USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 505 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 59 MET CE :methyl -132:sc= -8.78! (180deg=-3.17!) USER MOD Set 1.2: A 70 GLN : amide:sc= -10.9! C(o=-20!,f=-32!) USER MOD Set 2.1: A 14 CYS SG : rot 31:sc= -1.26 USER MOD Set 2.2: A 17 CYS SG : rot 134:sc= -1.29 USER MOD Set 2.3: A 25 SER OG : rot 110:sc= -0.107 USER MOD Set 2.4: A 52 HIS : no HE2:sc= -9.08! C(o=-14!,f=-17!) USER MOD Set 2.5: A 55 CYS SG : rot 180:sc= -1.84 USER MOD Set 3.1: A 47 CYS SG : rot -90:sc= -4.7! USER MOD Set 3.2: A 49 HIS : no HD1:sc= -10.7! C(o=-15!,f=-16!) USER MOD Set 3.3: A 71 CYS SG : rot 173:sc= -1.16 USER MOD Set 3.4: A 74 CYS SG : rot 180:sc= 0.172 USER MOD Set 3.5: A 76 THR OG1 : rot 100:sc= 1.31 USER MOD Set 4.1: A 28 SER OG : rot -43:sc= -0.0633 USER MOD Set 4.2: A 38 SER OG : rot 180:sc=-0.00226 USER MOD Single : A 3 THR OG1 : rot -140:sc= -0.687 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 160:sc= -0.125 (180deg=-0.63) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0416 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.441 USER MOD Single : A 31 THR OG1 : rot -90:sc= 0.482 USER MOD Single : A 43 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-0.9) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -71:sc= 0.702 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 64 ASN : amide:sc= -3.63! C(o=-3.6!,f=-10!) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= 0.28 (180deg=0.221) USER MOD Single : A 68 SER OG : rot 180:sc= -1.84! USER MOD Single : A 73 SER OG : rot 180:sc= -0.964 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 3.143 -0.438 -3.979 1.00 0.00 N ATOM 37 CA THR A 3 2.257 -1.561 -4.259 1.00 0.00 C ATOM 38 C THR A 3 1.412 -1.299 -5.500 1.00 0.00 C ATOM 39 O THR A 3 0.959 -0.177 -5.728 1.00 0.00 O ATOM 40 CB THR A 3 1.325 -1.850 -3.068 1.00 0.00 C ATOM 41 OG1 THR A 3 0.152 -1.033 -3.154 1.00 0.00 O ATOM 42 CG2 THR A 3 2.035 -1.590 -1.748 1.00 0.00 C ATOM 0 HA THR A 3 2.892 -2.430 -4.433 1.00 0.00 H new ATOM 0 HB THR A 3 1.039 -2.901 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.090 -0.713 -2.260 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.356 -1.801 -0.922 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.910 -2.235 -1.672 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.348 -0.547 -1.703 1.00 0.00 H new ATOM 50 N GLU A 4 1.202 -2.341 -6.298 1.00 0.00 N ATOM 51 CA GLU A 4 0.410 -2.221 -7.517 1.00 0.00 C ATOM 52 C GLU A 4 -0.994 -2.783 -7.311 1.00 0.00 C ATOM 53 O GLU A 4 -1.179 -3.994 -7.213 1.00 0.00 O ATOM 54 CB GLU A 4 1.099 -2.950 -8.673 1.00 0.00 C ATOM 55 CG GLU A 4 0.345 -2.854 -9.989 1.00 0.00 C ATOM 56 CD GLU A 4 0.614 -4.033 -10.903 1.00 0.00 C ATOM 57 OE1 GLU A 4 -0.198 -4.981 -10.902 1.00 0.00 O ATOM 58 OE2 GLU A 4 1.636 -4.007 -11.619 1.00 0.00 O ATOM 0 H GLU A 4 1.569 -3.277 -6.123 1.00 0.00 H new ATOM 0 HA GLU A 4 0.326 -1.162 -7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.099 -2.538 -8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.219 -4.001 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.724 -2.792 -9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.627 -1.933 -10.498 1.00 0.00 H new ATOM 65 N GLU A 5 -1.977 -1.891 -7.246 1.00 0.00 N ATOM 66 CA GLU A 5 -3.364 -2.298 -7.050 1.00 0.00 C ATOM 67 C GLU A 5 -3.687 -3.542 -7.871 1.00 0.00 C ATOM 68 O GLU A 5 -3.270 -3.666 -9.024 1.00 0.00 O ATOM 69 CB GLU A 5 -4.312 -1.159 -7.434 1.00 0.00 C ATOM 70 CG GLU A 5 -5.588 -1.125 -6.609 1.00 0.00 C ATOM 71 CD GLU A 5 -6.376 0.154 -6.808 1.00 0.00 C ATOM 72 OE1 GLU A 5 -7.144 0.232 -7.790 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.226 1.079 -5.981 1.00 0.00 O ATOM 0 H GLU A 5 -1.840 -0.883 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.501 -2.535 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.790 -0.209 -7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.573 -1.255 -8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.212 -1.977 -6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.337 -1.232 -5.554 1.00 0.00 H new ATOM 80 N LEU A 6 -4.432 -4.463 -7.270 1.00 0.00 N ATOM 81 CA LEU A 6 -4.812 -5.700 -7.945 1.00 0.00 C ATOM 82 C LEU A 6 -6.295 -5.694 -8.298 1.00 0.00 C ATOM 83 O LEU A 6 -7.154 -5.587 -7.422 1.00 0.00 O ATOM 84 CB LEU A 6 -4.492 -6.905 -7.059 1.00 0.00 C ATOM 85 CG LEU A 6 -3.205 -6.813 -6.238 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.962 -8.108 -5.480 1.00 0.00 C ATOM 87 CD2 LEU A 6 -2.021 -6.487 -7.136 1.00 0.00 C ATOM 0 H LEU A 6 -4.785 -4.377 -6.317 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.238 -5.773 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.326 -7.058 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.433 -7.790 -7.692 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.317 -6.007 -5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.042 -8.024 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.798 -8.298 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.872 -8.932 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.114 -6.426 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.907 -7.270 -7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.193 -5.532 -7.632 1.00 0.00 H new ATOM 99 N LYS A 7 -6.592 -5.812 -9.589 1.00 0.00 N ATOM 100 CA LYS A 7 -7.972 -5.824 -10.060 1.00 0.00 C ATOM 101 C LYS A 7 -8.848 -6.682 -9.153 1.00 0.00 C ATOM 102 O LYS A 7 -10.064 -6.500 -9.095 1.00 0.00 O ATOM 103 CB LYS A 7 -8.037 -6.348 -11.496 1.00 0.00 C ATOM 104 CG LYS A 7 -8.254 -5.258 -12.531 1.00 0.00 C ATOM 105 CD LYS A 7 -7.231 -5.342 -13.651 1.00 0.00 C ATOM 106 CE LYS A 7 -7.605 -6.409 -14.669 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.439 -6.813 -15.503 1.00 0.00 N ATOM 0 H LYS A 7 -5.894 -5.901 -10.328 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.348 -4.801 -10.036 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.110 -6.875 -11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.845 -7.076 -11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.258 -5.344 -12.947 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.190 -4.281 -12.051 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.154 -4.375 -14.148 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.249 -5.565 -13.233 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.001 -7.282 -14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.400 -6.033 -15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.735 -7.541 -16.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.077 -5.985 -16.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.690 -7.195 -14.891 1.00 0.00 H new ATOM 121 N VAL A 8 -8.223 -7.619 -8.446 1.00 0.00 N ATOM 122 CA VAL A 8 -8.946 -8.503 -7.541 1.00 0.00 C ATOM 123 C VAL A 8 -8.056 -8.960 -6.390 1.00 0.00 C ATOM 124 O VAL A 8 -6.828 -8.935 -6.476 1.00 0.00 O ATOM 125 CB VAL A 8 -9.487 -9.742 -8.279 1.00 0.00 C ATOM 126 CG1 VAL A 8 -10.985 -9.613 -8.513 1.00 0.00 C ATOM 127 CG2 VAL A 8 -8.749 -9.942 -9.595 1.00 0.00 C ATOM 0 H VAL A 8 -7.217 -7.785 -8.483 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.784 -7.931 -7.144 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.315 -10.619 -7.655 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.349 -10.498 -9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.496 -9.521 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.184 -8.727 -9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.144 -10.822 -10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.888 -9.065 -10.227 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.686 -10.083 -9.398 1.00 0.00 H new ATOM 137 N PRO A 9 -8.687 -9.389 -5.288 1.00 0.00 N ATOM 138 CA PRO A 9 -7.971 -9.862 -4.099 1.00 0.00 C ATOM 139 C PRO A 9 -7.270 -11.195 -4.335 1.00 0.00 C ATOM 