USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 HIS : no HE2:sc= -0.113 K(o=-1.7,f=-5.6!) USER MOD Set 1.2: B 44 HIS : no HD1:sc= -1.6 K(o=-1.7,f=-2.6) USER MOD Set 2.1: A 34 GLN : amide:sc= -0.985 K(o=-6,f=-8.7!) USER MOD Set 2.2: B 52 CYS SG : rot 2:sc= -5.05! USER MOD Set 3.1: A 18 GLN : amide:sc= 1.12 X(o=-0.52,f=-0.96) USER MOD Set 3.2: B 18 GLN : amide:sc= -1.64! C(o=-0.52!,f=-0.96!) USER MOD Single : A 6 LYS NZ :NH3+ -143:sc= -0.548 (180deg=-2.03!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00457 USER MOD Single : A 10 ASN : amide:sc= 0.781 K(o=0.78,f=-9.1!) USER MOD Single : A 11 MET CE :methyl -139:sc= -1.01 (180deg=-3.75!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 19 THR OG1 : rot 94:sc= 1.12 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0536 USER MOD Single : A 25 LYS NZ :NH3+ -111:sc= -1.47! (180deg=-3.46!) USER MOD Single : A 27 ASN : amide:sc= 0.138 X(o=0.14,f=-0.19) USER MOD Single : A 38 CYS SG : rot -89:sc= -1.91 USER MOD Single : A 40 SER OG : rot 180:sc= 0.00621 USER MOD Single : A 42 HIS : no HE2:sc= -4.94! C(o=-4.9!,f=-6.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0622 USER MOD Single : A 52 CYS SG : rot 65:sc= -1.66 USER MOD Single : B 6 LYS NZ :NH3+ -175:sc= 0.249 (180deg=0.00459) USER MOD Single : B 7 THR OG1 : rot 180:sc=0.000746 USER MOD Single : B 10 ASN : amide:sc= -0.59 K(o=-0.59,f=-6.3!) USER MOD Single : B 11 MET CE :methyl -165:sc= -0.039 (180deg=-0.446) USER MOD Single : B 17 SER OG : rot 180:sc= 0.109 USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.014 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0.138 USER MOD Single : B 25 LYS NZ :NH3+ -139:sc= -2.9! (180deg=-3.43!) USER MOD Single : B 27 ASN : amide:sc= -0.747 K(o=-0.75,f=-3!) USER MOD Single : B 34 GLN : amide:sc= -3.07 K(o=-3.1,f=-5.5!) USER MOD Single : B 38 CYS SG : rot -79:sc= -2.56 USER MOD Single : B 40 SER OG : rot 180:sc= 0.0202 USER MOD Single : B 42 HIS : no HE2:sc= -6.89! C(o=-6.9!,f=-11!) USER MOD Single : B 49 TYR OH : rot 180:sc= -0.574 USER MOD Single : B 51 SER OG : rot 100:sc= 0.608 USER MOD ----------------------------------------------------------------- ATOM 73 N GLU A 5 -17.365 1.044 -7.007 1.00 1.21 N ATOM 74 CA GLU A 5 -16.864 0.658 -5.668 1.00 0.96 C ATOM 75 C GLU A 5 -15.992 -0.576 -5.863 1.00 0.95 C ATOM 76 O GLU A 5 -14.957 -0.731 -5.252 1.00 0.82 O ATOM 77 CB GLU A 5 -18.050 0.336 -4.782 1.00 1.13 C ATOM 78 CG GLU A 5 -18.995 1.522 -4.755 1.00 1.56 C ATOM 79 CD GLU A 5 -20.221 1.139 -3.944 1.00 1.97 C ATOM 80 OE1 GLU A 5 -20.464 -0.048 -3.838 1.00 2.36 O ATOM 81 OE2 GLU A 5 -20.864 2.053 -3.469 1.00 2.53 O ATOM 0 HA GLU A 5 -16.289 1.456 -5.199 1.00 0.96 H new ATOM 0 HB2 GLU A 5 -18.568 -0.547 -5.156 1.00 1.13 H new ATOM 0 HB3 GLU A 5 -17.711 0.104 -3.772 1.00 1.13 H new ATOM 0 HG2 GLU A 5 -18.503 2.389 -4.313 1.00 1.56 H new ATOM 0 HG3 GLU A 5 -19.283 1.801 -5.769 1.00 1.56 H new ATOM 88 N LYS A 6 -16.441 -1.434 -6.732 1.00 1.22 N ATOM 89 CA LYS A 6 -15.667 -2.676 -6.983 1.00 1.36 C ATOM 90 C LYS A 6 -14.377 -2.345 -7.705 1.00 1.20 C ATOM 91 O LYS A 6 -13.433 -3.109 -7.696 1.00 1.18 O ATOM 92 CB LYS A 6 -16.522 -3.617 -7.818 1.00 1.75 C ATOM 93 CG LYS A 6 -17.637 -4.084 -6.882 1.00 2.49 C ATOM 94 CD LYS A 6 -18.804 -4.708 -7.644 1.00 2.98 C ATOM 95 CE LYS A 6 -19.855 -3.609 -7.877 1.00 3.67 C ATOM 96 NZ LYS A 6 -20.247 -2.968 -6.587 1.00 3.78 N ATOM 0 H LYS A 6 -17.300 -1.331 -7.273 1.00 1.22 H new ATOM 0 HA LYS A 6 -15.411 -3.157 -6.039 1.00 1.36 H new ATOM 0 HB2 LYS A 6 -16.929 -3.108 -8.692 1.00 1.75 H new ATOM 0 HB3 LYS A 6 -15.936 -4.460 -8.184 1.00 1.75 H new ATOM 0 HG2 LYS A 6 -17.236 -4.811 -6.176 1.00 2.49 H new ATOM 0 HG3 LYS A 6 -17.998 -3.237 -6.298 1.00 2.49 H new ATOM 0 HD2 LYS A 6 -18.464 -5.119 -8.595 1.00 2.98 H new ATOM 0 HD3 LYS A 6 -19.234 -5.533 -7.076 1.00 2.98 H new ATOM 0 HE2 LYS A 6 -19.456 -2.856 -8.556 1.00 3.67 H new ATOM 0 HE3 LYS A 6 -20.735 -4.037 -8.358 1.00 3.67 H new ATOM 0 HZ1 LYS A 6 -21.263 -2.746 -6.604 1.00 3.78 H new ATOM 0 HZ2 LYS A 6 -20.048 -3.619 -5.801 1.00 3.78 H new ATOM 0 HZ3 LYS A 6 -19.703 -2.091 -6.456 1.00 3.78 H new ATOM 110 N THR A 7 -14.358 -1.208 -8.325 1.00 1.23 N ATOM 111 CA THR A 7 -13.121 -0.840 -9.029 1.00 1.25 C ATOM 112 C THR A 7 -12.137 -0.496 -7.908 1.00 0.98 C ATOM 113 O THR A 7 -11.008 -0.941 -7.901 1.00 0.93 O ATOM 114 CB THR A 7 -13.461 0.348 -9.922 1.00 1.53 C ATOM 115 OG1 THR A 7 -14.667 -0.071 -10.552 1.00 1.77 O ATOM 116 CG2 THR A 7 -12.457 0.487 -11.078 1.00 1.82 C ATOM 0 H THR A 7 -15.124 -0.537 -8.373 1.00 1.23 H new ATOM 0 HA THR A 7 -12.690 -1.610 -9.668 1.00 1.25 H new ATOM 0 HB THR A 7 -13.488 1.274 -9.348 1.00 1.53 H new ATOM 0 HG1 THR A 7 -14.981 0.632 -11.158 1.00 1.77 H new ATOM 0 HG21 THR A 7 -12.729 1.343 -11.695 1.00 1.82 H new ATOM 0 HG22 THR A 7 -11.455 0.634 -10.674 1.00 1.82 H new ATOM 0 HG23 THR A 7 -12.474 -0.418 -11.686 1.00 1.82 H new ATOM 124 N ALA A 8 -12.606 0.288 -6.976 1.00 0.87 N ATOM 125 CA ALA A 8 -11.723 0.687 -5.848 1.00 0.79 C ATOM 126 C ALA A 8 -11.338 -0.545 -5.062 1.00 0.62 C ATOM 127 O ALA A 8 -10.241 -0.647 -4.553 1.00 0.70 O ATOM 128 CB ALA A 8 -12.456 1.656 -4.929 1.00 0.81 C ATOM 0 H ALA A 8 -13.553 0.665 -6.948 1.00 0.87 H new ATOM 0 HA ALA A 8 -10.832 1.173 -6.244 1.00 0.79 H new ATOM 0 HB1 ALA A 8 -11.801 1.943 -4.106 1.00 0.81 H new ATOM 0 HB2 ALA A 8 -12.742 2.545 -5.491 1.00 0.81 H new ATOM 0 HB3 ALA A 8 -13.350 1.175 -4.531 1.00 0.81 H new ATOM 134 N LEU A 9 -12.267 -1.450 -4.986 1.00 0.59 N ATOM 135 CA LEU A 9 -12.011 -2.706 -4.242 1.00 0.73 C ATOM 136 C LEU A 9 -10.803 -3.343 -4.896 1.00 0.60 C ATOM 137 O LEU A 9 -9.835 -3.705 -4.259 1.00 0.61 O ATOM 138 CB LEU A 9 -13.247 -3.612 -4.365 1.00 1.09 C ATOM 139 CG LEU A 9 -13.028 -4.981 -3.711 1.00 1.65 C ATOM 140 CD1 LEU A 9 -12.642 -4.833 -2.234 1.00 1.96 C ATOM 141 CD2 LEU A 9 -14.336 -5.774 -3.794 1.00 2.37 C ATOM 0 H LEU A 9 -13.193 -1.374 -5.407 1.00 0.59 H new ATOM 0 HA LEU A 9 -11.824 -2.536 -3.182 1.00 0.73 H new ATOM 0 HB2 LEU A 9 -14.103 -3.122 -3.900 1.00 1.09 H new ATOM 0 HB3 LEU A 9 -13.492 -3.749 -5.418 1.00 1.09 H new ATOM 0 HG LEU A 9 -12.220 -5.493 -4.234 1.00 1.65 H new ATOM 0 HD11 LEU A 9 -12.493 -5.820 -1.796 1.00 1.96 H new ATOM 0 HD12 LEU A 9 -11.719 -4.258 -2.155 1.00 1.96 H new ATOM 0 HD13 LEU A 9 -13.439 -4.316 -1.700 1.00 1.96 H new ATOM 0 HD21 LEU A 9 -14.198 -6.752 -3.333 1.00 2.37 H new ATOM 0 HD22 LEU A 9 -15.123 -5.233 -3.269 1.00 2.37 H new ATOM 0 HD23 LEU A 9 -14.618 -5.902 -4.839 1.00 2.37 H new ATOM 153 N ASN A 10 -10.905 -3.452 -6.185 1.00 0.60 N ATOM 154 CA ASN A 10 -9.787 -4.071 -6.929 1.00 0.63 C ATOM 155 C ASN A 10 -8.514 -3.290 -6.763 1.00 0.57 C ATOM 156 O ASN A 10 -7.454 -3.876 -6.708 1.00 0.57 O ATOM 157 CB ASN A 10 -10.115 -4.148 -8.406 1.00 0.76 C ATOM 158 CG ASN A 10 -10.810 -5.486 -8.631 1.00 1.34 C ATOM 159 OD1 ASN A 10 -10.171 -6.521 -8.578 1.00 1.67 O ATOM 160 ND2 ASN A 10 -12.090 -5.523 -8.877 1.00 2.15 N ATOM 0 H ASN A 10 -11.699 -3.145 -6.746 1.00 0.60 H new ATOM 0 HA ASN A 10 -9.646 -5.072 -6.521 1.00 0.63 H new ATOM 0 HB2 ASN A 10 -10.761 -3.322 -8.703 1.00 0.76 H new ATOM 0 HB3 ASN A 10 -9.209 -4.076 -9.008 1.00 0.76 H new ATOM 0 HD21 ASN A 10 -12.555 -6.419 -9.025 1.00 2.15 H new ATOM 0 HD22 ASN A 10 -12.626 -4.656 -8.922 1.00 2.15 H new ATOM 167 N MET A 11 -8.623 -1.995 -6.687 1.00 0.60 N ATOM 168 CA MET A 11 -7.372 -1.215 -6.529 1.00 0.65 C ATOM 169 C MET A 11 -6.726 -1.571 -5.211 1.00 0.62 C ATOM 170 O MET A 11 -5.526 -1.733 -5.145 1.00 0.68 O ATOM 171 CB MET A 11 -7.661 0.289 -6.550 1.00 0.77 C ATOM 172 CG MET A 11 -8.010 0.711 -7.984 1.00 1.18 C ATOM 173 SD MET A 11 -8.208 2.483 -8.307 1.00 1.98 S ATOM 174 CE MET A 11 -10.013 2.613 -8.296 1.00 2.42 C ATOM 0 H MET A 11 -9.491 -1.460 -6.726 1.00 0.60 H new ATOM 0 HA MET A 11 -6.706 -1.457 -7.357 1.00 0.65 H new ATOM 0 HB2 MET A 11 -8.486 0.523 -5.877 1.00 0.77 H new ATOM 0 HB3 MET A 11 -6.793 0.844 -6.195 1.00 0.77 H new ATOM 0 HG2 MET A 11 -7.230 0.333 -8.645 1.00 1.18 H new ATOM 0 HG3 MET A 11 -8.937 0.212 -8.266 1.00 1.18 H new ATOM 0 HE1 MET A 11 -10.335 3.277 -9.098 1.00 2.42 H new ATOM 0 HE2 MET A 11 -10.450 1.626 -8.445 1.00 2.42 H new ATOM 0 HE3 MET A 11 -10.343 3.014 -7.338 1.00 2.42 H new ATOM 184 N ALA A 12 -7.525 -1.690 -4.190 1.00 0.58 N ATOM 185 CA ALA A 12 -6.934 -2.028 -2.869 1.00 0.62 C ATOM 186 C ALA A 12 -6.189 -3.342 -2.987 1.00 0.56 C ATOM 187 O ALA A 12 -5.094 -3.489 -2.482 1.00 0.57 O ATOM 188 CB ALA A 12 -8.031 -2.177 -1.818 1.00 0.67 C ATOM 0 H ALA A 12 -8.538 -1.571 -4.210 1.00 0.58 H new ATOM 0 HA ALA A 12 -6.257 -1.229 -2.567 1.00 0.62 H new ATOM 0 HB1 ALA A 12 -7.582 -2.425 -0.856 1.00 0.67 H new ATOM 0 HB2 ALA A 12 -8.581 -1.240 -1.731 1.00 0.67 H new ATOM 0 HB3 ALA A 12 -8.714 -2.973 -2.115 1.00 0.67 H new ATOM 194 N ARG A 13 -6.795 -4.278 -3.654 1.00 0.53 N ATOM 195 CA ARG A 13 -6.096 -5.582 -3.787 1.00 0.50 C ATOM 196 C ARG A 13 -4.827 -5.378 -4.578 1.00 0.49 C ATOM 197 O ARG A 13 -3.812 -5.972 -4.277 1.00 0.51 O ATOM 198 CB ARG A 13 -6.984 -6.582 -4.518 1.00 0.51 C ATOM 199 CG ARG A 13 -6.267 -7.943 -4.692 1.00 0.61 C ATOM 200 CD ARG A 13 -5.480 -8.040 -6.031 1.00 1.07 C ATOM 201 NE ARG A 13 -6.405 -8.333 -7.167 1.00 1.86 N ATOM 202 CZ ARG A 13 -7.484 -7.610 -7.349 1.00 2.52 C ATOM 203 NH1 ARG A 13 -7.371 -6.484 -8.020 1.00 3.15 N ATOM 204 NH2 ARG A 13 -8.622 -8.046 -6.849 1.00 3.08 N ATOM 0 H ARG A 13 -7.710 -4.205 -4.099 1.00 0.53 H new ATOM 0 HA ARG A 13 -5.865 -5.969 -2.795 1.00 0.50 H new ATOM 0 HB2 ARG A 13 -7.911 -6.724 -3.962 1.00 0.51 H new ATOM 0 HB3 ARG A 13 -7.257 -6.184 -5.495 1.00 0.51 H new ATOM 0 HG2 ARG A 13 -5.580 -8.096 -3.860 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -7.004 -8.745 -4.649 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -4.952 -7.105 -6.217 1.00 1.07 H new ATOM 0 