USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 464 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 4 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 8 LYS NZ :NH3+ 154:sc= 0.591 (180deg=0.207) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.953 (180deg=-1.47!) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.04 (180deg=-0.579) USER MOD Single : A 9 GLN : amide:sc= -0.035 X(o=-0.035,f=-0.035) USER MOD Single : A 10 MET CE :methyl -170:sc= -0.527 (180deg=-0.841) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -4.62 K(o=-4.6,f=-8.6!) USER MOD Single : A 25 TYR OH : rot 123:sc= -0.987 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc=-0.00615 X(o=-0.0061,f=0) USER MOD Single : A 39 THR OG1 : rot 87:sc= 0.831 USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= -0.178 (180deg=-0.856) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= 0.357 (180deg=0.131) USER MOD Single : A 49 CYS SG : rot 90:sc= -1.27 USER MOD Single : A 50 SER OG : rot 180:sc=-0.00288 USER MOD Single : A 54 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.5!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.182 -7.251 -3.789 1.00 0.00 N ATOM 2 CA MET A 1 -12.325 -7.939 -2.518 1.00 0.00 C ATOM 3 C MET A 1 -11.012 -7.920 -1.734 1.00 0.00 C ATOM 4 O MET A 1 -10.001 -7.417 -2.221 1.00 0.00 O ATOM 5 CB MET A 1 -12.749 -9.388 -2.768 1.00 0.00 C ATOM 6 CG MET A 1 -14.261 -9.488 -2.976 1.00 0.00 C ATOM 7 SD MET A 1 -14.688 -8.951 -4.624 1.00 0.00 S ATOM 8 CE MET A 1 -15.385 -7.349 -4.256 1.00 0.00 C ATOM 0 H1 MET A 1 -12.840 -7.662 -4.482 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.398 -6.241 -3.663 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.206 -7.356 -4.133 1.00 0.00 H new ATOM 0 HA MET A 1 -13.085 -7.424 -1.930 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.231 -9.776 -3.645 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.453 -10.009 -1.922 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.590 -10.516 -2.823 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.779 -8.874 -2.239 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.265 -6.693 -5.118 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.445 -7.457 -4.027 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.871 -6.917 -3.397 1.00 0.00 H new ATOM 16 N ALA A 2 -11.069 -8.474 -0.532 1.00 0.00 N ATOM 17 CA ALA A 2 -9.897 -8.527 0.325 1.00 0.00 C ATOM 18 C ALA A 2 -9.765 -9.932 0.916 1.00 0.00 C ATOM 19 O ALA A 2 -10.677 -10.417 1.585 1.00 0.00 O ATOM 20 CB ALA A 2 -10.005 -7.448 1.405 1.00 0.00 C ATOM 0 H ALA A 2 -11.909 -8.890 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.993 -8.325 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.126 -7.488 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.066 -6.467 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.900 -7.620 2.003 1.00 0.00 H new ATOM 26 N ASP A 3 -8.623 -10.548 0.647 1.00 0.00 N ATOM 27 CA ASP A 3 -8.360 -11.888 1.144 1.00 0.00 C ATOM 28 C ASP A 3 -6.948 -11.941 1.731 1.00 0.00 C ATOM 29 O ASP A 3 -6.397 -13.022 1.935 1.00 0.00 O ATOM 30 CB ASP A 3 -8.442 -12.919 0.017 1.00 0.00 C ATOM 31 CG ASP A 3 -8.332 -14.377 0.466 1.00 0.00 C ATOM 32 OD1 ASP A 3 -8.257 -14.588 1.695 1.00 0.00 O ATOM 33 OD2 ASP A 3 -8.326 -15.248 -0.431 1.00 0.00 O ATOM 0 H ASP A 3 -7.869 -10.144 0.091 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.109 -12.120 1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.388 -12.787 -0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.648 -12.715 -0.701 1.00 0.00 H new ATOM 37 N SER A 4 -6.404 -10.761 1.988 1.00 0.00 N ATOM 38 CA SER A 4 -5.067 -10.660 2.548 1.00 0.00 C ATOM 39 C SER A 4 -4.024 -10.725 1.430 1.00 0.00 C ATOM 40 O SER A 4 -3.130 -9.883 1.360 1.00 0.00 O ATOM 41 CB SER A 4 -4.813 -11.766 3.574 1.00 0.00 C ATOM 42 OG SER A 4 -3.788 -11.415 4.498 1.00 0.00 O ATOM 0 H SER A 4 -6.865 -9.867 1.819 1.00 0.00 H new ATOM 0 HA SER A 4 -4.984 -9.701 3.059 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.735 -11.974 4.118 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.534 -12.684 3.056 1.00 0.00 H new ATOM 0 HG SER A 4 -3.658 -12.147 5.136 1.00 0.00 H new ATOM 47 N ALA A 5 -4.175 -11.733 0.582 1.00 0.00 N ATOM 48 CA ALA A 5 -3.257 -11.919 -0.529 1.00 0.00 C ATOM 49 C ALA A 5 -3.524 -10.848 -1.590 1.00 0.00 C ATOM 50 O ALA A 5 -2.598 -10.378 -2.249 1.00 0.00 O ATOM 51 CB ALA A 5 -3.406 -13.337 -1.082 1.00 0.00 C ATOM 0 H ALA A 5 -4.919 -12.428 0.642 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.225 -11.805 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.718 -13.477 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.178 -14.059 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.429 -13.487 -1.427 1.00 0.00 H new ATOM 57 N GLU A 6 -4.794 -10.493 -1.720 1.00 0.00 N ATOM 58 CA GLU A 6 -5.195 -9.488 -2.689 1.00 0.00 C ATOM 59 C GLU A 6 -4.584 -8.131 -2.328 1.00 0.00 C ATOM 60 O GLU A 6 -4.111 -7.408 -3.203 1.00 0.00 O ATOM 61 CB GLU A 6 -6.718 -9.395 -2.786 1.00 0.00 C ATOM 62 CG GLU A 6 -7.193 -9.631 -4.221 1.00 0.00 C ATOM 63 CD GLU A 6 -8.508 -8.897 -4.492 1.00 0.00 C ATOM 64 OE1 GLU A 6 -9.522 -9.307 -3.886 1.00 0.00 O ATOM 65 OE2 GLU A 6 -8.469 -7.942 -5.298 1.00 0.00 O ATOM 0 H GLU A 6 -5.559 -10.884 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.820 -9.786 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.173 -10.131 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.048 -8.413 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.431 -9.289 -4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.327 -10.699 -4.392 1.00 0.00 H new ATOM 70 N LEU A 7 -4.617 -7.827 -1.040 1.00 0.00 N ATOM 71 CA LEU A 7 -4.073 -6.572 -0.553 1.00 0.00 C ATOM 72 C LEU A 7 -2.574 -6.517 -0.858 1.00 0.00 C ATOM 73 O LEU A 7 -2.060 -5.482 -1.276 1.00 0.00 O ATOM 74 CB LEU A 7 -4.407 -6.381 0.928 1.00 0.00 C ATOM 75 CG LEU A 7 -5.876 -6.562 1.313 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.014 -6.929 2.792 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.695 -5.322 0.951 1.00 0.00 C ATOM 0 H LEU A 7 -5.013 -8.429 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.535 -5.731 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.811 -7.085 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.095 -5.379 1.224 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.280 -7.394 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.068 -7.052 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.485 -7.862 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.588 -6.135 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.736 -5.478 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.299 -4.457 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.635 -5.147 -0.123 1.00 0.00 H new ATOM 88 N LYS A 8 -1.916 -7.645 -0.635 1.00 0.00 N ATOM 89 CA LYS A 8 -0.487 -7.740 -0.881 1.00 0.00 C ATOM 90 C LYS A 8 -0.226 -7.652 -2.385 1.00 0.00 C ATOM 91 O LYS A 8 0.664 -6.924 -2.823 1.00 0.00 O ATOM 92 CB LYS A 8 0.086 -8.999 -0.228 1.00 0.00 C ATOM 93 CG LYS A 8 1.279 -8.659 0.666 1.00 0.00 C ATOM 94 CD LYS A 8 1.281 -9.522 1.930 1.00 0.00 C ATOM 95 CE LYS A 8 0.243 -9.022 2.936 1.00 0.00 C ATOM 96 NZ LYS A 8 -0.768 -10.069 3.201 1.00 0.00 N ATOM 0 H LYS A 8 -2.346 -8.502 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 8 0.036 -6.903 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.687 -9.490 0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.395 -9.705 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.207 -8.813 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.243 -7.605 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.069 -10.558 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.271 -9.505 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.736 -8.740 3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.245 -8.127 2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.178 -9.924 4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.520 -10.014 2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.317 -11.005 3.159 1.00 0.00 H new ATOM 106 N GLN A 9 -1.018 -8.404 -3.136 1.00 0.00 N ATOM 107 CA GLN