140 O PRO A 9 -7.831 -12.123 -4.918 1.00 0.00 O ATOM 141 CB PRO A 9 -9.080 -10.018 -3.056 1.00 0.00 C ATOM 142 CG PRO A 9 -10.320 -10.242 -3.852 1.00 0.00 C ATOM 143 CD PRO A 9 -10.148 -9.448 -5.117 1.00 0.00 C ATOM 0 HA PRO A 9 -7.179 -9.175 -3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.881 -10.857 -2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.165 -9.128 -2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.457 -11.301 -4.071 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.202 -9.914 -3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.632 -9.933 -5.965 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.583 -8.452 -5.028 1.00 0.00 H new ATOM 151 N PRO A 10 -6.015 -11.295 -3.874 1.00 0.00 N ATOM 152 CA PRO A 10 -5.212 -12.512 -4.023 1.00 0.00 C ATOM 153 C PRO A 10 -5.726 -13.656 -3.156 1.00 0.00 C ATOM 154 O PRO A 10 -6.576 -14.436 -3.583 1.00 0.00 O ATOM 155 CB PRO A 10 -3.819 -12.075 -3.561 1.00 0.00 C ATOM 156 CG PRO A 10 -4.066 -10.932 -2.639 1.00 0.00 C ATOM 157 CD PRO A 10 -5.284 -10.228 -3.169 1.00 0.00 C ATOM 0 HA PRO A 10 -5.238 -12.895 -5.043 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.298 -12.887 -3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.198 -11.775 -4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.230 -11.281 -1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.208 -10.260 -2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.880 -9.796 -2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.016 -9.413 -3.841 1.00 0.00 H new ATOM 165 N ASP A 11 -5.205 -13.750 -1.938 1.00 0.00 N ATOM 166 CA ASP A 11 -5.613 -14.798 -1.010 1.00 0.00 C ATOM 167 C ASP A 11 -4.678 -14.852 0.195 1.00 0.00 C ATOM 168 O ASP A 11 -4.415 -15.923 0.740 1.00 0.00 O ATOM 169 CB ASP A 11 -5.633 -16.155 -1.717 1.00 0.00 C ATOM 170 CG ASP A 11 -7.031 -16.575 -2.125 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.155 -17.429 -3.027 1.00 0.00 O ATOM 172 OD2 ASP A 11 -8.002 -16.050 -1.540 1.00 0.00 O ATOM 0 H ASP A 11 -4.499 -13.113 -1.570 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.618 -14.566 -0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.998 -16.110 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.208 -16.911 -1.057 1.00 0.00 H new ATOM 177 N GLU A 12 -4.180 -13.689 0.603 1.00 0.00 N ATOM 178 CA GLU A 12 -3.273 -13.605 1.742 1.00 0.00 C ATOM 179 C GLU A 12 -4.010 -13.129 2.990 1.00 0.00 C ATOM 180 O GLU A 12 -3.740 -13.591 4.099 1.00 0.00 O ATOM 181 CB GLU A 12 -2.113 -12.658 1.429 1.00 0.00 C ATOM 182 CG GLU A 12 -0.921 -12.829 2.358 1.00 0.00 C ATOM 183 CD GLU A 12 -0.936 -11.845 3.511 1.00 0.00 C ATOM 184 OE1 GLU A 12 -0.178 -12.057 4.481 1.00 0.00 O ATOM 185 OE2 GLU A 12 -1.705 -10.862 3.445 1.00 0.00 O ATOM 0 H GLU A 12 -4.389 -12.793 0.163 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.877 -14.602 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.789 -12.821 0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.468 -11.629 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.915 -13.845 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.000 -12.702 1.789 1.00 0.00 H new ATOM 192 N ASP A 13 -4.943 -12.201 2.802 1.00 0.00 N ATOM 193 CA ASP A 13 -5.719 -11.661 3.911 1.00 0.00 C ATOM 194 C ASP A 13 -4.912 -10.628 4.689 1.00 0.00 C ATOM 195 O ASP A 13 -3.785 -10.893 5.110 1.00 0.00 O ATOM 196 CB ASP A 13 -6.164 -12.787 4.846 1.00 0.00 C ATOM 197 CG ASP A 13 -5.500 -12.708 6.206 1.00 0.00 C ATOM 198 OD1 ASP A 13 -4.431 -13.330 6.382 1.00 0.00 O ATOM 199 OD2 ASP A 13 -6.046 -12.021 7.094 1.00 0.00 O ATOM 0 H ASP A 13 -5.180 -11.808 1.891 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.601 -11.170 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.246 -12.745 4.971 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.933 -13.748 4.388 1.00 0.00 H new ATOM 204 N CYS A 14 -5.493 -9.447 4.875 1.00 0.00 N ATOM 205 CA CYS A 14 -4.827 -8.372 5.601 1.00 0.00 C ATOM 206 C CYS A 14 -4.211 -8.891 6.897 1.00 0.00 C ATOM 207 O CYS A 14 -4.741 -9.807 7.525 1.00 0.00 O ATOM 208 CB CYS A 14 -5.818 -7.247 5.909 1.00 0.00 C ATOM 209 SG CYS A 14 -5.102 -5.867 6.859 1.00 0.00 S ATOM 0 H CYS A 14 -6.424 -9.210 4.533 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.028 -7.982 4.971 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.216 -6.861 4.971 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.659 -7.660 6.466 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.843 -5.742 6.561 1.00 0.00 H new ATOM 214 N ILE A 15 -3.089 -8.298 7.291 1.00 0.00 N ATOM 215 CA ILE A 15 -2.402 -8.698 8.512 1.00 0.00 C ATOM 216 C ILE A 15 -2.700 -7.732 9.653 1.00 0.00 C ATOM 217 O ILE A 15 -2.595 -8.090 10.826 1.00 0.00 O ATOM 218 CB ILE A 15 -0.878 -8.771 8.302 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.490 -8.109 6.978 1.00 0.00 C ATOM 220 CG2 ILE A 15 -0.407 -10.217 8.333 1.00 0.00 C ATOM 221 CD1 ILE A 15 1.003 -8.025 6.758 1.00 0.00 C ATOM 0 H ILE A 15 -2.637 -7.539 6.782 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.773 -9.689 8.772 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.390 -8.232 9.114 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.939 -8.668 6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.910 -7.104 6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.672 -10.251 8.183 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.654 -10.659 9.298 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.902 -10.778 7.540 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.203 -7.545 5.800 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.456 -7.441 7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.428 -9.029 6.756 1.00 0.00 H new ATOM 233 N ILE A 16 -3.075 -6.506 9.301 1.00 0.00 N ATOM 234 CA ILE A 16 -3.392 -5.490 10.296 1.00 0.00 C ATOM 235 C ILE A 16 -4.623 -5.879 11.107 1.00 0.00 C ATOM 236 O ILE A 16 -4.523 -6.199 12.292 1.00 0.00 O ATOM 237 CB ILE A 16 -3.636 -4.117 9.640 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.689 -3.919 8.454 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.456 -3.003 10.661 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.931 -2.611 8.498 1.00 0.00 C ATOM 0 H ILE A 16 -3.166 -6.193 8.334 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.530 -5.419 10.960 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.661 -4.083 9.272 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.975 -4.742 8.428 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.264 -3.966 7.529 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.632 -2.039 10.183 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.167 -3.138 11.476 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.441 -3.032 11.056 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.280 -2.539 7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.637 -1.781 8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.329 -2.570 9.406 1.00 0.00 H new ATOM 252 N CYS A 17 -5.783 -5.850 10.461 1.00 0.00 N ATOM 253 CA CYS A 17 -7.035 -6.202 11.120 1.00 0.00 C ATOM 254 C CYS A 17 -7.388 -7.666 10.874 1.00 0.00 C ATOM 255 O CYS A 17 -8.545 -8.066 11.001 1.00 0.00 O ATOM 256 CB CYS A 17 -8.168 -5.302 10.623 1.00 0.00 C ATOM 257 SG CYS A 17 -8.550 -5.499 8.853 1.00 0.00 S ATOM 0 H CYS A 17 -5.882 -5.586 9.481 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.906 -6.054 12.192 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.066 -5.512 11.203 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.902 -4.262 10.813 1.00 0.00 H new ATOM 0 HG CYS A 17 -9.837 -5.587 8.694 1.00 0.00 H new ATOM 262 N MET A 18 -6.382 -8.460 10.520 1.00 0.00 N ATOM 263 CA MET A 18 -6.586 -9.880 10.257 1.00 0.00 C ATOM 264 C MET A 18 -7.949 -10.124 9.617 1.00 0.00 C ATOM 265 O MET A 18 -8.850 -10.674 10.248 1.00 0.00 O ATOM 266 CB