HD3 ARG A 13 -4.725 -8.823 -5.959 1.00 1.07 H new ATOM 0 HE ARG A 13 -6.196 -9.101 -7.805 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -6.462 -6.195 -8.382 1.00 3.15 H new ATOM 0 HH12 ARG A 13 -8.192 -5.900 -8.178 1.00 3.15 H new ATOM 0 HH21 ARG A 13 -8.649 -8.926 -6.335 1.00 3.08 H new ATOM 0 HH22 ARG A 13 -9.476 -7.503 -6.976 1.00 3.08 H new ATOM 218 N PHE A 14 -4.892 -4.552 -5.579 1.00 0.52 N ATOM 219 CA PHE A 14 -3.656 -4.359 -6.369 1.00 0.54 C ATOM 220 C PHE A 14 -2.594 -3.745 -5.491 1.00 0.57 C ATOM 221 O PHE A 14 -1.430 -4.029 -5.672 1.00 0.59 O ATOM 222 CB PHE A 14 -3.925 -3.441 -7.568 1.00 0.62 C ATOM 223 CG PHE A 14 -4.709 -4.208 -8.650 1.00 1.17 C ATOM 224 CD1 PHE A 14 -4.269 -5.441 -9.102 1.00 2.02 C ATOM 225 CD2 PHE A 14 -5.863 -3.675 -9.197 1.00 1.81 C ATOM 226 CE1 PHE A 14 -4.967 -6.123 -10.077 1.00 2.69 C ATOM 227 CE2 PHE A 14 -6.561 -4.357 -10.172 1.00 2.50 C ATOM 228 CZ PHE A 14 -6.115 -5.582 -10.614 1.00 2.71 C ATOM 0 H PHE A 14 -5.712 -4.022 -5.875 1.00 0.52 H new ATOM 0 HA PHE A 14 -3.317 -5.327 -6.739 1.00 0.54 H new ATOM 0 HB2 PHE A 14 -4.491 -2.566 -7.248 1.00 0.62 H new ATOM 0 HB3 PHE A 14 -2.982 -3.078 -7.978 1.00 0.62 H new ATOM 0 HD1 PHE A 14 -3.370 -5.873 -8.687 1.00 2.02 H new ATOM 0 HD2 PHE A 14 -6.221 -2.715 -8.857 1.00 1.81 H new ATOM 0 HE1 PHE A 14 -4.613 -7.084 -10.420 1.00 2.69 H new ATOM 0 HE2 PHE A 14 -7.460 -3.929 -10.590 1.00 2.50 H new ATOM 0 HZ PHE A 14 -6.662 -6.116 -11.377 1.00 2.71 H new ATOM 238 N ILE A 15 -2.990 -2.926 -4.559 1.00 0.58 N ATOM 239 CA ILE A 15 -1.946 -2.336 -3.693 1.00 0.63 C ATOM 240 C ILE A 15 -1.289 -3.508 -2.996 1.00 0.59 C ATOM 241 O ILE A 15 -0.083 -3.579 -2.886 1.00 0.62 O ATOM 242 CB ILE A 15 -2.595 -1.383 -2.663 1.00 0.69 C ATOM 243 CG1 ILE A 15 -3.140 -0.170 -3.443 1.00 0.79 C ATOM 244 CG2 ILE A 15 -1.574 -0.959 -1.593 1.00 0.82 C ATOM 245 CD1 ILE A 15 -3.375 1.030 -2.520 1.00 0.93 C ATOM 0 H ILE A 15 -3.953 -2.650 -4.366 1.00 0.58 H new ATOM 0 HA ILE A 15 -1.221 -1.752 -4.260 1.00 0.63 H new ATOM 0 HB ILE A 15 -3.407 -1.879 -2.132 1.00 0.69 H new ATOM 0 HG12 ILE A 15 -2.436 0.106 -4.228 1.00 0.79 H new ATOM 0 HG13 ILE A 15 -4.075 -0.442 -3.934 1.00 0.79 H new ATOM 0 HG21 ILE A 15 -2.052 -0.289 -0.879 1.00 0.82 H new ATOM 0 HG22 ILE A 15 -1.206 -1.842 -1.071 1.00 0.82 H new ATOM 0 HG23 ILE A 15 -0.739 -0.445 -2.070 1.00 0.82 H new ATOM 0 HD11 ILE A 15 -3.759 1.867 -3.103 1.00 0.93 H new ATOM 0 HD12 ILE A 15 -4.099 0.761 -1.751 1.00 0.93 H new ATOM 0 HD13 ILE A 15 -2.435 1.317 -2.049 1.00 0.93 H new ATOM 257 N ARG A 16 -2.102 -4.413 -2.543 1.00 0.58 N ATOM 258 CA ARG A 16 -1.515 -5.575 -1.845 1.00 0.58 C ATOM 259 C ARG A 16 -0.590 -6.321 -2.797 1.00 0.55 C ATOM 260 O ARG A 16 0.477 -6.756 -2.411 1.00 0.56 O ATOM 261 CB ARG A 16 -2.633 -6.521 -1.373 1.00 0.60 C ATOM 262 CG ARG A 16 -1.967 -7.709 -0.706 1.00 0.82 C ATOM 263 CD ARG A 16 -3.002 -8.674 -0.154 1.00 1.04 C ATOM 264 NE ARG A 16 -2.283 -9.714 0.637 1.00 1.57 N ATOM 265 CZ ARG A 16 -2.671 -9.926 1.875 1.00 2.08 C ATOM 266 NH1 ARG A 16 -3.948 -10.161 2.081 1.00 2.68 N ATOM 267 NH2 ARG A 16 -1.782 -9.890 2.848 1.00 2.60 N ATOM 0 H ARG A 16 -3.119 -4.400 -2.623 1.00 0.58 H new ATOM 0 HA ARG A 16 -0.950 -5.227 -0.980 1.00 0.58 H new ATOM 0 HB2 ARG A 16 -3.298 -6.012 -0.676 1.00 0.60 H new ATOM 0 HB3 ARG A 16 -3.243 -6.846 -2.216 1.00 0.60 H new ATOM 0 HG2 ARG A 16 -1.331 -8.225 -1.425 1.00 0.82 H new ATOM 0 HG3 ARG A 16 -1.321 -7.363 0.101 1.00 0.82 H new ATOM 0 HD2 ARG A 16 -3.720 -8.146 0.474 1.00 1.04 H new ATOM 0 HD3 ARG A 16 -3.566 -9.134 -0.965 1.00 1.04 H new ATOM 0 HE ARG A 16 -1.513 -10.245 0.230 1.00 1.57 H new ATOM 0 HH11 ARG A 16 -4.598 -10.174 1.295 1.00 2.68 H new ATOM 0 HH12 ARG A 16 -4.289 -10.330 3.027 1.00 2.68 H new ATOM 0 HH21 ARG A 16 -0.803 -9.699 2.637 1.00 2.60 H new ATOM 0 HH22 ARG A 16 -2.074 -10.053 3.812 1.00 2.60 H new ATOM 281 N SER A 17 -1.021 -6.444 -4.017 1.00 0.57 N ATOM 282 CA SER A 17 -0.196 -7.182 -5.001 1.00 0.60 C ATOM 283 C SER A 17 1.175 -6.525 -5.147 1.00 0.56 C ATOM 284 O SER A 17 2.195 -7.180 -5.087 1.00 0.55 O ATOM 285 CB SER A 17 -0.931 -7.180 -6.337 1.00 0.68 C ATOM 286 OG SER A 17 -2.263 -7.564 -6.007 1.00 0.72 O ATOM 0 H SER A 17 -1.901 -6.069 -4.372 1.00 0.57 H new ATOM 0 HA SER A 17 -0.040 -8.206 -4.662 1.00 0.60 H new ATOM 0 HB2 SER A 17 -0.905 -6.195 -6.804 1.00 0.68 H new ATOM 0 HB3 SER A 17 -0.479 -7.878 -7.041 1.00 0.68 H new ATOM 0 HG SER A 17 -2.808 -7.586 -6.821 1.00 0.72 H new ATOM 292 N GLN A 18 1.161 -5.239 -5.330 1.00 0.57 N ATOM 293 CA GLN A 18 2.449 -4.524 -5.500 1.00 0.57 C ATOM 294 C GLN A 18 3.287 -4.734 -4.263 1.00 0.51 C ATOM 295 O GLN A 18 4.466 -5.005 -4.342 1.00 0.51 O ATOM 296 CB GLN A 18 2.173 -3.048 -5.689 1.00 0.65 C ATOM 297 CG GLN A 18 1.358 -2.874 -6.959 1.00 0.91 C ATOM 298 CD GLN A 18 0.872 -1.433 -6.974 1.00 1.11 C ATOM 299 OE1 GLN A 18 -0.315 -1.182 -6.965 1.00 1.80 O ATOM 300 NE2 GLN A 18 1.752 -0.470 -6.993 1.00 1.05 N ATOM 0 H GLN A 18 0.324 -4.658 -5.369 1.00 0.57 H new ATOM 0 HA GLN A 18 2.982 -4.905 -6.371 1.00 0.57 H new ATOM 0 HB2 GLN A 18 1.630 -2.651 -4.832 1.00 0.65 H new ATOM 0 HB3 GLN A 18 3.108 -2.493 -5.759 1.00 0.65 H new ATOM 0 HG2 GLN A 18 1.964 -3.087 -7.840 1.00 0.91 H new ATOM 0 HG3 GLN A 18 0.516 -3.566 -6.976 1.00 0.91 H new ATOM 0 HE21 GLN A 18 2.748 -0.689 -7.000 1.00 1.05 H new ATOM 0 HE22 GLN A 18 1.444 0.502 -7.000 1.00 1.05 H new ATOM 309 N THR A 19 2.649 -4.603 -3.141 1.00 0.48 N ATOM 310 CA THR A 19 3.394 -4.785 -1.886 1.00 0.44 C ATOM 311 C THR A 19 4.018 -6.179 -1.852 1.00 0.43 C ATOM 312 O THR A 19 5.052 -6.365 -1.245 1.00 0.46 O ATOM 313 CB THR A 19 2.401 -4.563 -0.767 1.00 0.46 C ATOM 314 OG1 THR A 19 1.924 -3.251 -1.031 1.00 0.56 O ATOM 315 CG2 THR A 19 3.117 -4.470 0.575 1.00 0.48 C ATOM 0 H THR A 19 1.658 -4.381 -3.044 1.00 0.48 H new ATOM 0 HA THR A 19 4.221 -4.082 -1.786 1.00 0.44 H new ATOM 0 HB THR A 19 1.653 -5.355 -0.724 1.00 0.46 H new ATOM 0 HG1 THR A 19 1.103 -3.302 -1.564 1.00 0.56 H new ATOM 0 HG21 THR A 19 2.386 -4.310 1.367 1.00 0.48 H new ATOM 0 HG22 THR A 19 3.659 -5.397 0.763 1.00 0.48 H new ATOM 0 HG23 THR A 19 3.819 -3.636 0.556 1.00 0.48 H new ATOM 323 N LEU A 20 3.394 -7.124 -2.497 1.00 0.45 N ATOM 324 CA LEU A 20 4.001 -8.478 -2.476 1.00 0.51 C ATOM 325 C LEU A 20 5.321 -8.328 -3.201 1.00 0.53 C ATOM 326 O LEU A 20 6.348 -8.786 -2.750 1.00 0.57 O ATOM 327 CB LEU A 20 3.137 -9.486 -3.236 1.00 0.57 C ATOM 328 CG LEU A 20 3.722 -10.914 -3.119 1.00 0.69 C ATOM 329 CD1 LEU A 20 3.714 -11.400 -1.653 1.00 1.31 C ATOM 330 CD2 LEU A 20 2.868 -11.866 -3.969 1.00 1.25 C ATOM 0 H LEU A 20 2.523 -7.024 -3.019 1.00 0.45 H new ATOM 0 HA LEU A 20 4.106 -8.842 -1.454 1.00 0.51 H new ATOM 0 HB2 LEU A 20 2.121 -9.471 -2.841 1.00 0.57 H new ATOM 0 HB3 LEU A 20 3.075 -9.199 -4.286 1.00 0.57 H new ATOM 0 HG LEU A 20 4.754 -10.901 -3.471 1.00 0.69 H new ATOM 0 HD11 LEU A 20 4.130 -12.406 -1.601 1.00 1.31 H new ATOM 0 HD12 LEU A 20 4.316 -10.726 -1.043 1.00 1.31 H new ATOM 0 HD13 LEU A 20 2.690 -11.411 -1.279 1.00 1.31 H new ATOM 0 HD21 LEU A 20 3.269 -12.877 -3.896 1.00 1.25 H new ATOM 0 HD22 LEU A 20 1.840 -11.856 -3.605 1.00 1.25 H new ATOM 0 HD23 LEU A 20 2.888 -11.542 -5.009 1.00 1.25 H new ATOM 342 N THR A 21 5.259 -7.672 -4.319 1.00 0.59 N ATOM 343 CA THR A 21 6.501 -7.496 -5.091 1.00 0.70 C ATOM 344 C THR A 21 7.521 -6.754 -4.219 1.00 0.63 C ATOM 345 O THR A 21 8.701 -7.036 -4.266 1.00 0.69 O ATOM 346 CB THR A 21 6.137 -6.712 -6.336 1.00 0.85 C ATOM 347 OG1 THR A 21 4.915 -7.313 -6.752 1.00 0.87 O ATOM 348 CG2 THR A 21 7.123 -7.020 -7.476 1.00 1.02 C ATOM 0 H THR A 21 4.418 -7.259 -4.722 1.00 0.59 H new ATOM 0 HA THR A 21 6.951 -8.445 -5.383 1.00 0.70 H new ATOM 0 HB THR A 21 6.115 -5.641 -6.137 1.00 0.85 H new ATOM 0 HG1 THR A 21 4.591 -6.868 -7.563 1.00 0.87 H new ATOM 0 HG21 THR A 21 6.846 -6.448 -8.361 1.00 1.02 H new ATOM 0 HG22 THR A 21 8.132 -6.746 -7.168 1.00 1.02 H new ATOM 0 HG23 THR A 21 7.091 -8.085 -7.707 1.00 1.02 H new ATOM 356 N LEU A 22 7.069 -5.820 -3.433 1.00 0.54 N ATOM 357 CA LEU A 22 8.059 -5.100 -2.591 1.00 0.52 C ATOM 358 C LEU A 22 8.577 -6.038 -1.526 1.00 0.45 C ATOM 359 O LEU A 22 9.692 -5.892 -1.071 1.00 0.49 O ATOM 360 CB LEU A 22 7.427 -3.890 -1.888 1.00 0.59 C ATOM 361 CG LEU A 22 7.465 -2.604 -2.752 1.00 0.89 C ATOM 362 CD1 LEU A 22 8.923 -2.157 -2.979 1.00 1.71 C ATOM 363 CD2 LEU A 22 6.773 -2.816 -4.107 1.00 1.25 C ATOM 0 H LEU A 22 6.095 -5.532 -3.338 1.00 0.54 H new ATOM 0 HA LEU A 22 8.862 -4.753 -3.242 1.00 0.52 H new ATOM 0 HB2 LEU A 22 6.392 -4.122 -1.636 1.00 0.59 H new ATOM 0 HB3 LEU A 22 7.950 -3.707 -0.950 1.00 0.59 H new ATOM 0 HG LEU A 22 6.925 -1.827 -2.211 1.00 0.89 H new ATOM 0 HD11 LEU A 22 8.936 -1.253 -3.587 1.00 1.71 H new ATOM 0 HD12 LEU A 22 9.395 -1.954 -2.018 1.00 1.71 H new ATOM 0 HD13 LEU A 22 9.470 -2.948 -3.493 1.00 1.71 H new ATOM 0 HD21 LEU A 22 6.818 -1.894 -4.687 1.00 1.25 H new ATOM 0 HD22 LEU A 22 7.278 -3.613 -4.653 1.00 1.25 H new ATOM 0 HD23 LEU A 22 5.731 -3.091 -3.944 1.00 1.25 H new ATOM 375 N LEU A 23 7.762 -6.977 -1.152 1.00 0.43 N ATOM 376 CA LEU A 23 8.203 -7.929 -0.106 1.00 0.44 C ATOM 377 C LEU A 23 9.446 -8.581 -0.679 1.00 0.48 C ATOM 378 O LEU A 23 10.477 -8.685 -0.044 1.00 0.52 O ATOM 379 CB LEU A 23 7.102 -8.978 0.128 1.00 0.53 C ATOM 380 CG LEU A 23 7.411 -9.856 1.347 1.00 0.73 C ATOM 381 CD1 LEU A 23 7.254 -9.025 2.618 1.00 1.08 C ATOM 382 CD2 LEU A 23 6.398 -11.011 1.389 1.00 1.05 C ATOM 0 H LEU A 23 6.822 -7.126 -1.520 1.00 0.43 H new ATOM 0 HA LEU A 23 8.402 -7.447 0.851 1.00 0.44 H new ATOM 0 HB2 LEU A 23 6.145 -8.476 0.273 1.00 0.53 H new ATOM 0 HB3 LEU A 23 7.002 -9.606 -0.758 1.00 0.53 H new ATOM 0 HG LEU A 23 8.428 -10.242 1.278 1.00 0.73 H new ATOM 0 HD11 LEU A 23 7.473 -9.645 3.487 1.00 1.08 H new ATOM 0 HD12 LEU A 23 7.945 -8.183 2.590 1.00 1.08 H