.981 -3.722 -5.068 1.00 0.00 C ATOM 452 O ILE A 29 2.984 -4.443 -5.218 1.00 0.00 O ATOM 453 CB ILE A 29 2.721 -1.402 -4.464 1.00 0.00 C ATOM 454 CG1 ILE A 29 2.858 -0.340 -3.355 1.00 0.00 C ATOM 455 CG2 ILE A 29 2.065 -0.800 -5.709 1.00 0.00 C ATOM 456 CD1 ILE A 29 1.549 0.150 -2.781 1.00 0.00 C ATOM 0 H ILE A 29 3.411 -2.854 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 29 0.901 -2.369 -3.782 1.00 0.00 H new ATOM 0 HB ILE A 29 3.725 -1.734 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.460 -0.755 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.405 0.514 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.633 0.072 -6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.051 -1.542 -6.508 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.044 -0.501 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.746 0.894 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.950 0.599 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.006 -0.689 -2.346 1.00 0.00 H new ATOM 468 N LYS A 30 0.891 -3.822 -5.808 1.00 0.00 N ATOM 469 CA LYS A 30 0.756 -4.733 -6.924 1.00 0.00 C ATOM 470 C LYS A 30 0.897 -3.937 -8.228 1.00 0.00 C ATOM 471 O LYS A 30 1.785 -4.206 -9.033 1.00 0.00 O ATOM 472 CB LYS A 30 -0.627 -5.447 -6.843 1.00 0.00 C ATOM 473 CG LYS A 30 -0.858 -6.652 -7.791 1.00 0.00 C ATOM 474 CD LYS A 30 -0.980 -6.261 -9.258 1.00 0.00 C ATOM 475 CE LYS A 30 -1.222 -7.462 -10.160 1.00 0.00 C ATOM 476 NZ LYS A 30 -0.119 -8.445 -10.099 1.00 0.00 N ATOM 0 H LYS A 30 0.057 -3.258 -5.643 1.00 0.00 H new ATOM 0 HA LYS A 30 1.533 -5.497 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.770 -5.791 -5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.402 -4.707 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.033 -7.355 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.765 -7.174 -7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.799 -5.551 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.069 -5.752 -9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.154 -7.948 -9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.345 -7.122 -11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.236 -9.145 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.790 -7.954 -10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.135 -8.928 -9.178 1.00 0.00 H new ATOM 490 N SER A 31 0.037 -2.958 -8.417 1.00 0.00 N ATOM 491 CA SER A 31 0.026 -2.174 -9.632 1.00 0.00 C ATOM 492 C SER A 31 -0.433 -0.745 -9.348 1.00 0.00 C ATOM 493 O SER A 31 -0.711 -0.393 -8.179 1.00 0.00 O ATOM 494 CB SER A 31 -0.894 -2.849 -10.648 1.00 0.00 C ATOM 495 OG SER A 31 -2.158 -3.110 -10.067 1.00 0.00 O ATOM 0 H SER A 31 -0.671 -2.685 -7.735 1.00 0.00 H new ATOM 0 HA SER A 31 1.036 -2.119 -10.039 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.013 -2.209 -11.523 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.445 -3.780 -10.993 1.00 0.00 H new ATOM 0 HG SER A 31 -2.739 -3.541 -10.728 1.00 0.00 H new ATOM 501 N THR A 32 -0.511 0.064 -10.391 1.00 0.00 N ATOM 502 CA THR A 32 -0.897 1.446 -10.271 1.00 0.00 C ATOM 503 C THR A 32 -1.850 1.794 -11.422 1.00 0.00 C ATOM 504 O THR A 32 -1.703 1.255 -12.516 1.00 0.00 O ATOM 505 CB THR A 32 0.347 2.346 -10.427 1.00 0.00 C ATOM 506 OG1 THR A 32 1.564 1.590 -10.178 1.00 0.00 O ATOM 507 CG2 THR A 32 0.294 3.481 -9.450 1.00 0.00 C ATOM 0 H THR A 32 -0.306 -0.228 -11.347 1.00 0.00 H new ATOM 0 HA THR A 32 -1.368 1.602 -9.300 1.00 0.00 H new ATOM 0 HB THR A 32 0.352 2.728 -11.448 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.341 2.177 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.178 4.107 -9.572 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.601 4.076 -9.632 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.266 3.086 -8.434 1.00 0.00 H new ATOM 515 N GLU A 33 -2.815 2.646 -11.188 1.00 0.00 N ATOM 516 CA GLU A 33 -3.658 3.129 -12.263 1.00 0.00 C ATOM 517 C GLU A 33 -3.846 4.612 -12.101 1.00 0.00 C ATOM 518 O GLU A 33 -3.721 5.132 -11.004 1.00 0.00 O ATOM 519 CB GLU A 33 -5.041 2.449 -12.328 1.00 0.00 C ATOM 520 CG GLU A 33 -6.017 2.813 -11.207 1.00 0.00 C ATOM 521 CD GLU A 33 -7.422 2.304 -11.480 1.00 0.00 C ATOM 522 OE1 GLU A 33 -8.008 2.675 -12.521 1.00 0.00 O ATOM 523 OE2 GLU A 33 -7.964 1.506 -10.687 1.00 0.00 O ATOM 0 H GLU A 33 -3.040 3.022 -10.267 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.150 2.884 -13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.504 2.700 -13.282 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.894 1.369 -12.320 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.658 2.396 -10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.042 3.896 -11.087 1.00 0.00 H new ATOM 530 N ILE A 34 -4.102 5.290 -13.168 1.00 0.00 N ATOM 531 CA ILE A 34 -4.396 6.690 -13.110 1.00 0.00 C ATOM 532 C ILE A 34 -5.807 6.842 -13.606 1.00 0.00 C ATOM 533 O ILE A 34 -6.122 6.470 -14.742 1.00 0.00 O ATOM 534 CB ILE A 34 -3.435 7.599 -13.960 1.00 0.00 C ATOM 535 CG1 ILE A 34 -1.970 7.596 -13.450 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.950 9.041 -13.993 1.00 0.00 C ATOM 537 CD1 ILE A 34 -1.252 6.269 -13.504 1.00 0.00 C ATOM 0 H ILE A 34 -4.115 4.893 -14.108 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.258 7.027 -12.083 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.431 7.172 -14.963 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.401 8.318 -14.036 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.965 7.947 -12.418 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.273 9.656 -14.586 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.944 9.062 -14.440 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.000 9.433 -12.977 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.238 6.388 -13.123 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.786 5.541 -12.893 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.213 5.918 -14.535 1.00 0.00 H new ATOM 549 N ASP A 35 -6.637 7.345 -12.774 1.00 0.00 N ATOM 550 