MET A 18 -6.467 -10.682 11.554 1.00 0.00 C ATOM 267 CG MET A 18 -6.648 -9.842 12.807 1.00 0.00 C ATOM 268 SD MET A 18 -6.379 -10.785 14.321 1.00 0.00 S ATOM 269 CE MET A 18 -4.628 -11.140 14.191 1.00 0.00 C ATOM 0 H MET A 18 -5.418 -8.144 10.409 1.00 0.00 H new ATOM 0 HA MET A 18 -5.814 -10.210 9.562 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.212 -11.478 11.549 1.00 0.00 H new ATOM 0 HB3 MET A 18 -5.489 -11.162 11.586 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.955 -9.001 12.779 1.00 0.00 H new ATOM 0 HG3 MET A 18 -7.655 -9.425 12.818 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.234 -11.392 15.175 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.476 -11.980 13.514 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.107 -10.264 13.805 1.00 0.00 H new ATOM 279 N GLU A 19 -8.091 -9.711 8.362 1.00 0.00 N ATOM 280 CA GLU A 19 -9.345 -9.885 7.638 1.00 0.00 C ATOM 281 C GLU A 19 -9.091 -10.402 6.225 1.00 0.00 C ATOM 282 O GLU A 19 -7.949 -10.647 5.837 1.00 0.00 O ATOM 283 CB GLU A 19 -10.113 -8.563 7.578 1.00 0.00 C ATOM 284 CG GLU A 19 -11.320 -8.517 8.499 1.00 0.00 C ATOM 285 CD GLU A 19 -12.539 -9.189 7.898 1.00 0.00 C ATOM 286 OE1 GLU A 19 -13.394 -9.667 8.671 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.636 -9.238 6.653 1.00 0.00 O ATOM 0 H GLU A 19 -7.354 -9.254 7.825 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.944 -10.621 8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.437 -7.748 7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.442 -8.390 6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.071 -9.002 9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.558 -7.478 8.728 1.00 0.00 H new ATOM 294 N LYS A 20 -10.164 -10.566 5.459 1.00 0.00 N ATOM 295 CA LYS A 20 -10.060 -11.053 4.089 1.00 0.00 C ATOM 296 C LYS A 20 -9.672 -9.926 3.139 1.00 0.00 C ATOM 297 O LYS A 20 -10.308 -8.871 3.115 1.00 0.00 O ATOM 298 CB LYS A 20 -11.386 -11.674 3.645 1.00 0.00 C ATOM 299 CG LYS A 20 -11.582 -13.101 4.129 1.00 0.00 C ATOM 300 CD LYS A 20 -12.761 -13.767 3.439 1.00 0.00 C ATOM 301 CE LYS A 20 -13.487 -14.721 4.375 1.00 0.00 C ATOM 302 NZ LYS A 20 -14.676 -15.339 3.723 1.00 0.00 N ATOM 0 H LYS A 20 -11.117 -10.368 5.764 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.281 -11.814 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.207 -11.059 4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.439 -11.658 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.676 -13.678 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.742 -13.102 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.455 -13.005 3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.411 -14.312 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.802 -15.504 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.802 -14.183 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.144 -15.983 4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.342 -14.593 3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.373 -15.873 2.884 1.00 0.00 H new ATOM 316 N LEU A 21 -8.623 -10.154 2.354 1.00 0.00 N ATOM 317 CA LEU A 21 -8.150 -9.157 1.400 1.00 0.00 C ATOM 318 C LEU A 21 -9.224 -8.845 0.362 1.00 0.00 C ATOM 319 O LEU A 21 -9.092 -7.901 -0.417 1.00 0.00 O ATOM 320 CB LEU A 21 -6.880 -9.650 0.706 1.00 0.00 C ATOM 321 CG LEU A 21 -5.561 -9.316 1.402 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.381 -9.769 0.556 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.473 -7.823 1.688 1.00 0.00 C ATOM 0 H LEU A 21 -8.085 -11.020 2.360 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.925 -8.242 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.946 -10.733 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.853 -9.230 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.527 -9.851 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.451 -9.523 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.436 -10.847 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.409 -9.263 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.528 -7.603 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.529 -7.269 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.299 -7.527 2.334 1.00 0.00 H new ATOM 335 N SER A 22 -10.286 -9.644 0.359 1.00 0.00 N ATOM 336 CA SER A 22 -11.381 -9.454 -0.585 1.00 0.00 C ATOM 337 C SER A 22 -12.410 -8.471 -0.033 1.00 0.00 C ATOM 338 O SER A 22 -12.958 -7.649 -0.769 1.00 0.00 O ATOM 339 CB SER A 22 -12.054 -10.793 -0.894 1.00 0.00 C ATOM 340 OG SER A 22 -13.142 -11.032 -0.017 1.00 0.00 O ATOM 0 H SER A 22 -10.411 -10.428 0.999 1.00 0.00 H new ATOM 0 HA SER A 22 -10.967 -9.042 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.407 -10.797 -1.925 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.326 -11.599 -0.803 1.00 0.00 H new ATOM 0 HG SER A 22 -13.556 -11.893 -0.236 1.00 0.00 H new ATOM 346 N THR A 23 -12.666 -8.560 1.268 1.00 0.00 N ATOM 347 CA THR A 23 -13.628 -7.681 1.919 1.00 0.00 C ATOM 348 C THR A 23 -13.206 -6.220 1.802 1.00 0.00 C ATOM 349 O THR A 23 -13.527 -5.550 0.821 1.00 0.00 O ATOM 350 CB THR A 23 -13.795 -8.037 3.409 1.00 0.00 C ATOM 351 OG1 THR A 23 -14.504 -9.274 3.541 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.544 -6.937 4.147 1.00 0.00 C ATOM 0 H THR A 23 -12.220 -9.233 1.892 1.00 0.00 H new ATOM 0 HA THR A 23 -14.581 -7.823 1.409 1.00 0.00 H new ATOM 0 HB THR A 23 -12.803 -8.139 3.849 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.604 -9.494 4.491 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.650 -7.210 5.197 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.988 -6.003 4.070 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.532 -6.809 3.704 1.00 0.00 H new ATOM 360 N ALA A 24 -12.486 -5.735 2.807 1.00 0.00 N ATOM 361 CA ALA A 24 -12.017 -4.355 2.814 1.00 0.00 C ATOM 362 C ALA A 24 -11.152 -4.075 4.037 1.00 0.00 C ATOM 363 O ALA A 24 -10.964 -4.944 4.888 1.00 0.00 O ATOM 364 CB ALA A 24 -13.199 -3.397 2.771 1.00 0.00 C ATOM 0 H ALA A 24 -12.214 -6.277 3.627 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.404 -4.201 1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.835 -2.370 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.777 -3.572 1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.833 -3.562 3.642 1.00 0.00 H new ATOM 370 N SER A 25 -10.627 -2.857 4.120 1.00 0.00 N ATOM 371 CA SER A 25 -9.778 -2.463 5.238 1.00 0.00 C ATOM 372 C SER A 25 -10.596 -2.314 6.516 1.00 0.00 C ATOM 373 O SER A 25 -11.584 -1.583 6.552 1.00 0.00 O ATOM 374 CB SER A 25 -9.059 -1.151 4.922 1.00 0.00 C ATOM 375 OG SER A 25 -9.478 -0.117 5.797 1.00 0.00 O ATOM 0 H SER A 25 -10.775 -2.125 3.425 1.00 0.00 H new ATOM 0 HA SER A 25 -9.036 -3.247 5.393 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.982 -1.292 5.010 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.259 -0.862 3.890 1.00 0.00 H new ATOM 0 HG SER A 25 -8.747 0.109 6.409 1.00 0.00 H new ATOM 381 N GLY A 26 -10.176 -3.016 7.566 1.00 0.00 N ATOM 382 CA GLY A 26 -10.880 -2.949 8.832 1.00 0.00 C ATOM 383 C GLY A 26 -10.595 -1.665 9.587 1.00 0.00 C ATOM 384 O GLY A 26 -11.122 -1.449 10.678 1.00 0.00 O ATOM 0 H GLY A 26 -9.361 -3.629 7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.952 -3.031 8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.594 -3.801 9.449 1.00 0.00 H new ATOM 388 N TYR A 27 -9.759 -0.812 9.006 1.00 0.00 N ATOM 389 CA TYR A 27 -9.401 0.455 9.633 1.00 0.00 C ATOM 390 C TYR A 27 -10.195 1.607 9.024 1.00 0.00 C ATOM 391 O TYR A 27 -10.308 2.680 9.618 1.00 0.00 O ATOM 392 CB TYR A 27 -7.902 0.718 9.481 1.00 0.00 C ATOM 393 CG TYR A 27 -7.055 -0.002 10.506 1.00 0.00 C ATOM 394 CD1 TYR A 27 -7.590 -1.018 11.288 1.00 0.00 C ATOM 395 CD2 TYR A 27 -5.720 0.335 10.693 1.00 0.00 C ATOM 396 CE1 TYR A 27 -6.819 -1.678 12.227 1.00 