new ATOM 0 HD13 LEU A 23 6.232 -8.653 2.686 1.00 1.08 H new ATOM 0 HD21 LEU A 23 6.605 -11.645 2.251 1.00 1.05 H new ATOM 0 HD22 LEU A 23 5.389 -10.607 1.469 1.00 1.05 H new ATOM 0 HD23 LEU A 23 6.481 -11.601 0.476 1.00 1.05 H new ATOM 394 N GLU A 24 9.284 -8.998 -1.898 1.00 0.57 N ATOM 395 CA GLU A 24 10.394 -9.672 -2.610 1.00 0.71 C ATOM 396 C GLU A 24 11.601 -8.761 -2.727 1.00 0.67 C ATOM 397 O GLU A 24 12.640 -9.022 -2.170 1.00 0.69 O ATOM 398 CB GLU A 24 9.977 -10.023 -4.016 1.00 0.90 C ATOM 399 CG GLU A 24 8.686 -10.815 -4.054 1.00 1.37 C ATOM 400 CD GLU A 24 8.159 -10.701 -5.483 1.00 1.52 C ATOM 401 OE1 GLU A 24 8.951 -10.296 -6.323 1.00 1.83 O ATOM 402 OE2 GLU A 24 6.998 -11.018 -5.653 1.00 1.84 O ATOM 0 H GLU A 24 8.423 -8.899 -2.435 1.00 0.57 H new ATOM 0 HA GLU A 24 10.644 -10.565 -2.036 1.00 0.71 H new ATOM 0 HB2 GLU A 24 9.856 -9.108 -4.595 1.00 0.90 H new ATOM 0 HB3 GLU A 24 10.769 -10.600 -4.494 1.00 0.90 H new ATOM 0 HG2 GLU A 24 8.860 -11.857 -3.785 1.00 1.37 H new ATOM 0 HG3 GLU A 24 7.964 -10.418 -3.340 1.00 1.37 H new ATOM 409 N LYS A 25 11.423 -7.701 -3.459 1.00 0.67 N ATOM 410 CA LYS A 25 12.546 -6.761 -3.702 1.00 0.72 C ATOM 411 C LYS A 25 13.278 -6.375 -2.435 1.00 0.68 C ATOM 412 O LYS A 25 14.488 -6.429 -2.390 1.00 0.75 O ATOM 413 CB LYS A 25 11.988 -5.514 -4.386 1.00 0.81 C ATOM 414 CG LYS A 25 11.303 -5.936 -5.714 1.00 0.95 C ATOM 415 CD LYS A 25 12.348 -6.440 -6.720 1.00 1.36 C ATOM 416 CE LYS A 25 11.822 -7.720 -7.412 1.00 1.57 C ATOM 417 NZ LYS A 25 11.492 -8.780 -6.419 1.00 1.86 N ATOM 0 H LYS A 25 10.541 -7.444 -3.902 1.00 0.67 H new ATOM 0 HA LYS A 25 13.277 -7.263 -4.336 1.00 0.72 H new ATOM 0 HB2 LYS A 25 11.272 -5.015 -3.734 1.00 0.81 H new ATOM 0 HB3 LYS A 25 12.789 -4.802 -4.584 1.00 0.81 H new ATOM 0 HG2 LYS A 25 10.570 -6.718 -5.519 1.00 0.95 H new ATOM 0 HG3 LYS A 25 10.762 -5.089 -6.136 1.00 0.95 H new ATOM 0 HD2 LYS A 25 12.554 -5.670 -7.464 1.00 1.36 H new ATOM 0 HD3 LYS A 25 13.288 -6.650 -6.210 1.00 1.36 H new ATOM 0 HE2 LYS A 25 10.935 -7.480 -7.998 1.00 1.57 H new ATOM 0 HE3 LYS A 25 12.573 -8.093 -8.109 1.00 1.57 H new ATOM 0 HZ1 LYS A 25 12.173 -9.561 -6.506 1.00 1.86 H new ATOM 0 HZ2 LYS A 25 11.541 -8.384 -5.459 1.00 1.86 H new ATOM 0 HZ3 LYS A 25 10.531 -9.136 -6.598 1.00 1.86 H new ATOM 431 N LEU A 26 12.554 -5.993 -1.429 1.00 0.65 N ATOM 432 CA LEU A 26 13.266 -5.614 -0.182 1.00 0.67 C ATOM 433 C LEU A 26 14.049 -6.822 0.292 1.00 0.65 C ATOM 434 O LEU A 26 15.152 -6.696 0.780 1.00 0.73 O ATOM 435 CB LEU A 26 12.251 -5.193 0.881 1.00 0.68 C ATOM 436 CG LEU A 26 11.940 -3.677 0.748 1.00 0.80 C ATOM 437 CD1 LEU A 26 11.569 -3.275 -0.696 1.00 1.21 C ATOM 438 CD2 LEU A 26 10.741 -3.353 1.651 1.00 1.22 C ATOM 0 H LEU A 26 11.536 -5.927 -1.410 1.00 0.65 H new ATOM 0 HA LEU A 26 13.941 -4.777 -0.363 1.00 0.67 H new ATOM 0 HB2 LEU A 26 11.334 -5.772 0.770 1.00 0.68 H new ATOM 0 HB3 LEU A 26 12.644 -5.406 1.875 1.00 0.68 H new ATOM 0 HG LEU A 26 12.836 -3.126 1.033 1.00 0.80 H new ATOM 0 HD11 LEU A 26 11.361 -2.206 -0.734 1.00 1.21 H new ATOM 0 HD12 LEU A 26 12.399 -3.507 -1.363 1.00 1.21 H new ATOM 0 HD13 LEU A 26 10.684 -3.828 -1.012 1.00 1.21 H new ATOM 0 HD21 LEU A 26 10.504 -2.292 1.574 1.00 1.22 H new ATOM 0 HD22 LEU A 26 9.879 -3.941 1.336 1.00 1.22 H new ATOM 0 HD23 LEU A 26 10.988 -3.595 2.685 1.00 1.22 H new ATOM 450 N ASN A 27 13.459 -7.969 0.134 1.00 0.60 N ATOM 451 CA ASN A 27 14.157 -9.206 0.574 1.00 0.66 C ATOM 452 C ASN A 27 15.447 -9.370 -0.222 1.00 0.68 C ATOM 453 O ASN A 27 16.469 -9.740 0.317 1.00 0.79 O ATOM 454 CB ASN A 27 13.276 -10.418 0.323 1.00 0.76 C ATOM 455 CG ASN A 27 13.885 -11.621 1.024 1.00 1.02 C ATOM 456 OD1 ASN A 27 14.775 -12.277 0.518 1.00 1.70 O ATOM 457 ND2 ASN A 27 13.421 -11.939 2.199 1.00 1.70 N ATOM 0 H ASN A 27 12.535 -8.105 -0.276 1.00 0.60 H new ATOM 0 HA ASN A 27 14.377 -9.127 1.639 1.00 0.66 H new ATOM 0 HB2 ASN A 27 12.268 -10.235 0.695 1.00 0.76 H new ATOM 0 HB3 ASN A 27 13.191 -10.608 -0.747 1.00 0.76 H new ATOM 0 HD21 ASN A 27 13.804 -12.741 2.699 1.00 1.70 H new ATOM 0 HD22 ASN A 27 12.674 -11.386 2.619 1.00 1.70 H new ATOM 464 N GLU A 28 15.366 -9.084 -1.493 1.00 0.70 N ATOM 465 CA GLU A 28 16.563 -9.221 -2.368 1.00 0.83 C ATOM 466 C GLU A 28 17.643 -8.283 -1.872 1.00 0.86 C ATOM 467 O GLU A 28 18.817 -8.587 -1.899 1.00 0.97 O ATOM 468 CB GLU A 28 16.219 -8.833 -3.799 1.00 1.00 C ATOM 469 CG GLU A 28 15.091 -9.715 -4.327 1.00 1.12 C ATOM 470 CD GLU A 28 14.700 -9.211 -5.711 1.00 1.86 C ATOM 471 OE1 GLU A 28 15.135 -8.124 -6.052 1.00 2.24 O ATOM 472 OE2 GLU A 28 13.978 -9.941 -6.362 1.00 2.61 O ATOM 0 H GLU A 28 14.520 -8.761 -1.963 1.00 0.70 H new ATOM 0 HA GLU A 28 16.902 -10.257 -2.341 1.00 0.83 H new ATOM 0 HB2 GLU A 28 15.920 -7.786 -3.838 1.00 1.00 H new ATOM 0 HB3 GLU A 28 17.099 -8.937 -4.433 1.00 1.00 H new ATOM 0 HG2 GLU A 28 15.414 -10.755 -4.378 1.00 1.12 H new ATOM 0 HG3 GLU A 28 14.234 -9.680 -3.654 1.00 1.12 H new ATOM 479 N LEU A 29 17.191 -7.153 -1.422 1.00 0.84 N ATOM 480 CA LEU A 29 18.127 -6.114 -0.918 1.00 0.98 C ATOM 481 C LEU A 29 18.368 -6.388 0.552 1.00 1.03 C ATOM 482 O LEU A 29 18.573 -5.448 1.295 1.00 1.19 O ATOM 483 CB LEU A 29 17.473 -4.758 -1.093 1.00 1.02 C ATOM 484 CG LEU A 29 17.016 -4.599 -2.559 1.00 1.07 C ATOM 485 CD1 LEU A 29 16.041 -3.425 -2.655 1.00 1.79 C ATOM 486 CD2 LEU A 29 18.236 -4.317 -3.443 1.00 1.43 C ATOM 0 H LEU A 29 16.204 -6.900 -1.380 1.00 0.84 H new ATOM 0 HA LEU A 29 19.073 -6.130 -1.459 1.00 0.98 H new ATOM 0 HB2 LEU A 29 16.620 -4.663 -0.421 1.00 1.02 H new ATOM 0 HB3 LEU A 29 18.175 -3.966 -0.831 1.00 1.02 H new ATOM 0 HG LEU A 29 16.526 -5.514 -2.893 1.00 1.07 H new ATOM 0 HD11 LEU A 29 15.714 -3.307 -3.688 1.00 1.79 H new ATOM 0 HD12 LEU A 29 15.176 -3.618 -2.020 1.00 1.79 H new ATOM 0 HD13 LEU A 29 16.537 -2.512 -2.325 1.00 1.79 H new ATOM 0 HD21 LEU A 29 17.916 -4.204 -4.479 1.00 1.43 H new ATOM 0 HD22 LEU A 29 18.721 -3.399 -3.111 1.00 1.43 H new ATOM 0 HD23 LEU A 29 18.939 -5.147 -3.368 1.00 1.43 H new ATOM 498 N ASP A 30 18.318 -7.655 0.891 1.00 0.98 N ATOM 499 CA ASP A 30 18.497 -8.196 2.280 1.00 1.11 C ATOM 500 C ASP A 30 17.791 -7.354 3.313 1.00 1.16 C ATOM 501 O ASP A 30 18.018 -7.494 4.499 1.00 1.63 O ATOM 502 CB ASP A 30 19.987 -8.272 2.693 1.00 1.35 C ATOM 503 CG ASP A 30 20.591 -6.887 2.910 1.00 1.82 C ATOM 504 OD1 ASP A 30 21.061 -6.354 1.922 1.00 2.23 O ATOM 505 OD2 ASP A 30 20.553 -6.443 4.046 1.00 2.45 O ATOM 0 H ASP A 30 18.147 -8.390 0.205 1.00 0.98 H new ATOM 0 HA ASP A 30 18.065 -9.196 2.249 1.00 1.11 H new ATOM 0 HB2 ASP A 30 20.080 -8.856 3.609 1.00 1.35 H new ATOM 0 HB3 ASP A 30 20.551 -8.797 1.922 1.00 1.35 H new ATOM 510 N ALA A 31 16.928 -6.511 2.839 1.00 0.84 N ATOM 511 CA ALA A 31 16.183 -5.608 3.729 1.00 0.87 C ATOM 512 C ALA A 31 14.961 -6.395 4.118 1.00 0.76 C ATOM 513 O ALA A 31 13.848 -5.955 3.919 1.00 0.75 O ATOM 514 CB ALA A 31 15.777 -4.344 2.978 1.00 0.89 C ATOM 0 H ALA A 31 16.706 -6.412 1.848 1.00 0.84 H new ATOM 0 HA ALA A 31 16.770 -5.291 4.591 1.00 0.87 H new ATOM 0 HB1 ALA A 31 15.226 -3.684 3.648 1.00 0.89 H new ATOM 0 HB2 ALA A 31 16.669 -3.833 2.617 1.00 0.89 H new ATOM 0 HB3 ALA A 31 15.145 -4.611 2.131 1.00 0.89 H new ATOM 520 N ASP A 32 15.204 -7.549 4.666 1.00 0.85 N ATOM 521 CA ASP A 32 14.064 -8.405 5.056 1.00 0.87 C ATOM 522 C ASP A 32 13.306 -7.781 6.197 1.00 0.79 C ATOM 523 O ASP A 32 12.112 -7.949 6.295 1.00 0.74 O ATOM 524 CB ASP A 32 14.536 -9.764 5.507 1.00 1.11 C ATOM 525 CG ASP A 32 13.274 -10.594 5.712 1.00 2.05 C ATOM 526 OD1 ASP A 32 12.629 -10.835 4.704 1.00 2.57 O ATOM 527 OD2 ASP A 32 13.035 -10.932 6.856 1.00 2.83 O ATOM 0 H ASP A 32 16.131 -7.930 4.857 1.00 0.85 H new ATOM 0 HA ASP A 32 13.423 -8.507 4.180 1.00 0.87 H new ATOM 0 HB2 ASP A 32 15.187 -10.220 4.761 1.00 1.11 H new ATOM 0 HB3 ASP A 32 15.111 -9.692 6.430 1.00 1.11 H new ATOM 532 N GLU A 33 13.976 -7.066 7.055 1.00 0.86 N ATOM 533 CA GLU A 33 13.176 -6.469 8.151 1.00 0.90 C ATOM 534 C GLU A 33 12.277 -5.439 7.492 1.00 0.78 C ATOM 535 O GLU A 33 11.176 -5.181 7.932 1.00 0.79 O ATOM 536 CB GLU A 33 14.084 -5.783 9.218 1.00 1.07 C ATOM 537 CG GLU A 33 15.547 -5.620 8.789 1.00 1.58 C ATOM 538 CD GLU A 33 15.613 -4.563 7.708 1.00 1.74 C ATOM 539 OE1 GLU A 33 15.502 -3.405 8.066 1.00 2.11 O ATOM 540 OE2 GLU A 33 15.770 -4.974 6.579 1.00 2.15 O ATOM 0 H GLU A 33 14.978 -6.878 7.050 1.00 0.86 H new ATOM 0 HA GLU A 33 12.608 -7.237 8.676 1.00 0.90 H new ATOM 0 HB2 GLU A 33 13.674 -4.800 9.450 1.00 1.07 H new ATOM 0 HB3 GLU A 33 14.050 -6.368 10.137 1.00 1.07 H new ATOM 0 HG2 GLU A 33 16.162 -5.330 9.641 1.00 1.58 H new ATOM 0 HG3 GLU A 33 15.941 -6.566 8.419 1.00 1.58 H new ATOM 547 N GLN A 34 12.751 -4.850 6.435 1.00 0.71 N ATOM 548 CA GLN A 34 11.866 -3.867 5.773 1.00 0.67 C ATOM 549 C GLN A 34 10.795 -4.682 5.084 1.00 0.57 C ATOM 550 O GLN A 34 9.683 -4.229 4.905 1.00 0.53 O ATOM 551 CB GLN A 34 12.611 -3.069 4.723 1.00 0.72 C ATOM 552 CG GLN A 34 13.723 -2.297 5.390 1.00 0.88 C ATOM 553 CD GLN A 34 13.070 -1.300 6.339 1.00 1.49 C ATOM 554 OE1 GLN A 34 12.229 -0.519 5.936 1.00 2.26 O ATOM 555 NE2 GLN A 34 13.416 -1.291 7.595 1.00 1.80 N ATOM 0 H GLN A 34 13.670 -4.997 6.017 1.00 0.71 H new ATOM 0 HA GLN A 34 11.468 -3.162 6.503 1.00 0.67 H new ATOM 0 HB2 GLN A 34 13.019 -3.735 3.963 1.00 0.72 H new ATOM 0 HB3 GLN A 34 11.930 -2.386 4.216 1.00 0.72 H new ATOM 0 HG2 GLN A 34 14.386 -2.969 5.934 1.00 0.88 H new ATOM 0 HG3 GLN A 34 14.332 -1.780 4.648 1.00 0.88 H new ATOM 0 HE21 GLN A 34 14.121 -1.945 7.934 1.00 1.80 H new ATOM 0 HE22 GLN A 34 12.982 -0.630 8.239 1.00 1.80 H new ATOM 564 N ALA A 35 11.155 -5.874 4.706 1.00 0.58 N ATOM 565 CA ALA A 35 10.144 -6.716 4.024 1.00 0.56 C ATOM 566 C ALA A 35 9.098 -7.045 5.068 1.00 0.56 C ATOM 567 O ALA A 35 7.943 -7.200 4.744 1.00 0.54 O ATOM 568 CB ALA A 35 10.760 -8.020 3.504 