CA ASP A 35 -8.044 7.448 -13.063 1.00 0.00 C ATOM 551 C ASP A 35 -8.573 8.810 -12.673 1.00 0.00 C ATOM 552 O ASP A 35 -8.455 9.214 -11.512 1.00 0.00 O ATOM 553 CB ASP A 35 -8.802 6.362 -12.301 1.00 0.00 C ATOM 554 CG ASP A 35 -10.271 6.350 -12.619 1.00 0.00 C ATOM 555 OD1 ASP A 35 -10.651 5.818 -13.686 1.00 0.00 O ATOM 556 OD2 ASP A 35 -11.071 6.848 -11.800 1.00 0.00 O ATOM 0 H ASP A 35 -6.371 7.706 -11.858 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.191 7.315 -14.135 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.374 5.389 -12.542 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.667 6.514 -11.230 1.00 0.00 H new ATOM 561 N ASP A 36 -9.100 9.542 -13.660 1.00 0.00 N ATOM 562 CA ASP A 36 -9.733 10.879 -13.461 1.00 0.00 C ATOM 563 C ASP A 36 -8.693 11.905 -12.969 1.00 0.00 C ATOM 564 O ASP A 36 -9.013 12.948 -12.420 1.00 0.00 O ATOM 565 CB ASP A 36 -10.938 10.754 -12.484 1.00 0.00 C ATOM 566 CG ASP A 36 -11.718 12.039 -12.222 1.00 0.00 C ATOM 567 OD1 ASP A 36 -12.426 12.529 -13.129 1.00 0.00 O ATOM 568 OD2 ASP A 36 -11.691 12.543 -11.083 1.00 0.00 O ATOM 0 H ASP A 36 -9.106 9.234 -14.632 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.114 11.243 -14.415 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.627 10.008 -12.880 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.570 10.374 -11.531 1.00 0.00 H new ATOM 573 N GLY A 37 -7.450 11.627 -13.248 1.00 0.00 N ATOM 574 CA GLY A 37 -6.397 12.520 -12.861 1.00 0.00 C ATOM 575 C GLY A 37 -5.726 12.134 -11.559 1.00 0.00 C ATOM 576 O GLY A 37 -4.712 12.730 -11.187 1.00 0.00 O ATOM 0 H GLY A 37 -7.143 10.789 -13.742 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.648 12.550 -13.652 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.802 13.528 -12.767 1.00 0.00 H new ATOM 580 N GLU A 38 -6.272 11.171 -10.851 1.00 0.00 N ATOM 581 CA GLU A 38 -5.649 10.726 -9.627 1.00 0.00 C ATOM 582 C GLU A 38 -5.065 9.350 -9.801 1.00 0.00 C ATOM 583 O GLU A 38 -5.610 8.523 -10.523 1.00 0.00 O ATOM 584 CB GLU A 38 -6.578 10.824 -8.393 1.00 0.00 C ATOM 585 CG GLU A 38 -7.912 10.091 -8.487 1.00 0.00 C ATOM 586 CD GLU A 38 -8.673 10.109 -7.169 1.00 0.00 C ATOM 587 OE1 GLU A 38 -9.072 11.192 -6.698 1.00 0.00 O ATOM 588 OE2 GLU A 38 -8.839 9.052 -6.550 1.00 0.00 O ATOM 0 H GLU A 38 -7.135 10.687 -11.098 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.831 11.415 -9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.038 10.440 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.780 11.878 -8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.523 10.551 -9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.737 9.058 -8.789 1.00 0.00 H new ATOM 595 N VAL A 39 -3.955 9.120 -9.178 1.00 0.00 N ATOM 596 CA VAL A 39 -3.272 7.869 -9.293 1.00 0.00 C ATOM 597 C VAL A 39 -3.588 6.969 -8.096 1.00 0.00 C ATOM 598 O VAL A 39 -3.413 7.339 -6.916 1.00 0.00 O ATOM 599 CB VAL A 39 -1.739 8.067 -9.494 1.00 0.00 C ATOM 600 CG1 VAL A 39 -1.101 8.824 -8.340 1.00 0.00 C ATOM 601 CG2 VAL A 39 -1.050 6.735 -9.749 1.00 0.00 C ATOM 0 H VAL A 39 -3.493 9.797 -8.571 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.637 7.364 -10.187 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.603 8.688 -10.380 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.033 8.937 -8.525 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.560 9.809 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.252 8.270 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.019 6.899 -9.886 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.209 6.074 -8.897 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.465 6.277 -10.647 1.00 0.00 H new ATOM 611 N LEU A 40 -4.087 5.824 -8.409 1.00 0.00 N ATOM 612 CA LEU A 40 -4.506 4.857 -7.456 1.00 0.00 C ATOM 613 C LEU A 40 -3.547 3.711 -7.471 1.00 0.00 C ATOM 614 O LEU A 40 -3.000 3.359 -8.520 1.00 0.00 O ATOM 615 CB LEU A 40 -5.879 4.337 -7.838 1.00 0.00 C ATOM 616 CG LEU A 40 -6.969 5.375 -8.011 1.00 0.00 C ATOM 617 CD1 LEU A 40 -8.231 4.709 -8.513 1.00 0.00 C ATOM 618 CD2 LEU A 40 -7.217 6.101 -6.702 1.00 0.00 C ATOM 0 H LEU A 40 -4.219 5.524 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.540 5.312 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.786 3.781 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.200 3.628 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.651 6.113 -8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.013 5.458 -8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.033 4.230 -9.472 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.558 3.959 -7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.002 6.844 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.526 5.384 -5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.301 6.597 -6.382 1.00 0.00 H new ATOM 630 N TYR A 41 -3.333 3.147 -6.343 1.00 0.00 N ATOM 631 CA TYR A 41 -2.489 2.009 -6.217 1.00 0.00 C ATOM 632 C TYR A 41 -3.291 0.833 -5.826 1.00 0.00 C ATOM 633 O TYR A 41 -4.333 0.965 -5.178 1.00 0.00 O ATOM 634 CB TYR A 41 -1.389 2.234 -5.189 1.00 0.00 C ATOM 635 CG TYR A 41 -0.288 3.130 -5.658 1.00 0.00 C ATOM 636 CD1 TYR A 41 -0.476 4.488 -5.792 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.942 2.605 -5.980 1.00 0.00 C ATOM 638 CE1 TYR A 41 0.545 5.301 -6.236 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.963 3.404 -6.422 1.00 0.00 C ATOM 640 CZ TYR A 41 1.763 4.753 -6.548 1.00 0.00 C ATOM 641 OH TYR A 41 2.780 5.558 -7.001 1.00 0.00 O ATOM 0 H TYR A 41 -3.743 3.464 -5.464 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.018 1.837 -7.185 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.830 2.660 -4.288 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.964 1.270 -4.911 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.434 4.921 -5.546 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.106 1.542 -5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.387 6.364 -6.338 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.921 