0.00 C ATOM 397 CE2 TYR A 27 -4.942 -0.320 11.628 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.496 -1.325 12.392 1.00 0.00 C ATOM 399 OH TYR A 27 -4.725 -1.980 13.326 1.00 0.00 O ATOM 0 H TYR A 27 -9.316 -0.975 8.102 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.646 0.389 10.693 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.587 0.413 8.483 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.720 1.790 9.559 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.626 -1.297 11.160 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.283 1.123 10.097 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.250 -2.465 12.828 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.906 -0.046 11.760 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.817 -1.613 13.316 1.00 0.00 H new ATOM 409 N SER A 28 -10.743 1.376 7.836 1.00 0.00 N ATOM 410 CA SER A 28 -11.525 2.395 7.144 1.00 0.00 C ATOM 411 C SER A 28 -12.501 3.074 8.100 1.00 0.00 C ATOM 412 O SER A 28 -12.956 4.190 7.851 1.00 0.00 O ATOM 413 CB SER A 28 -12.290 1.773 5.973 1.00 0.00 C ATOM 414 OG SER A 28 -12.357 2.667 4.877 1.00 0.00 O ATOM 0 H SER A 28 -10.660 0.493 7.332 1.00 0.00 H new ATOM 0 HA SER A 28 -10.836 3.148 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.800 0.850 5.664 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.298 1.508 6.292 1.00 0.00 H new ATOM 0 HG SER A 28 -12.569 3.567 5.202 1.00 0.00 H new ATOM 420 N ASP A 29 -12.817 2.391 9.195 1.00 0.00 N ATOM 421 CA ASP A 29 -13.738 2.927 10.191 1.00 0.00 C ATOM 422 C ASP A 29 -13.390 4.373 10.530 1.00 0.00 C ATOM 423 O ASP A 29 -14.176 5.287 10.283 1.00 0.00 O ATOM 424 CB ASP A 29 -13.709 2.071 11.458 1.00 0.00 C ATOM 425 CG ASP A 29 -14.978 1.263 11.640 1.00 0.00 C ATOM 426 OD1 ASP A 29 -15.069 0.161 11.060 1.00 0.00 O ATOM 427 OD2 ASP A 29 -15.881 1.732 12.364 1.00 0.00 O ATOM 0 H ASP A 29 -12.449 1.466 9.415 1.00 0.00 H new ATOM 0 HA ASP A 29 -14.743 2.903 9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.854 1.396 11.417 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.565 2.715 12.325 1.00 0.00 H new ATOM 432 N VAL A 30 -12.206 4.573 11.100 1.00 0.00 N ATOM 433 CA VAL A 30 -11.752 5.907 11.474 1.00 0.00 C ATOM 434 C VAL A 30 -10.285 6.110 11.115 1.00 0.00 C ATOM 435 O VAL A 30 -9.395 5.883 11.937 1.00 0.00 O ATOM 436 CB VAL A 30 -11.941 6.162 12.982 1.00 0.00 C ATOM 437 CG1 VAL A 30 -13.042 7.185 13.217 1.00 0.00 C ATOM 438 CG2 VAL A 30 -12.247 4.861 13.707 1.00 0.00 C ATOM 0 H VAL A 30 -11.543 3.827 11.313 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.361 6.617 10.914 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.012 6.566 13.384 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -13.161 7.352 14.288 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.776 8.124 12.731 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.979 6.813 12.801 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.378 5.059 14.771 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.162 4.426 13.304 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.421 4.163 13.567 1.00 0.00 H new ATOM 448 N THR A 31 -10.036 6.539 9.882 1.00 0.00 N ATOM 449 CA THR A 31 -8.675 6.771 9.413 1.00 0.00 C ATOM 450 C THR A 31 -8.609 7.992 8.501 1.00 0.00 C ATOM 451 O THR A 31 -9.445 8.161 7.614 1.00 0.00 O ATOM 452 CB THR A 31 -8.125 5.548 8.655 1.00 0.00 C ATOM 453 OG1 THR A 31 -9.207 4.768 8.134 1.00 0.00 O ATOM 454 CG2 THR A 31 -7.267 4.687 9.570 1.00 0.00 C ATOM 0 H THR A 31 -10.759 6.733 9.189 1.00 0.00 H new ATOM 0 HA THR A 31 -8.062 6.947 10.297 1.00 0.00 H new ATOM 0 HB THR A 31 -7.506 5.905 7.832 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.472 4.094 8.794 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.889 3.829 9.014 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.429 5.276 9.943 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.868 4.339 10.410 1.00 0.00 H new ATOM 517 N LEU A 36 -6.108 6.514 -0.574 1.00 0.00 N ATOM 518 CA LEU A 36 -6.566 5.163 -0.881 1.00 0.00 C ATOM 519 C LEU A 36 -7.981 4.936 -0.358 1.00 0.00 C ATOM 520 O LEU A 36 -8.346 5.429 0.709 1.00 0.00 O ATOM 521 CB LEU A 36 -5.614 4.131 -0.272 1.00 0.00 C ATOM 522 CG LEU A 36 -4.121 4.437 -0.401 1.00 0.00 C ATOM 523 CD1 LEU A 36 -3.358 3.881 0.792 1.00 0.00 C ATOM 524 CD2 LEU A 36 -3.570 3.870 -1.701 1.00 0.00 C ATOM 0 HA LEU A 36 -6.576 5.046 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.853 4.026 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.809 3.166 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.991 5.519 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.297 4.108 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.734 4.335 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.495 2.801 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.507 4.097 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.712 2.789 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.096 4.316 -2.545 1.00 0.00 H new ATOM 536 N GLY A 37 -8.773 4.185 -1.117 1.00 0.00 N ATOM 537 CA GLY A 37 -10.138 3.904 -0.713 1.00 0.00 C ATOM 538 C GLY A 37 -10.209 3.014 0.511 1.00 0.00 C ATOM 539 O GLY A 37 -10.364 3.499 1.632 1.00 0.00 O ATOM 0 H GLY A 37 -8.494 3.766 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.653 4.842 -0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.666 3.425 -1.538 1.00 0.00 H new ATOM 543 N SER A 38 -10.098 1.707 0.297 1.00 0.00 N ATOM 544 CA SER A 38 -10.155 0.745 1.392 1.00 0.00 C ATOM 545 C SER A 38 -10.433 -0.660 0.867 1.00 0.00 C ATOM 546 O SER A 38 -9.939 -1.649 1.412 1.00 0.00 O ATOM 547 CB SER A 38 -11.236 1.149 2.397 1.00 0.00 C ATOM 548 OG SER A 38 -11.958 0.017 2.852 1.00 0.00 O ATOM 0 H SER A 38 -9.968 1.290 -0.625 1.00 0.00 H new ATOM 0 HA SER A 38 -9.186 0.742 1.892 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.777 1.657 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.921 1.859 1.933 1.00 0.00 H new ATOM 0 HG SER A 38 -12.642 0.301 3.494 1.00 0.00 H new ATOM 554 N LEU A 39 -11.226 -0.742 -0.195 1.00 0.00 N ATOM 555 CA LEU A 39 -11.571 -2.026 -0.796 1.00 0.00 C ATOM 556 C LEU A 39 -10.553 -2.420 -1.861 1.00 0.00 C ATOM 557 O LEU A 39 -10.833 -3.251 -2.725 1.00 0.00 O ATOM 558 CB LEU A 39 -12.970 -1.965 -1.410 1.00 0.00 C ATOM 559 CG LEU A 39 -13.688 -3.305 -1.578 1.00 0.00 C ATOM 560 CD1 LEU A 39 -15.192 -3.125 -1.445 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.340 -3.930 -2.921 1.00 0.00 C ATOM 0 H LEU A 39 -11.643 0.066 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.558 -2.781 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.590 -1.319 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.895 -1.490 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.353 -3.978 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.686 -4.089 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.424 -2.721 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.545 -2.436 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.859 -4.883 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.647 -3.260 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.264 -4.095 -2.978 1.00 0.00 H new ATOM 573 N ALA A 40 -9.370 -1.817 -1.793 1.00 0.00 N ATOM 574 CA ALA A 40 -8.309 -2.107 -2.750 1.00 0.00 C ATOM 575 C ALA A 40 -7.159 -2.855 -2.084 1.00 0.00 C ATOM 576 O ALA A 40 -6.918 -2.704 -0.886 1.00 0.00 O ATOM 577 CB ALA A 40 -7.804 -0.820 -3.386 1.00 0.00 C ATOM 0 H ALA A 40 -9.123 -1.125 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.723 -2.747 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.012 -1.052 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.624 -0.324 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.413 -0.160 -2.611 1.00 0.00 H new ATOM 583 N VAL A 41 -6.451 -3.663 -2.867 1.00 0.00 N ATOM 584 CA