USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=23 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 HD1:sc= -0.642 X(o=-0.64,f=-0.38) USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -151:sc= 1 (180deg=0) USER MOD Set 2.2: A 22 GLN : amide:sc= -1.35 K(o=-0.35,f=-7!) USER MOD Set 3.1: A 16 TYR OH : rot -28:sc= -0.373! USER MOD Set 3.2: A 45 TYR OH : rot 110:sc= 1.03 USER MOD Single : A 1 GLU N :NH3+ -162:sc= 0.71 (180deg=-0.101!) USER MOD Single : A 3 MET CE :methyl -165:sc= -0.0322 (180deg=-0.343) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -117:sc= 1.23 USER MOD Single : A 10 THR OG1 : rot 87:sc= 0.847 USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.031) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0495) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 15:sc= 0.479 USER MOD Single : A 28 SER OG : rot 180:sc= -1.39 USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= 1.16 (180deg=0.385) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -100:sc= 0.0495 USER MOD Single : A 41 TYR OH : rot 103:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.68! C(o=-2.7!,f=-11!) USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= 1.3 (180deg=1.12) USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= -0.0139 (180deg=-0.138) USER MOD Single : A 71 HIS : no HE2:sc= 0.892 K(o=0.89,f=-5.2!) USER MOD Single : A 72 HIS : no HE2:sc= 0.915 K(o=0.92,f=-5.6!) USER MOD Single : A 73 HIS : no HD1:sc= -0.039 X(o=-0.039,f=-0.041) 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 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0.652 K(o=0.65,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.545 -10.543 -16.886 1.00 0.00 N ATOM 2 CA GLU A 1 2.687 -9.837 -15.618 1.00 0.00 C ATOM 3 C GLU A 1 3.799 -10.461 -14.792 1.00 0.00 C ATOM 4 O GLU A 1 3.585 -11.446 -14.083 1.00 0.00 O ATOM 5 CB GLU A 1 1.360 -9.811 -14.801 1.00 0.00 C ATOM 6 CG GLU A 1 0.216 -8.969 -15.396 1.00 0.00 C ATOM 7 CD GLU A 1 -0.262 -9.460 -16.738 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.421 -9.198 -17.737 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.289 -10.143 -16.810 1.00 0.00 O ATOM 0 H1 GLU A 1 2.018 -9.949 -17.557 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.487 -10.752 -17.274 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.029 -11.433 -16.732 1.00 0.00 H new ATOM 0 HA GLU A 1 2.942 -8.803 -15.851 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.008 -10.836 -14.686 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.579 -9.435 -13.802 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.623 -8.968 -14.700 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.550 -7.936 -15.495 1.00 0.00 H new ATOM 18 N ASP A 2 4.995 -9.939 -14.929 1.00 0.00 N ATOM 19 CA ASP A 2 6.122 -10.423 -14.149 1.00 0.00 C ATOM 20 C ASP A 2 6.267 -9.558 -12.920 1.00 0.00 C ATOM 21 O ASP A 2 6.042 -10.018 -11.794 1.00 0.00 O ATOM 22 CB ASP A 2 7.408 -10.397 -14.977 1.00 0.00 C ATOM 23 CG ASP A 2 8.620 -10.912 -14.223 1.00 0.00 C ATOM 24 OD1 ASP A 2 8.877 -12.146 -14.245 1.00 0.00 O ATOM 25 OD2 ASP A 2 9.347 -10.107 -13.622 1.00 0.00 O ATOM 0 H ASP A 2 5.218 -9.179 -15.572 1.00 0.00 H new ATOM 0 HA ASP A 2 5.941 -11.456 -13.853 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.265 -10.998 -15.875 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.600 -9.375 -15.304 1.00 0.00 H new ATOM 30 N MET A 3 6.591 -8.302 -13.167 1.00 0.00 N ATOM 31 CA MET A 3 6.740 -7.246 -12.174 1.00 0.00 C ATOM 32 C MET A 3 7.344 -6.027 -12.849 1.00 0.00 C ATOM 33 O MET A 3 8.535 -6.024 -13.166 1.00 0.00 O ATOM 34 CB MET A 3 7.645 -7.648 -10.976 1.00 0.00 C ATOM 35 CG MET A 3 7.851 -6.512 -9.964 1.00 0.00 C ATOM 36 SD MET A 3 8.882 -6.954 -8.545 1.00 0.00 S ATOM 37 CE MET A 3 7.871 -8.212 -7.762 1.00 0.00 C ATOM 0 H MET A 3 6.767 -7.970 -14.115 1.00 0.00 H new ATOM 0 HA MET A 3 5.747 -7.042 -11.772 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.203 -8.504 -10.466 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.616 -7.969 -11.354 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.304 -5.663 -10.476 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.877 -6.183 -9.602 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.232 -8.390 -6.749 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.835 -7.875 -7.724 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.931 -9.136 -8.336 1.00 0.00 H new ATOM 47 N GLU A 4 6.528 -5.043 -13.148 1.00 0.00 N ATOM 48 CA GLU A 4 7.051 -3.792 -13.652 1.00 0.00 C ATOM 49 C GLU A 4 7.547 -2.995 -12.464 1.00 0.00 C ATOM 50 O GLU A 4 6.740 -2.659 -11.602 1.00 0.00 O ATOM 51 CB GLU A 4 5.994 -2.999 -14.425 1.00 0.00 C ATOM 52 CG GLU A 4 5.598 -3.625 -15.747 1.00 0.00 C ATOM 53 CD GLU A 4 4.625 -2.773 -16.512 1.00 0.00 C ATOM 54 OE1 GLU A 4 4.977 -1.630 -16.875 1.00 0.00 O ATOM 55 OE2 GLU A 4 3.478 -3.220 -16.759 1.00 0.00 O ATOM 0 H GLU A 4 5.513 -5.081 -13.053 1.00 0.00 H new ATOM 0 HA GLU A 4 7.860 -3.993 -14.354 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.105 -2.896 -13.803 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.372 -1.993 -14.610 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.490 -3.786 -16.352 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.155 -4.604 -15.565 1.00 0.00 H new ATOM 62 N PRO A 5 8.879 -2.707 -12.389 1.00 0.00 N ATOM 63 CA PRO A 5 9.557 -2.031 -11.225 1.00 0.00 C ATOM 64 C PRO A 5 9.027 -0.625 -10.817 1.00 0.00 C ATOM 65 O PRO A 5 9.738 0.150 -10.174 1.00 0.00 O ATOM 66 CB PRO A 5 11.016 -1.918 -11.688 1.00 0.00 C ATOM 67 CG PRO A 5 11.176 -2.995 -12.693 1.00 0.00 C ATOM 68 CD PRO A 5 9.875 -3.057 -13.429 1.00 0.00 C ATOM 0 HA PRO A 5 9.379 -2.617 -10.324 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.219 -0.939 -12.121 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.707 -2.048 -10.855 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.000 -2.778 -13.372 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.401 -3.948 -12.214 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.850 -2.355 -14.262 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.693 -4.049 -13.842 1.00 0.00 H new ATOM 76 N CYS A 6 7.805 -0.319 -11.135 1.00 0.00 N ATOM 77 CA CYS A 6 7.215 0.906 -10.714 1.00 0.00 C ATOM 78 C CYS A 6 6.517 0.676 -9.386 1.00 0.00 C ATOM 79 O CYS A 6 5.327 0.372 -9.351 1.00 0.00 O ATOM 80 CB CYS A 6 6.215 1.434 -11.743 1.00 0.00 C ATOM 81 SG CYS A 6 6.899 1.628 -13.404 1.00 0.00 S ATOM 0 H CYS A 6 7.193 -0.914 -11.693 1.00 0.00 H new ATOM 0 HA CYS A 6 8.000 1.655 -10.609 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.364 0.754 -11.789 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.835 2.397 -11.403 1.00 0.00 H new ATOM 0 HG CYS A 6 5.977 2.077 -14.203 1.00 0.00 H new ATOM 87 N LEU A 7 7.316 0.654 -8.317 1.00 0.00 N ATOM 88 CA LEU A 7 6.828 0.588 -6.924 1.00 0.00 C ATOM 89 C LEU A 7 6.223 -0.777 -6.520 1.00 0.00 C ATOM 90 O LEU A 7 5.922 -0.993 -5.347 1.00 0.00 O ATOM 91 CB LEU A 7 5.827 1.728 -6.669 1.00 0.00 C ATOM 92 CG LEU A 7 6.378 3.135 -6.912 1.00 0.00 C ATOM 93 CD1 LEU A 7 5.252 4.141 -7.018 1.00 0.00 C ATOM 94 CD2 LEU A 7 7.343 3.533 -5.802 1.00 0.00 C ATOM 0 H LEU A 7 8.333 0.682 -8.388 1.00 0.00 H new ATOM 0 HA LEU A 7 7.705 0.707 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.957 1.578 -7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.479 1.663 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 7 6.922 3.128 -7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.667 5.134 -7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.600 3.871 -7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.678 4.144 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.724 4.536 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.822 3.519 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.175 2.829 -5.773 1.00 0.00 H new ATOM 106 N THR A 8 6.096 -1.694 -7.449 1.00 0.00 N ATOM 107 CA THR A 8 5.493 -2.985 -7.179 1.00 0.00 C ATOM 108 C THR A 8 6.351 -3.823 -6.221 1.00 0.00 C ATOM 109 O THR A 8 7.584 -3.859 -6.329 1.00 0.00 O ATOM 110 CB THR A 8 5.238 -3.750 -8.485 1.00 0.00 C ATOM 111 OG1 THR A 8 6.438 -3.763 -9.261 1.00 0.00 O ATOM 112 CG2 THR A 8 4.114 -3.102 -9.281 1.00 0.00 C ATOM 0 H THR A 8 6.406 -1.570 -8.413 1.00 0.00 H new ATOM 0 HA THR A 8 4.536 -2.803 -6.690 1.00 0.00 H new ATOM 0 HB THR A 8 4.940 -4.771 -8.245 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.290 -3.280 -10.101 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.951 -3.661 -10.202 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.199 -3.105 -8.688 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.385 -2.075 -9.523 1.00 0.00 H new ATOM 120 N GLY A 9 5.709 -4.433 -5.254 1.00 0.00 N ATOM 121 CA GLY A 9 6.412 -5.237 -4.286 1.00 0.00 C ATOM 122 C GLY A 9 6.818 -4.437 -3.064 1.00 0.00 C ATOM 123 O GLY A 9 7.219 -5.003 -2.047 1.00 0.00 O ATOM 0 H GLY A 9 4.699 -4.387 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.779 -6.070 -3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.301 -5.666 -4.749 1.00 0.00 H new ATOM 127 N THR A 10 6.720 -3.126 -3.163 1.00 0.00 N ATOM 128 CA THR A 10 7.055 -2.260 -2.063 1.00 0.00 C ATOM 129 C THR A 10 6.011 -2.407 -0.984 1.00 0.00 C ATOM 130 O THR A 10 4.804 -2.276 -1.249 1.00 0.00 O ATOM 131 CB THR A 10 7.098 -0.799 -2.521 1.00 0.00 C ATOM 132 OG1 THR A 10 7.983 -0.680 -3.646 1.00 0.00 O ATOM 133 CG2 THR A 10 7.561 0.140 -1.408 1.00 0.00 C ATOM 0 H THR A 10 6.408 -2.639 -4.003 1.00 0.00 H new ATOM 0 HA THR A 10 8.037 -2.539 -1.682 1.00 0.00 H new ATOM 0 HB THR A 10 6.085 -0.507 -2.799 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.487 -0.858 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.576 1.165 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.875 0.070 -0.564 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.563 -0.144 -1.086 1.00 0.00 H new ATOM 141 N LYS A 11 6.457 -2.708 0.190 1.00 0.00 N ATOM 142 CA LYS A 11 5.581 -2.847 1.303 1.00 0.00 C ATOM 143 C LYS A 11 5.319 -1.480 1.861 1.00 0.00 C ATOM 144 O LYS A 11 6.253 -0.735 2.167 1.00 0.00 O ATOM 145 CB LYS A 11 6.151 -3.796 2.356 1.00 0.00 C ATOM 146 CG LYS A 11 6.397 -5.202 1.826 1.00 0.00 C ATOM 147 CD LYS A 11 6.843 -6.142 2.922 1.00 0.00 C ATOM 148 CE LYS A 11 7.002 -7.571 2.409 1.00 0.00 C ATOM 149 NZ LYS A 11 8.081 -7.708 1.401 1.00 0.00 N ATOM 0 H LYS A 11 7.442 -2.865 0.404 1.00 0.00 H new ATOM 0 HA LYS A 11 4.641 -3.295 0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.088 -3.388 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.463 -3.848 3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.484 -5.583 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.156 -5.169 1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.790 -5.796 3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.116 -6.125 3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.212 -8.232 3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.060 -7.901 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.199 -8.711 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.831 -7.167 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.972 -7.342 1.794 1.00 0.00 H new ATOM 163 N VAL A 12 4.074 -1.123 1.914 1.00 0.00 N ATOM 164 CA VAL A 12 3.673 0.183 2.343 1.00 0.00 C ATOM 165 C VAL A 12 2.697 0.106 3.502 1.00 0.00 C ATOM 166 O VAL A 12 2.311 -0.980 3.951 1.00 0.00 O ATOM 167 CB VAL A 12 3.024 0.976 1.182 1.00 0.00 C ATOM 168 CG1 VAL A 12 4.029 1.221 0.069 1.00 0.00 C ATOM 169 CG2 VAL A 12 1.798 0.237 0.641 1.00 0.00 C ATOM 0 H VAL A 12 3.299 -1.735 1.659 1.00 0.00 H new ATOM 0 HA VAL A 12 4.574 0.702 2.672 1.00 0.00 H new ATOM 0 HB VAL A 12 2.701 1.941 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.551 1.780 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.871 1.794 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.387 0.266 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.357 0.811 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.098 -0.744 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.065 0.117 1.438 1.00 0.00 H new ATOM 179 N LYS A 13 2.331 1.240 3.983 1.00 0.00 N ATOM 180 CA LYS A 13 1.377 1.384 5.039 1.00 0.00 C ATOM 181 C LYS A 13 0.162 2.086 4.425 1.00 0.00 C ATOM 182 O LYS A 13 0.331 3.007 3.651 1.00 0.00 O ATOM 183 CB LYS A 13 2.021 2.254 6.105 1.00 0.00 C ATOM 184 CG LYS A 13 2.152 1.660 7.494 1.00 0.00 C ATOM 185 CD LYS A 13 0.821 1.522 8.168 1.00 0.00 C ATOM 186 CE LYS A 13 0.959 1.441 9.687 1.00 0.00 C ATOM 187 NZ LYS A 13 1.648 0.227 10.168 1.00 0.00 N ATOM 0 H LYS A 13 2.697 2.129 3.644 1.00 0.00 H new ATOM 0 HA LYS A 13 1.074 0.437 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.017 2.530 5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.444 3.175 6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.629 0.682 7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.802 2.291 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.191 2.372 7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.319 0.627 7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.503 2.318 10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.034 1.483 10.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.792 0.294 11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.068 -0.609 9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.570 0.140 9.694 1.00 0.00 H new ATOM 201 N VAL A 14 -1.029 1.643 4.729 1.00 0.00 N ATOM 202 CA VAL A 14 -2.244 2.195 4.108 1.00 0.00 C ATOM 203 C VAL A 14 -3.261 2.619 5.173 1.00 0.00 C ATOM 204 O VAL A 14 -3.551 1.861 6.074 1.00 0.00 O ATOM 205 CB VAL A 14 -2.886 1.144 3.150 1.00 0.00 C ATOM 206 CG1 VAL A 14 -4.209 1.629 2.600 1.00 0.00 C ATOM 207 CG2 VAL A 14 -1.939 0.814 2.001 1.00 0.00 C ATOM 0 H VAL A 14 -1.203 0.898 5.404 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.959 3.076 3.534 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.069 0.242 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.627 0.872 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.900 1.812 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.055 2.553 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.405 0.079 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.723 1.721 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.011 0.406 2.400 1.00 0.00 H new ATOM 217 N LYS A 15 -3.790 3.818 5.058 1.00 0.00 N ATOM 218 CA LYS A 15 -4.740 4.354 6.032 1.00 0.00 C ATOM 219 C LYS A 15 -6.055 4.653 5.346 1.00 0.00 C ATOM 220 O LYS A 15 -6.080 5.473 4.474 1.00 0.00 O ATOM 221 CB LYS A 15 -4.170 5.690 6.562 1.00 0.00 C ATOM 222 CG LYS A 15 -4.850 6.352 7.799 1.00 0.00 C ATOM 223 CD LYS A 15 -6.266 6.877 7.553 1.00 0.00 C ATOM 224 CE LYS A 15 -6.820 7.559 8.794 1.00 0.00 C ATOM 225 NZ LYS A 15 -8.206 8.029 8.604 1.00 0.00 N ATOM 0 H LYS A 15 -3.579 4.455 4.290 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.894 3.634 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.121 5.528 6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.198 6.410 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.884 5.624 8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.226 7.178 8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.257 7.581 6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.918 6.052 7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.786 6.864 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.184 8.405 9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.376 8.861 9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.352 8.286 7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.869 7.272 8.867 1.00 0.00 H new ATOM 239 N TYR A 16 -7.132 4.013 5.750 1.00 0.00 N ATOM 240 CA TYR A 16 -8.475 4.375 5.281 1.00 0.00 C ATOM 241 C TYR A 16 -9.519 3.857 6.195 1.00 0.00 C ATOM 242 O TYR A 16 -9.277 2.905 6.938 1.00 0.00 O ATOM 243 CB TYR A 16 -8.817 4.131 3.766 1.00 0.00 C ATOM 244 CG TYR A 16 -8.701 2.744 3.258 1.00 0.00 C ATOM 245 CD1 TYR A 16 -8.076 1.820 3.994 1.00 0.00 C ATOM 246 CD2 TYR A 16 -9.222 2.385 2.018 1.00 0.00 C ATOM 247 CE1 TYR A 16 -7.941 0.538 3.561 1.00 0.00 C ATOM 248 CE2 TYR A 16 -9.102 1.093 1.551 1.00 0.00 C ATOM 249 CZ TYR A 16 -8.451 0.169 2.346 1.00 0.00 C ATOM 250 OH TYR A 16 -8.315 -1.122 1.935 1.00 0.00 O ATOM 0 H TYR A 16 -7.114 3.233 6.407 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.464 5.464 5.320 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.838 4.470 3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.164 4.766 3.166 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.669 2.098 4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.726 3.126 1.415 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.431 -0.189 4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.506 0.811 0.590 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.511 -1.511 2.339 1.00 0.00 H new ATOM 260 N GLY A 17 -10.644 4.496 6.208 1.00 0.00 N ATOM 261 CA GLY A 17 -11.640 4.069 7.083 1.00 0.00 C ATOM 262 C GLY A 17 -12.955 4.674 6.832 1.00 0.00 C ATOM 263 O GLY A 17 -13.065 5.852 6.478 1.00 0.00 O ATOM 0 H GLY A 17 -10.877 5.301 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.731 2.985 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.335 4.298 8.104 1.00 0.00 H new ATOM 267 N ARG A 18 -13.938 3.850 6.950 1.00 0.00 N ATOM 268 CA ARG A 18 -15.301 4.225 6.880 1.00 0.00 C ATOM 269 C ARG A 18 -16.070 3.322 7.824 1.00 0.00 C ATOM 270 O ARG A 18 -16.194 2.118 7.586 1.00 0.00 O ATOM 271 CB ARG A 18 -15.825 4.165 5.433 1.00 0.00 C ATOM 272 CG ARG A 18 -15.610 2.837 4.726 1.00 0.00 C ATOM 273 CD ARG A 18 -16.082 2.910 3.301 1.00 0.00 C ATOM 274 NE ARG A 18 -15.889 1.656 2.593 1.00 0.00 N ATOM 275 CZ ARG A 18 -15.897 1.526 1.272 1.00 0.00 C ATOM 276 NH1 ARG A 18 -16.107 2.587 0.496 1.00 0.00 N ATOM 277 NH2 ARG A 18 -15.682 0.340 0.727 1.00 0.00 N ATOM 0 H ARG A 18 -13.803 2.851 7.105 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.434 5.262 7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.892 4.387 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.339 4.950 4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.553 2.573 4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.148 2.048 5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.139 3.176 3.284 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.545 3.704 2.783 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.737 0.816 3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.262 3.503 0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.112 2.484 -0.519 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.511 -0.471 1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.687 0.236 -0.288 1.00 0.00 H new ATOM 291 N GLY A 19 -16.466 3.868 8.942 1.00 0.00 N ATOM 292 CA GLY A 19 -17.192 3.101 9.923 1.00 0.00 C ATOM 293 C GLY A 19 -16.305 2.054 10.570 1.00 0.00 C ATOM 294 O GLY A 19 -15.296 2.382 11.194 1.00 0.00 O ATOM 0 H GLY A 19 -16.299 4.841 9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.589 3.768 10.688 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -18.045 2.616 9.450 1.00 0.00 H new ATOM 298 N LYS A 20 -16.624 0.802 10.345 1.00 0.00 N ATOM 299 CA LYS A 20 -15.890 -0.305 10.941 1.00 0.00 C ATOM 300 C LYS A 20 -14.679 -0.685 10.059 1.00 0.00 C ATOM 301 O LYS A 20 -13.830 -1.467 10.457 1.00 0.00 O ATOM 302 CB LYS A 20 -16.845 -1.505 11.160 1.00 0.00 C ATOM 303 CG LYS A 20 -16.231 -2.739 11.846 1.00 0.00 C ATOM 304 CD LYS A 20 -15.771 -2.471 13.287 1.00 0.00 C ATOM 305 CE LYS A 20 -16.932 -2.155 14.230 1.00 0.00 C ATOM 306 NZ LYS A 20 -16.472 -1.967 15.627 1.00 0.00 N ATOM 0 H LYS A 20 -17.398 0.515 9.745 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.499 -0.004 11.913 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.692 -1.166 11.757 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.240 -1.811 10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.965 -3.545 11.851 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.380 -3.086 11.260 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.233 -3.342 13.660 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.069 -1.637 13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.441 -1.253 13.890 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.661 -2.965 14.