1.00 0.65 C ATOM 0 H ALA A 35 12.077 -6.291 4.835 1.00 0.58 H new ATOM 0 HA ALA A 35 9.728 -6.187 3.166 1.00 0.56 H new ATOM 0 HB1 ALA A 35 9.991 -8.614 3.009 1.00 0.65 H new ATOM 0 HB2 ALA A 35 11.554 -7.789 2.793 1.00 0.65 H new ATOM 0 HB3 ALA A 35 11.174 -8.585 4.339 1.00 0.65 H new ATOM 574 N ASP A 36 9.505 -7.148 6.301 1.00 0.62 N ATOM 575 CA ASP A 36 8.491 -7.459 7.345 1.00 0.67 C ATOM 576 C ASP A 36 7.499 -6.333 7.357 1.00 0.60 C ATOM 577 O ASP A 36 6.304 -6.528 7.297 1.00 0.62 O ATOM 578 CB ASP A 36 9.083 -7.521 8.732 1.00 0.79 C ATOM 579 CG ASP A 36 7.900 -7.387 9.686 1.00 1.21 C ATOM 580 OD1 ASP A 36 7.149 -8.345 9.747 1.00 1.65 O ATOM 581 OD2 ASP A 36 7.818 -6.333 10.293 1.00 1.67 O ATOM 0 H ASP A 36 10.465 -7.035 6.625 1.00 0.62 H new ATOM 0 HA ASP A 36 8.055 -8.429 7.107 1.00 0.67 H new ATOM 0 HB2 ASP A 36 9.611 -8.461 8.892 1.00 0.79 H new ATOM 0 HB3 ASP A 36 9.805 -6.719 8.887 1.00 0.79 H new ATOM 586 N ILE A 37 8.042 -5.157 7.434 1.00 0.55 N ATOM 587 CA ILE A 37 7.156 -3.972 7.448 1.00 0.52 C ATOM 588 C ILE A 37 6.321 -4.022 6.168 1.00 0.47 C ATOM 589 O ILE A 37 5.176 -3.614 6.138 1.00 0.50 O ATOM 590 CB ILE A 37 8.033 -2.709 7.490 1.00 0.53 C ATOM 591 CG1 ILE A 37 8.931 -2.781 8.745 1.00 0.68 C ATOM 592 CG2 ILE A 37 7.132 -1.462 7.574 1.00 0.57 C ATOM 593 CD1 ILE A 37 9.901 -1.590 8.770 1.00 1.12 C ATOM 0 H ILE A 37 9.043 -4.967 7.487 1.00 0.55 H new ATOM 0 HA ILE A 37 6.496 -3.959 8.316 1.00 0.52 H new ATOM 0 HB ILE A 37 8.647 -2.647 6.591 1.00 0.53 H new ATOM 0 HG12 ILE A 37 8.314 -2.776 9.644 1.00 0.68 H new ATOM 0 HG13 ILE A 37 9.491 -3.716 8.748 1.00 0.68 H new ATOM 0 HG21 ILE A 37 7.752 -0.566 7.604 1.00 0.57 H new ATOM 0 HG22 ILE A 37 6.481 -1.424 6.700 1.00 0.57 H new ATOM 0 HG23 ILE A 37 6.524 -1.513 8.477 1.00 0.57 H new ATOM 0 HD11 ILE A 37 10.529 -1.651 9.659 1.00 1.12 H new ATOM 0 HD12 ILE A 37 10.529 -1.614 7.879 1.00 1.12 H new ATOM 0 HD13 ILE A 37 9.334 -0.659 8.789 1.00 1.12 H new ATOM 605 N CYS A 38 6.919 -4.532 5.133 1.00 0.45 N ATOM 606 CA CYS A 38 6.179 -4.595 3.849 1.00 0.47 C ATOM 607 C CYS A 38 5.114 -5.675 3.899 1.00 0.50 C ATOM 608 O CYS A 38 4.130 -5.564 3.200 1.00 0.57 O ATOM 609 CB CYS A 38 7.142 -4.900 2.701 1.00 0.48 C ATOM 610 SG CYS A 38 6.462 -4.871 1.025 1.00 0.70 S ATOM 0 H CYS A 38 7.870 -4.901 5.119 1.00 0.45 H new ATOM 0 HA CYS A 38 5.704 -3.628 3.684 1.00 0.47 H new ATOM 0 HB2 CYS A 38 7.961 -4.182 2.746 1.00 0.48 H new ATOM 0 HB3 CYS A 38 7.573 -5.886 2.874 1.00 0.48 H new ATOM 0 HG CYS A 38 6.010 -6.051 0.720 1.00 0.70 H new ATOM 616 N GLU A 39 5.298 -6.690 4.692 1.00 0.54 N ATOM 617 CA GLU A 39 4.247 -7.737 4.738 1.00 0.62 C ATOM 618 C GLU A 39 3.141 -7.128 5.556 1.00 0.58 C ATOM 619 O GLU A 39 1.969 -7.258 5.272 1.00 0.57 O ATOM 620 CB GLU A 39 4.790 -9.008 5.416 1.00 0.75 C ATOM 621 CG GLU A 39 3.655 -10.012 5.679 1.00 1.35 C ATOM 622 CD GLU A 39 2.820 -10.214 4.415 1.00 2.07 C ATOM 623 OE1 GLU A 39 3.432 -10.342 3.368 1.00 2.39 O ATOM 624 OE2 GLU A 39 1.609 -10.226 4.567 1.00 2.82 O ATOM 0 H GLU A 39 6.107 -6.838 5.295 1.00 0.54 H new ATOM 0 HA GLU A 39 3.908 -8.033 3.745 1.00 0.62 H new ATOM 0 HB2 GLU A 39 5.549 -9.468 4.783 1.00 0.75 H new ATOM 0 HB3 GLU A 39 5.275 -8.746 6.356 1.00 0.75 H new ATOM 0 HG2 GLU A 39 4.072 -10.965 6.003 1.00 1.35 H new ATOM 0 HG3 GLU A 39 3.020 -9.650 6.488 1.00 1.35 H new ATOM 631 N SER A 40 3.542 -6.453 6.584 1.00 0.63 N ATOM 632 CA SER A 40 2.520 -5.812 7.418 1.00 0.64 C ATOM 633 C SER A 40 1.770 -4.862 6.489 1.00 0.58 C ATOM 634 O SER A 40 0.589 -4.640 6.639 1.00 0.63 O ATOM 635 CB SER A 40 3.252 -5.096 8.538 1.00 0.72 C ATOM 636 OG SER A 40 4.011 -6.157 9.103 1.00 0.77 O ATOM 0 H SER A 40 4.511 -6.321 6.875 1.00 0.63 H new ATOM 0 HA SER A 40 1.805 -6.496 7.875 1.00 0.64 H new ATOM 0 HB2 SER A 40 3.886 -4.291 8.165 1.00 0.72 H new ATOM 0 HB3 SER A 40 2.566 -4.653 9.260 1.00 0.72 H new ATOM 0 HG SER A 40 4.542 -5.816 9.853 1.00 0.77 H new ATOM 642 N LEU A 41 2.473 -4.320 5.537 1.00 0.54 N ATOM 643 CA LEU A 41 1.801 -3.386 4.599 1.00 0.53 C ATOM 644 C LEU A 41 0.936 -4.232 3.675 1.00 0.50 C ATOM 645 O LEU A 41 -0.136 -3.839 3.268 1.00 0.55 O ATOM 646 CB LEU A 41 2.845 -2.645 3.764 1.00 0.56 C ATOM 647 CG LEU A 41 2.206 -1.453 3.017 1.00 0.63 C ATOM 648 CD1 LEU A 41 1.937 -0.318 4.007 1.00 1.05 C ATOM 649 CD2 LEU A 41 3.168 -0.936 1.939 1.00 1.22 C ATOM 0 H LEU A 41 3.466 -4.480 5.370 1.00 0.54 H new ATOM 0 HA LEU A 41 1.207 -2.653 5.145 1.00 0.53 H new ATOM 0 HB2 LEU A 41 3.647 -2.287 4.410 1.00 0.56 H new ATOM 0 HB3 LEU A 41 3.296 -3.330 3.046 1.00 0.56 H new ATOM 0 HG LEU A 41 1.275 -1.784 2.556 1.00 0.63 H new ATOM 0 HD11 LEU A 41 1.486 0.524 3.482 1.00 1.05 H new ATOM 0 HD12 LEU A 41 1.257 -0.667 4.784 1.00 1.05 H new ATOM 0 HD13 LEU A 41 2.876 -0.001 4.461 1.00 1.05 H new ATOM 0 HD21 LEU A 41 2.711 -0.096 1.416 1.00 1.22 H new ATOM 0 HD22 LEU A 41 4.097 -0.611 2.406 1.00 1.22 H new ATOM 0 HD23 LEU A 41 3.380 -1.734 1.227 1.00 1.22 H new ATOM 661 N HIS A 42 1.452 -5.386 3.378 1.00 0.50 N ATOM 662 CA HIS A 42 0.757 -6.331 2.460 1.00 0.53 C ATOM 663 C HIS A 42 -0.627 -6.655 2.993 1.00 0.55 C ATOM 664 O HIS A 42 -1.607 -6.407 2.319 1.00 0.63 O ATOM 665 CB HIS A 42 1.612 -7.609 2.345 1.00 0.54 C ATOM 666 CG HIS A 42 1.194 -8.573 1.227 1.00 0.60 C ATOM 667 ND1 HIS A 42 0.957 -8.276 -0.011 1.00 0.61 N ATOM 668 CD2 HIS A 42 0.995 -9.945 1.290 1.00 1.21 C ATOM 669 CE1 HIS A 42 0.642 -9.354 -0.657 1.00 0.64 C ATOM 670 NE2 HIS A 42 0.651 -10.413 0.109 1.00 1.13 N ATOM 0 H HIS A 42 2.344 -5.724 3.739 1.00 0.50 H new ATOM 0 HA HIS A 42 0.636 -5.881 1.475 1.00 0.53 H new ATOM 0 HB2 HIS A 42 2.651 -7.320 2.185 1.00 0.54 H new ATOM 0 HB3 HIS A 42 1.573 -8.141 3.296 1.00 0.54 H new ATOM 0 HD1 HIS A 42 1.010 -7.341 -0.414 1.00 0.61 H new ATOM 0 HD2 HIS A 42 1.107 -10.544 2.182 1.00 1.21 H new ATOM 0 HE1 HIS A 42 0.399 -9.375 -1.709 1.00 0.64 H new ATOM 678 N ASP A 43 -0.720 -7.192 4.178 1.00 0.56 N ATOM 679 CA ASP A 43 -2.096 -7.517 4.653 1.00 0.64 C ATOM 680 C ASP A 43 -2.813 -6.304 5.196 1.00 0.60 C ATOM 681 O ASP A 43 -4.023 -6.265 5.196 1.00 0.62 O ATOM 682 CB ASP A 43 -2.083 -8.549 5.769 1.00 0.80 C ATOM 683 CG ASP A 43 -3.514 -9.080 5.855 1.00 1.22 C ATOM 684 OD1 ASP A 43 -3.878 -9.775 4.922 1.00 1.51 O ATOM 685 OD2 ASP A 43 -4.177 -8.774 6.829 1.00 1.86 O ATOM 0 H ASP A 43 0.050 -7.411 4.810 1.00 0.56 H new ATOM 0 HA ASP A 43 -2.613 -7.905 3.775 1.00 0.64 H new ATOM 0 HB2 ASP A 43 -1.379 -9.352 5.552 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -1.774 -8.101 6.713 1.00 0.80 H new ATOM 690 N HIS A 44 -2.084 -5.328 5.654 1.00 0.60 N ATOM 691 CA HIS A 44 -2.797 -4.126 6.177 1.00 0.63 C ATOM 692 C HIS A 44 -3.518 -3.551 4.974 1.00 0.60 C ATOM 693 O HIS A 44 -4.610 -3.028 5.061 1.00 0.68 O ATOM 694 CB HIS A 44 -1.783 -3.114 6.725 1.00 0.65 C ATOM 695 CG HIS A 44 -2.443 -1.856 7.308 1.00 1.02 C ATOM 696 ND1 HIS A 44 -3.495 -1.247 6.864 1.00 1.67 N ATOM 697 CD2 HIS A 44 -2.061 -1.109 8.412 1.00 1.54 C ATOM 698 CE1 HIS A 44 -3.749 -0.221 7.610 1.00 2.24 C ATOM 699 NE2 HIS A 44 -2.884 -0.096 8.585 1.00 2.16 N ATOM 0 H HIS A 44 -1.065 -5.304 5.691 1.00 0.60 H new ATOM 0 HA HIS A 44 -3.482 -4.367 6.990 1.00 0.63 H new ATOM 0 HB2 HIS A 44 -1.182 -3.593 7.498 1.00 0.65 H new ATOM 0 HB3 HIS A 44 -1.101 -2.822 5.926 1.00 0.65 H new ATOM 0 HD1 HIS A 44 -4.040 -1.532 6.051 1.00 1.67 H new ATOM 0 HD2 HIS A 44 -1.210 -1.327 9.040 1.00 1.54 H new ATOM 0 HE1 HIS A 44 -4.577 0.453 7.448 1.00 2.24 H new ATOM 707 N ALA A 45 -2.880 -3.664 3.846 1.00 0.57 N ATOM 708 CA ALA A 45 -3.528 -3.125 2.627 1.00 0.62 C ATOM 709 C ALA A 45 -4.728 -4.005 2.391 1.00 0.59 C ATOM 710 O ALA A 45 -5.775 -3.566 1.961 1.00 0.61 O ATOM 711 CB ALA A 45 -2.603 -3.230 1.419 1.00 0.70 C ATOM 0 H ALA A 45 -1.964 -4.094 3.717 1.00 0.57 H new ATOM 0 HA ALA A 45 -3.784 -2.074 2.758 1.00 0.62 H new ATOM 0 HB1 ALA A 45 -3.106 -2.827 0.540 1.00 0.70 H new ATOM 0 HB2 ALA A 45 -1.692 -2.663 1.608 1.00 0.70 H new ATOM 0 HB3 ALA A 45 -2.350 -4.276 1.245 1.00 0.70 H new ATOM 717 N ASP A 46 -4.529 -5.252 2.691 1.00 0.60 N ATOM 718 CA ASP A 46 -5.640 -6.203 2.478 1.00 0.65 C ATOM 719 C ASP A 46 -6.744 -5.936 3.467 1.00 0.65 C ATOM 720 O ASP A 46 -7.864 -6.317 3.225 1.00 0.65 O ATOM 721 CB ASP A 46 -5.184 -7.610 2.679 1.00 0.76 C ATOM 722 CG ASP A 46 -6.173 -8.523 1.955 1.00 0.88 C ATOM 723 OD1 ASP A 46 -6.089 -8.534 0.739 1.00 1.45 O ATOM 724 OD2 ASP A 46 -6.948 -9.163 2.637 1.00 1.04 O ATOM 0 H ASP A 46 -3.666 -5.646 3.066 1.00 0.60 H new ATOM 0 HA ASP A 46 -5.994 -6.070 1.456 1.00 0.65 H new ATOM 0 HB2 ASP A 46 -4.177 -7.746 2.284 1.00 0.76 H new ATOM 0 HB3 ASP A 46 -5.146 -7.852 3.741 1.00 0.76 H new ATOM 729 N GLU A 47 -6.449 -5.305 4.567 1.00 0.71 N ATOM 730 CA GLU A 47 -7.567 -5.035 5.504 1.00 0.81 C ATOM 731 C GLU A 47 -8.492 -4.119 4.754 1.00 0.75 C ATOM 732 O GLU A 47 -9.697 -4.260 4.776 1.00 0.81 O ATOM 733 CB GLU A 47 -7.086 -4.308 6.767 1.00 0.97 C ATOM 734 CG GLU A 47 -6.370 -5.270 7.716 1.00 1.17 C ATOM 735 CD GLU A 47 -7.419 -6.056 8.513 1.00 1.52 C ATOM 736 OE1 GLU A 47 -8.564 -6.067 8.096 1.00 2.02 O ATOM 737 OE2 GLU A 47 -7.017 -6.620 9.515 1.00 1.97 O ATOM 0 H GLU A 47 -5.525 -4.978 4.849 1.00 0.71 H new ATOM 0 HA GLU A 47 -8.034 -5.967 5.822 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -6.412 -3.497 6.490 1.00 0.97 H new ATOM 0 HB3 GLU A 47 -7.937 -3.855 7.276 1.00 0.97 H new ATOM 0 HG2 GLU A 47 -5.736 -5.954 7.152 1.00 1.17 H new ATOM 0 HG3 GLU A 47 -5.719 -4.717 8.393 1.00 1.17 H new ATOM 744 N LEU A 48 -7.868 -3.191 4.094 1.00 0.72 N ATOM 745 CA LEU A 48 -8.669 -2.222 3.321 1.00 0.77 C ATOM 746 C LEU A 48 -9.450 -3.045 2.312 1.00 0.68 C ATOM 747 O LEU A 48 -10.610 -2.797 2.069 1.00 0.93 O ATOM 748 CB LEU A 48 -7.738 -1.246 2.595 1.00 0.85 C ATOM 749 CG LEU A 48 -8.504 0.005 2.137 1.00 0.87 C ATOM 750 CD1 LEU A 48 -8.872 0.862 3.364 