VAL A 41 -5.327 -4.436 -2.353 1.00 0.00 C ATOM 585 C VAL A 41 -4.038 -4.084 -3.088 1.00 0.00 C ATOM 586 O VAL A 41 -4.038 -3.879 -4.301 1.00 0.00 O ATOM 587 CB VAL A 41 -5.580 -5.949 -2.479 1.00 0.00 C ATOM 588 CG1 VAL A 41 -5.017 -6.687 -1.274 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.068 -6.228 -2.638 1.00 0.00 C ATOM 0 H VAL A 41 -6.636 -3.799 -3.861 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.223 -4.181 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.067 -6.313 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.205 -7.755 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.943 -6.513 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.499 -6.323 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.229 -7.302 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.604 -5.850 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.438 -5.731 -3.535 1.00 0.00 H new ATOM 599 N GLY A 42 -2.938 -4.017 -2.344 1.00 0.00 N ATOM 600 CA GLY A 42 -1.657 -3.691 -2.941 1.00 0.00 C ATOM 601 C GLY A 42 -0.515 -4.481 -2.332 1.00 0.00 C ATOM 602 O GLY A 42 -0.387 -4.559 -1.110 1.00 0.00 O ATOM 0 H GLY A 42 -2.912 -4.183 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.699 -3.886 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.463 -2.625 -2.819 1.00 0.00 H new ATOM 606 N HIS A 43 0.318 -5.069 -3.186 1.00 0.00 N ATOM 607 CA HIS A 43 1.454 -5.858 -2.725 1.00 0.00 C ATOM 608 C HIS A 43 2.752 -5.067 -2.850 1.00 0.00 C ATOM 609 O HIS A 43 3.209 -4.775 -3.956 1.00 0.00 O ATOM 610 CB HIS A 43 1.557 -7.158 -3.523 1.00 0.00 C ATOM 611 CG HIS A 43 2.191 -6.987 -4.868 1.00 0.00 C ATOM 612 ND1 HIS A 43 3.467 -7.420 -5.160 1.00 0.00 N ATOM 613 CD2 HIS A 43 1.718 -6.425 -6.005 1.00 0.00 C ATOM 614 CE1 HIS A 43 3.750 -7.132 -6.417 1.00 0.00 C ATOM 615 NE2 HIS A 43 2.705 -6.528 -6.953 1.00 0.00 N ATOM 0 H HIS A 43 0.227 -5.014 -4.200 1.00 0.00 H new ATOM 0 HA HIS A 43 1.295 -6.097 -1.674 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.134 -7.883 -2.948 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.558 -7.576 -3.652 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.744 -5.978 -6.141 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.679 -7.353 -6.922 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.642 -6.193 -7.914 1.00 0.00 H new ATOM 623 N LEU A 44 3.340 -4.719 -1.711 1.00 0.00 N ATOM 624 CA LEU A 44 4.586 -3.960 -1.693 1.00 0.00 C ATOM 625 C LEU A 44 5.630 -4.604 -2.600 1.00 0.00 C ATOM 626 O LEU A 44 6.032 -5.749 -2.386 1.00 0.00 O ATOM 627 CB LEU A 44 5.125 -3.860 -0.265 1.00 0.00 C ATOM 628 CG LEU A 44 5.518 -2.460 0.208 1.00 0.00 C ATOM 629 CD1 LEU A 44 4.363 -1.803 0.948 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.753 -2.524 1.093 1.00 0.00 C ATOM 0 H LEU A 44 2.974 -4.950 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 44 4.377 -2.958 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.369 -4.253 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.997 -4.508 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 44 5.753 -1.854 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.661 -0.808 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.503 -1.723 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.096 -2.407 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.018 -1.519 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.545 -3.146 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.582 -2.953 0.530 1.00 0.00 H new ATOM 642 N THR A 45 6.067 -3.862 -3.612 1.00 0.00 N ATOM 643 CA THR A 45 7.065 -4.360 -4.550 1.00 0.00 C ATOM 644 C THR A 45 8.460 -4.324 -3.938 1.00 0.00 C ATOM 645 O THR A 45 9.456 -4.563 -4.623 1.00 0.00 O ATOM 646 CB THR A 45 7.067 -3.542 -5.855 1.00 0.00 C ATOM 647 OG1 THR A 45 7.461 -2.192 -5.586 1.00 0.00 O ATOM 648 CG2 THR A 45 5.691 -3.554 -6.504 1.00 0.00 C ATOM 0 H THR A 45 5.745 -2.913 -3.803 1.00 0.00 H new ATOM 0 HA THR A 45 6.798 -5.392 -4.778 1.00 0.00 H new ATOM 0 HB THR A 45 7.779 -3.998 -6.542 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.461 -1.679 -6.421 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.717 -2.970 -7.424 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.406 -4.581 -6.734 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.962 -3.120 -5.820 1.00 0.00 H new ATOM 656 N LYS A 46 8.527 -4.025 -2.646 1.00 0.00 N ATOM 657 CA LYS A 46 9.802 -3.959 -1.941 1.00 0.00 C ATOM 658 C LYS A 46 10.133 -5.299 -1.289 1.00 0.00 C ATOM 659 O LYS A 46 11.280 -5.745 -1.312 1.00 0.00 O ATOM 660 CB LYS A 46 9.764 -2.859 -0.878 1.00 0.00 C ATOM 661 CG LYS A 46 9.834 -1.455 -1.453 1.00 0.00 C ATOM 662 CD LYS A 46 11.171 -0.797 -1.157 1.00 0.00 C ATOM 663 CE LYS A 46 11.069 0.175 0.009 1.00 0.00 C ATOM 664 NZ LYS A 46 10.843 1.573 -0.451 1.00 0.00 N ATOM 0 H LYS A 46 7.713 -3.824 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 46 10.580 -3.726 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.848 -2.959 -0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.596 -3.002 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.678 -1.494 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.029 -0.850 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.912 -1.563 -0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.521 -0.268 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.252 -0.128 0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.984 0.131 0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.779 2.204 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.635 1.872 -1.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.957 1.621 -0.993 1.00 0.00 H new ATOM 678 N CYS A 47 9.121 -5.935 -0.711 1.00 0.00 N ATOM 679 CA CYS A 47 9.303 -7.224 -0.053 1.00 0.00 C ATOM 680 C CYS A 47 8.349 -8.267 -0.627 1.00 0.00 C ATOM 681 O CYS A 47 8.528 -9.467 -0.421 1.00 0.00 O ATOM 682 CB CYS A 47 9.080 -7.087 1.454 1.00 0.00 C ATOM 683 SG CYS A 47 7.538 -6.231 1.904 1.00 0.00 S ATOM 0 H CYS A 47 8.165 -5.579 -0.684 1.00 0.00 H new ATOM 0 HA CYS A 47 10.326 -7.555 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.075 -8.081 1.901 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.922 -6.547 1.887 1.00 0.00 H new ATOM 0 HG CYS A 47 7.763 -4.955 2.004 1.00 0.00 H new ATOM 688 N SER A 48 7.334 -7.800 -1.348 1.00 0.00 N ATOM 689 CA SER A 48 6.349 -8.691 -1.949 1.00 0.00 C ATOM 690 C SER A 48 5.261 -9.054 -0.944 1.00 0.00 C ATOM 691 O SER A 48 4.723 -10.162 -0.966 1.00 0.00 O ATOM 692 CB SER A 48 7.027 -9.962 -2.465 1.00 0.00 C ATOM 693 OG SER A 48 6.958 -11.003 -1.504 1.00 0.00 O ATOM 0 H SER A 48 7.173 -6.809 -1.530 1.00 0.00 H new ATOM 0 HA SER A 48 5.887 -8.169 -2.787 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.548 -10.284 -3.390 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.070 -9.751 -2.703 1.00 0.00 H new ATOM 0 HG SER A 48 7.550 -10.793 -0.751 1.00 0.00 H new ATOM 699 N HIS A 49 4.940 -8.112 -0.063 1.00 0.00 N ATOM 700 CA HIS A 49 3.915 -8.332 0.951 1.00 0.00 C ATOM 701 C HIS A 49 2.630 -7.589 0.595 1.00 0.00 C ATOM 702 O HIS A 49 2.668 -6.440 0.155 1.00 0.00 O ATOM 703 CB HIS A 49 4.416 -7.875 2.322 1.00 0.00 C ATOM 704 CG HIS A 49 5.683 -8.550 2.751 1.00 0.00 C ATOM 705 ND1 HIS A 49 6.011 -8.767 4.072 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.706 -9.059 2.023 1.00 0.00 C ATOM 707 CE1 HIS A 49 7.180 -9.377 4.140 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.623 -9.567 2.910 1.00 0.00 N ATOM 0 H HIS A 49 5.374 -7.190 -0.031 1.00 0.00 H new ATOM 0 HA HIS A 49 3.700 -9.400 0.988 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.577 -6.797 2.300 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.642 -8.067 3.065 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.785 -9.064 0.946 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.688 -9.671 5.047 