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.288 -1.754 16.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.009 -2.837 15.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.796 -1.178 15.667 1.00 0.00 H new ATOM 320 N THR A 21 -14.588 -0.095 8.876 1.00 0.00 N ATOM 321 CA THR A 21 -13.467 -0.377 7.983 1.00 0.00 C ATOM 322 C THR A 21 -12.227 0.495 8.376 1.00 0.00 C ATOM 323 O THR A 21 -11.164 0.390 7.781 1.00 0.00 O ATOM 324 CB THR A 21 -13.870 -0.093 6.500 1.00 0.00 C ATOM 325 OG1 THR A 21 -15.154 -0.681 6.229 1.00 0.00 O ATOM 326 CG2 THR A 21 -12.861 -0.689 5.516 1.00 0.00 C ATOM 0 H THR A 21 -15.266 0.574 8.513 1.00 0.00 H new ATOM 0 HA THR A 21 -13.203 -1.430 8.081 1.00 0.00 H new ATOM 0 HB THR A 21 -13.897 0.989 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.407 -0.501 5.299 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.176 -0.471 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.878 -0.253 5.694 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.810 -1.769 5.657 1.00 0.00 H new ATOM 334 N GLN A 22 -12.376 1.336 9.398 1.00 0.00 N ATOM 335 CA GLN A 22 -11.289 2.223 9.799 1.00 0.00 C ATOM 336 C GLN A 22 -10.175 1.495 10.512 1.00 0.00 C ATOM 337 O GLN A 22 -10.322 1.040 11.656 1.00 0.00 O ATOM 338 CB GLN A 22 -11.780 3.438 10.604 1.00 0.00 C ATOM 339 CG GLN A 22 -10.666 4.401 11.066 1.00 0.00 C ATOM 340 CD GLN A 22 -9.791 4.952 9.932 1.00 0.00 C ATOM 341 OE1 GLN A 22 -10.100 5.965 9.306 1.00 0.00 O ATOM 342 NE2 GLN A 22 -8.653 4.348 9.731 1.00 0.00 N ATOM 0 H GLN A 22 -13.226 1.421 9.955 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.869 2.609 8.871 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.493 3.995 9.996 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.319 3.081 11.481 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.123 5.238 11.595 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.028 3.882 11.781 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.420 3.509 10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.996 4.714 9.042 1.00 0.00 H new ATOM 351 N LYS A 23 -9.086 1.380 9.809 1.00 0.00 N ATOM 352 CA LYS A 23 -7.878 0.820 10.293 1.00 0.00 C ATOM 353 C LYS A 23 -6.749 1.205 9.363 1.00 0.00 C ATOM 354 O LYS A 23 -6.978 1.765 8.246 1.00 0.00 O ATOM 355 CB LYS A 23 -7.945 -0.689 10.444 1.00 0.00 C ATOM 356 CG LYS A 23 -8.016 -1.456 9.167 1.00 0.00 C ATOM 357 CD LYS A 23 -7.755 -2.900 9.444 1.00 0.00 C ATOM 358 CE LYS A 23 -8.900 -3.552 10.186 1.00 0.00 C ATOM 359 NZ LYS A 23 -8.624 -4.966 10.490 1.00 0.00 N ATOM 0 H LYS A 23 -9.023 1.691 8.840 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.703 1.221 11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.068 -1.021 11.000 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.818 -0.939 11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.998 -1.333 8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.283 -1.072 8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.587 -3.425 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.841 -2.997 10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.086 -3.011 11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.808 -3.480 9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.433 -5.376 10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.472 -5.488 9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.772 -5.034 11.083 1.00 0.00 H new ATOM 373 N ILE A 24 -5.562 1.006 9.826 1.00 0.00 N ATOM 374 CA ILE A 24 -4.406 1.232 9.047 1.00 0.00 C ATOM 375 C ILE A 24 -3.771 -0.133 8.775 1.00 0.00 C ATOM 376 O ILE A 24 -3.474 -0.893 9.701 1.00 0.00 O ATOM 377 CB ILE A 24 -3.436 2.157 9.805 1.00 0.00 C ATOM 378 CG1 ILE A 24 -4.168 3.425 10.213 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.269 2.526 8.921 1.00 0.00 C ATOM 380 CD1 ILE A 24 -3.429 4.258 11.219 1.00 0.00 C ATOM 0 H ILE A 24 -5.371 0.676 10.772 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.652 1.723 8.105 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.067 1.636 10.688 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.354 4.027 9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.141 3.155 10.624 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.590 3.180 9.468 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.739 1.622 8.622 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.634 3.043 8.033 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.016 5.145 11.459 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.266 3.675 12.125 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.467 4.561 10.805 1.00 0.00 H new ATOM 392 N TYR A 25 -3.570 -0.427 7.532 1.00 0.00 N ATOM 393 CA TYR A 25 -3.087 -1.719 7.098 1.00 0.00 C ATOM 394 C TYR A 25 -1.651 -1.595 6.633 1.00 0.00 C ATOM 395 O TYR A 25 -1.144 -0.489 6.430 1.00 0.00 O ATOM 396 CB TYR A 25 -3.847 -2.209 5.870 1.00 0.00 C ATOM 397 CG TYR A 25 -5.340 -2.482 5.940 1.00 0.00 C ATOM 398 CD1 TYR A 25 -6.268 -1.458 5.893 1.00 0.00 C ATOM 399 CD2 TYR A 25 -5.814 -3.790 5.925 1.00 0.00 C ATOM 400 CE1 TYR A 25 -7.625 -1.729 5.827 1.00 0.00 C ATOM 401 CE2 TYR A 25 -7.166 -4.064 5.881 1.00 0.00 C ATOM 402 CZ TYR A 25 -8.066 -3.027 5.822 1.00 0.00 C ATOM 403 OH TYR A 25 -9.420 -3.287 5.724 1.00 0.00 O ATOM 0 H TYR A 25 -3.737 0.228 6.768 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.207 -2.399 7.942 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.692 -1.472 5.082 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.367 -3.131 5.543 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.930 -0.432 5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.109 -4.608 5.948 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.336 -0.917 5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.514 -5.086 5.893 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.888 -2.477 5.431 1.00 0.00 H new ATOM 413 N GLU A 26 -1.010 -2.716 6.483 1.00 0.00 N ATOM 414 CA GLU A 26 0.293 -2.799 5.890 1.00 0.00 C ATOM 415 C GLU A 26 0.160 -3.643 4.631 1.00 0.00 C ATOM 416 O GLU A 26 -0.324 -4.784 4.686 1.00 0.00 O ATOM 417 CB GLU A 26 1.287 -3.394 6.868 1.00 0.00 C ATOM 418 CG GLU A 26 1.494 -2.513 8.083 1.00 0.00 C ATOM 419 CD GLU A 26 2.466 -3.085 9.052 1.00 0.00 C ATOM 420 OE1 GLU A 26 3.683 -2.931 8.843 1.00 0.00 O ATOM 421 OE2 GLU A 26 2.034 -3.678 10.060 1.00 0.00 O ATOM 0 H GLU A 26 -1.386 -3.618 6.776 1.00 0.00 H new ATOM 0 HA GLU A 26 0.672 -1.810 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.936 -4.375 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.242 -3.546 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.845 -1.533 7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.537 -2.360 8.583 1.00 0.00 H new ATOM 428 N ALA A 27 0.549 -3.090 3.520 1.00 0.00 N ATOM 429 CA ALA A 27 0.308 -3.703 2.234 1.00 0.00 C ATOM 430 C ALA A 27 1.552 -3.761 1.408 1.00 0.00 C ATOM 431 O ALA A 27 2.616 -3.396 1.853 1.00 0.00 O ATOM 432 CB ALA A 27 -0.727 -2.898 1.478 1.00 0.00 C ATOM 0 H ALA A 27 1.044 -2.199 3.473 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.042 -4.720 2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.909 -3.360 0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.656 -2.873 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.362 -1.881 1.333 1.00 0.00 H new ATOM 438 N SER A 28 1.414 -4.271 0.228 1.00 0.00 N ATOM 439 CA SER A 28 2.446 -4.254 -0.752 1.00 0.00 C ATOM 440 C SER A 28 1.820 -3.845 -2.076 1.00 0.00 C ATOM 441 O SER A 28 0.710 -4.301 -2.405 1.00 0.00 O ATOM 442 CB SER A 28 3.107 -5.622 -0.844 1.00 0.00 C ATOM 443 OG SER A 28 3.573 -6.016 0.437 1.00 0.00 O ATOM 0 H SER A 28 0.556 -4.723 -0.088 1.00 0.00 H new ATOM 0 HA SER A 28 3.226 -3.542 -0.483 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.396 -6.355 -1.224 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.938 -5.588 -1.549 1.00 0.00 H new ATOM 0 HG SER A 28 3.996 -6.898 0.374 1.00 0.00 H new ATOM 449 N ILE A 29 2.480 -2.947 -2.786 1.00 0.00 N ATOM 450 CA ILE A 29 1.979 -2.437 -4.059 1.00 0.00 C ATOM 451 C ILE A 29 1.953 -3.565 -5.070 1.00 0.00 C ATOM 452 O ILE A 29 2.974 -4.216 -5.298 1.00 0.00 O ATOM 453 CB ILE A 29 2.861 -1.277 -4.607 1.00 0.00 C ATOM 454 CG1 ILE A 29 3.026 -0.157 -3.559 1.00 0.00 C ATOM 455 CG2 ILE A 29 2.285 -0.712 -5.913 1.00 0.00 C ATOM 456 CD1 ILE A 29 1.726 