2.972 -6.670 1.00 0.00 H new ATOM 0 HH TYR A 41 3.576 5.013 -7.175 1.00 0.00 H new ATOM 651 N LEU A 42 -2.822 -0.295 -6.212 1.00 0.00 N ATOM 652 CA LEU A 42 -3.424 -1.515 -5.845 1.00 0.00 C ATOM 653 C LEU A 42 -2.525 -2.162 -4.848 1.00 0.00 C ATOM 654 O LEU A 42 -1.362 -2.471 -5.143 1.00 0.00 O ATOM 655 CB LEU A 42 -3.612 -2.407 -7.056 1.00 0.00 C ATOM 656 CG LEU A 42 -4.176 -3.790 -6.778 1.00 0.00 C ATOM 657 CD1 LEU A 42 -5.487 -3.696 -6.023 1.00 0.00 C ATOM 658 CD2 LEU A 42 -4.371 -4.526 -8.074 1.00 0.00 C ATOM 0 H LEU A 42 -1.996 -0.395 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.413 -1.344 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.274 -1.900 -7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.648 -2.521 -7.552 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.468 -4.338 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.872 -4.699 -5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.324 -3.186 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.209 -3.136 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.776 -5.518 -7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.066 -3.973 -8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.413 -4.622 -8.585 1.00 0.00 H new ATOM 670 N VAL A 43 -3.027 -2.320 -3.675 1.00 0.00 N ATOM 671 CA VAL A 43 -2.267 -2.809 -2.590 1.00 0.00 C ATOM 672 C VAL A 43 -2.880 -4.116 -2.081 1.00 0.00 C ATOM 673 O VAL A 43 -4.096 -4.287 -2.081 1.00 0.00 O ATOM 674 CB VAL A 43 -2.209 -1.738 -1.428 1.00 0.00 C ATOM 675 CG1 VAL A 43 -1.803 -0.371 -1.954 1.00 0.00 C ATOM 676 CG2 VAL A 43 -3.530 -1.626 -0.673 1.00 0.00 C ATOM 0 H VAL A 43 -3.997 -2.108 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.248 -3.001 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.451 -2.091 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.773 0.342 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.817 -0.436 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.528 -0.037 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.437 -0.878 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.320 -1.330 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.778 -2.590 -0.229 1.00 0.00 H new ATOM 686 N HIS A 44 -2.051 -5.049 -1.722 1.00 0.00 N ATOM 687 CA HIS A 44 -2.530 -6.260 -1.095 1.00 0.00 C ATOM 688 C HIS A 44 -1.766 -6.559 0.149 1.00 0.00 C ATOM 689 O HIS A 44 -0.537 -6.399 0.200 1.00 0.00 O ATOM 690 CB HIS A 44 -2.679 -7.485 -2.030 1.00 0.00 C ATOM 691 CG HIS A 44 -1.496 -7.851 -2.847 1.00 0.00 C ATOM 692 ND1 HIS A 44 -1.529 -7.827 -4.205 1.00 0.00 N ATOM 693 CD2 HIS A 44 -0.274 -8.311 -2.505 1.00 0.00 C ATOM 694 CE1 HIS A 44 -0.381 -8.258 -4.679 1.00 0.00 C ATOM 695 NE2 HIS A 44 0.399 -8.556 -3.665 1.00 0.00 N ATOM 0 H HIS A 44 -1.040 -5.003 -1.849 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.562 -6.048 -0.815 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.950 -8.347 -1.420 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.513 -7.297 -2.706 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.322 -7.522 -4.769 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.100 -8.457 -1.502 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.123 -8.351 -5.724 1.00 0.00 H new ATOM 704 N TYR A 45 -2.485 -6.969 1.130 1.00 0.00 N ATOM 705 CA TYR A 45 -1.990 -7.148 2.473 1.00 0.00 C ATOM 706 C TYR A 45 -1.602 -8.595 2.688 1.00 0.00 C ATOM 707 O TYR A 45 -2.344 -9.509 2.317 1.00 0.00 O ATOM 708 CB TYR A 45 -3.111 -6.759 3.462 1.00 0.00 C ATOM 709 CG TYR A 45 -3.781 -5.427 3.130 1.00 0.00 C ATOM 710 CD1 TYR A 45 -4.863 -5.366 2.251 1.00 0.00 C ATOM 711 CD2 TYR A 45 -3.320 -4.246 3.657 1.00 0.00 C ATOM 712 CE1 TYR A 45 -5.447 -4.165 1.909 1.00 0.00 C ATOM 713 CE2 TYR A 45 -3.903 -3.043 3.328 1.00 0.00 C ATOM 714 CZ TYR A 45 -4.962 -3.005 2.454 1.00 0.00 C ATOM 715 OH TYR A 45 -5.517 -1.794 2.112 1.00 0.00 O ATOM 0 H TYR A 45 -3.473 -7.202 1.030 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.113 -6.522 2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.866 -7.545 3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.695 -6.707 4.468 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.252 -6.281 1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.485 -4.261 4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.278 -4.139 1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.527 -2.127 3.758 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.464 -1.918 1.895 1.00 0.00 H new ATOM 725 N TYR A 46 -0.443 -8.801 3.254 1.00 0.00 N ATOM 726 CA TYR A 46 0.020 -10.124 3.566 1.00 0.00 C ATOM 727 C TYR A 46 -0.140 -10.409 5.041 1.00 0.00 C ATOM 728 O TYR A 46 0.748 -10.113 5.846 1.00 0.00 O ATOM 729 CB TYR A 46 1.479 -10.350 3.154 1.00 0.00 C ATOM 730 CG TYR A 46 1.732 -10.326 1.670 1.00 0.00 C ATOM 731 CD1 TYR A 46 1.308 -11.365 0.864 1.00 0.00 C ATOM 732 CD2 TYR A 46 2.418 -9.284 1.083 1.00 0.00 C ATOM 733 CE1 TYR A 46 1.563 -11.368 -0.489 1.00 0.00 C ATOM 734 CE2 TYR A 46 2.675 -9.275 -0.274 1.00 0.00 C ATOM 735 CZ TYR A 46 2.246 -10.320 -1.054 1.00 0.00 C ATOM 736 OH TYR A 46 2.507 -10.317 -2.411 1.00 0.00 O ATOM 0 H TYR A 46 0.205 -8.057 3.511 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.596 -10.813 2.989 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.096 -9.585 3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.807 -11.312 3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.767 -12.190 1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.760 -8.462 1.694 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.227 -12.191 -1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.211 -8.450 -0.719 1.00 0.00 H new ATOM 0 HH TYR A 46 1.856 -9.744 -2.868 1.00 0.00 H new ATOM 746 N GLY A 47 -1.289 -10.891 5.395 1.00 0.00 N ATOM 747 CA GLY A 47 -1.536 -11.314 6.743 1.00 0.00 C ATOM 748 C GLY A 47 -1.899 -12.763 6.725 1.00 0.00 C ATOM 749 O GLY A 47 -1.146 -13.619 7.199 1.00 0.00 O ATOM 0 H GLY A 47 -2.082 -11.004 