A 9 -0.882 -8.421 -4.582 1.00 0.00 C ATOM 108 C GLN A 9 -1.057 -7.010 -5.148 1.00 0.00 C ATOM 109 O GLN A 9 -0.296 -6.586 -6.016 1.00 0.00 O ATOM 110 CB GLN A 9 -1.880 -9.393 -5.215 1.00 0.00 C ATOM 111 CG GLN A 9 -1.173 -10.650 -5.723 1.00 0.00 C ATOM 112 CD GLN A 9 -0.403 -10.363 -7.013 1.00 0.00 C ATOM 113 OE1 GLN A 9 -0.971 -10.092 -8.059 1.00 0.00 O ATOM 114 NE2 GLN A 9 0.918 -10.438 -6.883 1.00 0.00 N ATOM 0 H GLN A 9 -1.756 -9.006 -2.770 1.00 0.00 H new ATOM 0 HA GLN A 9 0.121 -8.769 -4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.639 -9.669 -4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.397 -8.903 -6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.487 -11.019 -4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.906 -11.437 -5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.329 -10.670 -5.979 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.520 -10.264 -7.688 1.00 0.00 H new ATOM 121 N MET A 10 -2.065 -6.321 -4.633 1.00 0.00 N ATOM 122 CA MET A 10 -2.349 -4.966 -5.075 1.00 0.00 C ATOM 123 C MET A 10 -1.284 -3.991 -4.573 1.00 0.00 C ATOM 124 O MET A 10 -0.798 -3.151 -5.330 1.00 0.00 O ATOM 125 CB MET A 10 -3.722 -4.537 -4.554 1.00 0.00 C ATOM 126 CG MET A 10 -4.842 -5.103 -5.429 1.00 0.00 C ATOM 127 SD MET A 10 -6.422 -4.488 -4.871 1.00 0.00 S ATOM 128 CE MET A 10 -6.601 -5.419 -3.360 1.00 0.00 C ATOM 0 H MET A 10 -2.695 -6.676 -3.914 1.00 0.00 H new ATOM 0 HA MET A 10 -2.343 -4.950 -6.165 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.849 -4.881 -3.527 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.784 -3.449 -4.536 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.680 -4.821 -6.469 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.831 -6.192 -5.388 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.612 -5.292 -2.972 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.419 -6.475 -3.560 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.882 -5.060 -2.624 1.00 0.00 H new ATOM 136 N VAL A 11 -0.951 -4.131 -3.298 1.00 0.00 N ATOM 137 CA VAL A 11 0.048 -3.273 -2.685 1.00 0.00 C ATOM 138 C VAL A 11 1.395 -3.490 -3.378 1.00 0.00 C ATOM 139 O VAL A 11 2.139 -2.538 -3.607 1.00 0.00 O ATOM 140 CB VAL A 11 0.103 -3.528 -1.177 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.482 -3.178 -0.613 1.00 0.00 C ATOM 142 CG2 VAL A 11 -0.998 -2.755 -0.450 1.00 0.00 C ATOM 0 H VAL A 11 -1.356 -4.827 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.219 -2.224 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.068 -4.591 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.495 -3.368 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.240 -3.791 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.694 -2.125 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.936 -2.954 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.871 -1.687 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.972 -3.072 -0.823 1.00 0.00 H new ATOM 152 N MET A 12 1.666 -4.747 -3.694 1.00 0.00 N ATOM 153 CA MET A 12 2.910 -5.101 -4.356 1.00 0.00 C ATOM 154 C MET A 12 3.055 -4.355 -5.684 1.00 0.00 C ATOM 155 O MET A 12 4.169 -4.094 -6.135 1.00 0.00 O ATOM 156 CB MET A 12 2.942 -6.610 -4.611 1.00 0.00 C ATOM 157 CG MET A 12 3.621 -7.346 -3.454 1.00 0.00 C ATOM 158 SD MET A 12 5.192 -8.002 -3.988 1.00 0.00 S ATOM 159 CE MET A 12 4.674 -9.602 -4.587 1.00 0.00 C ATOM 0 H MET A 12 1.045 -5.534 -3.504 1.00 0.00 H new ATOM 0 HA MET A 12 3.739 -4.816 -3.708 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.926 -6.983 -4.738 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.475 -6.815 -5.540 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.768 -6.666 -2.615 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.981 -8.154 -3.101 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.540 -10.149 -4.960 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.213 -10.163 -3.774 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.952 -9.472 -5.393 1.00 0.00 H new ATOM 167 N SER A 13 1.913 -4.035 -6.274 1.00 0.00 N ATOM 168 CA SER A 13 1.899 -3.324 -7.541 1.00 0.00 C ATOM 169 C SER A 13 2.010 -1.818 -7.299 1.00 0.00 C ATOM 170 O SER A 13 2.674 -1.111 -8.056 1.00 0.00 O ATOM 171 CB SER A 13 0.630 -3.640 -8.336 1.00 0.00 C ATOM 172 OG SER A 13 0.617 -2.987 -9.602 1.00 0.00 O ATOM 0 H SER A 13 0.991 -4.255 -5.898 1.00 0.00 H new ATOM 0 HA SER A 13 2.756 -3.656 -8.127 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.553 -4.717 -8.483 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.244 -3.334 -7.761 1.00 0.00 H new ATOM 0 HG SER A 13 -0.208 -3.215 -10.079 1.00 0.00 H new ATOM 177 N LEU A 14 1.351 -1.371 -6.240 1.00 0.00 N ATOM 178 CA LEU A 14 1.369 0.039 -5.888 1.00 0.00 C ATOM 179 C LEU A 14 2.798 0.572 -6.005 1.00 0.00 C ATOM 180 O LEU A 14 3.758 -0.193 -5.926 1.00 0.00 O ATOM 181 CB LEU A 14 0.744 0.255 -4.507 1.00 0.00 C ATOM 182 CG LEU A 14 -0.772 0.075 -4.422 1.00 0.00 C ATOM 183 CD1 LEU A 14 -1.248 0.109 -2.968 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.496 1.110 -5.286 1.00 0.00 C ATOM 0 H LEU A 14 0.801 -1.960 -5.614 1.00 0.00 H new ATOM 0 HA LEU A 14 0.756 0.612 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.212 -0.436 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.990 1.263 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.022 -0.909 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.330 -0.021 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.769 -0.695 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.985 1.068 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.573 0.960 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.243 2.113 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.188 0.996 -6.325 1.00 0.00 H new ATOM 195 N ARG A 15 2.894 1.880 -6.193 1.00 0.00 N ATOM 196 CA ARG A 15 4.190 2.524 -6.322 1.00 0.00 C ATOM 197 C ARG A 15 4.605 3.155 -4.992 1.00 0.00 C ATOM 198 O ARG A 15 3.845 3.130 -4.025 1.00 0.00 O ATOM 199 CB ARG A 15 4.161 3.606 -7.404 1.00 0.00 C ATOM 200 CG ARG A 15 3.740 3.021 -8.754 1.00 0.00 C ATOM 201 CD ARG A 15 4.798 2.051 -9.285 1.00 0.00 C ATOM 202 NE ARG A 15 4.970 2.238 -10.742 1.00 0.00 N ATOM 203 CZ ARG A 15 5.833 1.540 -11.493 1.00 0.00 C ATOM 204 NH1 ARG A 15 6.607 0.604 -10.927 1.00 0.00 N ATOM 205 NH2 ARG A 15 5.921 1.776 -12.809 1.00 0.00 N ATOM 0 H ARG A 15 2.095 2.511 -6.259 1.00 0.00 H new ATOM 0 HA ARG A 15 4.913 1.759 -6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.469 4.396 -7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.147 4.063 -7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.787 2.503 -8.649 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.587 3.827 -9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.746 2.219 -8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.500 1.024 -9.075 1.00 0.00 H new ATOM 0 HE ARG A 15 4.396 2.943 -11.204 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.539 0.423 -9.925 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.264 0.072 -11.498 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.331 2.488 -13.240 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.578 1.244 -13.380 1.00 0.00 H new ATOM 216 N VAL A 16 5.810 3.705 -4.985 1.00 0.00 N ATOM 217 CA VAL A 16 6.336 4.340 -3.788 1.00 0.00 C ATOM 218 C VAL A 16 5.401 5.476 -3.366 1.00 0.00 C ATOM 219 O VAL A 16 5.041 5.587 -2.195 1.00 0.00 O ATOM 220 CB VAL A 16 7.773 4.807 -4.031 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.268 5.679 -2.876 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.705 3.615 -4.259 1.00 0.00 C ATOM 0 H VAL A 16 6.437 3.724 -5.789 1.00 0.00 H new ATOM 0 HA VAL A 16 6.375 3.628 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 16 7.780 5.415 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.292 5.998 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.627 6.555 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.239 5.106 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.720 3.974 -4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.691 2.969 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.369 3.051 -5.129 1.00 0.00 H new ATOM 232 N