0.444 -3.068 1.00 0.00 C ATOM 0 H ILE A 29 3.375 -2.549 -2.502 1.00 0.00 H new ATOM 0 HA ILE A 29 0.976 -2.045 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 29 3.847 -1.689 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.573 -0.555 -2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.639 0.636 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.922 0.096 -6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.243 -1.501 -6.664 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.280 -0.329 -5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.939 1.222 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.184 0.876 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.117 -0.333 -2.606 1.00 0.00 H new ATOM 468 N LYS A 30 0.806 -3.802 -5.647 1.00 0.00 N ATOM 469 CA LYS A 30 0.644 -4.884 -6.572 1.00 0.00 C ATOM 470 C LYS A 30 0.614 -4.325 -7.996 1.00 0.00 C ATOM 471 O LYS A 30 1.294 -4.829 -8.875 1.00 0.00 O ATOM 472 CB LYS A 30 -0.636 -5.674 -6.189 1.00 0.00 C ATOM 473 CG LYS A 30 -0.762 -7.084 -6.776 1.00 0.00 C ATOM 474 CD LYS A 30 -1.138 -7.109 -8.239 1.00 0.00 C ATOM 475 CE LYS A 30 -2.570 -6.639 -8.460 1.00 0.00 C ATOM 476 NZ LYS A 30 -3.557 -7.456 -7.701 1.00 0.00 N ATOM 0 H LYS A 30 -0.038 -3.251 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 30 1.479 -5.583 -6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.679 -5.750 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.504 -5.094 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.186 -7.607 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.511 -7.637 -6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.455 -6.472 -8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.023 -8.121 -8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.658 -5.595 -8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.805 -6.685 -9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.470 -7.449 -8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.212 -8.434 -7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.679 -7.056 -6.749 1.00 0.00 H new ATOM 490 N SER A 31 -0.152 -3.278 -8.213 1.00 0.00 N ATOM 491 CA SER A 31 -0.211 -2.636 -9.503 1.00 0.00 C ATOM 492 C SER A 31 -0.588 -1.180 -9.275 1.00 0.00 C ATOM 493 O SER A 31 -1.091 -0.844 -8.199 1.00 0.00 O ATOM 494 CB SER A 31 -1.243 -3.354 -10.399 1.00 0.00 C ATOM 495 OG SER A 31 -1.279 -2.810 -11.710 1.00 0.00 O ATOM 0 H SER A 31 -0.747 -2.852 -7.503 1.00 0.00 H new ATOM 0 HA SER A 31 0.751 -2.688 -10.013 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.000 -4.415 -10.453 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.232 -3.276 -9.947 1.00 0.00 H new ATOM 0 HG SER A 31 -1.943 -3.292 -12.246 1.00 0.00 H new ATOM 501 N THR A 32 -0.323 -0.319 -10.226 1.00 0.00 N ATOM 502 CA THR A 32 -0.674 1.073 -10.086 1.00 0.00 C ATOM 503 C THR A 32 -1.331 1.534 -11.365 1.00 0.00 C ATOM 504 O THR A 32 -0.899 1.138 -12.454 1.00 0.00 O ATOM 505 CB THR A 32 0.563 1.934 -9.866 1.00 0.00 C ATOM 506 OG1 THR A 32 1.496 1.231 -9.045 1.00 0.00 O ATOM 507 CG2 THR A 32 0.179 3.191 -9.152 1.00 0.00 C ATOM 0 H THR A 32 0.135 -0.557 -11.106 1.00 0.00 H new ATOM 0 HA THR A 32 -1.339 1.174 -9.229 1.00 0.00 H new ATOM 0 HB THR A 32 1.006 2.166 -10.834 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.432 1.558 -8.123 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.065 3.806 -8.995 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.545 3.743 -9.751 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.264 2.941 -8.188 1.00 0.00 H new ATOM 515 N GLU A 33 -2.337 2.354 -11.242 1.00 0.00 N ATOM 516 CA GLU A 33 -3.052 2.895 -12.389 1.00 0.00 C ATOM 517 C GLU A 33 -3.516 4.293 -12.114 1.00 0.00 C ATOM 518 O GLU A 33 -3.597 4.714 -10.972 1.00 0.00 O ATOM 519 CB GLU A 33 -4.247 2.038 -12.825 1.00 0.00 C ATOM 520 CG GLU A 33 -3.867 0.736 -13.511 1.00 0.00 C ATOM 521 CD GLU A 33 -5.055 -0.036 -14.017 1.00 0.00 C ATOM 522 OE1 GLU A 33 -5.627 0.346 -15.058 1.00 0.00 O ATOM 523 OE2 GLU A 33 -5.420 -1.062 -13.407 1.00 0.00 O ATOM 0 H GLU A 33 -2.695 2.674 -10.342 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.337 2.892 -13.211 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.854 1.810 -11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.871 2.623 -13.501 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.201 0.954 -14.346 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.309 0.114 -12.812 1.00 0.00 H new ATOM 530 N ILE A 34 -3.816 5.004 -13.146 1.00 0.00 N ATOM 531 CA ILE A 34 -4.253 6.360 -13.020 1.00 0.00 C ATOM 532 C ILE A 34 -5.728 6.424 -13.355 1.00 0.00 C ATOM 533 O ILE A 34 -6.156 6.008 -14.439 1.00 0.00 O ATOM 534 CB ILE A 34 -3.441 7.368 -13.913 1.00 0.00 C ATOM 535 CG1 ILE A 34 -1.965 7.521 -13.469 1.00 0.00 C ATOM 536 CG2 ILE A 34 -4.107 8.739 -13.942 1.00 0.00 C ATOM 537 CD1 ILE A 34 -1.102 6.287 -13.614 1.00 0.00 C ATOM 0 H ILE A 34 -3.766 4.664 -14.106 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.074 6.671 -11.991 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.441 6.940 -14.915 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.513 8.327 -14.047 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.950 7.831 -12.424 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.523 9.414 -14.567 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.113 8.646 -14.350 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.162 9.138 -12.929 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.090 6.509 -13.274 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.518 5.479 -13.012 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.075 5.983 -14.660 1.00 0.00 H new ATOM 549 N ASP A 35 -6.473 6.945 -12.447 1.00 0.00 N ATOM 550 CA ASP A 35 -7.908 7.014 -12.547 1.00 0.00 C ATOM 551 C ASP A 35 -8.372 8.418 -12.242 1.00 0.00 C ATOM 552 O ASP A 35 -8.163 8.912 -11.149 1.00 0.00 O ATOM 553 CB ASP A 35 -8.540 6.006 -11.576 1.00 0.00 C ATOM 554 CG ASP A 35 -10.048 6.089 -11.491 1.00 0.00 C ATOM 555 OD1 ASP A 35 -10.737 5.746 -12.481 1.00 0.00 O ATOM 556 OD2 ASP A 35 -10.572 6.434 -10.415 1.00 0.00 O ATOM 0 H ASP A 35 -6.103 7.349 -11.587 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.219 6.761 -13.561 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.259 4.998 -11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.122 6.165 -10.582 1.00 0.00 H new ATOM 561 N ASP A 36 -8.926 9.077 -13.252 1.00 0.00 N ATOM 562 CA ASP A 36 -9.466 10.453 -13.140 1.00 0.00 C ATOM 563 C ASP A 36 -8.409 11.508 -12.832 1.00 0.00 C ATOM 564 O ASP A 36 -8.720 12.570 -12.295 1.00 0.00 O ATOM 565 CB ASP A 36 -10.655 10.558 -12.152 1.00 0.00 C ATOM 566 CG ASP A 36 -11.984 10.209 -12.782 1.00 0.00 C ATOM 567 OD1 ASP A 36 -12.493 11.020 -13.583 1.00 0.00 O ATOM 568 OD2 ASP A 36 -12.569 9.154 -12.467 1.00 0.00 O ATOM 0 H ASP A 36 -9.021 8.680 -14.187 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.845 10.673 -14.138 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.476 9.895 -11.306 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.703 11.573 -11.757 1.00 0.00 H new ATOM 573 N GLY A 37 -7.172 11.242 -13.199 1.00 0.00 N ATOM 574 CA GLY A 37 -6.120 12.229 -13.003 1.00 0.00 C ATOM 575 C GLY A 37 -5.240 11.922 -11.818 1.00 0.00 C ATOM 576 O GLY A 37 -4.119 12.432 -11.711 1.00 0.00 O ATOM 0 H GLY A 37 -6.870 10.367 -13.628 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.505 12.281 -13.902 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.572 13.212 -12.869 1.00 0.00 H new ATOM 580 N GLU A 38 -5.717 11.080 -10.949 1.00 0.00 N ATOM 581 CA GLU A 38 -4.982 10.697 -9.772 1.00 0.00 C ATOM 582 C GLU A 38 -4.509 9.285 -9.907 1.00 0.00 C ATOM 583 O GLU A 38 -5.108 8.483 -10.625 1.00 0.00 O ATOM 584 CB GLU A 38 -5.829 10.880 -8.515 1.00 0.00 C ATOM 585 CG GLU A 38 -7.228 10.304 -8.619 1.00 0.00 C ATOM 586 CD GLU A 38 -8.015 10.429 -7.351 1.00 0.00 C ATOM 587 OE1 GLU A 38 -8.146 11.546 -6.821 1.00 0.00 O ATOM 588 OE2 GLU A 38 -8.549 9.423 -6.874 1.00 0.00 O ATOM 0 H GLU A 38 -6.631 10.635 -11.034 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.112 11.346 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.317 10.412 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.902 11.944 -8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.763 10.810 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.161 9.252 -8.895 1.00 0.00 H new ATOM 595 N VAL A 39 -3.441 8.986 -9.256 1.00 0.00 N ATOM 596 CA VAL A 39 -2.878 7.692 -9.341 1.00 0.00 C ATOM 597 C VAL A 39 -3.291 6.848 -8.153 1.00 0.00 C ATOM 598 O VAL A 39 -3.114 7.228 -6.975 1.00 0.00 O ATOM 599 CB VAL A 39 -1.340 7.735 -9.557 1.00 0.00 C ATOM 600 CG1 VAL A 39 -0.630 8.462 -8.424 1.00 0.00 C ATOM 601 CG2 VAL A 39 -0.778 6.339 -9.796 1.00 0.00 C ATOM 0 H VAL A 39 -2.936 9.633 -8.651 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.280 7.206 -10.230 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.148 8.314 -10.460 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.443 8.470 -8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.996 9.487 -8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.829 7.950 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.300 6.401 -9.944 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.990 5.709 -8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.241 5.907 -10.683 1.00 0.00 H new ATOM 611 N LEU A 40 -3.895 5.747 -8.469 1.00 0.00 N ATOM 612 CA LEU A 40 -4.396 4.839 -7.508 1.00 0.00 C ATOM 613 C LEU A 40 -3.557 3.612 -7.529 1.00 0.00 C ATOM 614 O