1.00 1.52 C ATOM 751 CD2 LEU A 48 -7.608 0.820 1.190 1.00 1.40 C ATOM 0 H LEU A 48 -6.856 -3.065 4.058 1.00 0.72 H new ATOM 0 HA LEU A 48 -9.331 -1.638 3.961 1.00 0.77 H new ATOM 0 HB2 LEU A 48 -6.922 -0.956 3.256 1.00 0.85 H new ATOM 0 HB3 LEU A 48 -7.289 -1.739 1.732 1.00 0.85 H new ATOM 0 HG LEU A 48 -9.417 -0.290 1.619 1.00 0.87 H new ATOM 0 HD11 LEU A 48 -9.415 1.749 3.038 1.00 1.52 H new ATOM 0 HD12 LEU A 48 -9.499 0.280 4.039 1.00 1.52 H new ATOM 0 HD13 LEU A 48 -7.962 1.164 3.883 1.00 1.52 H new ATOM 0 HD21 LEU A 48 -8.143 1.710 0.859 1.00 1.40 H new ATOM 0 HD22 LEU A 48 -6.699 1.116 1.714 1.00 1.40 H new ATOM 0 HD23 LEU A 48 -7.346 0.212 0.324 1.00 1.40 H new ATOM 763 N TYR A 49 -8.794 -4.015 1.750 1.00 0.59 N ATOM 764 CA TYR A 49 -9.471 -4.863 0.731 1.00 0.54 C ATOM 765 C TYR A 49 -10.675 -5.582 1.331 1.00 0.59 C ATOM 766 O TYR A 49 -11.709 -5.695 0.704 1.00 0.82 O ATOM 767 CB TYR A 49 -8.467 -5.890 0.197 1.00 0.61 C ATOM 768 CG TYR A 49 -9.049 -6.683 -0.972 1.00 0.64 C ATOM 769 CD1 TYR A 49 -9.550 -6.040 -2.081 1.00 1.29 C ATOM 770 CD2 TYR A 49 -9.066 -8.061 -0.932 1.00 1.33 C ATOM 771 CE1 TYR A 49 -10.058 -6.761 -3.136 1.00 1.32 C ATOM 772 CE2 TYR A 49 -9.576 -8.786 -1.988 1.00 1.40 C ATOM 773 CZ TYR A 49 -10.076 -8.138 -3.102 1.00 0.85 C ATOM 774 OH TYR A 49 -10.583 -8.844 -4.173 1.00 0.99 O ATOM 0 H TYR A 49 -7.824 -4.259 1.949 1.00 0.59 H new ATOM 0 HA TYR A 49 -9.827 -4.227 -0.080 1.00 0.54 H new ATOM 0 HB2 TYR A 49 -7.559 -5.380 -0.124 1.00 0.61 H new ATOM 0 HB3 TYR A 49 -8.183 -6.574 0.997 1.00 0.61 H new ATOM 0 HD1 TYR A 49 -9.544 -4.961 -2.123 1.00 1.29 H new ATOM 0 HD2 TYR A 49 -8.677 -8.577 -0.067 1.00 1.33 H new ATOM 0 HE1 TYR A 49 -10.447 -6.242 -4.000 1.00 1.32 H new ATOM 0 HE2 TYR A 49 -9.585 -9.865 -1.945 1.00 1.40 H new ATOM 0 HH TYR A 49 -10.521 -9.805 -3.990 1.00 0.99 H new ATOM 784 N ARG A 50 -10.518 -6.048 2.535 1.00 0.71 N ATOM 785 CA ARG A 50 -11.628 -6.785 3.189 1.00 0.95 C ATOM 786 C ARG A 50 -12.779 -5.841 3.485 1.00 1.15 C ATOM 787 O ARG A 50 -13.879 -6.005 2.995 1.00 1.19 O ATOM 788 CB ARG A 50 -11.107 -7.415 4.495 1.00 1.20 C ATOM 789 CG ARG A 50 -10.093 -8.516 4.133 1.00 1.44 C ATOM 790 CD ARG A 50 -9.529 -9.182 5.411 1.00 1.54 C ATOM 791 NE ARG A 50 -8.755 -8.196 6.219 1.00 1.70 N ATOM 792 CZ ARG A 50 -7.467 -8.411 6.380 1.00 1.79 C ATOM 793 NH1 ARG A 50 -6.715 -8.444 5.309 1.00 2.21 N ATOM 794 NH2 ARG A 50 -6.981 -8.584 7.586 1.00 2.29 N ATOM 0 H ARG A 50 -9.670 -5.950 3.093 1.00 0.71 H new ATOM 0 HA ARG A 50 -11.990 -7.569 2.524 1.00 0.95 H new ATOM 0 HB2 ARG A 50 -10.636 -6.657 5.120 1.00 1.20 H new ATOM 0 HB3 ARG A 50 -11.933 -7.834 5.070 1.00 1.20 H new ATOM 0 HG2 ARG A 50 -10.573 -9.268 3.507 1.00 1.44 H new ATOM 0 HG3 ARG A 50 -9.278 -8.089 3.549 1.00 1.44 H new ATOM 0 HD2 ARG A 50 -10.346 -9.587 6.007 1.00 1.54 H new ATOM 0 HD3 ARG A 50 -8.888 -10.020 5.138 1.00 1.54 H new ATOM 0 HE ARG A 50 -9.209 -7.382 6.633 1.00 1.70 H new ATOM 0 HH11 ARG A 50 -7.132 -8.305 4.389 1.00 2.21 H new ATOM 0 HH12 ARG A 50 -5.712 -8.608 5.395 1.00 2.21 H new ATOM 0 HH21 ARG A 50 -7.601 -8.552 8.395 1.00 2.29 H new ATOM 0 HH22 ARG A 50 -5.983 -8.751 7.715 1.00 2.29 H new ATOM 808 N SER A 51 -12.487 -4.870 4.292 1.00 1.40 N ATOM 809 CA SER A 51 -13.525 -3.889 4.661 1.00 1.77 C ATOM 810 C SER A 51 -14.137 -3.288 3.401 1.00 1.70 C ATOM 811 O SER A 51 -15.307 -2.963 3.363 1.00 1.91 O ATOM 812 CB SER A 51 -12.847 -2.853 5.496 1.00 2.04 C ATOM 813 OG SER A 51 -12.114 -3.658 6.410 1.00 2.11 O ATOM 0 H SER A 51 -11.571 -4.715 4.712 1.00 1.40 H new ATOM 0 HA SER A 51 -14.342 -4.346 5.220 1.00 1.77 H new ATOM 0 HB2 SER A 51 -12.196 -2.210 4.903 1.00 2.04 H new ATOM 0 HB3 SER A 51 -13.561 -2.204 6.003 1.00 2.04 H new ATOM 0 HG SER A 51 -11.613 -3.082 7.025 1.00 2.11 H new ATOM 819 N CYS A 52 -13.332 -3.149 2.391 1.00 1.50 N ATOM 820 CA CYS A 52 -13.895 -2.571 1.153 1.00 1.60 C ATOM 821 C CYS A 52 -14.902 -3.546 0.603 1.00 1.30 C ATOM 822 O CYS A 52 -16.002 -3.146 0.301 1.00 1.42 O ATOM 823 CB CYS A 52 -12.809 -2.344 0.105 1.00 1.71 C ATOM 824 SG CYS A 52 -11.722 -0.910 0.310 1.00 2.41 S ATOM 0 H CYS A 52 -12.344 -3.401 2.368 1.00 1.50 H new ATOM 0 HA CYS A 52 -14.353 -1.609 1.384 1.00 1.60 H new ATOM 0 HB2 CYS A 52 -12.184 -3.236 0.073 1.00 1.71 H new ATOM 0 HB3 CYS A 52 -13.295 -2.260 -0.867 1.00 1.71 H new ATOM 0 HG CYS A 52 -11.006 -1.059 1.385 1.00 2.41 H new ATOM 830 N LEU A 53 -14.528 -4.787 0.488 1.00 1.00 N ATOM 831 CA LEU A 53 -15.489 -5.780 -0.068 1.00 0.95 C ATOM 832 C LEU A 53 -16.831 -5.663 0.627 1.00 1.09 C ATOM 833 O LEU A 53 -17.857 -5.744 -0.018 1.00 1.19 O ATOM 834 CB LEU A 53 -14.935 -7.204 0.129 1.00 0.98 C ATOM 835 CG LEU A 53 -15.970 -8.272 -0.312 1.00 1.21 C ATOM 836 CD1 LEU A 53 -16.309 -8.140 -1.809 1.00 1.56 C ATOM 837 CD2 LEU A 53 -15.376 -9.666 -0.055 1.00 1.58 C ATOM 0 H LEU A 53 -13.613 -5.155 0.750 1.00 1.00 H new ATOM 0 HA LEU A 53 -15.621 -5.580 -1.131 1.00 0.95 H new ATOM 0 HB2 LEU A 53 -14.017 -7.323 -0.447 1.00 0.98 H new ATOM 0 HB3 LEU A 53 -14.676 -7.355 1.177 1.00 0.98 H new ATOM 0 HG LEU A 53 -16.886 -8.126 0.260 1.00 1.21 H new ATOM 0 HD11 LEU A 53 -17.037 -8.903 -2.086 1.00 1.56 H new ATOM 0 HD12 LEU A 53 -16.728 -7.152 -2.002 1.00 1.56 H new ATOM 0 HD13 LEU A 53 -15.403 -8.272 -2.400 1.00 1.56 H new ATOM 0 HD21 LEU A 53 -16.092 -10.429 -0.360 1.00 1.58 H new ATOM 0 HD22 LEU A 53 -14.457 -9.781 -0.629 1.00 1.58 H new ATOM 0 HD23 LEU A 53 -15.157 -9.778 1.007 1.00 1.58 H new ATOM 849 N ALA A 54 -16.782 -5.476 1.916 1.00 1.32 N ATOM 850 CA ALA A 54 -18.059 -5.361 2.674 1.00 1.66 C ATOM 851 C ALA A 54 -18.994 -4.369 2.003 1.00 1.77 C ATOM 852 O ALA A 54 -20.077 -4.723 1.587 1.00 2.00 O ATOM 853 CB ALA A 54 -17.800 -4.880 4.102 1.00 1.85 C ATOM 0 H ALA A 54 -15.929 -5.399 2.470 1.00 1.32 H new ATOM 0 HA ALA A 54 -18.516 -6.350 2.692 1.00 1.66 H new ATOM 0 HB1 ALA A 54 -18.746 -4.803 4.637 1.00 1.85 H new ATOM 0 HB2 ALA A 54 -17.151 -5.591 4.613 1.00 1.85 H new ATOM 0 HB3 ALA A 54 -17.318 -3.903 4.075 1.00 1.85 H new ATOM 1063 N GLU B 5 17.384 -1.459 -6.268 1.00 1.21 N ATOM 1064 CA GLU B 5 17.174 -0.901 -4.912 1.00 0.96 C ATOM 1065 C GLU B 5 16.422 0.427 -4.979 1.00 0.95 C ATOM 1066 O GLU B 5 15.484 0.654 -4.240 1.00 0.82 O ATOM 1067 CB GLU B 5 18.561 -0.763 -4.291 1.00 1.13 C ATOM 1068 CG GLU B 5 19.369 0.228 -5.069 1.00 1.56 C ATOM 1069 CD GLU B 5 20.800 0.003 -4.666 1.00 1.97 C ATOM 1070 OE1 GLU B 5 21.246 -1.086 -4.959 1.00 2.36 O ATOM 1071 OE2 GLU B 5 21.378 0.906 -4.096 1.00 2.53 O ATOM 0 HA GLU B 5 16.552 -1.551 -4.297 1.00 0.96 H new ATOM 0 HB2 GLU B 5 18.474 -0.441 -3.253 1.00 1.13 H new ATOM 0 HB3 GLU B 5 19.064 -1.730 -4.283 1.00 1.13 H new ATOM 0 HG2 GLU B 5 19.238 0.082 -6.141 1.00 1.56 H new ATOM 0 HG3 GLU B 5 19.056 1.248 -4.845 1.00 1.56 H new ATOM 1078 N LYS B 6 16.836 1.285 -5.867 1.00 1.22 N ATOM 1079 CA LYS B 6 16.126 2.581 -5.944 1.00 1.36 C ATOM 1080 C LYS B 6 14.788 2.329 -6.613 1.00 1.20 C ATOM 1081 O LYS B 6 13.871 3.107 -6.460 1.00 1.18 O ATOM 1082 CB LYS B 6 16.880 3.615 -6.800 1.00 1.75 C ATOM 1083 CG LYS B 6 18.318 3.861 -6.285 1.00 2.49 C ATOM 1084 CD LYS B 6 19.316 3.015 -7.090 1.00 2.98 C ATOM 1085 CE LYS B 6 20.753 3.408 -6.679 1.00 3.67 C ATOM 1086 NZ LYS B 6 20.940 3.340 -5.208 1.00 3.78 N ATOM 0 H LYS B 6 17.608 1.150 -6.520 1.00 1.22 H new ATOM 0 HA LYS B 6 16.032 2.977 -4.933 1.00 1.36 H new ATOM 0 HB2 LYS B 6 16.920 3.270 -7.833 1.00 1.75 H new ATOM 0 HB3 LYS B 6 16.329 4.556 -6.799 1.00 1.75 H new ATOM 0 HG2 LYS B 6 18.569 4.918 -6.374 1.00 2.49 H new ATOM 0 HG3 LYS B 6 18.383 3.606 -5.227 1.00 2.49 H new ATOM 0 HD2 LYS B 6 19.147 1.954 -6.903 1.00 2.98 H new ATOM 0 HD3 LYS B 6 19.172 3.177 -8.158 1.00 2.98 H new ATOM 0 HE2 LYS B 6 21.466 2.744 -7.168 1.00 3.67 H new ATOM 0 HE3 LYS B 6 20.968 4.418 -7.027 1.00 3.67 H new ATOM 0 HZ1 LYS B 6 21.888 3.691 -4.962 1.00 3.78 H new ATOM 0 HZ2 LYS B 6 20.221 3.927 -4.739 1.00 3.78 H new ATOM 0 HZ3 LYS B 6 20.843 2.354 -4.891 1.00 3.78 H new ATOM 1100 N THR B 7 14.691 1.258 -7.341 1.00 1.23 N ATOM 1101 CA THR B 7 13.400 1.004 -8.010 1.00 1.25 C ATOM 1102 C THR B 7 12.377 0.727 -6.910 1.00 0.98 C ATOM 1103 O THR B 7 11.419 1.457 -6.759 1.00 0.93 O ATOM 1104 CB THR B 7 13.570 -0.205 -8.937 1.00 1.53 C ATOM 1105 OG1 THR B 7 14.784 0.051 -9.638 1.00 1.77 O ATOM 1106 CG2 THR B 7 12.500 -0.207 -10.037 1.00 1.82 C ATOM 0 H THR B 7 15.426 0.569 -7.497 1.00 1.23 H new ATOM 0 HA THR B 7 13.066 1.849 -8.612 1.00 1.25 H new ATOM 0 HB THR B 7 13.528 -1.129 -8.360 1.00 1.53 H new ATOM 0 HG1 THR B 7 14.966 -0.686 -10.257 1.00 1.77 H new ATOM 0 HG21 THR B 7 12.642 -1.075 -10.681 1.00 1.82 H new ATOM 0 HG22 THR B 7 11.511 -0.251 -9.582 1.00 1.82 H new ATOM 0 HG23 THR B 7 12.586 0.703 -10.630 1.00 1.82 H new ATOM 1114 N ALA B 8 12.618 -0.319 -6.170 1.00 0.87 N ATOM 1115 CA ALA B 8 11.690 -0.702 -5.074 1.00 0.79 C ATOM 1116 C ALA B 8 11.417 0.495 -4.193 1.00 0.62 C ATOM 1117 O ALA B 8 10.312 0.708 -3.740 1.00 0.70 O ATOM 1118 CB ALA B 8 12.315 -1.799 -4.227 1.00 0.81 C ATOM 0 H ALA B 8 13.427 -0.930 -6.280 1.00 0.87 H new ATOM 0 HA ALA B 8 10.759 -1.060 -5.513 1.00 0.79 H new ATOM 0 HB1 ALA B 8 11.630 -2.075 -3.426 1.00 0.81 H new ATOM 0 HB2 ALA B 8 12.514 -2.671 -4.850 1.00 0.81 H new ATOM 0 HB3 ALA B 8 13.250 -1.439 -3.797 1.00 0.81 H new ATOM 1124 N LEU B 9 12.446 1.254 -3.970 1.00 0.59 N ATOM 1125 CA LEU B 9 12.275 2.448 -3.112 1.00 0.73 C ATOM 1126 C LEU B 9 11.194 3.341 -3.720 1.00 0.60 C ATOM 1127 O LEU B 9 10.193 3.660 -3.104 1.00 0.61 O ATOM 1128 CB LEU B 9 13.611 3.189 -3.048 1.00 1.09 C ATOM 1129 CG LEU B 9 13.540 4.348 -2.049 1.00 1.65 C ATOM 1130 CD1 LEU B 9 13.424 3.821 -0.605 1.00 1.96 C ATOM 1131 CD2 LEU B 9 14.799 5.206 -2.191 1.00 2.37 C ATOM 0 H LEU B 9 13.385 1.102 -4.339 1.00 0.59 H new ATOM 0 HA LEU B 9 11.971 2.165 -2.104 1.00 0.73 H new ATOM 0 HB2 LEU B 9 14.402 