SER A 17 5.035 6.292 -4.344 1.00 0.00 N ATOM 233 CA SER A 17 4.149 7.416 -4.090 1.00 0.00 C ATOM 234 C SER A 17 2.834 6.918 -3.486 1.00 0.00 C ATOM 235 O SER A 17 2.305 7.525 -2.556 1.00 0.00 O ATOM 236 CB SER A 17 3.879 8.206 -5.372 1.00 0.00 C ATOM 237 OG SER A 17 4.079 9.605 -5.188 1.00 0.00 O ATOM 0 H SER A 17 5.336 6.197 -5.314 1.00 0.00 H new ATOM 0 HA SER A 17 4.638 8.084 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.536 7.847 -6.164 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.855 8.026 -5.700 1.00 0.00 H new ATOM 0 HG SER A 17 3.899 10.075 -6.029 1.00 0.00 H new ATOM 242 N GLU A 18 2.343 5.820 -4.041 1.00 0.00 N ATOM 243 CA GLU A 18 1.100 5.235 -3.570 1.00 0.00 C ATOM 244 C GLU A 18 1.284 4.656 -2.165 1.00 0.00 C ATOM 245 O GLU A 18 0.409 4.799 -1.312 1.00 0.00 O ATOM 246 CB GLU A 18 0.594 4.166 -4.540 1.00 0.00 C ATOM 247 CG GLU A 18 0.617 4.678 -5.982 1.00 0.00 C ATOM 248 CD GLU A 18 0.036 6.091 -6.069 1.00 0.00 C ATOM 249 OE1 GLU A 18 0.688 7.008 -5.523 1.00 0.00 O ATOM 250 OE2 GLU A 18 -1.045 6.223 -6.682 1.00 0.00 O ATOM 0 H GLU A 18 2.784 5.320 -4.813 1.00 0.00 H new ATOM 0 HA GLU A 18 0.347 6.022 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.213 3.273 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.421 3.876 -4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.641 4.678 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.044 4.005 -6.620 1.00 0.00 H new ATOM 255 N LEU A 19 2.428 4.017 -1.968 1.00 0.00 N ATOM 256 CA LEU A 19 2.739 3.417 -0.682 1.00 0.00 C ATOM 257 C LEU A 19 2.907 4.521 0.364 1.00 0.00 C ATOM 258 O LEU A 19 2.524 4.350 1.520 1.00 0.00 O ATOM 259 CB LEU A 19 3.951 2.492 -0.800 1.00 0.00 C ATOM 260 CG LEU A 19 3.809 1.322 -1.775 1.00 0.00 C ATOM 261 CD1 LEU A 19 5.142 1.013 -2.460 1.00 0.00 C ATOM 262 CD2 LEU A 19 3.227 0.093 -1.075 1.00 0.00 C ATOM 0 H LEU A 19 3.151 3.902 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 19 1.916 2.784 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.811 3.089 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.174 2.090 0.188 1.00 0.00 H new ATOM 0 HG LEU A 19 3.106 1.612 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.013 0.177 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.478 1.890 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.886 0.752 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.136 -0.724 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.886 -0.209 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.243 0.335 -0.674 1.00 0.00 H new ATOM 273 N GLN A 20 3.480 5.630 -0.081 1.00 0.00 N ATOM 274 CA GLN A 20 3.704 6.763 0.802 1.00 0.00 C ATOM 275 C GLN A 20 2.380 7.235 1.405 1.00 0.00 C ATOM 276 O GLN A 20 2.312 7.549 2.592 1.00 0.00 O ATOM 277 CB GLN A 20 4.409 7.902 0.064 1.00 0.00 C ATOM 278 CG GLN A 20 5.907 7.620 -0.079 1.00 0.00 C ATOM 279 CD GLN A 20 6.713 8.919 -0.065 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.220 9.982 0.276 1.00 0.00 O ATOM 281 NE2 GLN A 20 7.977 8.775 -0.451 1.00 0.00 N ATOM 0 H GLN A 20 3.796 5.768 -1.041 1.00 0.00 H new ATOM 0 HA GLN A 20 4.356 6.443 1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.964 8.031 -0.923 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.261 8.837 0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.238 6.974 0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.092 7.083 -1.009 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.325 7.856 -0.724 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.598 9.584 -0.474 1.00 0.00 H new ATOM 288 N VAL A 21 1.361 7.272 0.559 1.00 0.00 N ATOM 289 CA VAL A 21 0.042 7.702 0.993 1.00 0.00 C ATOM 290 C VAL A 21 -0.463 6.756 2.085 1.00 0.00 C ATOM 291 O VAL A 21 -1.088 7.194 3.049 1.00 0.00 O ATOM 292 CB VAL A 21 -0.902 7.787 -0.207 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.875 6.607 -0.224 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.655 9.119 -0.217 1.00 0.00 C ATOM 0 H VAL A 21 1.422 7.011 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 21 0.088 8.702 1.424 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.298 7.736 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.535 6.692 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.315 5.674 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.470 6.613 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.320 9.155 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.242 9.212 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.941 9.940 -0.275 1.00 0.00 H new ATOM 304 N LEU A 22 -0.173 5.477 1.897 1.00 0.00 N ATOM 305 CA LEU A 22 -0.590 4.467 2.855 1.00 0.00 C ATOM 306 C LEU A 22 -0.016 4.807 4.231 1.00 0.00 C ATOM 307 O LEU A 22 -0.728 4.760 5.233 1.00 0.00 O ATOM 308 CB LEU A 22 -0.212 3.070 2.358 1.00 0.00 C ATOM 309 CG LEU A 22 -0.645 2.725 0.931 1.00 0.00 C ATOM 310 CD1 LEU A 22 -0.327 1.266 0.599 1.00 0.00 C ATOM 311 CD2 LEU A 22 -2.124 3.053 0.713 1.00 0.00 C ATOM 0 H LEU A 22 0.346 5.117 1.096 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.675 4.462 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.871 2.963 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.646 2.335 3.036 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.072 3.344 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.645 1.047 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.746 1.098 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.856 0.612 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.406 2.799 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.731 2.477 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.289 4.117 0.881 1.00 0.00 H new ATOM 322 N LEU A 23 1.266 5.139 4.237 1.00 0.00 N ATOM 323 CA LEU A 23 1.945 5.487 5.474 1.00 0.00 C ATOM 324 C LEU A 23 1.501 6.881 5.919 1.00 0.00 C ATOM 325 O LEU A 23 1.181 7.090 7.088 1.00 0.00 O ATOM 326 CB LEU A 23 3.460 5.344 5.312 1.00 0.00 C ATOM 327 CG LEU A 23 3.979 3.926 5.070 1.00 0.00 C ATOM 328 CD1 LEU A 23 2.978 2.883 5.570 1.00 0.00 C ATOM 329 CD2 LEU A 23 4.337 3.718 3.598 1.00 0.00 C ATOM 0 H LEU A 23 1.854 5.175 3.404 1.00 0.00 H new ATOM 0 HA LEU A 23 1.667 4.796 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.777 5.972 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.940 5.737 6.209 1.00 0.00 H new ATOM 0 HG LEU A 23 4.895 3.794 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.372 1.883 5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.816 3.018 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.032 3.004 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.703 2.702 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.451 3.876 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.112 4.428 3.308 1.00 0.00 H new ATOM 340 N GLY A 24 1.499 7.799 4.964 1.00 0.00 N ATOM 341 CA GLY A 24 1.101 9.169 5.244 1.00 0.00 C ATOM 342 C GLY A 24 -0.308 9.219 5.839 1.00 0.00 C ATOM 343 O GLY A 24 -0.544 9.913 6.826 1.00 0.00 O ATOM 0 H GLY A 24 1.766 7.622 3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.809 9.623 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.133 9.756 4.326 1.00 0.00 H new ATOM 347 N TYR A 25 -1.208 8.474 5.213 1.00 0.00 N ATOM 348 CA TYR A 25 -2.587 8.425 5.668 1.00 0.00 C ATOM 349 C TYR A 25 -2.703 7.646 6.981 1.00 0.00 C ATOM 350 O TYR A 25 -3.756 7.650 7.617 1.00 0.00 O ATOM 351 CB TYR A 25 -3.365 7.684 4.579 1.00 0.00 C ATOM 352 CG TYR A 25 -4.863 7.559 4.861 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.583 8.662 5.273 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.495 6.342 4.703 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.994 8.544 5.538 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.906 6.223 4.968 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.586 7.330 5.372 1.00 0.00 C ATOM 358 OH TYR A 25 -8.917 7.219 5.623 1.00 0.00 O ATOM 0 H TYR A 25 -1.009 7.899 4.394 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.969 9.431 5.844 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.226 8.203 3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.943 6.686 4.461 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.088 9.614 