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.503 -10.018 2.660 1.00 0.00 H new ATOM 716 N ALA A 50 1.496 -8.254 0.786 1.00 0.00 N ATOM 717 CA ALA A 50 0.201 -7.657 0.485 1.00 0.00 C ATOM 718 C ALA A 50 -0.592 -7.394 1.760 1.00 0.00 C ATOM 719 O ALA A 50 -0.259 -7.909 2.828 1.00 0.00 O ATOM 720 CB ALA A 50 -0.591 -8.558 -0.454 1.00 0.00 C ATOM 0 H ALA A 50 1.448 -9.206 1.148 1.00 0.00 H new ATOM 0 HA ALA A 50 0.376 -6.700 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.556 -8.100 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.037 -8.692 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.748 -9.528 0.018 1.00 0.00 H new ATOM 726 N PHE A 51 -1.643 -6.589 1.644 1.00 0.00 N ATOM 727 CA PHE A 51 -2.482 -6.256 2.789 1.00 0.00 C ATOM 728 C PHE A 51 -3.501 -5.180 2.422 1.00 0.00 C ATOM 729 O PHE A 51 -3.650 -4.824 1.252 1.00 0.00 O ATOM 730 CB PHE A 51 -1.619 -5.781 3.960 1.00 0.00 C ATOM 731 CG PHE A 51 -0.244 -5.337 3.549 1.00 0.00 C ATOM 732 CD1 PHE A 51 0.849 -5.584 4.363 1.00 0.00 C ATOM 733 CD2 PHE A 51 -0.045 -4.673 2.349 1.00 0.00 C ATOM 734 CE1 PHE A 51 2.116 -5.178 3.988 1.00 0.00 C ATOM 735 CE2 PHE A 51 1.219 -4.265 1.969 1.00 0.00 C ATOM 736 CZ PHE A 51 2.301 -4.516 2.790 1.00 0.00 C ATOM 0 H PHE A 51 -1.934 -6.155 0.768 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.021 -7.155 3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.124 -4.956 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.529 -6.589 4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.710 -6.100 5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.887 -4.472 1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.960 -5.378 4.631 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.361 -3.750 1.030 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.289 -4.195 2.496 1.00 0.00 H new ATOM 746 N HIS A 52 -4.198 -4.666 3.430 1.00 0.00 N ATOM 747 CA HIS A 52 -5.201 -3.629 3.215 1.00 0.00 C ATOM 748 C HIS A 52 -4.551 -2.252 3.127 1.00 0.00 C ATOM 749 O HIS A 52 -4.042 -1.730 4.120 1.00 0.00 O ATOM 750 CB HIS A 52 -6.233 -3.648 4.343 1.00 0.00 C ATOM 751 CG HIS A 52 -7.205 -4.783 4.247 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.863 -5.305 5.340 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.631 -5.496 3.178 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.650 -6.291 4.949 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.528 -6.428 3.641 1.00 0.00 N ATOM 0 H HIS A 52 -4.087 -4.950 4.403 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.703 -3.834 2.269 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.713 -3.706 5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.784 -2.707 4.336 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.758 -4.980 6.301 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.323 -5.358 2.152 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.285 -6.884 5.590 1.00 0.00 H new ATOM 763 N LEU A 53 -4.571 -1.669 1.934 1.00 0.00 N ATOM 764 CA LEU A 53 -3.982 -0.352 1.716 1.00 0.00 C ATOM 765 C LEU A 53 -4.294 0.583 2.880 1.00 0.00 C ATOM 766 O LEU A 53 -3.410 0.937 3.661 1.00 0.00 O ATOM 767 CB LEU A 53 -4.500 0.250 0.409 1.00 0.00 C ATOM 768 CG LEU A 53 -4.001 -0.407 -0.878 1.00 0.00 C ATOM 769 CD1 LEU A 53 -4.954 -0.122 -2.027 1.00 0.00 C ATOM 770 CD2 LEU A 53 -2.598 0.078 -1.213 1.00 0.00 C ATOM 0 H LEU A 53 -4.989 -2.087 1.103 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.901 -0.471 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.589 0.204 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.226 1.305 0.385 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.965 -1.485 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.582 -0.598 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.941 -0.518 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.023 0.954 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.258 -0.399 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.610 1.159 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.920 -0.178 -0.399 1.00 0.00 H new ATOM 782 N LEU A 54 -5.558 0.979 2.992 1.00 0.00 N ATOM 783 CA LEU A 54 -5.989 1.872 4.062 1.00 0.00 C ATOM 784 C LEU A 54 -5.301 1.518 5.376 1.00 0.00 C ATOM 785 O LEU A 54 -4.571 2.329 5.945 1.00 0.00 O ATOM 786 CB LEU A 54 -7.506 1.800 4.232 1.00 0.00 C ATOM 787 CG LEU A 54 -8.136 2.888 5.103 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.099 3.488 6.039 1.00 0.00 C ATOM 789 CD2 LEU A 54 -8.764 3.969 4.236 1.00 0.00 C ATOM 0 H LEU A 54 -6.302 0.695 2.355 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.708 2.889 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.965 1.842 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.758 0.829 4.659 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.922 2.434 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.565 4.260 6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.696 2.707 6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.291 3.927 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.207 4.734 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.998 4.420 3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.537 3.528 3.607 1.00 0.00 H new ATOM 801 N CYS A 55 -5.536 0.299 5.852 1.00 0.00 N ATOM 802 CA CYS A 55 -4.938 -0.164 7.097 1.00 0.00 C ATOM 803 C CYS A 55 -3.466 0.230 7.174 1.00 0.00 C ATOM 804 O CYS A 55 -3.024 0.841 8.148 1.00 0.00 O ATOM 805 CB CYS A 55 -5.078 -1.682 7.222 1.00 0.00 C ATOM 806 SG CYS A 55 -6.803 -2.269 7.266 1.00 0.00 S ATOM 0 H CYS A 55 -6.137 -0.386 5.393 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.467 0.312 7.923 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.566 -2.154 6.383 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.571 -2.009 8.130 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.818 -3.565 7.371 1.00 0.00 H new ATOM 811 N LEU A 56 -2.710 -0.125 6.141 1.00 0.00 N ATOM 812 CA LEU A 56 -1.287 0.191 6.090 1.00 0.00 C ATOM 813 C LEU A 56 -1.062 1.698 6.132 1.00 0.00 C ATOM 814 O LEU A 56 -0.418 2.216 7.045 1.00 0.00 O ATOM 815 CB LEU A 56 -0.660 -0.395 4.823 1.00 0.00 C ATOM 816 CG LEU A 56 -0.995 -1.856 4.522 1.00 0.00 C ATOM 817 CD1 LEU A 56 -0.944 -2.118 3.025 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.042 -2.785 5.260 1.00 0.00 C ATOM 0 H LEU A 56 -3.059 -0.632 5.327 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.810 -0.253 6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.973 0.211 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.423 -0.300 4.900 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.008 -2.055 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.185 -3.163 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.667 -1.478 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.057 -1.901 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.296 -3.821 5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.981 -2.584 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.128 -2.616 6.333 1.00 0.00 H new ATOM 830 N LEU A 57 -1.598 2.399 5.139 1.00 0.00 N ATOM 831 CA LEU A 57 -1.459 3.850 5.063 1.00 0.00 C ATOM 832 C LEU A 57 -1.657 4.488 6.434 1.00 0.00 C ATOM 833 O LEU A 57 -1.008 5.479 6.767 1.00 0.00 O ATOM 834 CB LEU A 57 -2.467 4.427 4.068 1.00 0.00 C ATOM 835 CG LEU A 57 -2.411 5.941 3.858 1.00 0.00 C ATOM 836 CD1 LEU A 57 -3.260 6.656 4.897 1.00 0.00 C ATOM 837 CD2 LEU A 57 -0.971 6.433 3.911 1.00 0.00 C ATOM 0 H LEU A 57 -2.133 1.986 4.375 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.450 4.077 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.315 3.941 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.470 4.164 4.403 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.815 6.168 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.208 7.732 