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.651 -11.153 7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.342 -10.727 7.183 1.00 0.00 H new ATOM 753 N TRP A 48 -3.020 -13.041 6.134 1.00 0.00 N ATOM 754 CA TRP A 48 -3.481 -14.387 5.922 1.00 0.00 C ATOM 755 C TRP A 48 -4.135 -14.474 4.566 1.00 0.00 C ATOM 756 O TRP A 48 -3.722 -15.259 3.711 1.00 0.00 O ATOM 757 CB TRP A 48 -4.447 -14.848 7.030 1.00 0.00 C ATOM 758 CG TRP A 48 -5.085 -16.184 6.750 1.00 0.00 C ATOM 759 CD1 TRP A 48 -6.396 -16.415 6.446 1.00 0.00 C ATOM 760 CD2 TRP A 48 -4.437 -17.462 6.712 1.00 0.00 C ATOM 761 NE1 TRP A 48 -6.603 -17.753 6.234 1.00 0.00 N ATOM 762 CE2 TRP A 48 -5.418 -18.419 6.393 1.00 0.00 C ATOM 763 CE3 TRP A 48 -3.125 -17.887 6.922 1.00 0.00 C ATOM 764 CZ2 TRP A 48 -5.126 -19.774 6.278 1.00 0.00 C ATOM 765 CZ3 TRP A 48 -2.839 -19.230 6.807 1.00 0.00 C ATOM 766 CH2 TRP A 48 -3.833 -20.160 6.487 1.00 0.00 C ATOM 0 H TRP A 48 -3.656 -12.328 5.777 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.623 -15.058 5.960 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.905 -14.903 7.974 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.229 -14.099 7.155 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -7.159 -15.654 6.382 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.497 -18.183 5.996 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.349 -17.178 7.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.893 -20.494 6.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.827 -19.571 6.967 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.573 -21.205 6.403 1.00 0.00 H new ATOM 777 N ASN A 49 -5.143 -13.663 4.359 1.00 0.00 N ATOM 778 CA ASN A 49 -5.827 -13.655 3.096 1.00 0.00 C ATOM 779 C ASN A 49 -5.214 -12.610 2.187 1.00 0.00 C ATOM 780 O ASN A 49 -5.372 -11.403 2.400 1.00 0.00 O ATOM 781 CB ASN A 49 -7.329 -13.413 3.273 1.00 0.00 C ATOM 782 CG ASN A 49 -8.073 -13.443 1.953 1.00 0.00 C ATOM 783 OD1 ASN A 49 -7.680 -14.133 1.032 1.00 0.00 O ATOM 784 ND2 ASN A 49 -9.144 -12.711 1.853 1.00 0.00 N ATOM 0 H ASN A 49 -5.505 -13.003 5.048 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.711 -14.636 2.636 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.742 -14.172 3.938 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.486 -12.448 3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.679 -12.706 0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.449 -12.143 2.643 1.00 0.00 H new ATOM 791 N VAL A 50 -4.521 -13.074 1.180 1.00 0.00 N ATOM 792 CA VAL A 50 -3.823 -12.209 0.245 1.00 0.00 C ATOM 793 C VAL A 50 -4.824 -11.643 -0.783 1.00 0.00 C ATOM 794 O VAL A 50 -4.516 -10.722 -1.550 1.00 0.00 O ATOM 795 CB VAL A 50 -2.666 -12.988 -0.471 1.00 0.00 C ATOM 796 CG1 VAL A 50 -1.822 -12.075 -1.353 1.00 0.00 C ATOM 797 CG2 VAL A 50 -1.783 -13.697 0.554 1.00 0.00 C ATOM 0 H VAL A 50 -4.420 -14.069 0.978 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.375 -11.380 0.793 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.130 -13.732 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.033 -12.657 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.453 -11.624 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.376 -11.290 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.985 -14.232 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.348 -12.961 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.385 -14.404 1.125 1.00 0.00 H new ATOM 807 N ARG A 51 -6.048 -12.171 -0.755 1.00 0.00 N ATOM 808 CA ARG A 51 -7.103 -11.716 -1.653 1.00 0.00 C ATOM 809 C ARG A 51 -7.614 -10.318 -1.292 1.00 0.00 C ATOM 810 O ARG A 51 -8.493 -9.782 -1.976 1.00 0.00 O ATOM 811 CB ARG A 51 -8.271 -12.695 -1.728 1.00 0.00 C ATOM 812 CG ARG A 51 -7.913 -14.083 -2.231 1.00 0.00 C ATOM 813 CD ARG A 51 -9.168 -14.911 -2.429 1.00 0.00 C ATOM 814 NE ARG A 51 -10.024 -14.318 -3.468 1.00 0.00 N ATOM 815 CZ ARG A 51 -11.360 -14.305 -3.480 1.00 0.00 C ATOM 816 NH1 ARG A 51 -12.049 -14.909 -2.524 1.00 0.00 N ATOM 817 NH2 ARG A 51 -11.996 -13.688 -4.467 1.00 0.00 N ATOM 0 H ARG A 51 -6.331 -12.916 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.641 -11.666 -2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.713 -12.787 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.037 -12.275 -2.380 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.367 -14.007 -3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.252 -14.576 -1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.898 -15.929 -2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.719 -14.976 -1.491 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.552 -13.874 -4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.560 -15.390 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.069 -14.893 -2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.465 -13.229 -5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.016 -13.672 -4.485 1.00 0.00 H new ATOM 831 N TYR A 52 -7.106 -9.733 -0.209 1.00 0.00 N ATOM 832 CA TYR A 52 -7.417 -8.348 0.083 1.00 0.00 C ATOM 833 C TYR A 52 -6.553 -7.479 -0.790 1.00 0.00 C ATOM 834 O TYR A 52 -5.466 -7.052 -0.400 1.00 0.00 O ATOM 835 CB TYR A 52 -7.251 -7.977 1.558 1.00 0.00 C ATOM 836 CG TYR A 52 -8.255 -8.613 2.479 1.00 0.00 C ATOM 837 CD1 TYR A 52 -9.562 -8.143 2.540 1.00 0.00 C ATOM 838 CD2 TYR A 52 -7.904 -9.670 3.287 1.00 0.00 C ATOM 839 CE1 TYR A 52 -10.486 -8.720 3.389 1.00 0.00 C ATOM 840 CE2 TYR A 52 -8.814 -10.247 4.135 1.00 0.00 C ATOM 841 CZ TYR A 52 -10.102 -9.773 4.183 1.00 0.00 C ATOM 842 OH TYR A 52 -11.007 -10.359 5.040 1.00 0.00 O ATOM 0 H TYR A 52 -6.491 -10.190 0.464 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.474 -8.188 -0.132 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.250 -8.262 1.881 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.321 -6.894 1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -9.859 -7.314 1.914 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.894 -10.052 3.253 