LEU A 40 -3.101 3.156 -8.589 1.00 0.00 O ATOM 615 CB LEU A 40 -5.844 4.460 -7.805 1.00 0.00 C ATOM 616 CG LEU A 40 -6.839 5.606 -7.934 1.00 0.00 C ATOM 617 CD1 LEU A 40 -8.236 5.057 -8.115 1.00 0.00 C ATOM 618 CD2 LEU A 40 -6.775 6.519 -6.729 1.00 0.00 C ATOM 0 H LEU A 40 -4.054 5.454 -9.433 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.363 5.315 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.862 3.888 -8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.191 3.796 -7.013 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.576 6.196 -8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.942 5.882 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.273 4.446 -9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.502 4.446 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.495 7.328 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.012 5.951 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.772 6.936 -6.641 1.00 0.00 H new ATOM 630 N TYR A 41 -3.342 3.090 -6.403 1.00 0.00 N ATOM 631 CA TYR A 41 -2.558 1.941 -6.255 1.00 0.00 C ATOM 632 C TYR A 41 -3.438 0.810 -5.903 1.00 0.00 C ATOM 633 O TYR A 41 -4.419 0.971 -5.167 1.00 0.00 O ATOM 634 CB TYR A 41 -1.497 2.143 -5.175 1.00 0.00 C ATOM 635 CG TYR A 41 -0.463 3.184 -5.524 1.00 0.00 C ATOM 636 CD1 TYR A 41 -0.763 4.534 -5.486 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.811 2.812 -5.892 1.00 0.00 C ATOM 638 CE1 TYR A 41 0.178 5.479 -5.803 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.761 3.752 -6.213 1.00 0.00 C ATOM 640 CZ TYR A 41 1.438 5.086 -6.165 1.00 0.00 C ATOM 641 OH TYR A 41 2.380 6.032 -6.484 1.00 0.00 O ATOM 0 H TYR A 41 -3.716 3.457 -5.528 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.042 1.732 -7.192 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.988 2.430 -4.245 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.995 1.193 -4.990 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.756 4.849 -5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.068 1.764 -5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.074 6.529 -5.767 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.755 3.444 -6.501 1.00 0.00 H new ATOM 0 HH TYR A 41 3.004 6.138 -5.736 1.00 0.00 H new ATOM 651 N LEU A 42 -3.118 -0.306 -6.424 1.00 0.00 N ATOM 652 CA LEU A 42 -3.805 -1.489 -6.118 1.00 0.00 C ATOM 653 C LEU A 42 -2.819 -2.224 -5.268 1.00 0.00 C ATOM 654 O LEU A 42 -1.744 -2.630 -5.746 1.00 0.00 O ATOM 655 CB LEU A 42 -4.112 -2.280 -7.404 1.00 0.00 C ATOM 656 CG LEU A 42 -5.320 -3.238 -7.373 1.00 0.00 C ATOM 657 CD1 LEU A 42 -5.405 -4.052 -8.645 1.00 0.00 C ATOM 658 CD2 LEU A 42 -5.326 -4.138 -6.161 1.00 0.00 C ATOM 0 H LEU A 42 -2.354 -0.424 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.765 -1.326 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.270 -1.564 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.227 -2.861 -7.662 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.207 -2.609 -7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.266 -4.718 -8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.514 -3.383 -9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.496 -4.642 -8.761 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.200 -4.789 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.421 -4.745 -6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.362 -3.530 -5.257 1.00 0.00 H new ATOM 670 N VAL A 43 -3.130 -2.342 -4.038 1.00 0.00 N ATOM 671 CA VAL A 43 -2.228 -2.870 -3.076 1.00 0.00 C ATOM 672 C VAL A 43 -2.830 -4.123 -2.515 1.00 0.00 C ATOM 673 O VAL A 43 -4.051 -4.285 -2.528 1.00 0.00 O ATOM 674 CB VAL A 43 -1.992 -1.825 -1.918 1.00 0.00 C ATOM 675 CG1 VAL A 43 -1.586 -0.480 -2.488 1.00 0.00 C ATOM 676 CG2 VAL A 43 -3.226 -1.664 -1.024 1.00 0.00 C ATOM 0 H VAL A 43 -4.036 -2.071 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.267 -3.085 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.183 -2.213 -1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.428 0.227 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.663 -0.590 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.375 -0.109 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.016 -0.935 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.068 -1.319 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.473 -2.623 -0.569 1.00 0.00 H new ATOM 686 N HIS A 44 -2.011 -5.031 -2.103 1.00 0.00 N ATOM 687 CA HIS A 44 -2.523 -6.198 -1.467 1.00 0.00 C ATOM 688 C HIS A 44 -1.883 -6.376 -0.133 1.00 0.00 C ATOM 689 O HIS A 44 -0.686 -6.113 0.035 1.00 0.00 O ATOM 690 CB HIS A 44 -2.497 -7.504 -2.340 1.00 0.00 C ATOM 691 CG HIS A 44 -1.152 -8.070 -2.761 1.00 0.00 C ATOM 692 ND1 HIS A 44 -0.996 -8.830 -3.901 1.00 0.00 N ATOM 693 CD2 HIS A 44 0.064 -8.066 -2.161 1.00 0.00 C ATOM 694 CE1 HIS A 44 0.247 -9.261 -3.976 1.00 0.00 C ATOM 695 NE2 HIS A 44 0.909 -8.812 -2.932 1.00 0.00 N ATOM 0 H HIS A 44 -0.996 -4.990 -2.193 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.590 -6.024 -1.325 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.025 -8.282 -1.788 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.072 -7.309 -3.245 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.318 -7.563 -1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.654 -9.879 -4.763 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.893 -8.992 -2.731 1.00 0.00 H new ATOM 704 N TYR A 45 -2.670 -6.733 0.811 1.00 0.00 N ATOM 705 CA TYR A 45 -2.208 -6.982 2.142 1.00 0.00 C ATOM 706 C TYR A 45 -1.668 -8.389 2.154 1.00 0.00 C ATOM 707 O TYR A 45 -2.362 -9.306 1.758 1.00 0.00 O ATOM 708 CB TYR A 45 -3.370 -6.779 3.125 1.00 0.00 C ATOM 709 CG TYR A 45 -4.063 -5.450 2.879 1.00 0.00 C ATOM 710 CD1 TYR A 45 -3.366 -4.273 3.002 1.00 0.00 C ATOM 711 CD2 TYR A 45 -5.382 -5.380 2.441 1.00 0.00 C ATOM 712 CE1 TYR A 45 -3.947 -3.059 2.714 1.00 0.00 C ATOM 713 CE2 TYR A 45 -5.967 -4.162 2.137 1.00 0.00 C ATOM 714 CZ TYR A 45 -5.235 -3.008 2.280 1.00 0.00 C ATOM 715 OH TYR A 45 -5.785 -1.796 1.974 1.00 0.00 O ATOM 0 H TYR A 45 -3.674 -6.866 0.688 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.419 -6.296 2.451 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.087 -7.593 3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.996 -6.815 4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.338 -4.301 3.332 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.957 -6.288 2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.380 -2.147 2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.989 -4.120 1.791 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.915 -1.731 1.005 1.00 0.00 H new ATOM 725 N TYR A 46 -0.414 -8.533 2.537 1.00 0.00 N ATOM 726 CA TYR A 46 0.290 -9.809 2.435 1.00 0.00 C ATOM 727 C TYR A 46 -0.357 -10.993 3.172 1.00 0.00 C ATOM 728 O TYR A 46 -1.138 -10.804 4.116 1.00 0.00 O ATOM 729 CB TYR A 46 1.817 -9.673 2.665 1.00 0.00 C ATOM 730 CG TYR A 46 2.261 -8.836 3.862 1.00 0.00 C ATOM 731 CD1 TYR A 46 2.476 -9.409 5.101 1.00 0.00 C ATOM 732 CD2 TYR A 46 2.508 -7.468 3.723 1.00 0.00 C ATOM 733 CE1 TYR A 46 2.914 -8.655 6.175 1.00 0.00 C ATOM 734 CE2 TYR A 46 2.954 -6.708 4.791 1.00 0.00 C ATOM 735 CZ TYR A 46 3.153 -7.307 6.015 1.00 0.00 C ATOM 736 OH TYR A 46 3.614 -6.561 7.089 1.00 0.00 O ATOM 0 H TYR A 46 0.148 -7.776 2.927 1.00 0.00 H new ATOM 0 HA TYR A 46 0.167 -10.095 1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.234 -10.674 2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.259 -9.242 1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.299 -10.466 5.233 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.348 -6.995 2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.068 -9.122 7.137 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.145 -5.652 4.665 1.00 0.00 H new ATOM 0 HH TYR A 46 3.734 -5.629 6.812 1.00 0.00 H new ATOM 746 N GLY A 47 0.006 -12.205 2.691 1.00 0.00 N ATOM 747 CA GLY A 47 -0.565 -13.506 3.083 1.00 0.00 C ATOM 748 C GLY A 47 -0.929 -13.665 4.534 1.00 0.00 C ATOM 749 O GLY A 47 -0.131 -14.161 5.346 1.00 0.00 O ATOM 0 H GLY A 47 0.738 -12.302 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.459 -13.681 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.150 -14.286 2.822 1.00 0.00 H new ATOM 753 N TRP A 48 -2.156 -13.307 4.836 1.00 0.00 N ATOM 754 CA TRP A 48 -2.722 -13.328 6.176 1.00 0.00 C ATOM 755 C TRP A 48 -4.082 -12.708 6.093 1.00 0.00 C ATOM 756 O TRP A 48 -5.074 -13.239 6.594 1.00 0.00 O ATOM 757 CB TRP A 48 -1.847 -12.500 7.146 1.00 0.00 C ATOM 758 CG TRP A 48 -2.368 -12.392 8.546 1.00 0.00 C ATOM 759 CD1 TRP A 48 -2.815 -11.260 9.170 1.00 0.00 C ATOM 760 CD2 TRP A 48 -2.500 -13.453 9.493 1.00 0.00 C ATOM 761 NE1 TRP A 48 -3.193 -11.555 10.454 1.00 0.00 N ATOM 762 CE2 TRP A 48 -3.014 -12.895 10.675 1.00 0.00 C ATOM 763 CE3 TRP A 48 -2.226 -14.821 9.455 1.00 0.00 C ATOM 764 CZ2 TRP A 48 -3.260 -13.656 11.804 1.00 0.00 C ATOM 765 CZ3 TRP A 48 -2.472 -15.572 10.578 1.00 0.00 C ATOM 766 CH2 TRP A 48 -2.984 -14.988 11.739 1.00 0.00 C ATOM 0 H TRP A 48 -2.817 -12.980 4.131 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.771 -14.352 6.547 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.852 -12.943 7.180 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.735 -11.495 6.739 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.863 -10.280 8.718 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -3.550 -10.885 11.135 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.829 -15.279 8.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.656 -13.210 12.