5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.932 5.479 4.381 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.569 9.399 5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.412 5.277 4.849 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.373 6.881 4.824 1.00 0.00 H new ATOM 367 N ALA A 26 -1.608 6.997 7.346 1.00 0.00 N ATOM 368 CA ALA A 26 -1.574 6.216 8.571 1.00 0.00 C ATOM 369 C ALA A 26 -0.702 6.933 9.603 1.00 0.00 C ATOM 370 O ALA A 26 -0.698 6.569 10.779 1.00 0.00 O ATOM 371 CB ALA A 26 -1.071 4.805 8.262 1.00 0.00 C ATOM 0 H ALA A 26 -0.737 6.996 6.815 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.574 6.120 8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.045 4.219 9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.741 4.329 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.068 4.861 7.839 1.00 0.00 H new ATOM 377 N GLY A 27 0.017 7.940 9.128 1.00 0.00 N ATOM 378 CA GLY A 27 0.890 8.710 9.996 1.00 0.00 C ATOM 379 C GLY A 27 2.311 8.143 9.987 1.00 0.00 C ATOM 380 O GLY A 27 3.270 8.857 10.278 1.00 0.00 O ATOM 0 H GLY A 27 0.012 8.240 8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.908 9.750 9.670 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.498 8.701 11.013 1.00 0.00 H new ATOM 384 N ARG A 28 2.402 6.865 9.651 1.00 0.00 N ATOM 385 CA ARG A 28 3.690 6.194 9.600 1.00 0.00 C ATOM 386 C ARG A 28 4.694 7.031 8.805 1.00 0.00 C ATOM 387 O ARG A 28 4.305 7.913 8.041 1.00 0.00 O ATOM 388 CB ARG A 28 3.565 4.812 8.955 1.00 0.00 C ATOM 389 CG ARG A 28 2.718 3.878 9.820 1.00 0.00 C ATOM 390 CD ARG A 28 3.598 2.890 10.587 1.00 0.00 C ATOM 391 NE ARG A 28 3.269 2.930 12.029 1.00 0.00 N ATOM 392 CZ ARG A 28 4.004 2.345 12.984 1.00 0.00 C ATOM 393 NH1 ARG A 28 5.114 1.669 12.656 1.00 0.00 N ATOM 394 NH2 ARG A 28 3.629 2.435 14.268 1.00 0.00 N ATOM 0 H ARG A 28 1.605 6.276 9.411 1.00 0.00 H new ATOM 0 HA ARG A 28 4.043 6.074 10.624 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.114 4.907 7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.557 4.382 8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.127 4.465 10.523 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.015 3.332 9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.449 1.882 10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.649 3.136 10.439 1.00 0.00 H new ATOM 0 HE ARG A 28 2.430 3.435 12.314 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.399 1.600 11.679 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.674 1.224 13.383 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.784 2.949 14.518 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.189 1.990 14.995 1.00 0.00 H new ATOM 405 N ASN A 29 5.966 6.727 9.015 1.00 0.00 N ATOM 406 CA ASN A 29 7.029 7.441 8.327 1.00 0.00 C ATOM 407 C ASN A 29 7.247 6.817 6.947 1.00 0.00 C ATOM 408 O ASN A 29 7.503 5.620 6.836 1.00 0.00 O ATOM 409 CB ASN A 29 8.345 7.346 9.101 1.00 0.00 C ATOM 410 CG ASN A 29 9.490 7.991 8.316 1.00 0.00 C ATOM 411 OD1 ASN A 29 10.423 7.337 7.879 1.00 0.00 O ATOM 412 ND2 ASN A 29 9.368 9.306 8.163 1.00 0.00 N ATOM 0 H ASN A 29 6.285 5.996 9.651 1.00 0.00 H new ATOM 0 HA ASN A 29 6.734 8.487 8.243 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.239 7.839 10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.579 6.300 9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.081 9.829 7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.561 9.792 8.554 1.00 0.00 H new ATOM 418 N LYS A 30 7.136 7.658 5.929 1.00 0.00 N ATOM 419 CA LYS A 30 7.317 7.206 4.561 1.00 0.00 C ATOM 420 C LYS A 30 8.673 7.689 4.043 1.00 0.00 C ATOM 421 O LYS A 30 9.639 7.768 4.800 1.00 0.00 O ATOM 422 CB LYS A 30 6.136 7.640 3.691 1.00 0.00 C ATOM 423 CG LYS A 30 6.195 9.141 3.397 1.00 0.00 C ATOM 424 CD LYS A 30 4.855 9.812 3.705 1.00 0.00 C ATOM 425 CE LYS A 30 4.692 11.104 2.901 1.00 0.00 C ATOM 426 NZ LYS A 30 3.306 11.611 3.011 1.00 0.00 N ATOM 0 H LYS A 30 6.923 8.651 6.025 1.00 0.00 H new ATOM 0 HA LYS A 30 7.329 6.117 4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.145 7.082 2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.200 7.401 4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.982 9.602 3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.454 9.300 2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.039 9.128 3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.791 10.032 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.391 11.857 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.937 10.922 1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.212 12.488 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.645 10.898 2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.085 11.804 4.009 1.00 0.00 H new ATOM 436 N HIS A 31 8.701 8.003 2.756 1.00 0.00 N ATOM 437 CA HIS A 31 9.923 8.478 2.128 1.00 0.00 C ATOM 438 C HIS A 31 10.985 7.378 2.175 1.00 0.00 C ATOM 439 O HIS A 31 11.815 7.351 3.082 1.00 0.00 O ATOM 440 CB HIS A 31 10.392 9.783 2.771 1.00 0.00 C ATOM 441 CG HIS A 31 10.037 11.020 1.980 1.00 0.00 C ATOM 442 ND1 HIS A 31 9.198 12.008 2.468 1.00 0.00 N ATOM 443 CD2 HIS A 31 10.417 11.419 0.732 1.00 0.00 C ATOM 444 CE1 HIS A 31 9.085 12.953 1.546 1.00 0.00 C ATOM 445 NE2 HIS A 31 9.840 12.586 0.471 1.00 0.00 N ATOM 0 H HIS A 31 7.898 7.938 2.131 1.00 0.00 H new ATOM 0 HA HIS A 31 9.732 8.706 1.079 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.955 9.863 3.766 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.474 9.744 2.900 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.075 10.878 0.069 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.498 13.856 1.631 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.944 13.120 -0.392 1.00 0.00 H new ATOM 452 N GLY A 32 10.925 6.499 1.187 1.00 0.00 N ATOM 453 CA GLY A 32 11.872 5.399 1.104 1.00 0.00 C ATOM 454 C GLY A 32 11.816 4.729 -0.270 1.00 0.00 C ATOM 455 O GLY A 32 11.026 5.126 -1.127 1.00 0.00 O ATOM 0 H GLY A 32 10.235 6.525 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.880 5.768 1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.651 4.665 1.879 1.00 0.00 H new ATOM 459 N ARG A 33 12.663 3.725 -0.438 1.00 0.00 N ATOM 460 CA ARG A 33 12.720 2.995 -1.694 1.00 0.00 C ATOM 461 C ARG A 33 11.488 2.102 -1.845 1.00 0.00 C ATOM 462 O ARG A 33 10.865 1.724 -0.854 1.00 0.00 O ATOM 463 CB ARG A 33 13.980 2.133 -1.773 1.00 0.00 C ATOM 464 CG ARG A 33 15.077 2.836 -2.575 1.00 0.00 C ATOM 465 CD ARG A 33 16.334 1.966 -2.667 1.00 0.00 C ATOM 466 NE ARG A 33 17.506 2.803 -3.002 1.00 0.00 N ATOM 467 CZ ARG A 33 18.756 2.333 -3.122 1.00 0.00 C ATOM 468 NH1 ARG A 33 19.001 1.029 -2.937 1.00 0.00 N ATOM 469 NH2 ARG A 33 19.758 3.167 -3.429 1.00 0.00 N ATOM 0 H ARG A 33 13.316 3.399 0.275 1.00 0.00 H new ATOM 0 HA ARG A 33 12.743 3.726 -2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.341 1.918 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.742 1.176 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.712 3.061 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.323 3.788 -2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.502 1.454 -1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.198 1.196 -3.426 1.00 0.00 H new ATOM 0 HE ARG A 33 17.354 3.801 -3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.237 0.394 -2.705 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.952 0.671 -3.028 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.570 4.159 -3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.709 2.810 -3.520 1.00 0.00 H new ATOM 480 N LYS A 34 11.171 1.791 -3.095 1.00 0.00 N ATOM 481 CA LYS A 34 10.024 0.948 -3.388 1.00 0.00 C ATOM 482 C LYS A 34 10.061 -0.288 -2.486 1.00 0.00 C ATOM 483 O LYS A 34 9.032 -0.703 -1.955 1.00 0.00 O ATOM 484 CB LYS A 34 9.969 0.620 -4.881 1.00 0.00 C ATOM 485 CG LYS A 34 8.653 -0.072 -5.242 1.00 0.00 C ATOM 486 CD LYS A 34 8.764 -1.588 -5.064 1.00 0.00 C ATOM 487 CE LYS A 34 8.449 -2.318 -6.372 1.00 0.00 C ATOM 488 NZ LYS A 34 9.026 -3.680 -6.356 1.00 0.00 N ATOM 0 H LYS A 34 11.688 2.108 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 34 9.096 1.475 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.074 1.536 -5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.807 -0.024 -5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.851 0.314 -4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.388 0.158 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.770 -1.846 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.077 -1.918 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.370 -2.375 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.851 -1.756 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.803 -4.162 -7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.058 -3.618 -6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.623 -4.219 -5.563 1.00 0.00 H new ATOM 498 N HIS A 35 11.256 -0.841 -2.342 1.00 0.00 N ATOM 499 CA HIS A 35 11.440 -2.021 -1.516 1.00 0.00 C ATOM 500 C HIS A 35 11.134 -1.677 -0.057 1.00 0.00 C ATOM 501 O HIS A 35 10.614 -2.511 0.685 1.00 0.00 O ATOM 502 CB HIS A 35 12.841 -2.605 -1.706 1.00 0.00 C ATOM 503 CG HIS A 35 12.984 -4.028 -1.222 1.00 0.00 C ATOM 504 ND1 HIS A 35 13.246 -5.086 -2.075 1.00 0.00 N ATOM 505 CD2 HIS A 35 12.901 -4.556 0.033 1.00 0.00 C ATOM 506 CE1 HIS A 35 13.314 -6.196 -1.354 1.00 0.00 C ATOM 507 NE2 HIS A 35 13.099 -5.865 -0.048 1.00 0.00 N ATOM 0 H HIS A 35 12.107 -0.493 -2.784 1.00 0.00 H new ATOM 0 HA HIS A 35 10.741 -2.799 -1.825 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.100 -2.564 -2.764 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.559 -1.978 -1.177 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.707 -4.002 0.939 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.506 -7.189 -1.734 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.092 -6.517 0.737 1.00 0.00 H new ATOM 514 N GLU A 36 11.469 -0.450 0.312 1.00 0.00 N ATOM 515 CA GLU A 36 11.236 0.014 1.669 1.00 0.00 C ATOM 516 C GLU A 36 9.739 0.218 1.911 1.00 0.00 C ATOM 517 O GLU A 36 9.196 -0.263 2.904 1.00 0.00 O ATOM 518 CB GLU A 36 12.017 1.299 1.951 1.00 0.00 C ATOM 519 CG GLU A 36 13.506 1.005 2.146 1.00 0.00 C ATOM 520 CD GLU A 36 13.946 1.327 3.575 1.00 0.00 C ATOM 521 OE1 GLU A 36 13.781 0.435 4.435 1.00 0.00 O ATOM 522 OE2 GLU A 36 14.438 2.459 3.775 1.00 0.00 O ATOM 0 H GLU A 36 11.900 0.238 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 36 11.595 -0.749 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.886 1.997 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.618 1.783 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.705 -0.044 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.092 1.593 1.440 1.00 0.00 H new ATOM 527 N LEU A 37 9.115 0.933 0.987 1.00 0.00 N ATOM 528 CA LEU A 37 7.691 1.207 1.088 1.00 0.00 C ATOM 529 C LEU A 37 6.925 -0.116 1.151 1.00 0.00 C ATOM 530 O LEU A 37 6.001 -0.265 1.949 1.00 0.00 O ATOM 531 CB LEU A 37 7.240 2.124 -0.051 1.00 0.00 C ATOM 532 CG LEU A 37 7.689 3.584 0.046 1.00 0.00 C ATOM 533 CD1 LEU A 37 6.617 4.442 0.719 1.00 0.00 C ATOM 534 CD2 LEU A 37 9.041 3.696 0.753 1.00 0.00 C ATOM 0 H LEU A 37 9.569 1.331 0.165 1.00 0.00 H new ATOM 0 HA LEU A 37 7.471 1.748 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.609 1.713 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.151 2.102 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 37 7.822 3.969 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.960 5.475 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.697 4.397 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.429 4.066 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.337 4.744 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.960 3.288 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.791 3.136 0.194 1.00 0.00 H new ATOM 545 N LEU A 38 7.338 -1.043 0.299 1.00 0.00 N ATOM 546 CA LEU A 38 6.702 -2.349 0.249 1.00 0.00 C ATOM 547 C LEU A 38 6.792 -3.009 1.627 1.00 0.00 C ATOM 548 O LEU A 38 5.793 -3.500 2.150 1.00 0.00 O ATOM 549 CB LEU A 38 7.300 -3.193 -0.878 1.00 0.00 C ATOM 550 CG LEU A 38 6.354 -3.546 -2.028 1.00 0.00 C ATOM 551 CD1 LEU A 38 5.769 -2.283 -2.663 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.052 -4.435 -3.058 1.00 0.00 C ATOM 0 H LEU A 38 8.105 -0.916 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 38 5.643 -2.248 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.156 -2.659 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.679 -4.120 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 38 5.520 -4.118 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.100 -2.561 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.212 -1.722 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.577 -1.664 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.358 -4.671 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.916 -3.910 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.380 -5.358 -2.579 1.00 0.00 H new ATOM 563 N THR A 39 7.998 -2.999 2.174 1.00 0.00 N ATOM 564 CA THR A 39 8.232 -3.590 3.480 1.00 0.00 C ATOM 565 C THR A 39 7.363 -2.908 4.539 1.00 0.00 C ATOM 566 O THR A 39 6.885 -3.556 5.468 1.00 0.00 O ATOM 567 CB THR A 39 9.729 -3.505 3.778 1.00 0.00 C ATOM 568 OG1 THR A 39 10.324 -4.373 2.817 1.00 0.00 O ATOM 569 CG2 THR A 39 10.096 -4.131 5.124 1.00 0.00 C ATOM 0 H THR A 39 8.824 -2.591 1.736 1.00 0.00 H new ATOM 0 HA THR A 39 7.942 -4.641 3.494 1.00 0.00 H new ATOM 0 HB THR A 39 10.042 -2.461 3.767 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.496 -3.876 1.990 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.170 -4.043 5.285 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.566 -3.613 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.814 -5.184 5.125 1.00 0.00 H new ATOM 577 N LYS A 40 7.183 -1.608 4.361 1.00 0.00 N ATOM 578 CA LYS A 40 6.379 -0.829 5.288 1.00 0.00 C ATOM 579 C LYS A 40 4.902 -1.187 5.102 1.00 0.00 C ATOM 580 O LYS A 40 4.174 -1.355 6.078 1.00 0.00 O ATOM 581 CB LYS A 40 6.674 0.664 5.131 1.00 0.00 C ATOM 582 CG LYS A 40 7.563 1.170 6.269 1.00 0.00 C ATOM 583 CD LYS A 40 8.518 2.258 5.776 1.00 0.00 C ATOM 584 CE LYS A 40 9.624 1.662 4.902 1.00 0.00 C ATOM 585 NZ LYS A 40 10.949 2.174 5.320 1.00 0.00 N ATOM 0 H LYS A 40 7.580 -1.074 3.588 1.00 0.00 H new ATOM 0 HA LYS A 40 6.640 -1.075 6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.165 0.843 4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.739 1.224 5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.941 1.564 7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.135 0.340 6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.963 3.004 5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.961 2.772 6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.608 0.575 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.444 1.913 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.691 1.518 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.109 3.110 4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.979 2.254 6.356 1.00 0.00 H new ATOM 595 N ALA A 41 4.507 -1.293 3.842 1.00 0.00 N ATOM 596 CA ALA A 41 3.132 -1.627 3.515 1.00 0.00 C ATOM 597 C ALA A 41 2.848 -3.070 3.940 1.00 0.00 C ATOM 598 O ALA A 41 1.821 -3.348 4.558 1.00 0.00 O ATOM 599 CB ALA A 41 2.892 -1.401 2.021 1.00 0.00 C ATOM 0 H ALA A 41 5.115 -1.153 3.035 1.00 0.00 H new ATOM 0 HA ALA A 41 2.441 -0.981 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.860 -1.652 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.079 -0.355 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.566 -2.035 1.444 1.00 0.00 H new ATOM 605 N LEU A 42 3.775 -3.949 3.591 1.00 0.00 N ATOM 606 CA LEU A 42 3.637 -5.356 3.928 1.00 0.00 C ATOM 607 C LEU A 42 3.517 -5.502 5.446 1.00 0.00 C ATOM 608 O LEU A 42 2.693 -6.275 5.935 1.00 0.00 O ATOM 609 CB LEU A 42 4.784 -6.167 3.321 1.00 0.00 C ATOM 610 CG LEU A 42 4.817 -6.243 1.793 1.00 0.00 C ATOM 611 CD1 LEU A 42 5.193 -7.648 1.322 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.491 -5.772 1.192 1.00 0.00 C ATOM 0 H LEU A 42 4.625 -3.715 3.078 1.00 0.00 H new ATOM 0 HA LEU A 42 2.724 -5.764 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.726 -5.739 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.733 -7.182 3.714 1.00 0.00 H new ATOM 0 HG LEU A 42 5.592 -5.566 