2.498 -2.756 1.00 1.09 H new ATOM 0 HB3 LEU B 9 13.869 3.569 -4.036 1.00 1.09 H new ATOM 0 HG LEU B 9 12.655 4.947 -2.263 1.00 1.65 H new ATOM 0 HD11 LEU B 9 13.375 4.662 0.086 1.00 1.96 H new ATOM 0 HD12 LEU B 9 12.520 3.219 -0.509 1.00 1.96 H new ATOM 0 HD13 LEU B 9 14.294 3.208 -0.370 1.00 1.96 H new ATOM 0 HD21 LEU B 9 14.757 6.034 -1.483 1.00 2.37 H new ATOM 0 HD22 LEU B 9 15.679 4.597 -1.985 1.00 2.37 H new ATOM 0 HD23 LEU B 9 14.859 5.599 -3.206 1.00 2.37 H new ATOM 1143 N ASN B 10 11.423 3.723 -4.940 1.00 0.60 N ATOM 1144 CA ASN B 10 10.438 4.614 -5.602 1.00 0.63 C ATOM 1145 C ASN B 10 9.096 3.934 -5.714 1.00 0.57 C ATOM 1146 O ASN B 10 8.079 4.596 -5.776 1.00 0.57 O ATOM 1147 CB ASN B 10 10.916 4.989 -7.000 1.00 0.76 C ATOM 1148 CG ASN B 10 12.011 6.053 -6.867 1.00 1.34 C ATOM 1149 OD1 ASN B 10 11.856 7.174 -7.312 1.00 1.67 O ATOM 1150 ND2 ASN B 10 13.130 5.761 -6.263 1.00 2.15 N ATOM 0 H ASN B 10 12.235 3.463 -5.500 1.00 0.60 H new ATOM 0 HA ASN B 10 10.340 5.513 -4.993 1.00 0.63 H new ATOM 0 HB2 ASN B 10 11.302 4.111 -7.517 1.00 0.76 H new ATOM 0 HB3 ASN B 10 10.086 5.371 -7.595 1.00 0.76 H new ATOM 0 HD21 ASN B 10 13.859 6.468 -6.170 1.00 2.15 H new ATOM 0 HD22 ASN B 10 13.276 4.825 -5.884 1.00 2.15 H new ATOM 1157 N MET B 11 9.108 2.634 -5.740 1.00 0.60 N ATOM 1158 CA MET B 11 7.808 1.935 -5.849 1.00 0.65 C ATOM 1159 C MET B 11 7.062 2.083 -4.547 1.00 0.62 C ATOM 1160 O MET B 11 5.863 2.246 -4.558 1.00 0.68 O ATOM 1161 CB MET B 11 8.010 0.449 -6.123 1.00 0.77 C ATOM 1162 CG MET B 11 8.441 0.261 -7.576 1.00 1.18 C ATOM 1163 SD MET B 11 7.295 0.876 -8.835 1.00 1.98 S ATOM 1164 CE MET B 11 5.891 -0.195 -8.436 1.00 2.42 C ATOM 0 H MET B 11 9.937 2.041 -5.692 1.00 0.60 H new ATOM 0 HA MET B 11 7.246 2.375 -6.673 1.00 0.65 H new ATOM 0 HB2 MET B 11 8.766 0.043 -5.451 1.00 0.77 H new ATOM 0 HB3 MET B 11 7.086 -0.097 -5.931 1.00 0.77 H new ATOM 0 HG2 MET B 11 9.402 0.757 -7.715 1.00 1.18 H new ATOM 0 HG3 MET B 11 8.603 -0.803 -7.750 1.00 1.18 H new ATOM 0 HE1 MET B 11 5.171 -0.171 -9.254 1.00 2.42 H new ATOM 0 HE2 MET B 11 6.242 -1.217 -8.291 1.00 2.42 H new ATOM 0 HE3 MET B 11 5.413 0.157 -7.522 1.00 2.42 H new ATOM 1174 N ALA B 12 7.773 2.026 -3.459 1.00 0.58 N ATOM 1175 CA ALA B 12 7.071 2.165 -2.156 1.00 0.62 C ATOM 1176 C ALA B 12 6.379 3.508 -2.180 1.00 0.56 C ATOM 1177 O ALA B 12 5.222 3.639 -1.836 1.00 0.57 O ATOM 1178 CB ALA B 12 8.064 2.147 -0.996 1.00 0.67 C ATOM 0 H ALA B 12 8.783 1.893 -3.413 1.00 0.58 H new ATOM 0 HA ALA B 12 6.372 1.341 -2.016 1.00 0.62 H new ATOM 0 HB1 ALA B 12 7.525 2.250 -0.054 1.00 0.67 H new ATOM 0 HB2 ALA B 12 8.611 1.204 -1.000 1.00 0.67 H new ATOM 0 HB3 ALA B 12 8.766 2.974 -1.105 1.00 0.67 H new ATOM 1184 N ARG B 13 7.139 4.478 -2.599 1.00 0.53 N ATOM 1185 CA ARG B 13 6.576 5.851 -2.668 1.00 0.50 C ATOM 1186 C ARG B 13 5.356 5.854 -3.581 1.00 0.49 C ATOM 1187 O ARG B 13 4.354 6.478 -3.298 1.00 0.51 O ATOM 1188 CB ARG B 13 7.626 6.802 -3.237 1.00 0.51 C ATOM 1189 CG ARG B 13 7.079 8.238 -3.309 1.00 0.61 C ATOM 1190 CD ARG B 13 8.109 9.100 -4.050 1.00 1.07 C ATOM 1191 NE ARG B 13 8.371 8.455 -5.368 1.00 1.86 N ATOM 1192 CZ ARG B 13 9.583 8.498 -5.876 1.00 2.52 C ATOM 1193 NH1 ARG B 13 10.598 8.209 -5.089 1.00 3.15 N ATOM 1194 NH2 ARG B 13 9.731 8.826 -7.142 1.00 3.08 N ATOM 0 H ARG B 13 8.111 4.382 -2.893 1.00 0.53 H new ATOM 0 HA ARG B 13 6.288 6.175 -1.668 1.00 0.50 H new ATOM 0 HB2 ARG B 13 8.520 6.779 -2.614 1.00 0.51 H new ATOM 0 HB3 ARG B 13 7.923 6.470 -4.232 1.00 0.51 H new ATOM 0 HG2 ARG B 13 6.122 8.256 -3.830 1.00 0.61 H new ATOM 0 HG3 ARG B 13 6.904 8.630 -2.307 1.00 0.61 H new ATOM 0 HD2 ARG B 13 7.732 10.113 -4.188 1.00 1.07 H new ATOM 0 HD3 ARG B 13 9.030 9.178 -3.472 1.00 1.07 H new ATOM 0 HE ARG B 13 7.618 7.985 -5.871 1.00 1.86 H new ATOM 0 HH11 ARG B 13 10.432 7.960 -4.114 1.00 3.15 H new ATOM 0 HH12 ARG B 13 11.550 8.234 -5.455 1.00 3.15 H new ATOM 0 HH21 ARG B 13 8.913 9.042 -7.712 1.00 3.08 H new ATOM 0 HH22 ARG B 13 10.664 8.865 -7.553 1.00 3.08 H new ATOM 1208 N PHE B 14 5.470 5.150 -4.666 1.00 0.52 N ATOM 1209 CA PHE B 14 4.334 5.139 -5.617 1.00 0.54 C ATOM 1210 C PHE B 14 3.098 4.571 -4.948 1.00 0.57 C ATOM 1211 O PHE B 14 2.028 5.143 -5.016 1.00 0.59 O ATOM 1212 CB PHE B 14 4.676 4.282 -6.827 1.00 0.62 C ATOM 1213 CG PHE B 14 3.654 4.602 -7.914 1.00 1.17 C ATOM 1214 CD1 PHE B 14 3.809 5.730 -8.697 1.00 2.02 C ATOM 1215 CD2 PHE B 14 2.569 3.778 -8.127 1.00 1.81 C ATOM 1216 CE1 PHE B 14 2.891 6.029 -9.680 1.00 2.69 C ATOM 1217 CE2 PHE B 14 1.650 4.077 -9.111 1.00 2.50 C ATOM 1218 CZ PHE B 14 1.809 5.202 -9.888 1.00 2.71 C ATOM 0 H PHE B 14 6.282 4.593 -4.932 1.00 0.52 H new ATOM 0 HA PHE B 14 4.140 6.164 -5.934 1.00 0.54 H new ATOM 0 HB2 PHE B 14 5.687 4.495 -7.175 1.00 0.62 H new ATOM 0 HB3 PHE B 14 4.644 3.223 -6.569 1.00 0.62 H new ATOM 0 HD1 PHE B 14 4.655 6.382 -8.537 1.00 2.02 H new ATOM 0 HD2 PHE B 14 2.438 2.894 -7.520 1.00 1.81 H new ATOM 0 HE1 PHE B 14 3.020 6.912 -10.288 1.00 2.69 H new ATOM 0 HE2 PHE B 14 0.803 3.427 -9.272 1.00 2.50 H new ATOM 0 HZ PHE B 14 1.088 5.435 -10.658 1.00 2.71 H new ATOM 1228 N ILE B 15 3.284 3.452 -4.313 1.00 0.58 N ATOM 1229 CA ILE B 15 2.142 2.799 -3.641 1.00 0.63 C ATOM 1230 C ILE B 15 1.523 3.776 -2.657 1.00 0.59 C ATOM 1231 O ILE B 15 0.318 3.809 -2.510 1.00 0.62 O ATOM 1232 CB ILE B 15 2.656 1.538 -2.923 1.00 0.69 C ATOM 1233 CG1 ILE B 15 3.189 0.559 -3.992 1.00 0.79 C ATOM 1234 CG2 ILE B 15 1.486 0.870 -2.197 1.00 0.82 C ATOM 1235 CD1 ILE B 15 3.834 -0.660 -3.319 1.00 0.93 C ATOM 0 H ILE B 15 4.177 2.965 -4.232 1.00 0.58 H new ATOM 0 HA ILE B 15 1.378 2.508 -4.362 1.00 0.63 H new ATOM 0 HB ILE B 15 3.439 1.799 -2.212 1.00 0.69 H new ATOM 0 HG12 ILE B 15 2.374 0.237 -4.640 1.00 0.79 H new ATOM 0 HG13 ILE B 15 3.919 1.063 -4.625 1.00 0.79 H new ATOM 0 HG21 ILE B 15 1.839 -0.025 -1.685 1.00 0.82 H new ATOM 0 HG22 ILE B 15 1.066 1.564 -1.468 1.00 0.82 H new ATOM 0 HG23 ILE B 15 0.718 0.595 -2.920 1.00 0.82 H new ATOM 0 HD11 ILE B 15 4.206 -1.343 -4.083 1.00 0.93 H new ATOM 0 HD12 ILE B 15 4.662 -0.333 -2.690 1.00 0.93 H new ATOM 0 HD13 ILE B 15 3.093 -1.171 -2.705 1.00 0.93 H new ATOM 1247 N ARG B 16 2.340 4.552 -2.003 1.00 0.58 N ATOM 1248 CA ARG B 16 1.735 5.501 -1.040 1.00 0.58 C ATOM 1249 C ARG B 16 0.764 6.386 -1.803 1.00 0.55 C ATOM 1250 O ARG B 16 -0.378 6.536 -1.417 1.00 0.56 O ATOM 1251 CB ARG B 16 2.821 6.378 -0.382 1.00 0.60 C ATOM 1252 CG ARG B 16 2.087 7.371 0.512 1.00 0.82 C ATOM 1253 CD ARG B 16 3.005 8.016 1.543 1.00 1.04 C ATOM 1254 NE ARG B 16 2.215 8.990 2.356 1.00 1.57 N ATOM 1255 CZ ARG B 16 2.546 9.175 3.617 1.00 2.08 C ATOM 1256 NH1 ARG B 16 3.807 9.445 3.888 1.00 2.68 N ATOM 1257 NH2 ARG B 16 1.624 9.082 4.557 1.00 2.60 N ATOM 0 H ARG B 16 3.356 4.571 -2.088 1.00 0.58 H new ATOM 0 HA ARG B 16 1.222 4.948 -0.253 1.00 0.58 H new ATOM 0 HB2 ARG B 16 3.513 5.769 0.200 1.00 0.60 H new ATOM 0 HB3 ARG B 16 3.411 6.897 -1.137 1.00 0.60 H new ATOM 0 HG2 ARG B 16 1.637 8.148 -0.106 1.00 0.82 H new ATOM 0 HG3 ARG B 16 1.272 6.860 1.025 1.00 0.82 H new ATOM 0 HD2 ARG B 16 3.441 7.253 2.188 1.00 1.04 H new ATOM 0 HD3 ARG B 16 3.832 8.524 1.046 1.00 1.04 H new ATOM 0 HE ARG B 16 1.435 9.501 1.942 1.00 1.57 H new ATOM 0 HH11 ARG B 16 4.490 9.505 3.132 1.00 2.68 H new ATOM 0 HH12 ARG B 16 4.100 9.594 4.853 1.00 2.68 H new ATOM 0 HH21 ARG B 16 0.659 8.867 4.305 1.00 2.60 H new ATOM 0 HH22 ARG B 16 1.876 9.225 5.535 1.00 2.60 H new ATOM 1271 N SER B 17 1.252 6.944 -2.869 1.00 0.57 N ATOM 1272 CA SER B 17 0.399 7.838 -3.687 1.00 0.60 C ATOM 1273 C SER B 17 -0.927 7.153 -4.027 1.00 0.56 C ATOM 1274 O SER B 17 -1.983 7.747 -3.939 1.00 0.55 O ATOM 1275 CB SER B 17 1.181 8.170 -4.936 1.00 0.68 C ATOM 1276 OG SER B 17 2.481 8.395 -4.404 1.00 0.72 O ATOM 0 H SER B 17 2.205 6.819 -3.209 1.00 0.57 H new ATOM 0 HA SER B 17 0.150 8.749 -3.142 1.00 0.60 H new ATOM 0 HB2 SER B 17 1.169 7.353 -5.657 1.00 0.68 H new ATOM 0 HB3 SER B 17 0.788 9.050 -5.445 1.00 0.68 H new ATOM 0 HG SER B 17 3.097 8.623 -5.131 1.00 0.72 H new ATOM 1282 N GLN B 18 -0.844 5.911 -4.407 1.00 0.57 N ATOM 1283 CA GLN B 18 -2.098 5.198 -4.761 1.00 0.57 C ATOM 1284 C GLN B 18 -3.035 5.218 -3.572 1.00 0.51 C ATOM 1285 O GLN B 18 -4.193 5.564 -3.685 1.00 0.51 O ATOM 1286 CB GLN B 18 -1.802 3.758 -5.103 1.00 0.65 C ATOM 1287 CG GLN B 18 -0.830 3.702 -6.270 1.00 0.91 C ATOM 1288 CD GLN B 18 -0.532 2.231 -6.546 1.00 1.11 C ATOM 1289 OE1 GLN B 18 0.192 1.899 -7.461 1.00 1.80 O ATOM 1290 NE2 GLN B 18 -1.068 1.317 -5.783 1.00 1.05 N ATOM 0 H GLN B 18 0.017 5.369 -4.487 1.00 0.57 H new ATOM 0 HA GLN B 18 -2.552 5.694 -5.619 1.00 0.57 H new ATOM 0 HB2 GLN B 18 -1.378 3.248 -4.238 1.00 0.65 H new ATOM 0 HB3 GLN B 18 -2.725 3.237 -5.359 1.00 0.65 H new ATOM 0 HG2 GLN B 18 -1.260 4.178 -7.151 1.00 0.91 H new ATOM 0 HG3 GLN B 18 0.087 4.241 -6.032 1.00 0.91 H new ATOM 0 HE21 GLN B 18 -1.678 1.590 -5.012 1.00 1.05 H new ATOM 0 HE22 GLN B 18 -0.877 0.330 -5.958 1.00 1.05 H new ATOM 1299 N THR B 19 -2.485 4.835 -2.463 1.00 0.48 N ATOM 1300 CA THR B 19 -3.282 4.791 -1.227 1.00 0.44 C ATOM 1301 C THR B 19 -3.934 6.148 -0.972 1.00 0.43 C ATOM 1302 O THR B 19 -5.008 6.213 -0.411 1.00 0.46 O ATOM 1303 CB THR B 19 -2.322 4.396 -0.125 1.00 0.46 C ATOM 1304 OG1 THR B 19 -1.670 3.254 -0.671 1.00 0.56 O ATOM 1305 CG2 THR B 19 -3.074 3.884 1.100 1.00 0.48 C ATOM 0 H THR B 19 -1.511 4.549 -2.363 1.00 0.48 H new ATOM 0 HA THR B 19 -4.100 4.073 -1.287 1.00 0.44 H new ATOM 0 HB THR B 19 -1.685 5.230 0.169 1.00 0.46 H new ATOM 0 HG1 THR B 19 -1.014 2.913 -0.028 1.00 0.56 H new ATOM 0 HG21 THR B 19 -2.360 3.607 1.876 1.00 0.48 H new ATOM 0 HG22 THR B 19 -3.733 4.667 1.476 1.00 0.48 H new ATOM 0 HG23 THR B 19 -3.667 3.012 0.825 1.00 0.48 H new ATOM 1313 N LEU B 20 -3.288 7.200 -1.387 1.00 0.45 N ATOM 1314 CA LEU B 20 -3.901 8.528 -1.140 1.00 0.51 C ATOM 