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.266 -16.632 10.563 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.165 -15.607 12.605 1.00 0.00 H new ATOM 777 N ASN A 49 -4.117 -11.599 5.431 1.00 0.00 N ATOM 778 CA ASN A 49 -5.312 -10.825 5.271 1.00 0.00 C ATOM 779 C ASN A 49 -6.031 -11.258 3.994 1.00 0.00 C ATOM 780 O ASN A 49 -5.535 -11.041 2.898 1.00 0.00 O ATOM 781 CB ASN A 49 -4.914 -9.348 5.232 1.00 0.00 C ATOM 782 CG ASN A 49 -6.066 -8.401 5.048 1.00 0.00 C ATOM 783 OD1 ASN A 49 -6.416 -8.060 3.939 1.00 0.00 O ATOM 784 ND2 ASN A 49 -6.651 -7.963 6.129 1.00 0.00 N ATOM 0 H ASN A 49 -3.300 -11.193 4.975 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.002 -10.982 6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.398 -9.098 6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.202 -9.197 4.421 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.432 -7.310 6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.328 -8.273 7.045 1.00 0.00 H new ATOM 791 N VAL A 50 -7.189 -11.896 4.153 1.00 0.00 N ATOM 792 CA VAL A 50 -7.956 -12.441 3.014 1.00 0.00 C ATOM 793 C VAL A 50 -8.650 -11.303 2.243 1.00 0.00 C ATOM 794 O VAL A 50 -8.989 -11.436 1.057 1.00 0.00 O ATOM 795 CB VAL A 50 -9.000 -13.505 3.497 1.00 0.00 C ATOM 796 CG1 VAL A 50 -9.745 -14.147 2.328 1.00 0.00 C ATOM 797 CG2 VAL A 50 -8.318 -14.577 4.336 1.00 0.00 C ATOM 0 H VAL A 50 -7.626 -12.053 5.061 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.260 -12.941 2.340 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.735 -12.983 4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.458 -14.878 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.277 -13.377 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.032 -14.644 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.057 -15.308 4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.555 -15.076 3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.853 -14.116 5.207 1.00 0.00 H new ATOM 807 N ARG A 51 -8.823 -10.185 2.939 1.00 0.00 N ATOM 808 CA ARG A 51 -9.374 -8.937 2.399 1.00 0.00 C ATOM 809 C ARG A 51 -8.490 -8.528 1.173 1.00 0.00 C ATOM 810 O ARG A 51 -8.986 -8.035 0.163 1.00 0.00 O ATOM 811 CB ARG A 51 -9.347 -7.936 3.583 1.00 0.00 C ATOM 812 CG ARG A 51 -10.117 -6.636 3.493 1.00 0.00 C ATOM 813 CD ARG A 51 -9.441 -5.578 2.667 1.00 0.00 C ATOM 814 NE ARG A 51 -10.033 -4.266 2.953 1.00 0.00 N ATOM 815 CZ ARG A 51 -10.635 -3.479 2.064 1.00 0.00 C ATOM 816 NH1 ARG A 51 -10.822 -3.902 0.815 1.00 0.00 N ATOM 817 NH2 ARG A 51 -11.088 -2.288 2.441 1.00 0.00 N ATOM 0 H ARG A 51 -8.577 -10.115 3.926 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.397 -8.997 2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.708 -8.466 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.303 -7.682 3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.101 -6.838 3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.275 -6.250 4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.373 -5.560 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.545 -5.810 1.607 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.979 -3.929 3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.504 -4.831 0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.284 -3.297 0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.974 -1.981 3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.550 -1.681 1.764 1.00 0.00 H new ATOM 831 N TYR A 52 -7.191 -8.777 1.333 1.00 0.00 N ATOM 832 CA TYR A 52 -6.138 -8.821 0.296 1.00 0.00 C ATOM 833 C TYR A 52 -5.982 -7.582 -0.619 1.00 0.00 C ATOM 834 O TYR A 52 -5.284 -6.651 -0.258 1.00 0.00 O ATOM 835 CB TYR A 52 -6.228 -10.137 -0.493 1.00 0.00 C ATOM 836 CG TYR A 52 -4.913 -10.653 -1.024 1.00 0.00 C ATOM 837 CD1 TYR A 52 -3.929 -11.080 -0.151 1.00 0.00 C ATOM 838 CD2 TYR A 52 -4.661 -10.738 -2.377 1.00 0.00 C ATOM 839 CE1 TYR A 52 -2.728 -11.570 -0.607 1.00 0.00 C ATOM 840 CE2 TYR A 52 -3.460 -11.236 -2.846 1.00 0.00 C ATOM 841 CZ TYR A 52 -2.496 -11.650 -1.953 1.00 0.00 C ATOM 842 OH TYR A 52 -1.292 -12.148 -2.414 1.00 0.00 O ATOM 0 H TYR A 52 -6.809 -8.969 2.259 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.204 -8.785 0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.667 -10.900 0.150 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.910 -9.995 -1.331 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.108 -11.027 0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.413 -10.411 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.971 -11.890 0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.278 -11.300 -3.909 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.288 -12.138 -3.394 1.00 0.00 H new ATOM 852 N ASP A 53 -6.610 -7.581 -1.786 1.00 0.00 N ATOM 853 CA ASP A 53 -6.417 -6.487 -2.766 1.00 0.00 C ATOM 854 C ASP A 53 -7.404 -5.369 -2.565 1.00 0.00 C ATOM 855 O ASP A 53 -8.601 -5.617 -2.333 1.00 0.00 O ATOM 856 CB ASP A 53 -6.538 -6.956 -4.234 1.00 0.00 C ATOM 857 CG ASP A 53 -5.363 -7.739 -4.791 1.00 0.00 C ATOM 858 OD1 ASP A 53 -4.319 -7.143 -5.151 1.00 0.00 O ATOM 859 OD2 ASP A 53 -5.488 -8.960 -4.975 1.00 0.00 O ATOM 0 H ASP A 53 -7.254 -8.311 -2.089 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.401 -6.136 -2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.432 -7.572 -4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.692 -6.078 -4.862 1.00 0.00 H new ATOM 864 N GLU A 54 -6.925 -4.148 -2.668 1.00 0.00 N ATOM 865 CA GLU A 54 -7.767 -2.978 -2.589 1.00 0.00 C ATOM 866 C GLU A 54 -7.069 -1.780 -3.235 1.00 0.00 C ATOM 867 O GLU A 54 -5.842 -1.757 -3.380 1.00 0.00 O ATOM 868 CB GLU A 54 -8.165 -2.686 -1.129 1.00 0.00 C ATOM 869 CG GLU A 54 -9.151 -1.532 -0.957 1.00 0.00 C ATOM 870 CD GLU A 54 -10.438 -1.732 -1.702 1.00 0.00 C ATOM 871 OE1 GLU A 54 -10.499 -1.401 -2.899 1.00 0.00 O ATOM 872 OE2 GLU A 54 -11.422 -2.192 -1.095 1.00 0.00 O ATOM 0 H GLU A 54 -5.936 -3.940 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.686 -3.169 -3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.602 -3.587 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.263 -2.464 -0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.369 -1.406 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.682 -0.609 -1.298 1.00 0.00 H new ATOM 879 N TRP A 55 -7.867 -0.824 -3.627 1.00 0.00 N ATOM 880 CA TRP A 55 -7.434 0.382 -4.277 1.00 0.00 C ATOM 881 C TRP A 55 -7.370 1.536 -3.312 1.00 0.00 C ATOM 882 O TRP A 55 -8.358 1.844 -2.633 1.00 0.00 O ATOM 883 CB TRP A 55 -8.423 0.727 -5.351 1.00 0.00 C ATOM 884 CG TRP A 55 -8.400 -0.225 -6.496 1.00 0.00 C ATOM 885 CD1 TRP A 55 -9.015 -1.436 -6.575 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.698 -0.044 -7.724 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.751 -2.015 -7.788 1.00 0.00 N ATOM 888 CE2 TRP A 55 -7.942 -1.176 -8.515 1.00 0.00 C ATOM 889 CE3 TRP A 55 -6.890 0.975 -8.232 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -7.402 -1.318 -9.790 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -6.353 0.834 -9.491 1.00 0.00 C ATOM 892 CH2 TRP A 55 -6.611 -0.303 -10.258 1.00 0.00 C ATOM 0 H TRP A 55 -8.878 -0.866 -3.497 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.438 0.212 -4.686 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.425 0.745 -4.922 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.215 1.732 -5.718 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.621 -1.876 -5.797 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.099 -2.922 -8.101 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.690 1.860 -7.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.599 -2.196 -10.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.723 1.614 -9.891 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.177 -0.384 -11.243 1.00 0.00 H new ATOM 903 N VAL A 56 -6.231 2.169 -3.257 1.00 0.00 N ATOM 904 CA VAL A 56 -6.025 3.351 -2.434 1.00 0.00 C ATOM 905 C VAL A 56 -5.213 4.379 -3.198 1.00 0.00 C ATOM 906 O VAL A 56 -4.439 4.031 -4.080 1.00 0.00 O ATOM 907 CB VAL A 56 -5.329 3.040 -1.072 1.00 0.00 C ATOM 908 CG1 VAL A 56 -6.250 2.245 -0.174 1.00 0.00 C ATOM 909 CG2 VAL A 56 -4.022 2.283 -1.280 1.00 0.00 C ATOM 0 H VAL A 56 -5.405 1.884 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.015 3.744 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.100 3.992 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.747 2.038 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.157 2.818 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.510 1.305 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.561 2.081 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.224 1.341 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.345 2.885 -1.886 1.00 0.00 H new ATOM 919 N LYS A 57 -5.401 5.625 -2.883 1.00 0.00 N ATOM 920 CA LYS A 57 -4.691 6.686 -3.543 1.00 0.00 C ATOM 921 C LYS A 57 -3.394 6.946 -2.788 1.00 0.00 C ATOM 922 O LYS A 57 -3.296 6.632 -1.597 1.00 0.00 O ATOM 923 CB LYS A 57 -5.574 7.943 -3.590 1.00 0.00 C ATOM 924 CG LYS A 57 -5.007 9.125 -4.366 1.00 0.00 C ATOM 925 CD LYS A 57 -5.990 10.281 -4.343 1.00 0.00 C ATOM 926 CE LYS A 57 -5.430 11.533 -4.988 1.00 0.00 C ATOM 927 NZ LYS A 57 -6.444 12.596 -5.053 1.00 0.00 N ATOM 0 H LYS A 57 -6.050 5.938 -2.161 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.450 6.408 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.535 7.673 -4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.770 8.265 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.058 