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -11.499 -8.347 3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.518 -11.073 4.764 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.571 -11.090 5.526 1.00 0.00 H new ATOM 852 N ASP A 53 -7.004 -7.337 -1.997 1.00 0.00 N ATOM 853 CA ASP A 53 -6.341 -6.599 -3.033 1.00 0.00 C ATOM 854 C ASP A 53 -7.202 -5.353 -3.260 1.00 0.00 C ATOM 855 O ASP A 53 -8.243 -5.392 -3.937 1.00 0.00 O ATOM 856 CB ASP A 53 -6.270 -7.532 -4.265 1.00 0.00 C ATOM 857 CG ASP A 53 -5.270 -7.162 -5.335 1.00 0.00 C ATOM 858 OD1 ASP A 53 -4.027 -7.239 -5.077 1.00 0.00 O ATOM 859 OD2 ASP A 53 -5.691 -6.933 -6.486 1.00 0.00 O ATOM 0 H ASP A 53 -7.885 -7.750 -2.304 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.324 -6.283 -2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.040 -8.539 -3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.259 -7.570 -4.721 1.00 0.00 H new ATOM 864 N GLU A 54 -6.805 -4.289 -2.607 1.00 0.00 N ATOM 865 CA GLU A 54 -7.607 -3.081 -2.441 1.00 0.00 C ATOM 866 C GLU A 54 -6.908 -1.872 -3.063 1.00 0.00 C ATOM 867 O GLU A 54 -5.692 -1.833 -3.162 1.00 0.00 O ATOM 868 CB GLU A 54 -7.848 -2.919 -0.916 1.00 0.00 C ATOM 869 CG GLU A 54 -8.688 -1.744 -0.455 1.00 0.00 C ATOM 870 CD GLU A 54 -9.040 -1.851 1.026 1.00 0.00 C ATOM 871 OE1 GLU A 54 -8.164 -1.661 1.897 1.00 0.00 O ATOM 872 OE2 GLU A 54 -10.216 -2.167 1.346 1.00 0.00 O ATOM 0 H GLU A 54 -5.890 -4.228 -2.160 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.563 -3.157 -2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.320 -3.832 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.876 -2.847 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.146 -0.816 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.604 -1.697 -1.045 1.00 0.00 H new ATOM 879 N TRP A 55 -7.687 -0.913 -3.499 1.00 0.00 N ATOM 880 CA TRP A 55 -7.169 0.254 -4.182 1.00 0.00 C ATOM 881 C TRP A 55 -7.177 1.457 -3.273 1.00 0.00 C ATOM 882 O TRP A 55 -8.214 1.775 -2.656 1.00 0.00 O ATOM 883 CB TRP A 55 -8.000 0.543 -5.424 1.00 0.00 C ATOM 884 CG TRP A 55 -7.983 -0.568 -6.421 1.00 0.00 C ATOM 885 CD1 TRP A 55 -8.741 -1.705 -6.397 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.163 -0.653 -7.590 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.453 -2.479 -7.489 1.00 0.00 N ATOM 888 CE2 TRP A 55 -7.487 -1.855 -8.238 1.00 0.00 C ATOM 889 CE3 TRP A 55 -6.189 0.178 -8.156 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -6.874 -2.251 -9.423 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -5.578 -0.221 -9.330 1.00 0.00 C ATOM 892 CH2 TRP A 55 -5.923 -1.421 -9.952 1.00 0.00 C ATOM 0 H TRP A 55 -8.701 -0.917 -3.392 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.139 0.048 -4.475 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.030 0.738 -5.126 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.628 1.452 -5.897 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.460 -1.956 -5.631 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.887 -3.375 -7.710 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.920 1.112 -7.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.139 -3.179 -9.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.820 0.408 -9.774 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.429 -1.701 -10.871 1.00 0.00 H new ATOM 903 N VAL A 56 -6.046 2.126 -3.187 1.00 0.00 N ATOM 904 CA VAL A 56 -5.883 3.294 -2.345 1.00 0.00 C ATOM 905 C VAL A 56 -5.067 4.322 -3.118 1.00 0.00 C ATOM 906 O VAL A 56 -4.143 3.954 -3.843 1.00 0.00 O ATOM 907 CB VAL A 56 -5.115 2.949 -1.029 1.00 0.00 C ATOM 908 CG1 VAL A 56 -5.078 4.139 -0.078 1.00 0.00 C ATOM 909 CG2 VAL A 56 -5.705 1.730 -0.336 1.00 0.00 C ATOM 0 H VAL A 56 -5.205 1.872 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.870 3.674 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.091 2.709 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.536 3.865 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.575 4.976 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.096 4.429 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.144 1.522 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.747 1.924 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.647 0.869 -1.002 1.00 0.00 H new ATOM 919 N LYS A 57 -5.420 5.583 -3.010 1.00 0.00 N ATOM 920 CA LYS A 57 -4.692 6.633 -3.669 1.00 0.00 C ATOM 921 C LYS A 57 -3.323 6.871 -3.008 1.00 0.00 C ATOM 922 O LYS A 57 -3.173 6.712 -1.800 1.00 0.00 O ATOM 923 CB LYS A 57 -5.550 7.886 -3.724 1.00 0.00 C ATOM 924 CG LYS A 57 -4.908 9.065 -4.409 1.00 0.00 C ATOM 925 CD LYS A 57 -5.956 10.034 -4.894 1.00 0.00 C ATOM 926 CE LYS A 57 -6.829 10.561 -3.778 1.00 0.00 C ATOM 927 NZ LYS A 57 -7.858 11.485 -4.289 1.00 0.00 N ATOM 0 H LYS A 57 -6.219 5.905 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.474 6.334 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.481 7.649 -4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.812 8.174 -2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.231 9.569 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.307 8.720 -5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.467 10.871 -5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.583 9.542 -5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.309 9.727 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.210 11.074 -3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.603 12.462 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.920 11.398 -5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.778 11.248 -3.866 1.00 0.00 H new ATOM 941 N ALA A 58 -2.372 7.322 -3.822 1.00 0.00 N ATOM 942 CA ALA A 58 -0.958 7.441 -3.493 1.00 0.00 C ATOM 943 C ALA A 58 -0.693 8.209 -2.222 1.00 0.00 C ATOM 944 O ALA A 58 0.008 7.739 -1.321 1.00 0.00 O ATOM 945 CB ALA A 58 -0.265 8.134 -4.629 1.00 0.00 C ATOM 0 H ALA A 58 -2.578 7.628 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.580 6.431 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.796 