4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.295 6.325 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.887 6.424 5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.949 7.512 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.540 6.194 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.391 5.945 3.128 1.00 0.00 H new ATOM 849 N ALA A 58 -2.556 3.912 7.225 1.00 0.00 N ATOM 850 CA ALA A 58 -2.837 4.423 8.562 1.00 0.00 C ATOM 851 C ALA A 58 -1.613 4.300 9.464 1.00 0.00 C ATOM 852 O ALA A 58 -1.035 5.303 9.880 1.00 0.00 O ATOM 853 CB ALA A 58 -4.020 3.684 9.170 1.00 0.00 C ATOM 0 H ALA A 58 -3.102 3.091 6.964 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.088 5.480 8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.219 4.075 10.168 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.900 3.826 8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.790 2.621 9.236 1.00 0.00 H new ATOM 859 N MET A 59 -1.224 3.065 9.761 1.00 0.00 N ATOM 860 CA MET A 59 -0.068 2.813 10.614 1.00 0.00 C ATOM 861 C MET A 59 1.228 3.170 9.893 1.00 0.00 C ATOM 862 O MET A 59 2.302 3.175 10.494 1.00 0.00 O ATOM 863 CB MET A 59 -0.038 1.346 11.047 1.00 0.00 C ATOM 864 CG MET A 59 -0.462 0.380 9.953 1.00 0.00 C ATOM 865 SD MET A 59 0.663 -1.020 9.787 1.00 0.00 S ATOM 866 CE MET A 59 2.123 -0.207 9.144 1.00 0.00 C ATOM 0 H MET A 59 -1.692 2.223 9.424 1.00 0.00 H new ATOM 0 HA MET A 59 -0.156 3.444 11.499 1.00 0.00 H new ATOM 0 HB2 MET A 59 0.971 1.093 11.373 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.693 1.217 11.908 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.465 0.011 10.168 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.515 0.913 9.004 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.499 -0.761 8.284 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.869 0.808 8.839 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.891 -0.172 9.917 1.00 0.00 H new ATOM 876 N TYR A 60 1.119 3.466 8.603 1.00 0.00 N ATOM 877 CA TYR A 60 2.283 3.822 7.800 1.00 0.00 C ATOM 878 C TYR A 60 2.979 5.055 8.366 1.00 0.00 C ATOM 879 O TYR A 60 4.116 5.361 8.003 1.00 0.00 O ATOM 880 CB TYR A 60 1.869 4.077 6.349 1.00 0.00 C ATOM 881 CG TYR A 60 2.070 5.508 5.906 1.00 0.00 C ATOM 882 CD1 TYR A 60 1.539 6.564 6.636 1.00 0.00 C ATOM 883 CD2 TYR A 60 2.790 5.805 4.755 1.00 0.00 C ATOM 884 CE1 TYR A 60 1.719 7.873 6.233 1.00 0.00 C ATOM 885 CE2 TYR A 60 2.976 7.110 4.346 1.00 0.00 C ATOM 886 CZ TYR A 60 2.439 8.141 5.089 1.00 0.00 C ATOM 887 OH TYR A 60 2.621 9.444 4.683 1.00 0.00 O ATOM 0 H TYR A 60 0.237 3.467 8.091 1.00 0.00 H new ATOM 0 HA TYR A 60 2.983 2.987 7.830 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.442 3.419 5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.819 3.812 6.227 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.976 6.358 7.534 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.211 5.001 4.170 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.298 8.682 6.811 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.539 7.323 3.449 1.00 0.00 H new ATOM 0 HH TYR A 60 3.152 9.459 3.859 1.00 0.00 H new ATOM 897 N CYS A 61 2.291 5.758 9.258 1.00 0.00 N ATOM 898 CA CYS A 61 2.842 6.959 9.875 1.00 0.00 C ATOM 899 C CYS A 61 3.984 6.607 10.824 1.00 0.00 C ATOM 900 O CYS A 61 4.697 7.487 11.305 1.00 0.00 O ATOM 901 CB CYS A 61 1.750 7.716 10.632 1.00 0.00 C ATOM 902 SG CYS A 61 1.626 7.281 12.382 1.00 0.00 S ATOM 0 H CYS A 61 1.350 5.517 9.570 1.00 0.00 H new ATOM 0 HA CYS A 61 3.234 7.597 9.083 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.940 8.786 10.547 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.790 7.523 10.152 1.00 0.00 H new ATOM 0 HG CYS A 61 0.676 7.975 12.935 1.00 0.00 H new ATOM 908 N ASN A 62 4.148 5.316 11.089 1.00 0.00 N ATOM 909 CA ASN A 62 5.202 4.848 11.982 1.00 0.00 C ATOM 910 C ASN A 62 6.422 4.386 11.189 1.00 0.00 C ATOM 911 O ASN A 62 7.520 4.913 11.357 1.00 0.00 O ATOM 912 CB ASN A 62 4.687 3.705 12.858 1.00 0.00 C ATOM 913 CG ASN A 62 5.458 3.579 14.158 1.00 0.00 C ATOM 914 OD1 ASN A 62 6.626 3.958 14.238 1.00 0.00 O ATOM 915 ND2 ASN A 62 4.805 3.045 15.184 1.00 0.00 N ATOM 0 H ASN A 62 3.565 4.575 10.699 1.00 0.00 H new ATOM 0 HA ASN A 62 5.499 5.680 12.620 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.632 3.867 13.079 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.756 2.768 12.305 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.272 2.935 16.084 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.837 2.745 15.072 1.00 0.00 H new ATOM 922 N GLY A 63 6.219 3.396 10.326 1.00 0.00 N ATOM 923 CA GLY A 63 7.309 2.879 9.520 1.00 0.00 C ATOM 924 C GLY A 63 7.223 3.323 8.074 1.00 0.00 C ATOM 925 O GLY A 63 6.336 4.092 7.705 1.00 0.00 O ATOM 0 H GLY A 63 5.319 2.942 10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.258 3.210 9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.304 1.790 9.563 1.00 0.00 H new ATOM 929 N ASN A 64 8.148 2.839 7.250 1.00 0.00 N ATOM 930 CA ASN A 64 8.172 3.193 5.836 1.00 0.00 C ATOM 931 C ASN A 64 7.858 4.673 5.639 1.00 0.00 C ATOM 932 O ASN A 64 8.752 5.519 5.671 1.00 0.00 O ATOM 933 CB ASN A 64 7.170 2.339 5.057 1.00 0.00 C ATOM 934 CG ASN A 64 7.823 1.140 4.396 1.00 0.00 C ATOM 935 OD1 ASN A 64 8.864 0.660 4.845 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.212 0.652 3.323 1.00 0.00 N ATOM 0 H ASN A 64 8.890 2.201 7.538 1.00 0.00 H new ATOM 0 HA ASN A 64 9.175 3.000 5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.386 1.996 5.733 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.688 2.953 4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.604 -0.153 2.835 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.351 1.083 2.987 1.00 0.00 H new ATOM 943 N LYS A 65 6.581 4.978 5.437 1.00 0.00 N ATOM 944 CA LYS A 65 6.146 6.356 5.237 1.00 0.00 C ATOM 945 C LYS A 65 6.855 6.982 4.041 1.00 0.00 C ATOM 946 O LYS A 65 7.091 8.190 4.010 1.00 0.00 O ATOM 947 CB LYS A 65 6.415 7.185 6.495 1.00 0.00 C ATOM 948 CG LYS A 65 5.153 7.614 7.223 1.00 0.00 C ATOM 949 CD LYS A 65 4.999 9.125 7.230 1.00 0.00 C ATOM 950 CE LYS A 65 5.933 9.775 8.239 1.00 0.00 C ATOM 951 NZ LYS A 65 5.256 10.022 9.542 1.00 0.00 N ATOM 0 H LYS A 65 5.829 4.290 5.407 1.00 0.00 H new ATOM 0 HA LYS A 65 5.074 6.347 5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.038 6.605 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.985 8.072 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.284 7.161 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.181 7.246 8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.207 9.518 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.967 9.386 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.801 9.134 8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.302 10.718 7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.842 10.655 10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.330 10.464 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.123 9.119 10.041 1.00 0.00 H new ATOM 965 N ASP A 66 7.189 6.155 3.057 1.00 0.00 N ATOM 966 CA ASP A 66 7.869 6.628 1.857 1.00 0.00 C ATOM 967 C ASP A 66 6.913 7.418 0.967 1.00 0.00 C ATOM 968 O ASP A 66 7.339 8.117 0.049 1.00 0.00 O ATOM 969 CB ASP A 66 8.453 5.449 1.077 1.00 0.00 C ATOM 970 CG ASP A 66 9.907 5.666 0.705 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.783 5.059 1.356 1.00 0.00 O ATOM 972 OD2 ASP A 66 10.168 6.442 -0.238 1.00 0.00 O ATOM 0 H ASP A 66 7.000 5.153 3.067 1.00 0.00 H new ATOM 0 HA ASP A 66 8.680 7.287 2.165 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.365 4.542 1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.868 5.291 0.171 1.00 0.00 H new ATOM 977 N GLY A 67 5.618 7.301 1.247 1.00 0.00 N ATOM 978 CA GLY A 67 4.623 8.009 0.464 1.00 0.00 C ATOM 979 C GLY A 67 3.585 7.078 -0.132 