1315 C LEU B 20 -5.185 8.544 -1.945 1.00 0.53 C ATOM 1316 O LEU B 20 -6.258 8.782 -1.432 1.00 0.57 O ATOM 1317 CB LEU B 20 -2.992 9.645 -1.644 1.00 0.57 C ATOM 1318 CG LEU B 20 -3.128 10.888 -0.734 1.00 0.69 C ATOM 1319 CD1 LEU B 20 -2.128 11.955 -1.200 1.00 1.31 C ATOM 1320 CD2 LEU B 20 -4.553 11.474 -0.814 1.00 1.25 C ATOM 0 H LEU B 20 -2.390 7.200 -1.871 1.00 0.45 H new ATOM 0 HA LEU B 20 -4.069 8.686 -0.075 1.00 0.51 H new ATOM 0 HB2 LEU B 20 -1.957 9.305 -1.657 1.00 0.57 H new ATOM 0 HB3 LEU B 20 -3.255 9.904 -2.670 1.00 0.57 H new ATOM 0 HG LEU B 20 -2.927 10.592 0.296 1.00 0.69 H new ATOM 0 HD11 LEU B 20 -2.215 12.837 -0.565 1.00 1.31 H new ATOM 0 HD12 LEU B 20 -1.115 11.558 -1.133 1.00 1.31 H new ATOM 0 HD13 LEU B 20 -2.343 12.229 -2.233 1.00 1.31 H new ATOM 0 HD21 LEU B 20 -4.624 12.347 -0.166 1.00 1.25 H new ATOM 0 HD22 LEU B 20 -4.769 11.766 -1.842 1.00 1.25 H new ATOM 0 HD23 LEU B 20 -5.274 10.723 -0.491 1.00 1.25 H new ATOM 1332 N THR B 21 -5.012 8.278 -3.202 1.00 0.59 N ATOM 1333 CA THR B 21 -6.161 8.273 -4.129 1.00 0.70 C ATOM 1334 C THR B 21 -7.302 7.417 -3.564 1.00 0.63 C ATOM 1335 O THR B 21 -8.464 7.741 -3.711 1.00 0.69 O ATOM 1336 CB THR B 21 -5.638 7.731 -5.446 1.00 0.85 C ATOM 1337 OG1 THR B 21 -4.321 8.271 -5.496 1.00 0.87 O ATOM 1338 CG2 THR B 21 -6.352 8.397 -6.633 1.00 1.02 C ATOM 0 H THR B 21 -4.112 8.061 -3.630 1.00 0.59 H new ATOM 0 HA THR B 21 -6.576 9.271 -4.269 1.00 0.70 H new ATOM 0 HB THR B 21 -5.745 6.648 -5.502 1.00 0.85 H new ATOM 0 HG1 THR B 21 -3.879 7.979 -6.320 1.00 0.87 H new ATOM 0 HG21 THR B 21 -5.961 7.993 -7.566 1.00 1.02 H new ATOM 0 HG22 THR B 21 -7.422 8.198 -6.572 1.00 1.02 H new ATOM 0 HG23 THR B 21 -6.181 9.473 -6.604 1.00 1.02 H new ATOM 1346 N LEU B 22 -6.963 6.334 -2.923 1.00 0.54 N ATOM 1347 CA LEU B 22 -8.066 5.500 -2.389 1.00 0.52 C ATOM 1348 C LEU B 22 -8.663 6.158 -1.169 1.00 0.45 C ATOM 1349 O LEU B 22 -9.864 6.156 -1.024 1.00 0.49 O ATOM 1350 CB LEU B 22 -7.573 4.121 -1.972 1.00 0.59 C ATOM 1351 CG LEU B 22 -6.939 3.374 -3.163 1.00 0.89 C ATOM 1352 CD1 LEU B 22 -6.611 1.947 -2.703 1.00 1.71 C ATOM 1353 CD2 LEU B 22 -7.911 3.304 -4.361 1.00 1.25 C ATOM 0 H LEU B 22 -6.013 6.003 -2.752 1.00 0.54 H new ATOM 0 HA LEU B 22 -8.806 5.398 -3.183 1.00 0.52 H new ATOM 0 HB2 LEU B 22 -6.842 4.220 -1.170 1.00 0.59 H new ATOM 0 HB3 LEU B 22 -8.405 3.539 -1.575 1.00 0.59 H new ATOM 0 HG LEU B 22 -6.043 3.906 -3.484 1.00 0.89 H new ATOM 0 HD11 LEU B 22 -6.160 1.394 -3.527 1.00 1.71 H new ATOM 0 HD12 LEU B 22 -5.913 1.986 -1.867 1.00 1.71 H new ATOM 0 HD13 LEU B 22 -7.527 1.447 -2.388 1.00 1.71 H new ATOM 0 HD21 LEU B 22 -7.435 2.772 -5.185 1.00 1.25 H new ATOM 0 HD22 LEU B 22 -8.818 2.777 -4.064 1.00 1.25 H new ATOM 0 HD23 LEU B 22 -8.167 4.314 -4.681 1.00 1.25 H new ATOM 1365 N LEU B 23 -7.818 6.695 -0.338 1.00 0.43 N ATOM 1366 CA LEU B 23 -8.302 7.350 0.907 1.00 0.44 C ATOM 1367 C LEU B 23 -9.379 8.328 0.491 1.00 0.48 C ATOM 1368 O LEU B 23 -10.472 8.343 1.019 1.00 0.52 O ATOM 1369 CB LEU B 23 -7.105 8.056 1.568 1.00 0.53 C ATOM 1370 CG LEU B 23 -7.468 8.601 2.960 1.00 0.73 C ATOM 1371 CD1 LEU B 23 -6.172 8.798 3.744 1.00 1.08 C ATOM 1372 CD2 LEU B 23 -8.131 9.986 2.853 1.00 1.05 C ATOM 0 H LEU B 23 -6.806 6.709 -0.468 1.00 0.43 H new ATOM 0 HA LEU B 23 -8.716 6.646 1.629 1.00 0.44 H new ATOM 0 HB2 LEU B 23 -6.273 7.358 1.656 1.00 0.53 H new ATOM 0 HB3 LEU B 23 -6.768 8.875 0.932 1.00 0.53 H new ATOM 0 HG LEU B 23 -8.149 7.898 3.440 1.00 0.73 H new ATOM 0 HD11 LEU B 23 -6.402 9.185 4.737 1.00 1.08 H new ATOM 0 HD12 LEU B 23 -5.655 7.843 3.838 1.00 1.08 H new ATOM 0 HD13 LEU B 23 -5.533 9.507 3.218 1.00 1.08 H new ATOM 0 HD21 LEU B 23 -8.378 10.349 3.851 1.00 1.05 H new ATOM 0 HD22 LEU B 23 -7.443 10.682 2.373 1.00 1.05 H new ATOM 0 HD23 LEU B 23 -9.042 9.908 2.259 1.00 1.05 H new ATOM 1384 N GLU B 24 -9.005 9.117 -0.466 1.00 0.57 N ATOM 1385 CA GLU B 24 -9.927 10.135 -1.010 1.00 0.71 C ATOM 1386 C GLU B 24 -11.215 9.426 -1.414 1.00 0.67 C ATOM 1387 O GLU B 24 -12.282 9.724 -0.917 1.00 0.69 O ATOM 1388 CB GLU B 24 -9.225 10.768 -2.205 1.00 0.90 C ATOM 1389 CG GLU B 24 -10.106 11.775 -2.935 1.00 1.37 C ATOM 1390 CD GLU B 24 -9.467 12.012 -4.301 1.00 1.52 C ATOM 1391 OE1 GLU B 24 -8.311 11.648 -4.429 1.00 1.83 O ATOM 1392 OE2 GLU B 24 -10.171 12.531 -5.147 1.00 1.84 O ATOM 0 H GLU B 24 -8.083 9.098 -0.901 1.00 0.57 H new ATOM 0 HA GLU B 24 -10.180 10.914 -0.291 1.00 0.71 H new ATOM 0 HB2 GLU B 24 -8.315 11.264 -1.867 1.00 0.90 H new ATOM 0 HB3 GLU B 24 -8.921 9.985 -2.900 1.00 0.90 H new ATOM 0 HG2 GLU B 24 -11.121 11.393 -3.044 1.00 1.37 H new ATOM 0 HG3 GLU B 24 -10.175 12.707 -2.374 1.00 1.37 H new ATOM 1399 N LYS B 25 -11.081 8.490 -2.308 1.00 0.67 N ATOM 1400 CA LYS B 25 -12.295 7.775 -2.778 1.00 0.72 C ATOM 1401 C LYS B 25 -13.028 7.065 -1.649 1.00 0.68 C ATOM 1402 O LYS B 25 -14.185 6.733 -1.791 1.00 0.75 O ATOM 1403 CB LYS B 25 -11.935 6.719 -3.841 1.00 0.81 C ATOM 1404 CG LYS B 25 -12.055 7.257 -5.303 1.00 0.95 C ATOM 1405 CD LYS B 25 -10.792 7.956 -5.867 1.00 1.36 C ATOM 1406 CE LYS B 25 -10.546 9.360 -5.280 1.00 1.57 C ATOM 1407 NZ LYS B 25 -11.723 10.256 -5.414 1.00 1.86 N ATOM 0 H LYS B 25 -10.200 8.193 -2.727 1.00 0.67 H new ATOM 0 HA LYS B 25 -12.946 8.541 -3.199 1.00 0.72 H new ATOM 0 HB2 LYS B 25 -10.916 6.373 -3.670 1.00 0.81 H new ATOM 0 HB3 LYS B 25 -12.589 5.855 -3.723 1.00 0.81 H new ATOM 0 HG2 LYS B 25 -12.310 6.423 -5.958 1.00 0.95 H new ATOM 0 HG3 LYS B 25 -12.887 7.961 -5.345 1.00 0.95 H new ATOM 0 HD2 LYS B 25 -9.922 7.331 -5.667 1.00 1.36 H new ATOM 0 HD3 LYS B 25 -10.885 8.036 -6.950 1.00 1.36 H new ATOM 0 HE2 LYS B 25 -10.284 9.267 -4.226 1.00 1.57 H new ATOM 0 HE3 LYS B 25 -9.691 9.814 -5.782 1.00 1.57 H new ATOM 0 HZ1 LYS B 25 -11.405 11.209 -5.682 1.00 1.86 H new ATOM 0 HZ2 LYS B 25 -12.360 9.884 -6.147 1.00 1.86 H new ATOM 0 HZ3 LYS B 25 -12.229 10.303 -4.507 1.00 1.86 H new ATOM 1421 N LEU B 26 -12.373 6.833 -0.550 1.00 0.65 N ATOM 1422 CA LEU B 26 -13.095 6.142 0.543 1.00 0.67 C ATOM 1423 C LEU B 26 -13.955 7.189 1.197 1.00 0.65 C ATOM 1424 O LEU B 26 -15.046 6.909 1.647 1.00 0.73 O ATOM 1425 CB LEU B 26 -12.093 5.564 1.549 1.00 0.68 C ATOM 1426 CG LEU B 26 -11.438 4.322 0.917 1.00 0.80 C ATOM 1427 CD1 LEU B 26 -10.192 3.946 1.712 1.00 1.21 C ATOM 1428 CD2 LEU B 26 -12.410 3.142 1.029 1.00 1.22 C ATOM 0 H LEU B 26 -11.401 7.083 -0.365 1.00 0.65 H new ATOM 0 HA LEU B 26 -13.696 5.313 0.170 1.00 0.67 H new ATOM 0 HB2 LEU B 26 -11.336 6.307 1.800 1.00 0.68 H new ATOM 0 HB3 LEU B 26 -12.598 5.297 2.477 1.00 0.68 H new ATOM 0 HG LEU B 26 -11.187 4.539 -0.121 1.00 0.80 H new ATOM 0 HD11 LEU B 26 -9.727 3.067 1.266 1.00 1.21 H new ATOM 0 HD12 LEU B 26 -9.486 4.777 1.697 1.00 1.21 H new ATOM 0 HD13 LEU B 26 -10.471 3.725 2.742 1.00 1.21 H new ATOM 0 HD21 LEU B 26 -11.958 2.255 0.585 1.00 1.22 H new ATOM 0 HD22 LEU B 26 -12.630 2.950 2.079 1.00 1.22 H new ATOM 0 HD23 LEU B 26 -13.334 3.381 0.503 1.00 1.22 H new ATOM 1440 N ASN B 27 -13.447 8.384 1.235 1.00 0.60 N ATOM 1441 CA ASN B 27 -14.259 9.459 1.859 1.00 0.66 C ATOM 1442 C ASN B 27 -15.491 9.610 0.992 1.00 0.68 C ATOM 1443 O ASN B 27 -16.590 9.775 1.479 1.00 0.79 O ATOM 1444 CB ASN B 27 -13.515 10.789 1.862 1.00 0.76 C ATOM 1445 CG ASN B 27 -12.233 10.672 2.683 1.00 1.02 C ATOM 1446 OD1 ASN B 27 -11.164 10.999 2.207 1.00 1.70 O ATOM 1447 ND2 ASN B 27 -12.286 10.219 3.907 1.00 1.70 N ATOM 0 H ASN B 27 -12.534 8.659 0.874 1.00 0.60 H new ATOM 0 HA ASN B 27 -14.490 9.200 2.892 1.00 0.66 H new ATOM 0 HB2 ASN B 27 -13.276 11.083 0.840 1.00 0.76 H new ATOM 0 HB3 ASN B 27 -14.152 11.570 2.277 1.00 0.76 H new ATOM 0 HD21 ASN B 27 -11.432 10.141 4.459 1.00 1.70 H new ATOM 0 HD22 ASN B 27 -13.181 9.943 4.310 1.00 1.70 H new ATOM 1454 N GLU B 28 -15.261 9.547 -0.288 1.00 0.70 N ATOM 1455 CA GLU B 28 -16.393 9.691 -1.237 1.00 0.83 C ATOM 1456 C GLU B 28 -17.378 8.551 -1.044 1.00 0.86 C ATOM 1457 O GLU B 28 -18.576 8.755 -1.016 1.00 0.97 O ATOM 1458 CB GLU B 28 -15.850 9.668 -2.658 1.00 1.00 C ATOM 1459 CG GLU B 28 -14.853 10.815 -2.804 1.00 1.12 C ATOM 1460 CD GLU B 28 -14.295 10.795 -4.219 1.00 1.86 C ATOM 1461 OE1 GLU B 28 -14.423 9.763 -4.855 1.00 2.61 O ATOM 1462 OE2 GLU B 28 -13.760 11.815 -4.601 1.00 2.24 O ATOM 0 H GLU B 28 -14.345 9.403 -0.714 1.00 0.70 H new ATOM 0 HA GLU B 28 -16.908 10.634 -1.054 1.00 0.83 H new ATOM 0 HB2 GLU B 28 -15.365 8.714 -2.865 1.00 1.00 H new ATOM 0 HB3 GLU B 28 -16.662 9.776 -3.377 1.00 1.00 H new ATOM 0 HG2 GLU B 28 -15.341 11.769 -2.603 1.00 1.12 H new ATOM 0 HG3 GLU B 28 -14.047 10.710 -2.078 1.00 1.12 H new ATOM 1469 N LEU B 29 -16.851 7.370 -0.915 1.00 0.84 N ATOM 1470 CA LEU B 29 -17.735 6.190 -0.731 1.00 0.98 C ATOM 1471 C LEU B 29 -17.979 5.971 0.746 1.00 1.03 C ATOM 1472 O LEU B 29 -17.935 4.839 1.182 1.00 1.19 O ATOM 1473 CB LEU B 29 -17.073 4.952 -1.330 1.00 1.02 C ATOM 1474 CG LEU B 29 -16.823 5.171 -2.844 1.00 1.07 C ATOM 1475 CD1 LEU B 29 -16.050 3.965 -3.401 1.00 1.79 C ATOM 1476 CD2 LEU B 29 -18.164 5.292 -3.598 1.00 1.43 C ATOM 0 H LEU B 29 -15.851 7.170 -0.929 1.00 0.84 H new ATOM 0 HA LEU B 29 -18.685 6.367 -1.235 1.00 0.98 H new ATOM 0 HB2 LEU B 29 -16.130 4.751 -0.822 1.00 1.02 H new ATOM 0 HB3 LEU B 29 -17.709 4.080 -1.179 1.00 1.02 H new ATOM 0 HG LEU B 29 -16.252 6.089 -2.980 1.00 1.07 H new ATOM 0 HD11 LEU B 29 -15.869 4.109 -4.466 1.00 1.79 H new ATOM 0 HD12 LEU B 29 -15.097 3.872 -2.880 1.00 1.79 H new ATOM 0 HD13 LEU B 29 -16.635 3.058 -3.252 1.00 1.79 H new ATOM 0 HD21 LEU B 29 -17.972 5.445 -4.660 1.00 1.43 H new ATOM 0 HD22 LEU B 29 -18.742 4.378 -3.462 1.00 1.43 H new ATOM 0 HD23 LEU B 29 -18.727 6.139 -3.205 1.00 1.43 H new ATOM 1488 N ASP B 30 -18.206 7.074 1.415 1.00 0.98 N ATOM 1489 CA ASP B 30 -18.495 7.205 2.886 1.00 1.11 C ATOM 1490 C ASP B 30 -17.781 6.217 3.783 1.00 1.16 C ATOM 1491 O ASP B 30 -18.134 6.033 