8.233 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.388 7.550 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.699 9.124 -4.771 1.00 0.00 H new ATOM 951 N ASP A 59 -1.303 9.358 -2.136 1.00 0.00 N ATOM 952 CA ASP A 59 -1.067 10.299 -1.022 1.00 0.00 C ATOM 953 C ASP A 59 -1.748 9.842 0.250 1.00 0.00 C ATOM 954 O ASP A 59 -1.526 10.395 1.333 1.00 0.00 O ATOM 955 CB ASP A 59 -1.566 11.705 -1.373 1.00 0.00 C ATOM 956 CG ASP A 59 -3.084 11.808 -1.500 1.00 0.00 C ATOM 957 OD1 ASP A 59 -3.611 11.584 -2.606 1.00 0.00 O ATOM 958 OD2 ASP A 59 -3.761 12.155 -0.509 1.00 0.00 O ATOM 0 H ASP A 59 -1.980 9.689 -2.823 1.00 0.00 H new ATOM 0 HA ASP A 59 0.010 10.324 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.227 12.402 -0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.110 12.018 -2.313 1.00 0.00 H new ATOM 963 N ARG A 60 -2.536 8.820 0.132 1.00 0.00 N ATOM 964 CA ARG A 60 -3.322 8.339 1.220 1.00 0.00 C ATOM 965 C ARG A 60 -2.708 7.018 1.728 1.00 0.00 C ATOM 966 O ARG A 60 -3.245 6.333 2.602 1.00 0.00 O ATOM 967 CB ARG A 60 -4.761 8.214 0.707 1.00 0.00 C ATOM 968 CG ARG A 60 -5.846 8.392 1.745 1.00 0.00 C ATOM 969 CD ARG A 60 -6.225 7.106 2.415 1.00 0.00 C ATOM 970 NE ARG A 60 -7.263 7.325 3.422 1.00 0.00 N ATOM 971 CZ ARG A 60 -8.561 7.505 3.167 1.00 0.00 C ATOM 972 NH1 ARG A 60 -9.024 7.417 1.927 1.00 0.00 N ATOM 973 NH2 ARG A 60 -9.394 7.744 4.160 1.00 0.00 N ATOM 0 H ARG A 60 -2.652 8.292 -0.733 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.334 9.010 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.912 8.953 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.880 7.232 0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.508 9.103 2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.728 8.824 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.581 6.395 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.346 6.663 2.884 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.971 7.342 4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.387 7.210 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.017 7.556 1.742 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.046 7.791 5.118 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.387 7.882 3.971 1.00 0.00 H new ATOM 987 N ILE A 61 -1.545 6.717 1.200 1.00 0.00 N ATOM 988 CA ILE A 61 -0.771 5.565 1.590 1.00 0.00 C ATOM 989 C ILE A 61 0.449 6.070 2.381 1.00 0.00 C ATOM 990 O ILE A 61 0.838 7.240 2.244 1.00 0.00 O ATOM 991 CB ILE A 61 -0.311 4.779 0.316 1.00 0.00 C ATOM 992 CG1 ILE A 61 -1.530 4.350 -0.498 1.00 0.00 C ATOM 993 CG2 ILE A 61 0.538 3.565 0.669 1.00 0.00 C ATOM 994 CD1 ILE A 61 -1.202 3.633 -1.782 1.00 0.00 C ATOM 0 H ILE A 61 -1.102 7.278 0.472 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.365 4.889 2.206 1.00 0.00 H new ATOM 0 HB ILE A 61 0.310 5.448 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.152 3.700 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.125 5.233 -0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.835 3.050 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.428 3.888 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.040 2.887 1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.126 3.365 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.607 4.285 -2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.635 2.729 -1.559 1.00 0.00 H new ATOM 1006 N ILE A 62 1.023 5.226 3.199 1.00 0.00 N ATOM 1007 CA ILE A 62 2.183 5.566 3.981 1.00 0.00 C ATOM 1008 C ILE A 62 3.349 4.841 3.357 1.00 0.00 C ATOM 1009 O ILE A 62 3.442 3.604 3.419 1.00 0.00 O ATOM 1010 CB ILE A 62 2.092 5.105 5.490 1.00 0.00 C ATOM 1011 CG1 ILE A 62 0.936 5.745 6.287 1.00 0.00 C ATOM 1012 CG2 ILE A 62 3.401 5.366 6.221 1.00 0.00 C ATOM 1013 CD1 ILE A 62 -0.454 5.300 5.898 1.00 0.00 C ATOM 0 H ILE A 62 0.694 4.271 3.342 1.00 0.00 H new ATOM 0 HA ILE A 62 2.280 6.652 3.983 1.00 0.00 H new ATOM 0 HB ILE A 62 1.887 4.036 5.439 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.084 5.527 7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.996 6.827 6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.311 5.040 7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.205 4.814 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.626 6.432 6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.188 5.812 6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.634 5.543 4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.545 4.223 6.041 1.00 0.00 H new ATOM 1025 N TRP A 63 4.189 5.593 2.729 1.00 0.00 N ATOM 1026 CA TRP A 63 5.341 5.069 2.051 1.00 0.00 C ATOM 1027 C TRP A 63 6.535 5.218 2.957 1.00 0.00 C ATOM 1028 O TRP A 63 6.578 6.170 3.757 1.00 0.00 O ATOM 1029 CB TRP A 63 5.579 5.868 0.764 1.00 0.00 C ATOM 1030 CG TRP A 63 4.410 5.847 -0.165 1.00 0.00 C ATOM 1031 CD1 TRP A 63 3.359 6.713 -0.183 1.00 0.00 C ATOM 1032 CD2 TRP A 63 4.175 4.907 -1.202 1.00 0.00 C ATOM 1033 NE1 TRP A 63 2.476 6.360 -1.166 1.00 0.00 N ATOM 1034 CE2 TRP A 63 2.959 5.252 -1.811 1.00 0.00 C ATOM 1035 CE3 TRP A 63 4.880 3.805 -1.674 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 2.433 4.526 -2.866 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 4.360 3.088 -2.720 1.00 0.00 C ATOM 1038 CH2 TRP A 63 3.151 3.448 -3.305 1.00 0.00 C ATOM 0 H TRP A 63 4.099 6.607 2.668 1.00 0.00 H new ATOM 0 HA TRP A 63 5.186 4.019 1.801 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.811 6.901 1.023 1.00 0.00 H new ATOM 0 HB3 TRP A 63 6.451 5.465 0.250 1.00 0.00 H new ATOM 0 HD1 TRP A 63 3.240 7.556 0.482 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.603 6.841 -1.383 1.00 0.00 H new ATOM 0 HE3 TRP A 63 5.820 3.520 -1.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.494 4.800 -3.