9.435 -3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.803 8.831 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.903 9.987 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.264 10.500 -3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.568 11.883 -4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.077 11.301 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.974 13.523 -5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.024 12.471 -5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.053 12.547 -4.211 1.00 0.00 H new ATOM 941 N ALA A 58 -2.425 7.543 -3.476 1.00 0.00 N ATOM 942 CA ALA A 58 -1.081 7.820 -2.949 1.00 0.00 C ATOM 943 C ALA A 58 -1.117 8.588 -1.635 1.00 0.00 C ATOM 944 O ALA A 58 -0.270 8.398 -0.770 1.00 0.00 O ATOM 945 CB ALA A 58 -0.294 8.623 -3.968 1.00 0.00 C ATOM 0 H ALA A 58 -2.550 7.857 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.604 6.858 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.703 8.829 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.211 8.054 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.808 9.564 -4.165 1.00 0.00 H new ATOM 951 N ASP A 59 -2.136 9.415 -1.492 1.00 0.00 N ATOM 952 CA ASP A 59 -2.289 10.304 -0.332 1.00 0.00 C ATOM 953 C ASP A 59 -2.684 9.563 0.932 1.00 0.00 C ATOM 954 O ASP A 59 -2.634 10.123 2.029 1.00 0.00 O ATOM 955 CB ASP A 59 -3.314 11.399 -0.611 1.00 0.00 C ATOM 956 CG ASP A 59 -2.901 12.325 -1.716 1.00 0.00 C ATOM 957 OD1 ASP A 59 -2.151 13.277 -1.459 1.00 0.00 O ATOM 958 OD2 ASP A 59 -3.338 12.134 -2.853 1.00 0.00 O ATOM 0 H ASP A 59 -2.889 9.497 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.308 10.749 -0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.268 10.938 -0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.475 11.978 0.299 1.00 0.00 H new ATOM 963 N ARG A 60 -3.095 8.329 0.789 1.00 0.00 N ATOM 964 CA ARG A 60 -3.472 7.521 1.933 1.00 0.00 C ATOM 965 C ARG A 60 -2.444 6.472 2.229 1.00 0.00 C ATOM 966 O ARG A 60 -2.660 5.592 3.079 1.00 0.00 O ATOM 967 CB ARG A 60 -4.793 6.838 1.727 1.00 0.00 C ATOM 968 CG ARG A 60 -6.013 7.647 2.074 1.00 0.00 C ATOM 969 CD ARG A 60 -7.168 6.698 2.114 1.00 0.00 C ATOM 970 NE ARG A 60 -8.384 7.234 2.732 1.00 0.00 N ATOM 971 CZ ARG A 60 -9.596 7.291 2.139 1.00 0.00 C ATOM 972 NH1 ARG A 60 -9.748 6.916 0.869 1.00 0.00 N ATOM 973 NH2 ARG A 60 -10.650 7.717 2.828 1.00 0.00 N ATOM 0 H ARG A 60 -3.179 7.855 -0.110 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.548 8.211 2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.865 6.538 0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.805 5.925 2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.887 8.142 3.037 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.181 8.429 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.401 6.389 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.866 5.803 2.657 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.309 7.592 3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.945 6.582 0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.668 6.963 0.430 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.542 8.000 3.802 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.567 7.761 2.383 1.00 0.00 H new ATOM 987 N ILE A 61 -1.344 6.547 1.561 1.00 0.00 N ATOM 988 CA ILE A 61 -0.330 5.573 1.731 1.00 0.00 C ATOM 989 C ILE A 61 0.832 6.198 2.468 1.00 0.00 C ATOM 990 O ILE A 61 1.187 7.354 2.222 1.00 0.00 O ATOM 991 CB ILE A 61 0.149 5.012 0.356 1.00 0.00 C ATOM 992 CG1 ILE A 61 -1.037 4.444 -0.433 1.00 0.00 C ATOM 993 CG2 ILE A 61 1.204 3.936 0.548 1.00 0.00 C ATOM 994 CD1 ILE A 61 -0.657 3.843 -1.769 1.00 0.00 C ATOM 0 H ILE A 61 -1.126 7.281 0.887 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.734 4.741 2.307 1.00 0.00 H new ATOM 0 HB ILE A 61 0.590 5.834 -0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.529 3.681 0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.765 5.239 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.522 3.561 -0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.062 4.357 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.786 3.117 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.551 3.464 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.193 4.607 -2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.046 3.025 -1.613 1.00 0.00 H new ATOM 1006 N ILE A 62 1.410 5.455 3.359 1.00 0.00 N ATOM 1007 CA ILE A 62 2.562 5.899 4.051 1.00 0.00 C ATOM 1008 C ILE A 62 3.696 5.110 3.473 1.00 0.00 C ATOM 1009 O ILE A 62 3.809 3.889 3.685 1.00 0.00 O ATOM 1010 CB ILE A 62 2.543 5.665 5.606 1.00 0.00 C ATOM 1011 CG1 ILE A 62 1.284 6.236 6.310 1.00 0.00 C ATOM 1012 CG2 ILE A 62 3.802 6.245 6.239 1.00 0.00 C ATOM 1013 CD1 ILE A 62 0.046 5.343 6.264 1.00 0.00 C ATOM 0 H ILE A 62 1.090 4.523 3.622 1.00 0.00 H new ATOM 0 HA ILE A 62 2.637 6.979 3.927 1.00 0.00 H new ATOM 0 HB ILE A 62 2.511 4.585 5.750 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.530 6.433 7.353 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.037 7.195 5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.778 6.077 7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.680 5.758 5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.850 7.316 6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.776 5.834 6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.236 5.165 5.226 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.265 4.392 6.749 1.00 0.00 H new ATOM 1025 N TRP A 63 4.458 5.773 2.675 1.00 0.00 N ATOM 1026 CA TRP A 63 5.571 5.180 2.015 1.00 0.00 C ATOM 1027 C TRP A 63 6.745 5.172 2.943 1.00 0.00 C ATOM 1028 O TRP A 63 7.086 6.224 3.497 1.00 0.00 O ATOM 1029 CB TRP A 63 5.913 5.981 0.755 1.00 0.00 C ATOM 1030 CG TRP A 63 4.811 5.990 -0.251 1.00 0.00 C ATOM 1031 CD1 TRP A 63 3.764 6.868 -0.329 1.00 0.00 C ATOM 1032 CD2 TRP A 63 4.647 5.069 -1.317 1.00 0.00 C ATOM 1033 NE1 TRP A 63 2.955 6.536 -1.381 1.00 0.00 N ATOM 1034 CE2 TRP A 63 3.480 5.431 -2.006 1.00 0.00 C ATOM 1035 CE3 TRP A 63 5.380 3.967 -1.755 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 3.031 4.727 -3.107 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 4.934 3.268 -2.848 1.00 0.00 C ATOM 1038 CH2 TRP A 63 3.771 3.648 -3.512 1.00 0.00 C ATOM 0 H TRP A 63 4.324 6.761 2.458 1.00 0.00 H new ATOM 0 HA TRP A 63 5.324 4.158 1.729 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.148 7.007 1.037 1.00 0.00 H new ATOM 0 HB3 TRP A 63 6.810 5.563 0.298 1.00 0.00 H new ATOM 0 HD1 TRP A 63 3.601 7.700 0.341 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.104 7.027 -1.656 1.00 0.00 H new ATOM 0 HE3 TRP A 63 6.283 3.669 -1.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 2.131 5.017 -3.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 5.492 2.412 -3.198 1.00 0.00 H new ATOM 0 HH2 TRP A 63 3.444 3.077 -4.369 1.00 0.00 H new ATOM 1049 N PRO A 64 7.353 4.001 3.201 1.00 0.00 N ATOM 1050 CA PRO A 64 8.553 3.953 3.993 1.00 0.00 C ATOM 1051 C PRO A 64 9.644 4.691 3.244 1.00 0.00 C ATOM 1052 O PRO A 64 10.060 4.281 2.133 1.00 0.00 O ATOM 1053 CB PRO A 64 8.878 2.458 4.100 1.00 0.00 C ATOM 1054 CG PRO A 64 7.606 1.768 3.758 1.00 0.00 C ATOM 1055 CD PRO A 64 6.908 2.664 2.782 1.00 0.00 C ATOM 0 HA PRO A 64 8.454 4.412 4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.677 2.177 3.414 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.212 2.197 5.104 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.798 0.788 3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.996 1.607 4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.195 2.445 1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.824 2.561 2.840 1.00 0.00 H new ATOM 1063 N LEU A 65 10.107 5.737 3.856 1.00 0.00 N ATOM 1064 CA LEU A 65 11.040 6.658 3.274 1.00 0.00 C ATOM 1065 C LEU A 65 11.279 7.721 4.322 1.00 0.00 C ATOM 1066 O LEU A 65 10.592 8.759 4.331 1.00 0.00 O ATOM 1067 CB LEU A 65 10.426 7.316 1.997 1.00 0.00 C ATOM 1068 CG LEU A 65 11.378 7.965 0.962 1.00 0.00 C ATOM 1069 CD1 LEU A 65 12.226 9.091 1.545 1.00 0.00 C ATOM 1070 CD2 LEU A 65 12.245 6.911 0.320 1.00 0.00 C ATOM 0 H LEU A 65 9.837 5.984 4.808 1.00 0.00 H new ATOM 0 HA LEU A 65 11.962 6.156 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.846 6.553 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.724 8.082 2.325 1.00 0.00 H new ATOM 0 HG LEU A 65 10.749 8.427 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.870 9.502 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.574 9.876 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.841 8.701 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.910 7.379 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.838 6.412 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.614 6.179 -0.185 1.00 0.00 H new ATOM 1082 N ASP A 66 12.123 7.399 5.291 1.00 0.00 N ATOM 1083 CA ASP A 66 12.522 8.337 6.369 1.00 0.00 C ATOM 1084 C ASP A 66 11.410 8.575 7.427 1.00 0.00 C ATOM 1085 O ASP A 66 11.715 8.746 8.610 1.00 0.00 O ATOM 1086 CB ASP A 66 13.065 9.656 5.769 1.00 0.00 C ATOM 1087 CG ASP A 66 13.291 10.762 6.767 1.00 0.00 C ATOM 1088 OD1 ASP A 66 14.243 10.686 7.561 1.00 0.00 O ATOM 1089 OD2 ASP A 66 12.566 11.780 6.707 1.00 0.00 O ATOM 0 H ASP A 66 12.560 6.481 5.366 1.00 0.00 H new ATOM 0 HA ASP A 66 13.331 7.860 6.922 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.007 9.447 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.366 10.008 5.011 1.00 0.00 H new ATOM 1094 N LYS A 67 10.144 8.550 6.978 1.00 0.00 N ATOM 1095 CA