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.209 -7.674 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.179 -7.909 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.459 -8.364 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.541 -5.836 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.681 -6.405 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.305 -4.739 1.486 1.00 0.00 H new ATOM 623 N HIS A 43 4.349 -4.749 6.149 1.00 0.00 N ATOM 624 CA HIS A 43 4.346 -4.785 7.602 1.00 0.00 C ATOM 625 C HIS A 43 3.062 -4.143 8.128 1.00 0.00 C ATOM 626 O HIS A 43 2.581 -4.498 9.203 1.00 0.00 O ATOM 627 CB HIS A 43 5.610 -4.132 8.165 1.00 0.00 C ATOM 628 CG HIS A 43 5.920 -4.522 9.590 1.00 0.00 C ATOM 629 ND1 HIS A 43 5.710 -3.674 10.662 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.426 -5.679 10.107 1.00 0.00 C ATOM 631 CE1 HIS A 43 6.077 -4.300 11.771 1.00 0.00 C ATOM 632 NE2 HIS A 43 6.521 -5.542 11.424 1.00 0.00 N ATOM 0 H HIS A 43 5.030 -4.110 5.740 1.00 0.00 H new ATOM 0 HA HIS A 43 4.360 -5.820 7.944 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.457 -4.400 7.533 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.502 -3.049 8.111 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.702 -6.557 9.541 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.032 -3.898 12.772 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.869 -6.250 12.071 1.00 0.00 H new ATOM 639 N LEU A 44 2.543 -3.207 7.346 1.00 0.00 N ATOM 640 CA LEU A 44 1.323 -2.511 7.721 1.00 0.00 C ATOM 641 C LEU A 44 0.167 -3.512 7.779 1.00 0.00 C ATOM 642 O LEU A 44 -0.663 -3.455 8.687 1.00 0.00 O ATOM 643 CB LEU A 44 1.068 -1.333 6.778 1.00 0.00 C ATOM 644 CG LEU A 44 1.392 0.055 7.336 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.827 1.154 6.436 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.907 0.191 8.782 1.00 0.00 C ATOM 0 H LEU A 44 2.945 -2.915 6.455 1.00 0.00 H new ATOM 0 HA LEU A 44 1.422 -2.079 8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.655 -1.485 5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.018 -1.349 6.484 1.00 0.00 H new ATOM 0 HG LEU A 44 2.475 0.175 7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.072 2.130 6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.262 1.068 5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.256 1.049 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.149 1.186 9.155 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.172 0.042 8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.398 -0.559 9.403 1.00 0.00 H new ATOM 657 N LEU A 45 0.149 -4.405 6.802 1.00 0.00 N ATOM 658 CA LEU A 45 -0.891 -5.417 6.731 1.00 0.00 C ATOM 659 C LEU A 45 -0.764 -6.357 7.931 1.00 0.00 C ATOM 660 O LEU A 45 -1.757 -6.675 8.584 1.00 0.00 O ATOM 661 CB LEU A 45 -0.849 -6.136 5.381 1.00 0.00 C ATOM 662 CG LEU A 45 -1.095 -5.263 4.149 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.159 -5.654 3.003 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.565 -5.308 3.729 1.00 0.00 C ATOM 0 H LEU A 45 0.839 -4.449 6.052 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.876 -4.954 6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.126 -6.612 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.593 -6.932 5.392 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.867 -4.230 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.355 -5.018 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.876 -5.527 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.331 -6.696 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.712 -4.679 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.844 -6.334 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.188 -4.943 4.545 1.00 0.00 H new ATOM 675 N LYS A 46 0.466 -6.776 8.187 1.00 0.00 N ATOM 676 CA LYS A 46 0.736 -7.673 9.298 1.00 0.00 C ATOM 677 C LYS A 46 0.567 -6.913 10.615 1.00 0.00 C ATOM 678 O LYS A 46 0.268 -7.512 11.647 1.00 0.00 O ATOM 679 CB LYS A 46 2.110 -8.328 9.138 1.00 0.00 C ATOM 680 CG LYS A 46 2.012 -9.618 8.322 1.00 0.00 C ATOM 681 CD LYS A 46 3.397 -10.225 8.087 1.00 0.00 C ATOM 682 CE LYS A 46 3.847 -10.018 6.640 1.00 0.00 C ATOM 683 NZ LYS A 46 4.526 -8.712 6.489 1.00 0.00 N ATOM 0 H LYS A 46 1.288 -6.511 7.644 1.00 0.00 H new ATOM 0 HA LYS A 46 0.017 -8.493 9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.792 -7.634 8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.529 -8.546 10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.380 -10.336 8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.534 -9.411 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.118 -9.768 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.375 -11.290 8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.522 -10.821 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.985 -10.065 5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.175 -8.750 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.817 -7.968 6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.064 -8.499 7.353 1.00 0.00 H new ATOM 693 N ALA A 47 0.765 -5.606 10.536 1.00 0.00 N ATOM 694 CA ALA A 47 0.637 -4.757 11.709 1.00 0.00 C ATOM 695 C ALA A 47 -0.840 -4.437 11.944 1.00 0.00 C ATOM 696 O ALA A 47 -1.198 -3.848 12.962 1.00 0.00 O ATOM 697 CB ALA A 47 1.484 -3.497 11.522 1.00 0.00 C ATOM 0 H ALA A 47 1.013 -5.113 9.678 1.00 0.00 H new ATOM 0 HA ALA A 47 1.008 -5.270 12.596 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.388 -2.860 12.401 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.529 -3.777 11.389 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.139 -2.954 10.642 1.00 0.00 H new ATOM 703 N GLY A 48 -1.661 -4.841 10.984 1.00 0.00 N ATOM 704 CA GLY A 48 -3.091 -4.605 11.073 1.00 0.00 C ATOM 705 C GLY A 48 -3.507 -3.423 10.195 1.00 0.00 C ATOM 706 O GLY A 48 -4.065 -3.615 9.115 1.00 0.00 O ATOM 0 H GLY A 48 -1.362 -5.330 10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.631 -5.500 10.764 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.367 -4.408 12.109 1.00 0.00 H new ATOM 710 N CYS A 49 -3.221 -2.229 10.690 1.00 0.00 N ATOM 711 CA CYS A 49 -3.559 -1.016 9.964 1.00 0.00 C ATOM 712 C CYS A 49 -5.081 -0.954 9.816 1.00 0.00 C ATOM 713 O CYS A 49 -5.737 -1.983 9.666 1.00 0.00 O ATOM 714 CB CYS A 49 -2.852 -0.954 8.609 1.00 0.00 C ATOM 715 SG CYS A 49 -2.890 0.758 7.962 1.00 0.00 S ATOM 0 H CYS A 49 -2.759 -2.075 11.586 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.213 -0.146 10.522 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.820 -1.290 8.712 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.338 -1.629 7.904 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.839 1.401 8.375 1.00 0.00 H new ATOM 720 N SER A 50 -5.598 0.265 9.863 1.00 0.00 N ATOM 721 CA SER A 50 -7.031 0.477 9.736 1.00 0.00 C ATOM 722 C SER A 50 -7.510 0.001 8.363 1.00 0.00 C ATOM 723 O SER A 50 -6.706 -0.183 7.450 1.00 0.00 O ATOM 724 CB SER A 50 -7.391 1.949 9.945 1.00 0.00 C ATOM 725 OG SER A 50 -8.191 2.143 11.107 1.00 0.00 O ATOM 0 H SER A 50 -5.050 1.117 9.987 1.00 0.00 H new ATOM 0 HA SER A 50 -7.533 -0.104 10.510 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.477 2.537 10.032 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.926 2.319 9.071 1.00 0.00 H new ATOM 0 HG SER A 50 -8.398 3.096 11.206 1.00 0.00 H new ATOM 730 N PRO A 51 -8.852 -0.189 8.257 1.00 0.00 N ATOM 731 CA PRO A 51 -9.448 -0.640 7.011 1.00 0.00 C ATOM 732 C PRO A 51 -9.493 0.494 5.984 1.00 0.00 C ATOM 733 O PRO A 51 -9.718 0.254 4.798 1.00 0.00 O ATOM 734 CB PRO A 51 -10.828 -1.148 7.396 1.00 0.00 C ATOM 735 CG PRO A 51 -11.132 -0.539 8.755 1.00 0.00 C ATOM 736 CD PRO A 51 -9.835 0.019 9.317 1.00 0.00 C ATOM 0 HA PRO A 51 -8.869 -1.427 6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.574 -0.850 6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.844 -2.237 7.443 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.878 0.250 8.661 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.546 -1.291 9.426 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.933 1.076 9.564 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.546 -0.497 10.232 1.00 0.00 H