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 4.898 2.230 -3.096 1.00 0.00 H new ATOM 0 HH2 TRP A 63 2.769 2.861 -4.127 1.00 0.00 H new ATOM 1049 N PRO A 64 7.500 4.290 2.924 1.00 0.00 N ATOM 1050 CA PRO A 64 8.710 4.472 3.683 1.00 0.00 C ATOM 1051 C PRO A 64 9.505 5.602 3.065 1.00 0.00 C ATOM 1052 O PRO A 64 9.979 5.498 1.923 1.00 0.00 O ATOM 1053 CB PRO A 64 9.455 3.132 3.517 1.00 0.00 C ATOM 1054 CG PRO A 64 8.429 2.184 3.001 1.00 0.00 C ATOM 1055 CD PRO A 64 7.478 3.015 2.196 1.00 0.00 C ATOM 0 HA PRO A 64 8.541 4.722 4.730 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.289 3.227 2.822 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.868 2.789 4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.886 1.408 2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.914 1.681 3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.808 3.128 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.479 2.579 2.166 1.00 0.00 H new ATOM 1063 N LEU A 65 9.678 6.645 3.833 1.00 0.00 N ATOM 1064 CA LEU A 65 10.339 7.853 3.402 1.00 0.00 C ATOM 1065 C LEU A 65 10.340 8.788 4.595 1.00 0.00 C ATOM 1066 O LEU A 65 9.335 9.471 4.859 1.00 0.00 O ATOM 1067 CB LEU A 65 9.575 8.498 2.197 1.00 0.00 C ATOM 1068 CG LEU A 65 10.318 9.545 1.329 1.00 0.00 C ATOM 1069 CD1 LEU A 65 10.656 10.814 2.093 1.00 0.00 C ATOM 1070 CD2 LEU A 65 11.568 8.931 0.728 1.00 0.00 C ATOM 0 H LEU A 65 9.356 6.681 4.800 1.00 0.00 H new ATOM 0 HA LEU A 65 11.354 7.647 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.251 7.691 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.675 8.971 2.589 1.00 0.00 H new ATOM 0 HG LEU A 65 9.638 9.839 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.175 11.509 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.738 11.276 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.298 10.569 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.083 9.675 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.229 8.595 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.292 8.081 0.104 1.00 0.00 H new ATOM 1082 N ASP A 66 11.419 8.705 5.380 1.00 0.00 N ATOM 1083 CA ASP A 66 11.642 9.520 6.603 1.00 0.00 C ATOM 1084 C ASP A 66 10.541 9.229 7.644 1.00 0.00 C ATOM 1085 O ASP A 66 10.373 9.942 8.631 1.00 0.00 O ATOM 1086 CB ASP A 66 11.681 11.024 6.222 1.00 0.00 C ATOM 1087 CG ASP A 66 12.151 11.942 7.327 1.00 0.00 C ATOM 1088 OD1 ASP A 66 13.359 11.920 7.660 1.00 0.00 O ATOM 1089 OD2 ASP A 66 11.341 12.748 7.855 1.00 0.00 O ATOM 0 H ASP A 66 12.185 8.059 5.188 1.00 0.00 H new ATOM 0 HA ASP A 66 12.599 9.255 7.052 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.336 11.150 5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.683 11.332 5.911 1.00 0.00 H new ATOM 1094 N LYS A 67 9.882 8.098 7.473 1.00 0.00 N ATOM 1095 CA LYS A 67 8.683 7.795 8.217 1.00 0.00 C ATOM 1096 C LYS A 67 8.965 6.794 9.332 1.00 0.00 C ATOM 1097 O LYS A 67 8.322 6.822 10.387 1.00 0.00 O ATOM 1098 CB LYS A 67 7.623 7.234 7.259 1.00 0.00 C ATOM 1099 CG LYS A 67 6.204 7.240 7.803 1.00 0.00 C ATOM 1100 CD LYS A 67 5.697 8.663 7.961 1.00 0.00 C ATOM 1101 CE LYS A 67 4.274 8.714 8.480 1.00 0.00 C ATOM 1102 NZ LYS A 67 3.769 10.101 8.550 1.00 0.00 N ATOM 0 H LYS A 67 10.164 7.370 6.817 1.00 0.00 H new ATOM 0 HA LYS A 67 8.316 8.712 8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.645 7.813 6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.893 6.210 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.549 6.688 7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.176 6.729 8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.350 9.205 8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.749 9.173 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.628 8.124 7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.231 8.260 9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.793 10.097 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.371 10.658 9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.787 10.525 7.601 1.00 0.00 H new ATOM 1116 N GLY A 68 9.900 5.910 9.099 1.00 0.00 N ATOM 1117 CA GLY A 68 10.238 4.922 10.099 1.00 0.00 C ATOM 1118 C GLY A 68 9.967 3.510 9.627 1.00 0.00 C ATOM 1119 O GLY A 68 10.154 2.543 10.379 1.00 0.00 O ATOM 0 H GLY A 68 10.439 5.851 8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.292 5.019 10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.665 5.116 11.006 1.00 0.00 H new ATOM 1123 N LEU A 69 9.529 3.383 8.391 1.00 0.00 N ATOM 1124 CA LEU A 69 9.280 2.073 7.800 1.00 0.00 C ATOM 1125 C LEU A 69 10.537 1.620 7.095 1.00 0.00 C ATOM 1126 O LEU A 69 10.764 0.421 6.878 1.00 0.00 O ATOM 1127 CB LEU A 69 8.092 2.075 6.806 1.00 0.00 C ATOM 1128 CG LEU A 69 6.660 2.206 7.374 1.00 0.00 C ATOM 1129 CD1 LEU A 69 6.415 3.555 8.025 1.00 0.00 C ATOM 1130 CD2 LEU A 69 5.637 1.952 6.276 1.00 0.00 C ATOM 0 H LEU A 69 9.336 4.169 7.771 1.00 0.00 H new ATOM 0 HA LEU A 69 9.010 1.388 8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.247 2.894 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.138 1.150 6.231 1.00 0.00 H new ATOM 0 HG LEU A 69 6.550 1.453 8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.395 3.595 8.407 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.116 3.695 8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.557 4.346 7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.632 2.047 6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.773 2.681 5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.773 0.947 5.877 1.00 0.00 H new ATOM 1142 N GLU A 70 11.349 2.601 6.731 1.00 0.00 N ATOM 1143 CA GLU A 70 12.629 2.362 6.100 1.00 0.00 C ATOM 1144 C GLU A 70 13.494 1.647 7.104 1.00 0.00 C ATOM 1145 O GLU A 70 13.614 2.091 8.259 1.00 0.00 O ATOM 1146 CB GLU A 70 13.349 3.673 5.702 1.00 0.00 C ATOM 1147 CG GLU A 70 12.465 4.781 5.141 1.00 0.00 C ATOM 1148 CD GLU A 70 11.740 5.534 6.234 1.00 0.00 C ATOM 1149 OE1 GLU A 70 12.358 6.389 6.872 1.00 0.00 O ATOM 1150 OE2 GLU A 70 10.547 5.274 6.483 1.00 0.00 O ATOM 0 H GLU A 70 11.133 3.589 6.868 1.00 0.00 H new ATOM 0 HA GLU A 70 12.462 1.784 5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.868 4.059 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.111 