LYS A 67 8.927 8.725 7.799 1.00 0.00 C ATOM 1096 C LYS A 67 8.727 10.209 8.157 1.00 0.00 C ATOM 1097 O LYS A 67 9.690 10.948 8.356 1.00 0.00 O ATOM 1098 CB LYS A 67 8.934 7.817 9.068 1.00 0.00 C ATOM 1099 CG LYS A 67 7.609 7.738 9.838 1.00 0.00 C ATOM 1100 CD LYS A 67 6.527 7.028 9.028 1.00 0.00 C ATOM 1101 CE LYS A 67 5.216 6.869 9.804 1.00 0.00 C ATOM 1102 NZ LYS A 67 5.372 6.087 11.056 1.00 0.00 N ATOM 0 H LYS A 67 9.928 8.401 5.992 1.00 0.00 H new ATOM 0 HA LYS A 67 8.075 8.403 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.220 6.809 8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.706 8.179 9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.765 7.209 10.778 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.274 8.744 10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.337 7.589 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.889 6.044 8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.822 7.856 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.480 6.379 9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.434 5.854 11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.892 5.209 10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.900 6.650 11.753 1.00 0.00 H new ATOM 1116 N GLY A 68 7.489 10.651 8.186 1.00 0.00 N ATOM 1117 CA GLY A 68 7.204 12.028 8.496 1.00 0.00 C ATOM 1118 C GLY A 68 6.767 12.792 7.281 1.00 0.00 C ATOM 1119 O GLY A 68 5.895 13.659 7.365 1.00 0.00 O ATOM 0 H GLY A 68 6.668 10.076 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.424 12.076 9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.092 12.497 8.921 1.00 0.00 H new ATOM 1123 N LEU A 69 7.409 12.483 6.141 1.00 0.00 N ATOM 1124 CA LEU A 69 7.150 13.113 4.835 1.00 0.00 C ATOM 1125 C LEU A 69 7.550 14.583 4.829 1.00 0.00 C ATOM 1126 O LEU A 69 7.302 15.316 3.868 1.00 0.00 O ATOM 1127 CB LEU A 69 5.697 12.915 4.353 1.00 0.00 C ATOM 1128 CG LEU A 69 5.310 11.505 3.837 1.00 0.00 C ATOM 1129 CD1 LEU A 69 5.285 10.455 4.946 1.00 0.00 C ATOM 1130 CD2 LEU A 69 3.981 11.549 3.098 1.00 0.00 C ATOM 0 H LEU A 69 8.139 11.772 6.101 1.00 0.00 H new ATOM 0 HA LEU A 69 7.785 12.597 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.030 13.169 5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.505 13.632 3.555 1.00 0.00 H new ATOM 0 HG LEU A 69 6.090 11.200 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.008 9.488 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.273 10.383 5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.556 10.743 5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.728 10.549 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.201 11.903 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.060 12.226 2.247 1.00 0.00 H new ATOM 1142 N GLU A 70 8.206 14.986 5.892 1.00 0.00 N ATOM 1143 CA GLU A 70 8.684 16.319 6.075 1.00 0.00 C ATOM 1144 C GLU A 70 9.783 16.281 7.107 1.00 0.00 C ATOM 1145 O GLU A 70 9.548 15.921 8.264 1.00 0.00 O ATOM 1146 CB GLU A 70 7.525 17.262 6.511 1.00 0.00 C ATOM 1147 CG GLU A 70 7.866 18.766 6.635 1.00 0.00 C ATOM 1148 CD GLU A 70 8.727 19.127 7.835 1.00 0.00 C ATOM 1149 OE1 GLU A 70 8.203 19.209 8.949 1.00 0.00 O ATOM 1150 OE2 GLU A 70 9.937 19.346 7.681 1.00 0.00 O ATOM 0 H GLU A 70 8.424 14.368 6.674 1.00 0.00 H new ATOM 0 HA GLU A 70 9.077 16.714 5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.711 17.155 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.149 16.917 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.380 19.084 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.936 19.332 6.689 1.00 0.00 H new ATOM 1157 N HIS A 71 10.970 16.578 6.673 1.00 0.00 N ATOM 1158 CA HIS A 71 12.117 16.736 7.531 1.00 0.00 C ATOM 1159 C HIS A 71 13.018 17.782 6.962 1.00 0.00 C ATOM 1160 O HIS A 71 14.030 17.490 6.349 1.00 0.00 O ATOM 1161 CB HIS A 71 12.887 15.433 7.835 1.00 0.00 C ATOM 1162 CG HIS A 71 12.283 14.611 8.934 1.00 0.00 C ATOM 1163 ND1 HIS A 71 11.949 13.288 8.803 1.00 0.00 N ATOM 1164 CD2 HIS A 71 11.979 14.943 10.207 1.00 0.00 C ATOM 1165 CE1 HIS A 71 11.461 12.845 9.939 1.00 0.00 C ATOM 1166 NE2 HIS A 71 11.468 13.827 10.810 1.00 0.00 N ATOM 0 H HIS A 71 11.179 16.722 5.685 1.00 0.00 H new ATOM 0 HA HIS A 71 11.735 17.051 8.502 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.934 14.830 6.928 1.00 0.00 H new ATOM 0 HB3 HIS A 71 13.913 15.684 8.104 1.00 0.00 H new ATOM 0 HD1 HIS A 71 12.062 12.733 7.954 1.00 0.00 H new ATOM 0 HD2 HIS A 71 12.114 15.912 10.665 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.112 11.840 10.125 1.00 0.00 H new ATOM 1175 N HIS A 72 12.600 19.012 7.104 1.00 0.00 N ATOM 1176 CA HIS A 72 13.341 20.167 6.593 1.00 0.00 C ATOM 1177 C HIS A 72 14.674 20.357 7.317 1.00 0.00 C ATOM 1178 O HIS A 72 15.539 21.085 6.849 1.00 0.00 O ATOM 1179 CB HIS A 72 12.488 21.462 6.657 1.00 0.00 C ATOM 1180 CG HIS A 72 12.109 21.932 8.047 1.00 0.00 C ATOM 1181 ND1 HIS A 72 11.007 21.473 8.723 1.00 0.00 N ATOM 1182 CD2 HIS A 72 12.687 22.838 8.862 1.00 0.00 C ATOM 1183 CE1 HIS A 72 10.916 22.075 9.885 1.00 0.00 C ATOM 1184 NE2 HIS A 72 11.926 22.908 9.994 1.00 0.00 N ATOM 0 H HIS A 72 11.731 19.257 7.579 1.00 0.00 H new ATOM 0 HA HIS A 72 13.564 19.961 5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 72 13.037 22.262 6.160 1.00 0.00 H new ATOM 0 HB3 HIS A 72 11.574 21.301 6.086 1.00 0.00 H new ATOM 0 HD1 HIS A 72 10.356 20.769 8.374 1.00 0.00 H new ATOM 0 HD2 HIS A 72 13.584 23.403 8.658 1.00 0.00 H new ATOM 0 HE1 HIS A 72 10.145 21.914 10.624 1.00 0.00 H new ATOM 1193 N HIS A 73 14.829 19.718 8.461 1.00 0.00 N ATOM 1194 CA HIS A 73 16.065 19.817 9.221 1.00 0.00 C ATOM 1195 C HIS A 73 17.101 18.803 8.712 1.00 0.00 C ATOM 1196 O HIS A 73 18.280 18.893 9.040 1.00 0.00 O ATOM 1197 CB HIS A 73 15.803 19.638 10.737 1.00 0.00 C ATOM 1198 CG HIS A 73 17.023 19.826 11.609 1.00 0.00 C ATOM 1199 ND1 HIS A 73 17.545 18.838 12.407 1.00 0.00 N ATOM 1200 CD2 HIS A 73 17.816 20.906 11.795 1.00 0.00 C ATOM 1201 CE1 HIS A 73 18.601 19.298 13.040 1.00 0.00 C ATOM 1202 NE2 HIS A 73 18.788 20.547 12.687 1.00 0.00 N ATOM 0 H HIS A 73 14.116 19.125 8.886 1.00 0.00 H new ATOM 0 HA HIS A 73 16.473 20.817 9.073 1.00 0.00 H new ATOM 0 HB2 HIS A 73 15.037 20.349 11.047 1.00 0.00 H new ATOM 0 HB3 HIS A 73 15.400 18.640 10.908 1.00 0.00 H new ATOM 0 HD2 HIS A 73 17.702 21.872 11.326 1.00 0.00 H new ATOM 0 HE1 HIS A 73 19.212 18.741 13.734 1.00 0.00 H new ATOM 0 HE2 HIS A 73 19.537 21.152 13.023 1.00 0.00 H new ATOM 1211 N HIS A 74 16.671 17.871 7.899 1.00 0.00 N ATOM 1212 CA HIS A 74 17.578 16.884 7.361 1.00 0.00 C ATOM 1213 C HIS A 74 17.242 16.617 5.905 1.00 0.00 C ATOM 1214 O HIS A 74 16.258 15.948 5.591 1.00 0.00 O ATOM 1215 CB HIS A 74 17.556 15.589 8.188 1.00 0.00 C ATOM 1216 CG HIS A 74 18.550 14.561 7.731 1.00 0.00 C ATOM 1217 ND1 HIS A 74 18.196 13.373 7.138 1.00 0.00 N ATOM 1218 CD2 HIS A 74 19.902 14.559 7.786 1.00 0.00 C ATOM 1219 CE1 HIS A 74 19.284 12.692 6.850 1.00 0.00 C ATOM 1220 NE2 HIS A 74 20.331 13.389 7.232 1.00 0.00 N ATOM 0 H HIS A 74 15.702 17.773 7.595 1.00 0.00 H new ATOM 0 HA HIS A 74 18.593 17.278 7.418 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.753 15.832 9.232 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.556 15.158 8.144 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.526 15.340 8.194 1.00 0.00 H new ATOM 0 HE1 HIS A 74 19.312 11.721 6.378 1.00 0.00 H new ATOM 0 HE2 HIS A 74 21.305 13.102 7.131 1.00 0.00 H new ATOM 1229 N HIS A 75 18.054 17.161 5.040 1.00 0.00 N ATOM 1230 CA HIS A 75 17.867 17.057 3.610 1.00 0.00 C ATOM 1231 C HIS A 75 18.004 15.603 3.161 1.00 0.00 C ATOM 1232 O HIS A 75 18.867 14.869 3.649 1.00 0.00 O ATOM 1233 CB HIS A 75 18.893 17.937 2.884 1.00 0.00 C ATOM 1234 CG HIS A 75 18.616 18.102 1.424 1.00 0.00 C ATOM 1235 ND1 HIS A 75 19.242 17.372 0.448 1.00 0.00 N ATOM 1236 CD2 HIS A 75 17.758 18.924 0.782 1.00 0.00 C ATOM 1237 CE1 HIS A 75 18.780 17.738 -0.724 1.00 0.00 C ATOM 1238 NE2 HIS A 75 17.880 18.673 -0.548 1.00 0.00 N ATOM 0 H HIS A 75 18.878 17.698 5.308 1.00 0.00 H new ATOM 0 HA HIS A 75 16.864 17.403 3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 75 18.913 18.920 3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 75 19.885 17.503 3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 75 17.098 19.646 1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 75 19.091 17.335 -1.677 1.00 0.00 H new ATOM 0 HE2 HIS A 75 17.356 19.138 -1.289 1.00 0.00 H new ATOM 1247 N HIS A 76 17.150 15.204 2.260 1.00 0.00 N ATOM 1248 CA HIS A 76 17.141 13.861 1.746 1.00 0.00 C ATOM 1249 C HIS A 76 17.888 13.848 0.428 1.00 0.00 C ATOM 1250 O HIS A 76 19.110 13.682 0.428 1.00 0.00 O ATOM 1251 CB HIS A 76 15.692 13.370 1.531 1.00 0.00 C ATOM 1252 CG HIS A 76 14.818 13.446 2.752 1.00 0.00 C ATOM 1253 ND1 HIS A 76 13.784 14.349 2.886 1.00 0.00 N ATOM 1254 CD2 HIS A 76 14.814 12.718 3.887 1.00 0.00 C ATOM 1255 CE1 HIS A 76 13.192 14.172 4.042 1.00 0.00 C ATOM 1256 NE2 HIS A 76 13.791 13.190 4.670 1.00 0.00 N ATOM 1257 OXT HIS A 76 17.254 14.043 -0.633 1.00 0.00 O ATOM 0 H HIS A 76 16.433 15.807 1.857 1.00 0.00 H new ATOM 0 HA HIS A 76 17.622 13.194 2.461 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.236 13.961 0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 76 15.720 12.337 1.184 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.490 11.913 4.134 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.352 14.740 4.414 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.538 12.834 5.592 1.00 0.00 H new TER 1266 HIS A 76