new ATOM 741 N ALA A 52 -9.276 1.705 6.476 1.00 0.00 N ATOM 742 CA ALA A 52 -9.289 2.876 5.616 1.00 0.00 C ATOM 743 C ALA A 52 -8.120 2.793 4.632 1.00 0.00 C ATOM 744 O ALA A 52 -8.264 3.141 3.461 1.00 0.00 O ATOM 745 CB ALA A 52 -9.239 4.141 6.475 1.00 0.00 C ATOM 0 H ALA A 52 -9.090 1.900 7.460 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.209 2.914 5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.249 5.020 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.105 4.167 7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.327 4.139 7.072 1.00 0.00 H new ATOM 751 N VAL A 53 -6.989 2.331 5.144 1.00 0.00 N ATOM 752 CA VAL A 53 -5.796 2.197 4.324 1.00 0.00 C ATOM 753 C VAL A 53 -5.993 1.055 3.325 1.00 0.00 C ATOM 754 O VAL A 53 -5.593 1.163 2.167 1.00 0.00 O ATOM 755 CB VAL A 53 -4.567 2.007 5.216 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.313 1.758 4.375 1.00 0.00 C ATOM 757 CG2 VAL A 53 -4.375 3.205 6.147 1.00 0.00 C ATOM 0 H VAL A 53 -6.873 2.045 6.116 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.625 3.106 3.747 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.735 1.126 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.454 1.626 5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.451 0.859 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.140 2.611 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.495 3.044 6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.239 4.109 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.254 3.317 6.782 1.00 0.00 H new ATOM 767 N GLN A 54 -6.610 -0.013 3.810 1.00 0.00 N ATOM 768 CA GLN A 54 -6.864 -1.173 2.975 1.00 0.00 C ATOM 769 C GLN A 54 -7.749 -0.788 1.787 1.00 0.00 C ATOM 770 O GLN A 54 -7.587 -1.321 0.690 1.00 0.00 O ATOM 771 CB GLN A 54 -7.498 -2.305 3.787 1.00 0.00 C ATOM 772 CG GLN A 54 -6.557 -2.776 4.897 1.00 0.00 C ATOM 773 CD GLN A 54 -6.893 -4.205 5.331 1.00 0.00 C ATOM 774 OE1 GLN A 54 -6.066 -5.101 5.302 1.00 0.00 O ATOM 775 NE2 GLN A 54 -8.151 -4.366 5.732 1.00 0.00 N ATOM 0 H GLN A 54 -6.941 -0.098 4.771 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.911 -1.536 2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.437 -1.964 4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.737 -3.140 3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.525 -2.731 4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.633 -2.105 5.752 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.792 -3.573 5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.475 -5.283 6.040 1.00 0.00 H new ATOM 782 N MET A 55 -8.665 0.134 2.046 1.00 0.00 N ATOM 783 CA MET A 55 -9.575 0.595 1.012 1.00 0.00 C ATOM 784 C MET A 55 -8.852 1.493 0.006 1.00 0.00 C ATOM 785 O MET A 55 -9.133 1.444 -1.189 1.00 0.00 O ATOM 786 CB MET A 55 -10.726 1.372 1.656 1.00 0.00 C ATOM 787 CG MET A 55 -11.590 0.455 2.524 1.00 0.00 C ATOM 788 SD MET A 55 -12.873 -0.292 1.533 1.00 0.00 S ATOM 789 CE MET A 55 -14.270 0.694 2.041 1.00 0.00 C ATOM 0 H MET A 55 -8.796 0.574 2.957 1.00 0.00 H new ATOM 0 HA MET A 55 -9.963 -0.274 0.481 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.326 2.183 2.264 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.340 1.828 0.880 1.00 0.00 H new ATOM 0 HG2 MET A 55 -10.971 -0.320 2.977 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.035 1.025 3.340 1.00 0.00 H new ATOM 0 HE1 MET A 55 -15.163 0.358 1.514 1.00 0.00 H new ATOM 0 HE2 MET A 55 -14.420 0.586 3.115 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.081 1.741 1.805 1.00 0.00 H new ATOM 797 N LYS A 56 -7.934 2.293 0.529 1.00 0.00 N ATOM 798 CA LYS A 56 -7.168 3.199 -0.309 1.00 0.00 C ATOM 799 C LYS A 56 -6.311 2.388 -1.282 1.00 0.00 C ATOM 800 O LYS A 56 -5.993 2.857 -2.375 1.00 0.00 O ATOM 801 CB LYS A 56 -6.364 4.175 0.553 1.00 0.00 C ATOM 802 CG LYS A 56 -5.918 5.390 -0.263 1.00 0.00 C ATOM 803 CD LYS A 56 -7.071 6.378 -0.448 1.00 0.00 C ATOM 804 CE LYS A 56 -7.253 7.249 0.796 1.00 0.00 C ATOM 805 NZ LYS A 56 -6.753 8.619 0.547 1.00 0.00 N ATOM 0 H LYS A 56 -7.704 2.332 1.522 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.835 3.816 -0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.969 4.503 1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.491 3.668 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.087 5.885 0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.553 5.064 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.877 7.011 -1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.992 5.833 -0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.307 7.285 1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.719 6.808 1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.884 9.197 1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.742 8.581 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.281 9.043 -0.242 1.00 0.00 H new ATOM 815 N ILE A 57 -5.961 1.185 -0.851 1.00 0.00 N ATOM 816 CA ILE A 57 -5.147 0.304 -1.671 1.00 0.00 C ATOM 817 C ILE A 57 -5.910 -0.045 -2.951 1.00 0.00 C ATOM 818 O ILE A 57 -5.314 -0.163 -4.021 1.00 0.00 O ATOM 819 CB ILE A 57 -4.705 -0.920 -0.866 1.00 0.00 C ATOM 820 CG1 ILE A 57 -3.692 -0.530 0.212 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.168 -2.017 -1.786 1.00 0.00 C ATOM 822 CD1 ILE A 57 -3.389 -1.714 1.133 1.00 0.00 C ATOM 0 H ILE A 57 -6.226 0.800 0.055 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.229 0.807 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.578 -1.327 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.771 -0.185 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.082 0.302 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.861 -2.875 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.948 -2.321 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.311 -1.638 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.666 -1.410 1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.308 -2.041 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.977 -2.535 0.546 1.00 0.00 H new ATOM 833 N LYS A 58 -7.218 -0.199 -2.799 1.00 0.00 N ATOM 834 CA LYS A 58 -8.068 -0.532 -3.928 1.00 0.00 C ATOM 835 C LYS A 58 -8.155 0.673 -4.867 1.00 0.00 C ATOM 836 O LYS A 58 -8.166 0.514 -6.087 1.00 0.00 O ATOM 837 CB LYS A 58 -9.430 -1.034 -3.444 1.00 0.00 C ATOM 838 CG LYS A 58 -9.372 -2.521 -3.090 1.00 0.00 C ATOM 839 CD LYS A 58 -10.193 -2.818 -1.833 1.00 0.00 C ATOM 840 CE LYS A 58 -11.611 -3.262 -2.197 1.00 0.00 C ATOM 841 NZ LYS A 58 -12.596 -2.232 -1.795 1.00 0.00 N ATOM 0 H LYS A 58 -7.709 -0.099 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.637 -1.353 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.744 -0.461 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.178 -0.870 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.751 -3.112 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.336 -2.821 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.703 -3.597 -1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.237 -1.929 -1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.679 -3.439 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.841 -4.206 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.553 -2.549 -2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.542 -2.083 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.385 -1.340 -2.286 1.00 0.00 H new ATOM 851 N GLU A 59 -8.215 1.850 -4.264 1.00 0.00 N ATOM 852 CA GLU A 59 -8.301 3.081 -5.031 1.00 0.00 C ATOM 853 C GLU A 59 -6.984 3.342 -5.765 1.00 0.00 C ATOM 854 O GLU A 59 -6.980 3.607 -6.966 1.00 0.00 O ATOM 855 CB GLU A 59 -8.670 4.263 -4.132 1.00 0.00 C ATOM 856 CG GLU A 59 -9.893 3.935 -3.272 1.00 0.00 C ATOM 857 CD GLU A 59 -11.042 4.905 -3.560 1.00 0.00 C ATOM 858 OE1 GLU A 59 -11.522 4.890 -4.713 1.00 0.00 O ATOM 859 OE2 GLU A 59 -11.412 5.640 -2.619 1.00 0.00 O ATOM 0 H GLU A 59 -8.206 1.978 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.092 2.969 -5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.826 4.514 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.876 5.141 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.217 2.913 -3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.625 