3.434 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.076 5.476 4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.737 4.351 4.453 1.00 0.00 H new ATOM 1157 N HIS A 71 14.086 0.571 6.709 1.00 0.00 N ATOM 1158 CA HIS A 71 14.880 -0.196 7.634 1.00 0.00 C ATOM 1159 C HIS A 71 16.301 0.292 7.678 1.00 0.00 C ATOM 1160 O HIS A 71 16.784 0.905 6.722 1.00 0.00 O ATOM 1161 CB HIS A 71 14.774 -1.700 7.368 1.00 0.00 C ATOM 1162 CG HIS A 71 13.407 -2.227 7.680 1.00 0.00 C ATOM 1163 ND1 HIS A 71 12.613 -2.888 6.772 1.00 0.00 N ATOM 1164 CD2 HIS A 71 12.685 -2.165 8.821 1.00 0.00 C ATOM 1165 CE1 HIS A 71 11.466 -3.198 7.340 1.00 0.00 C ATOM 1166 NE2 HIS A 71 11.490 -2.774 8.578 1.00 0.00 N ATOM 0 H HIS A 71 14.042 0.197 5.761 1.00 0.00 H new ATOM 0 HA HIS A 71 14.468 -0.037 8.631 1.00 0.00 H new ATOM 0 HB2 HIS A 71 15.011 -1.902 6.323 1.00 0.00 H new ATOM 0 HB3 HIS A 71 15.513 -2.228 7.970 1.00 0.00 H new ATOM 0 HD2 HIS A 71 12.997 -1.716 9.752 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.645 -3.714 6.865 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.734 -2.882 9.254 1.00 0.00 H new ATOM 1175 N HIS A 72 16.952 0.070 8.808 1.00 0.00 N ATOM 1176 CA HIS A 72 18.323 0.508 9.009 1.00 0.00 C ATOM 1177 C HIS A 72 19.243 -0.305 8.105 1.00 0.00 C ATOM 1178 O HIS A 72 20.253 0.195 7.606 1.00 0.00 O ATOM 1179 CB HIS A 72 18.712 0.379 10.490 1.00 0.00 C ATOM 1180 CG HIS A 72 20.039 0.988 10.860 1.00 0.00 C ATOM 1181 ND1 HIS A 72 20.196 2.318 11.165 1.00 0.00 N ATOM 1182 CD2 HIS A 72 21.262 0.432 11.005 1.00 0.00 C ATOM 1183 CE1 HIS A 72 21.449 2.551 11.478 1.00 0.00 C ATOM 1184 NE2 HIS A 72 22.117 1.426 11.391 1.00 0.00 N ATOM 0 H HIS A 72 16.547 -0.416 9.608 1.00 0.00 H new ATOM 0 HA HIS A 72 18.422 1.560 8.743 1.00 0.00 H new ATOM 0 HB2 HIS A 72 17.935 0.846 11.095 1.00 0.00 H new ATOM 0 HB3 HIS A 72 18.729 -0.678 10.754 1.00 0.00 H new ATOM 0 HD2 HIS A 72 21.517 -0.605 10.845 1.00 0.00 H new ATOM 0 HE1 HIS A 72 21.861 3.509 11.760 1.00 0.00 H new ATOM 0 HE2 HIS A 72 23.113 1.311 11.581 1.00 0.00 H new ATOM 1193 N HIS A 73 18.882 -1.550 7.905 1.00 0.00 N ATOM 1194 CA HIS A 73 19.559 -2.397 6.961 1.00 0.00 C ATOM 1195 C HIS A 73 18.864 -2.246 5.636 1.00 0.00 C ATOM 1196 O HIS A 73 17.723 -2.694 5.476 1.00 0.00 O ATOM 1197 CB HIS A 73 19.560 -3.874 7.396 1.00 0.00 C ATOM 1198 CG HIS A 73 20.410 -4.169 8.592 1.00 0.00 C ATOM 1199 ND1 HIS A 73 20.016 -4.999 9.612 1.00 0.00 N ATOM 1200 CD2 HIS A 73 21.667 -3.781 8.896 1.00 0.00 C ATOM 1201 CE1 HIS A 73 20.993 -5.105 10.490 1.00 0.00 C ATOM 1202 NE2 HIS A 73 22.001 -4.375 10.072 1.00 0.00 N ATOM 0 H HIS A 73 18.109 -2.002 8.394 1.00 0.00 H new ATOM 0 HA HIS A 73 20.604 -2.095 6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 73 18.535 -4.177 7.611 1.00 0.00 H new ATOM 0 HB3 HIS A 73 19.905 -4.485 6.562 1.00 0.00 H new ATOM 0 HD2 HIS A 73 22.292 -3.121 8.313 1.00 0.00 H new ATOM 0 HE1 HIS A 73 20.969 -5.691 11.397 1.00 0.00 H new ATOM 0 HE2 HIS A 73 22.894 -4.270 10.554 1.00 0.00 H new ATOM 1211 N HIS A 74 19.522 -1.556 4.722 1.00 0.00 N ATOM 1212 CA HIS A 74 18.977 -1.263 3.389 1.00 0.00 C ATOM 1213 C HIS A 74 18.548 -2.536 2.642 1.00 0.00 C ATOM 1214 O HIS A 74 19.231 -3.578 2.692 1.00 0.00 O ATOM 1215 CB HIS A 74 19.989 -0.459 2.519 1.00 0.00 C ATOM 1216 CG HIS A 74 21.219 -1.234 2.102 1.00 0.00 C ATOM 1217 ND1 HIS A 74 21.582 -1.434 0.792 1.00 0.00 N ATOM 1218 CD2 HIS A 74 22.147 -1.875 2.838 1.00 0.00 C ATOM 1219 CE1 HIS A 74 22.668 -2.167 0.751 1.00 0.00 C ATOM 1220 NE2 HIS A 74 23.031 -2.445 1.980 1.00 0.00 N ATOM 0 H HIS A 74 20.456 -1.176 4.875 1.00 0.00 H new ATOM 0 HA HIS A 74 18.090 -0.651 3.553 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.477 -0.106 1.623 1.00 0.00 H new ATOM 0 HB3 HIS A 74 20.304 0.424 3.075 1.00 0.00 H new ATOM 0 HD2 HIS A 74 22.182 -1.926 3.916 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.178 -2.488 -0.145 1.00 0.00 H new ATOM 0 HE2 HIS A 74 23.845 -2.999 2.248 1.00 0.00 H new ATOM 1229 N HIS A 75 17.429 -2.438 1.982 1.00 0.00 N ATOM 1230 CA HIS A 75 16.897 -3.500 1.157 1.00 0.00 C ATOM 1231 C HIS A 75 17.749 -3.648 -0.102 1.00 0.00 C ATOM 1232 O HIS A 75 18.101 -2.659 -0.733 1.00 0.00 O ATOM 1233 CB HIS A 75 15.431 -3.168 0.785 1.00 0.00 C ATOM 1234 CG HIS A 75 14.789 -4.098 -0.216 1.00 0.00 C ATOM 1235 ND1 HIS A 75 14.041 -5.189 0.136 1.00 0.00 N ATOM 1236 CD2 HIS A 75 14.769 -4.059 -1.572 1.00 0.00 C ATOM 1237 CE1 HIS A 75 13.591 -5.778 -0.945 1.00 0.00 C ATOM 1238 NE2 HIS A 75 14.020 -5.111 -1.992 1.00 0.00 N ATOM 0 H HIS A 75 16.844 -1.602 1.999 1.00 0.00 H new ATOM 0 HA HIS A 75 16.920 -4.443 1.704 1.00 0.00 H new ATOM 0 HB2 HIS A 75 14.833 -3.174 1.696 1.00 0.00 H new ATOM 0 HB3 HIS A 75 15.396 -2.154 0.387 1.00 0.00 H new ATOM 0 HD2 HIS A 75 15.257 -3.328 -2.200 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.972 -6.663 -0.971 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.822 -5.346 -2.965 1.00 0.00 H new ATOM 1247 N HIS A 76 18.060 -4.859 -0.454 1.00 0.00 N ATOM 1248 CA HIS A 76 18.799 -5.144 -1.655 1.00 0.00 C ATOM 1249 C HIS A 76 18.343 -6.489 -2.172 1.00 0.00 C ATOM 1250 O HIS A 76 17.490 -6.519 -3.055 1.00 0.00 O ATOM 1251 CB HIS A 76 20.324 -5.126 -1.406 1.00 0.00 C ATOM 1252 CG HIS A 76 21.153 -5.288 -2.659 1.00 0.00 C ATOM 1253 ND1 HIS A 76 22.081 -6.283 -2.831 1.00 0.00 N ATOM 1254 CD2 HIS A 76 21.202 -4.544 -3.788 1.00 0.00 C ATOM 1255 CE1 HIS A 76 22.663 -6.146 -4.001 1.00 0.00 C ATOM 1256 NE2 HIS A 76 22.150 -5.099 -4.604 1.00 0.00 N ATOM 1257 OXT HIS A 76 18.783 -7.525 -1.636 1.00 0.00 O ATOM 0 H HIS A 76 17.808 -5.687 0.086 1.00 0.00 H new ATOM 0 HA HIS A 76 18.604 -4.371 -2.398 1.00 0.00 H new ATOM 0 HB2 HIS A 76 20.592 -4.186 -0.924 1.00 0.00 H new ATOM 0 HB3 HIS A 76 20.578 -5.925 -0.709 1.00 0.00 H new ATOM 0 HD2 HIS A 76 20.603 -3.672 -4.005 1.00 0.00 H new ATOM 0 HE1 HIS A 76 23.435 -6.788 -4.400 1.00 0.00 H new ATOM 0 HE2 HIS A 76 22.414 -4.756 -5.528 1.00 0.00 H new TER 1266 HIS A 76