1.00 0.00 C ATOM 980 O GLY A 67 3.294 7.145 -1.326 1.00 0.00 O ATOM 0 H GLY A 67 5.241 6.728 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.126 8.746 1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.118 8.557 -0.338 1.00 0.00 H new ATOM 984 N SER A 68 3.028 6.206 0.702 1.00 0.00 N ATOM 985 CA SER A 68 2.020 5.253 0.250 1.00 0.00 C ATOM 986 C SER A 68 1.469 4.448 1.422 1.00 0.00 C ATOM 987 O SER A 68 0.282 4.528 1.742 1.00 0.00 O ATOM 988 CB SER A 68 2.614 4.310 -0.798 1.00 0.00 C ATOM 989 OG SER A 68 3.358 3.271 -0.185 1.00 0.00 O ATOM 0 H SER A 68 3.257 6.139 1.694 1.00 0.00 H new ATOM 0 HA SER A 68 1.200 5.814 -0.199 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.814 3.881 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.258 4.872 -1.475 1.00 0.00 H new ATOM 0 HG SER A 68 3.726 2.681 -0.875 1.00 0.00 H new ATOM 995 N LEU A 69 2.338 3.671 2.059 1.00 0.00 N ATOM 996 CA LEU A 69 1.940 2.850 3.197 1.00 0.00 C ATOM 997 C LEU A 69 3.146 2.142 3.805 1.00 0.00 C ATOM 998 O LEU A 69 4.286 2.386 3.409 1.00 0.00 O ATOM 999 CB LEU A 69 0.894 1.821 2.766 1.00 0.00 C ATOM 1000 CG LEU A 69 1.252 0.968 1.549 1.00 0.00 C ATOM 1001 CD1 LEU A 69 0.801 1.652 0.268 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.748 0.693 1.512 1.00 0.00 C ATOM 0 H LEU A 69 3.323 3.592 1.807 1.00 0.00 H new ATOM 0 HA LEU A 69 1.507 3.505 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.701 1.155 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.037 2.346 2.555 1.00 0.00 H new ATOM 0 HG LEU A 69 0.730 0.014 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.064 1.031 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.279 1.796 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.294 2.620 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.985 0.085 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.290 1.637 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.042 0.160 2.416 1.00 0.00 H new ATOM 1014 N GLN A 70 2.886 1.264 4.768 1.00 0.00 N ATOM 1015 CA GLN A 70 3.951 0.519 5.430 1.00 0.00 C ATOM 1016 C GLN A 70 3.593 -0.960 5.542 1.00 0.00 C ATOM 1017 O GLN A 70 2.417 -1.323 5.585 1.00 0.00 O ATOM 1018 CB GLN A 70 4.219 1.097 6.820 1.00 0.00 C ATOM 1019 CG GLN A 70 5.401 0.456 7.528 1.00 0.00 C ATOM 1020 CD GLN A 70 4.976 -0.476 8.647 1.00 0.00 C ATOM 1021 OE1 GLN A 70 4.371 -1.521 8.403 1.00 0.00 O ATOM 1022 NE2 GLN A 70 5.292 -0.103 9.881 1.00 0.00 N ATOM 0 H GLN A 70 1.948 1.051 5.107 1.00 0.00 H new ATOM 0 HA GLN A 70 4.854 0.611 4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.397 2.169 6.730 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.327 0.973 7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.996 -0.100 6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.043 1.237 7.935 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.794 0.771 10.037 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.033 -0.691 10.673 1.00 0.00 H new ATOM 1031 N CYS A 71 4.614 -1.809 5.588 1.00 0.00 N ATOM 1032 CA CYS A 71 4.408 -3.248 5.694 1.00 0.00 C ATOM 1033 C CYS A 71 4.592 -3.719 7.134 1.00 0.00 C ATOM 1034 O CYS A 71 5.710 -3.895 7.618 1.00 0.00 O ATOM 1035 CB CYS A 71 5.378 -3.992 4.775 1.00 0.00 C ATOM 1036 SG CYS A 71 5.483 -5.782 5.096 1.00 0.00 S ATOM 0 H CYS A 71 5.593 -1.525 5.553 1.00 0.00 H new ATOM 0 HA CYS A 71 3.386 -3.467 5.386 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.073 -3.837 3.740 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.371 -3.556 4.883 1.00 0.00 H new ATOM 0 HG CYS A 71 6.218 -6.344 4.183 1.00 0.00 H new ATOM 1041 N PRO A 72 3.468 -3.929 7.835 1.00 0.00 N ATOM 1042 CA PRO A 72 3.478 -4.383 9.229 1.00 0.00 C ATOM 1043 C PRO A 72 3.949 -5.827 9.365 1.00 0.00 C ATOM 1044 O PRO A 72 4.029 -6.363 10.470 1.00 0.00 O ATOM 1045 CB PRO A 72 2.014 -4.256 9.654 1.00 0.00 C ATOM 1046 CG PRO A 72 1.240 -4.363 8.386 1.00 0.00 C ATOM 1047 CD PRO A 72 2.101 -3.739 7.322 1.00 0.00 C ATOM 0 HA PRO A 72 4.166 -3.801 9.842 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.736 -5.043 10.355 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.828 -3.305 10.152 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.020 -5.404 8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.284 -3.846 8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.963 -4.226 6.357 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.867 -2.684 7.183 1.00 0.00 H new ATOM 1055 N SER A 73 4.260 -6.452 8.234 1.00 0.00 N ATOM 1056 CA SER A 73 4.720 -7.836 8.226 1.00 0.00 C ATOM 1057 C SER A 73 6.200 -7.918 8.587 1.00 0.00 C ATOM 1058 O SER A 73 6.588 -8.647 9.500 1.00 0.00 O ATOM 1059 CB SER A 73 4.482 -8.468 6.853 1.00 0.00 C ATOM 1060 OG SER A 73 3.594 -9.568 6.945 1.00 0.00 O ATOM 0 H SER A 73 4.202 -6.022 7.311 1.00 0.00 H new ATOM 0 HA SER A 73 4.150 -8.387 8.974 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.072 -7.722 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.432 -8.797 6.431 1.00 0.00 H new ATOM 0 HG SER A 73 3.457 -9.953 6.054 1.00 0.00 H new ATOM 1066 N CYS A 74 7.021 -7.166 7.863 1.00 0.00 N ATOM 1067 CA CYS A 74 8.460 -7.153 8.105 1.00 0.00 C ATOM 1068 C CYS A 74 8.978 -5.723 8.223 1.00 0.00 C ATOM 1069 O CYS A 74 10.182 -5.493 8.326 1.00 0.00 O ATOM 1070 CB CYS A 74 9.194 -7.881 6.977 1.00 0.00 C ATOM 1071 SG CYS A 74 9.300 -6.933 5.425 1.00 0.00 S ATOM 0 H CYS A 74 6.716 -6.557 7.104 1.00 0.00 H new ATOM 0 HA CYS A 74 8.650 -7.669 9.046 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.203 -8.124 7.312 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.688 -8.826 6.779 1.00 0.00 H new ATOM 0 HG CYS A 74 9.939 -7.631 4.533 1.00 0.00 H new ATOM 1076 N LYS A 75 8.058 -4.763 8.209 1.00 0.00 N ATOM 1077 CA LYS A 75 8.420 -3.355 8.317 1.00 0.00 C ATOM 1078 C LYS A 75 9.446 -2.974 7.254 1.00 0.00 C ATOM 1079 O LYS A 75 10.477 -2.372 7.558 1.00 0.00 O ATOM 1080 CB LYS A 75 8.979 -3.056 9.709 1.00 0.00 C ATOM 1081 CG LYS A 75 8.206 -3.725 10.833 1.00 0.00 C ATOM 1082 CD LYS A 75 8.782 -5.090 11.170 1.00 0.00 C ATOM 1083 CE LYS A 75 8.769 -5.345 12.669 1.00 0.00 C ATOM 1084 NZ LYS A 75 9.353 -6.671 13.012 1.00 0.00 N ATOM 0 H LYS A 75 7.056 -4.935 8.124 1.00 0.00 H new ATOM 0 HA LYS A 75 7.520 -2.761 8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.019 -3.381 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.975 -1.978 9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.229 -3.091 11.719 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.161 -3.832 10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.206 -5.864 10.663 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.804 -5.157 10.797 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.330 -4.559 13.176 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.744 -5.293 13.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.326 -6.806 14.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.803 -7.423 12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.339 -6.711 12.684 1.00 0.00 H new ATOM 1098 N THR A 76 9.155 -3.327 6.006 1.00 0.00 N ATOM 1099 CA THR A 76 10.052 -3.021 4.898 1.00 0.00 C ATOM 1100 C THR A 76 9.705 -1.679 4.264 1.00 0.00 C ATOM 1101 O THR A 76 10.612 -0.918 3.929 1.00 0.00 O ATOM 1102 CB THR A 76 10.000 -4.116 3.815 1.00 0.00 C ATOM 1103 OG1 THR A 76 11.125 -4.991 3.949 1.00 0.00 O ATOM 1104 CG2 THR A 76 9.993 -3.501 2.423 1.00 0.00 C ATOM 0 H THR A 76 8.306 -3.825 5.737 1.00 0.00 H new ATOM 0 HA THR A 76 11.060 -2.975 5.311 1.00 0.00 H new ATOM 0 HB THR A 76 9.080 -4.685 3.949 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.851 -5.807 4.418 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.956 -4.293 1.675 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.120 -2.858 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.898 -2.911 2.282 1.00 0.00 H new