3.987 -2.217 1.00 0.00 H new ATOM 864 N LEU A 60 -5.897 3.258 -5.011 1.00 0.00 N ATOM 865 CA LEU A 60 -4.576 3.481 -5.575 1.00 0.00 C ATOM 866 C LEU A 60 -4.312 2.445 -6.669 1.00 0.00 C ATOM 867 O LEU A 60 -3.891 2.795 -7.771 1.00 0.00 O ATOM 868 CB LEU A 60 -3.517 3.494 -4.471 1.00 0.00 C ATOM 869 CG LEU A 60 -3.564 4.683 -3.510 1.00 0.00 C ATOM 870 CD1 LEU A 60 -3.115 4.272 -2.107 1.00 0.00 C ATOM 871 CD2 LEU A 60 -2.747 5.858 -4.052 1.00 0.00 C ATOM 0 H LEU A 60 -5.904 3.039 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.523 4.463 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.616 2.578 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.533 3.469 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.598 5.018 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.158 5.136 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.774 3.491 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.093 3.896 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.797 6.690 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.709 5.552 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.153 6.170 -5.014 1.00 0.00 H new ATOM 882 N TYR A 61 -4.569 1.191 -6.328 1.00 0.00 N ATOM 883 CA TYR A 61 -4.364 0.102 -7.267 1.00 0.00 C ATOM 884 C TYR A 61 -5.257 0.266 -8.499 1.00 0.00 C ATOM 885 O TYR A 61 -4.801 0.088 -9.629 1.00 0.00 O ATOM 886 CB TYR A 61 -4.765 -1.175 -6.527 1.00 0.00 C ATOM 887 CG TYR A 61 -4.836 -2.416 -7.419 1.00 0.00 C ATOM 888 CD1 TYR A 61 -3.737 -2.793 -8.164 1.00 0.00 C ATOM 889 CD2 TYR A 61 -5.998 -3.158 -7.479 1.00 0.00 C ATOM 890 CE1 TYR A 61 -3.803 -3.960 -9.005 1.00 0.00 C ATOM 891 CE2 TYR A 61 -6.064 -4.325 -8.320 1.00 0.00 C ATOM 892 CZ TYR A 61 -4.964 -4.669 -9.041 1.00 0.00 C ATOM 893 OH TYR A 61 -5.026 -5.772 -9.834 1.00 0.00 O ATOM 0 H TYR A 61 -4.918 0.905 -5.413 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.329 0.079 -7.608 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.050 -1.357 -5.725 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.737 -1.021 -6.059 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.827 -2.213 -8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.858 -2.864 -6.895 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.951 -4.266 -9.594 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.967 -4.914 -8.377 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.914 -6.179 -9.759 1.00 0.00 H new ATOM 902 N ARG A 62 -6.511 0.601 -8.241 1.00 0.00 N ATOM 903 CA ARG A 62 -7.472 0.790 -9.314 1.00 0.00 C ATOM 904 C ARG A 62 -6.963 1.840 -10.303 1.00 0.00 C ATOM 905 O ARG A 62 -6.835 1.565 -11.496 1.00 0.00 O ATOM 906 CB ARG A 62 -8.831 1.233 -8.767 1.00 0.00 C ATOM 907 CG ARG A 62 -9.752 0.030 -8.548 1.00 0.00 C ATOM 908 CD ARG A 62 -11.187 0.355 -8.964 1.00 0.00 C ATOM 909 NE ARG A 62 -11.463 -0.196 -10.309 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.686 -0.297 -10.845 1.00 0.00 C ATOM 911 NH1 ARG A 62 -13.756 0.118 -10.153 1.00 0.00 N ATOM 912 NH2 ARG A 62 -12.841 -0.812 -12.072 1.00 0.00 N ATOM 0 H ARG A 62 -6.885 0.747 -7.303 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.592 -0.167 -9.822 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.692 1.766 -7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.297 1.931 -9.463 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.387 -0.821 -9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.731 -0.262 -7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.887 -0.063 -8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.338 1.435 -8.967 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.671 -0.520 -10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.638 0.510 -9.219 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.688 0.041 -10.560 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.027 -1.128 -12.599 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.773 -0.888 -12.479 1.00 0.00 H new ATOM 923 N ARG A 63 -6.685 3.022 -9.772 1.00 0.00 N ATOM 924 CA ARG A 63 -6.193 4.114 -10.594 1.00 0.00 C ATOM 925 C ARG A 63 -5.195 3.592 -11.629 1.00 0.00 C ATOM 926 O ARG A 63 -5.164 4.069 -12.763 1.00 0.00 O ATOM 927 CB ARG A 63 -5.514 5.185 -9.737 1.00 0.00 C ATOM 928 CG ARG A 63 -6.551 6.062 -9.032 1.00 0.00 C ATOM 929 CD ARG A 63 -5.929 6.802 -7.846 1.00 0.00 C ATOM 930 NE ARG A 63 -6.457 8.183 -7.778 1.00 0.00 N ATOM 931 CZ ARG A 63 -6.215 9.125 -8.699 1.00 0.00 C ATOM 932 NH1 ARG A 63 -5.455 8.842 -9.765 1.00 0.00 N ATOM 933 NH2 ARG A 63 -6.736 10.352 -8.555 1.00 0.00 N ATOM 0 H ARG A 63 -6.791 3.247 -8.783 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.049 4.558 -11.102 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.871 4.709 -8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.874 5.805 -10.364 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.964 6.782 -9.738 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.380 5.444 -8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.151 6.273 -6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.844 6.823 -7.948 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.041 8.433 -6.980 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.060 7.908 -9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.271 9.560 -10.466 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.316 10.568 -7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.552 11.070 -9.256 1.00 0.00 H new ATOM 944 N ARG A 64 -4.404 2.619 -11.203 1.00 0.00 N ATOM 945 CA ARG A 64 -3.408 2.026 -12.079 1.00 0.00 C ATOM 946 C ARG A 64 -4.070 1.043 -13.048 1.00 0.00 C ATOM 947 O ARG A 64 -3.757 1.032 -14.237 1.00 0.00 O ATOM 948 CB ARG A 64 -2.333 1.292 -11.275 1.00 0.00 C ATOM 949 CG ARG A 64 -1.156 2.219 -10.961 1.00 0.00 C ATOM 950 CD ARG A 64 0.134 1.419 -10.763 1.00 0.00 C ATOM 951 NE ARG A 64 1.100 1.745 -11.834 1.00 0.00 N ATOM 952 CZ ARG A 64 1.565 2.978 -12.076 1.00 0.00 C ATOM 953 NH1 ARG A 64 1.155 4.009 -11.325 1.00 0.00 N ATOM 954 NH2 ARG A 64 2.442 3.181 -13.070 1.00 0.00 N ATOM 0 H ARG A 64 -4.432 2.226 -10.262 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.938 2.834 -12.640 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.762 0.915 -10.346 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.980 0.427 -11.837 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.024 2.933 -11.774 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.372 2.796 -10.062 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.567 1.647 -9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.085 0.351 -10.772 1.00 0.00 H new ATOM 0 HE ARG A 64 1.433 0.984 -12.425 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.488 3.856 -10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.510 4.947 -11.510 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.755 2.397 -13.642 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.796 4.120 -13.254 1.00 0.00 H new ATOM 965 N PHE A 65 -4.973 0.242 -12.501 1.00 0.00 N ATOM 966 CA PHE A 65 -5.682 -0.743 -13.302 1.00 0.00 C ATOM 967 C PHE A 65 -4.765 -1.344 -14.369 1.00 0.00 C ATOM 968 O PHE A 65 -5.090 -2.371 -14.963 1.00 0.00 O ATOM 969 CB PHE A 65 -6.836 -0.011 -13.992 1.00 0.00 C ATOM 970 CG PHE A 65 -6.405 1.232 -14.774 1.00 0.00 C ATOM 971 CD1 PHE A 65 -5.704 1.097 -15.932 1.00 0.00 C ATOM 972 CD2 PHE A 65 -6.724 2.470 -14.313 1.00 0.00 C ATOM 973 CE1 PHE A 65 -5.305 2.250 -16.658 1.00 0.00 C ATOM 974 CE2 PHE A 65 -6.325 3.623 -15.039 1.00 0.00 C ATOM 975 CZ PHE A 65 -5.624 3.488 -16.196 1.00 0.00 C ATOM 0 H PHE A 65 -5.230 0.255 -11.514 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.036 -1.555 -12.666 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.335 -0.701 -14.672 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.569 0.281 -13.240 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.451 0.113 -16.299 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.281 2.577 -13.394 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.748 2.144 -17.577 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.578 4.607 -14.672 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.320 4.365 -16.748 1.00 0.00 H new TER 984 PHE A 65