4.931 1.00 1.63 O ATOM 1492 CB ASP B 30 -20.011 7.062 3.160 1.00 1.35 C ATOM 1493 CG ASP B 30 -20.416 5.607 3.419 1.00 1.82 C ATOM 1494 OD1 ASP B 30 -20.218 4.777 2.554 1.00 2.23 O ATOM 1495 OD2 ASP B 30 -20.919 5.390 4.506 1.00 2.45 O ATOM 0 H ASP B 30 -18.201 7.981 0.949 1.00 0.98 H new ATOM 0 HA ASP B 30 -18.118 8.197 3.134 1.00 1.11 H new ATOM 0 HB2 ASP B 30 -20.282 7.672 4.022 1.00 1.35 H new ATOM 0 HB3 ASP B 30 -20.571 7.447 2.308 1.00 1.35 H new ATOM 1500 N ALA B 31 -16.772 5.607 3.253 1.00 0.84 N ATOM 1501 CA ALA B 31 -16.016 4.615 4.042 1.00 0.87 C ATOM 1502 C ALA B 31 -14.905 5.401 4.693 1.00 0.76 C ATOM 1503 O ALA B 31 -13.740 5.112 4.504 1.00 0.75 O ATOM 1504 CB ALA B 31 -15.430 3.553 3.124 1.00 0.89 C ATOM 0 H ALA B 31 -16.436 5.754 2.301 1.00 0.84 H new ATOM 0 HA ALA B 31 -16.645 4.104 4.771 1.00 0.87 H new ATOM 0 HB1 ALA B 31 -14.874 2.826 3.717 1.00 0.89 H new ATOM 0 HB2 ALA B 31 -16.236 3.047 2.592 1.00 0.89 H new ATOM 0 HB3 ALA B 31 -14.760 4.023 2.405 1.00 0.89 H new ATOM 1510 N ASP B 32 -15.298 6.384 5.445 1.00 0.85 N ATOM 1511 CA ASP B 32 -14.271 7.229 6.100 1.00 0.87 C ATOM 1512 C ASP B 32 -13.462 6.420 7.081 1.00 0.79 C ATOM 1513 O ASP B 32 -12.279 6.635 7.232 1.00 0.74 O ATOM 1514 CB ASP B 32 -14.901 8.365 6.866 1.00 1.11 C ATOM 1515 CG ASP B 32 -13.742 9.198 7.393 1.00 2.05 C ATOM 1516 OD1 ASP B 32 -13.061 9.742 6.539 1.00 2.57 O ATOM 1517 OD2 ASP B 32 -13.605 9.240 8.602 1.00 2.83 O ATOM 0 H ASP B 32 -16.268 6.636 5.633 1.00 0.85 H new ATOM 0 HA ASP B 32 -13.635 7.621 5.306 1.00 0.87 H new ATOM 0 HB2 ASP B 32 -15.550 8.959 6.222 1.00 1.11 H new ATOM 0 HB3 ASP B 32 -15.518 7.992 7.683 1.00 1.11 H new ATOM 1522 N GLU B 33 -14.095 5.496 7.741 1.00 0.86 N ATOM 1523 CA GLU B 33 -13.288 4.709 8.702 1.00 0.90 C ATOM 1524 C GLU B 33 -12.228 3.980 7.891 1.00 0.78 C ATOM 1525 O GLU B 33 -11.117 3.772 8.337 1.00 0.79 O ATOM 1526 CB GLU B 33 -14.195 3.698 9.475 1.00 1.07 C ATOM 1527 CG GLU B 33 -14.827 2.610 8.598 1.00 1.58 C ATOM 1528 CD GLU B 33 -15.739 3.235 7.565 1.00 1.74 C ATOM 1529 OE1 GLU B 33 -16.648 3.940 7.959 1.00 2.11 O ATOM 1530 OE2 GLU B 33 -15.467 2.971 6.416 1.00 2.15 O ATOM 0 H GLU B 33 -15.084 5.260 7.664 1.00 0.86 H new ATOM 0 HA GLU B 33 -12.824 5.354 9.448 1.00 0.90 H new ATOM 0 HB2 GLU B 33 -13.602 3.219 10.254 1.00 1.07 H new ATOM 0 HB3 GLU B 33 -14.990 4.251 9.975 1.00 1.07 H new ATOM 0 HG2 GLU B 33 -14.046 2.033 8.103 1.00 1.58 H new ATOM 0 HG3 GLU B 33 -15.392 1.915 9.219 1.00 1.58 H new ATOM 1537 N GLN B 34 -12.577 3.596 6.698 1.00 0.71 N ATOM 1538 CA GLN B 34 -11.546 2.900 5.895 1.00 0.67 C ATOM 1539 C GLN B 34 -10.581 3.948 5.389 1.00 0.57 C ATOM 1540 O GLN B 34 -9.453 3.633 5.077 1.00 0.53 O ATOM 1541 CB GLN B 34 -12.155 2.191 4.686 1.00 0.72 C ATOM 1542 CG GLN B 34 -13.081 1.066 5.124 1.00 0.88 C ATOM 1543 CD GLN B 34 -12.319 0.189 6.108 1.00 1.49 C ATOM 1544 OE1 GLN B 34 -11.205 -0.222 5.851 1.00 2.26 O ATOM 1545 NE2 GLN B 34 -12.881 -0.119 7.244 1.00 1.80 N ATOM 0 H GLN B 34 -13.489 3.726 6.261 1.00 0.71 H new ATOM 0 HA GLN B 34 -11.058 2.152 6.519 1.00 0.67 H new ATOM 0 HB2 GLN B 34 -12.709 2.908 4.080 1.00 0.72 H new ATOM 0 HB3 GLN B 34 -11.361 1.789 4.057 1.00 0.72 H new ATOM 0 HG2 GLN B 34 -13.979 1.471 5.590 1.00 0.88 H new ATOM 0 HG3 GLN B 34 -13.405 0.481 4.263 1.00 0.88 H new ATOM 0 HE21 GLN B 34 -13.816 0.226 7.460 1.00 1.80 H new ATOM 0 HE22 GLN B 34 -12.385 -0.705 7.916 1.00 1.80 H new ATOM 1554 N ALA B 35 -11.030 5.169 5.308 1.00 0.58 N ATOM 1555 CA ALA B 35 -10.100 6.220 4.817 1.00 0.56 C ATOM 1556 C ALA B 35 -9.012 6.329 5.868 1.00 0.56 C ATOM 1557 O ALA B 35 -7.858 6.519 5.549 1.00 0.54 O ATOM 1558 CB ALA B 35 -10.810 7.571 4.690 1.00 0.65 C ATOM 0 H ALA B 35 -11.971 5.478 5.552 1.00 0.58 H new ATOM 0 HA ALA B 35 -9.711 5.961 3.832 1.00 0.56 H new ATOM 0 HB1 ALA B 35 -10.105 8.320 4.329 1.00 0.65 H new ATOM 0 HB2 ALA B 35 -11.638 7.482 3.986 1.00 0.65 H new ATOM 0 HB3 ALA B 35 -11.193 7.874 5.664 1.00 0.65 H new ATOM 1564 N ASP B 36 -9.410 6.206 7.101 1.00 0.62 N ATOM 1565 CA ASP B 36 -8.399 6.286 8.195 1.00 0.67 C ATOM 1566 C ASP B 36 -7.402 5.173 8.005 1.00 0.60 C ATOM 1567 O ASP B 36 -6.209 5.374 7.901 1.00 0.62 O ATOM 1568 CB ASP B 36 -9.030 6.088 9.552 1.00 0.79 C ATOM 1569 CG ASP B 36 -7.890 5.754 10.509 1.00 1.21 C ATOM 1570 OD1 ASP B 36 -7.161 6.681 10.816 1.00 1.65 O ATOM 1571 OD2 ASP B 36 -7.817 4.590 10.871 1.00 1.67 O ATOM 0 H ASP B 36 -10.374 6.056 7.399 1.00 0.62 H new ATOM 0 HA ASP B 36 -7.936 7.272 8.153 1.00 0.67 H new ATOM 0 HB2 ASP B 36 -9.555 6.988 9.872 1.00 0.79 H new ATOM 0 HB3 ASP B 36 -9.764 5.283 9.526 1.00 0.79 H new ATOM 1576 N ILE B 37 -7.954 3.999 7.966 1.00 0.55 N ATOM 1577 CA ILE B 37 -7.108 2.798 7.782 1.00 0.52 C ATOM 1578 C ILE B 37 -6.265 2.998 6.522 1.00 0.47 C ATOM 1579 O ILE B 37 -5.158 2.509 6.409 1.00 0.50 O ATOM 1580 CB ILE B 37 -8.056 1.587 7.665 1.00 0.53 C ATOM 1581 CG1 ILE B 37 -8.821 1.482 9.007 1.00 0.68 C ATOM 1582 CG2 ILE B 37 -7.263 0.292 7.425 1.00 0.57 C ATOM 1583 CD1 ILE B 37 -9.867 0.363 8.940 1.00 1.12 C ATOM 0 H ILE B 37 -8.954 3.820 8.054 1.00 0.55 H new ATOM 0 HA ILE B 37 -6.426 2.629 8.615 1.00 0.52 H new ATOM 0 HB ILE B 37 -8.736 1.721 6.824 1.00 0.53 H new ATOM 0 HG12 ILE B 37 -8.120 1.285 9.818 1.00 0.68 H new ATOM 0 HG13 ILE B 37 -9.308 2.431 9.230 1.00 0.68 H new ATOM 0 HG21 ILE B 37 -7.953 -0.548 7.346 1.00 0.57 H new ATOM 0 HG22 ILE B 37 -6.692 0.381 6.501 1.00 0.57 H new ATOM 0 HG23 ILE B 37 -6.581 0.124 8.258 1.00 0.57 H new ATOM 0 HD11 ILE B 37 -10.396 0.302 9.891 1.00 1.12 H new ATOM 0 HD12 ILE B 37 -10.578 0.577 8.142 1.00 1.12 H new ATOM 0 HD13 ILE B 37 -9.371 -0.587 8.739 1.00 1.12 H new ATOM 1595 N CYS B 38 -6.806 3.724 5.590 1.00 0.45 N ATOM 1596 CA CYS B 38 -6.048 3.931 4.337 1.00 0.47 C ATOM 1597 C CYS B 38 -4.885 4.868 4.604 1.00 0.50 C ATOM 1598 O CYS B 38 -3.835 4.674 4.031 1.00 0.57 O ATOM 1599 CB CYS B 38 -6.964 4.537 3.273 1.00 0.48 C ATOM 1600 SG CYS B 38 -6.357 4.571 1.570 1.00 0.70 S ATOM 0 H CYS B 38 -7.720 4.173 5.640 1.00 0.45 H new ATOM 0 HA CYS B 38 -5.670 2.974 3.978 1.00 0.47 H new ATOM 0 HB2 CYS B 38 -7.904 3.985 3.284 1.00 0.48 H new ATOM 0 HB3 CYS B 38 -7.192 5.561 3.569 1.00 0.48 H new ATOM 0 HG CYS B 38 -5.528 5.562 1.425 1.00 0.70 H new ATOM 1606 N GLU B 39 -5.065 5.850 5.445 1.00 0.54 N ATOM 1607 CA GLU B 39 -3.919 6.766 5.703 1.00 0.62 C ATOM 1608 C GLU B 39 -2.844 5.965 6.384 1.00 0.58 C ATOM 1609 O GLU B 39 -1.683 6.066 6.055 1.00 0.57 O ATOM 1610 CB GLU B 39 -4.311 7.927 6.633 1.00 0.75 C ATOM 1611 CG GLU B 39 -3.057 8.739 7.038 1.00 1.35 C ATOM 1612 CD GLU B 39 -2.277 9.152 5.790 1.00 2.07 C ATOM 1613 OE1 GLU B 39 -2.943 9.590 4.869 1.00 2.82 O ATOM 1614 OE2 GLU B 39 -1.062 9.010 5.818 1.00 2.39 O ATOM 0 H GLU B 39 -5.927 6.054 5.950 1.00 0.54 H new ATOM 0 HA GLU B 39 -3.587 7.188 4.754 1.00 0.62 H new ATOM 0 HB2 GLU B 39 -5.027 8.578 6.131 1.00 0.75 H new ATOM 0 HB3 GLU B 39 -4.804 7.538 7.524 1.00 0.75 H new ATOM 0 HG2 GLU B 39 -3.353 9.624 7.602 1.00 1.35 H new ATOM 0 HG3 GLU B 39 -2.422 8.142 7.693 1.00 1.35 H new ATOM 1621 N SER B 40 -3.242 5.181 7.334 1.00 0.63 N ATOM 1622 CA SER B 40 -2.215 4.377 8.018 1.00 0.64 C ATOM 1623 C SER B 40 -1.409 3.649 6.948 1.00 0.58 C ATOM 1624 O SER B 40 -0.197 3.668 6.951 1.00 0.63 O ATOM 1625 CB SER B 40 -2.949 3.426 8.941 1.00 0.72 C ATOM 1626 OG SER B 40 -3.778 4.327 9.665 1.00 0.77 O ATOM 0 H SER B 40 -4.202 5.064 7.657 1.00 0.63 H new ATOM 0 HA SER B 40 -1.520 4.972 8.611 1.00 0.64 H new ATOM 0 HB2 SER B 40 -3.529 2.685 8.391 1.00 0.72 H new ATOM 0 HB3 SER B 40 -2.269 2.879 9.593 1.00 0.72 H new ATOM 0 HG SER B 40 -4.319 3.827 10.311 1.00 0.77 H new ATOM 1632 N LEU B 41 -2.102 3.033 6.040 1.00 0.54 N ATOM 1633 CA LEU B 41 -1.378 2.295 4.976 1.00 0.53 C ATOM 1634 C LEU B 41 -0.532 3.282 4.168 1.00 0.50 C ATOM 1635 O LEU B 41 0.569 2.983 3.750 1.00 0.55 O ATOM 1636 CB LEU B 41 -2.396 1.633 4.067 1.00 0.56 C ATOM 1637 CG LEU B 41 -1.716 0.567 3.200 1.00 0.63 C ATOM 1638 CD1 LEU B 41 -1.474 -0.697 4.042 1.00 1.05 C ATOM 1639 CD2 LEU B 41 -2.619 0.251 2.001 1.00 1.22 C ATOM 0 H LEU B 41 -3.120 3.007 5.987 1.00 0.54 H new ATOM 0 HA LEU B 41 -0.728 1.538 5.415 1.00 0.53 H new ATOM 0 HB2 LEU B 41 -3.186 1.177 4.664 1.00 0.56 H new ATOM 0 HB3 LEU B 41 -2.869 2.382 3.432 1.00 0.56 H new ATOM 0 HG LEU B 41 -0.756 0.932 2.836 1.00 0.63 H new ATOM 0 HD11 LEU B 41 -0.991 -1.456 3.428 1.00 1.05 H new ATOM 0 HD12 LEU B 41 -0.832 -0.453 4.889 1.00 1.05 H new ATOM 0 HD13 LEU B 41 -2.427 -1.079 4.407 1.00 1.05 H new ATOM 0 HD21 LEU B 41 -2.144 -0.507 1.378 1.00 1.22 H new ATOM 0 HD22 LEU B 41 -3.579 -0.122 2.357 1.00 1.22 H new ATOM 0 HD23 LEU B 41 -2.776 1.157 1.415 1.00 1.22 H new ATOM 1651 N HIS B 42 -1.097 4.438 3.983 1.00 0.50 N ATOM 1652 CA HIS B 42 -0.433 5.514 3.196 1.00 0.53 C ATOM 1653 C HIS B 42 0.935 5.786 3.810 1.00 0.55 C ATOM 1654 O HIS B 42 1.936 5.637 3.139 1.00 0.63 O ATOM 1655 CB HIS B 42 -1.349 6.773 3.239 1.00 0.54 C ATOM 1656 CG HIS B 42 -0.995 7.906 2.262 1.00 0.60 C ATOM 1657 ND1 HIS B 42 -0.807 7.800 0.986 1.00 0.61 N ATOM 1658 CD2 HIS B 42 -0.811 9.259 2.511 1.00 1.21 C ATOM 1659 CE1 HIS B 42 -0.534 8.964 0.488 1.00 0.64 C ATOM 1660 NE2 HIS B 42 -0.526 9.901 1.397 1.00 1.13 N ATOM 0 H HIS B 42 -2.014 4.690 4.353 1.00 0.50 H new ATOM 0 HA HIS B 42 -0.285 5.227 2.155 1.00 0.53 H new ATOM 0 HB2 HIS B 42 -2.373 6.458 3.041 1.00 0.54 H new ATOM 0 HB3 HIS B 42 -1.330 7.176 4.252 1.00 0.54 H new ATOM 0 HD1 HIS B 42 -0.865 6.932 0.454 1.00 0.61 H new ATOM 0 HD2 HIS B 42 -0.891 9.721 3.484 1.00 1.21 H new ATOM 0 HE1 HIS B 42 -0.336 9.139 -0.559 1.00 0.64 H new ATOM 1668 N ASP B 43 0.987 6.165 5.057 1.00 0.56 N ATOM 1669 CA ASP B 43 2.340 6.451 5.622 1.00 0.64 C ATOM 1670 C ASP B 43 3.143 5.199 5.839 1.00 0.60 C ATOM 1671 O ASP B 43 4.352 5.239 5.809 1.00 0.62 O ATOM 1672 CB ASP B 43 2.270 7.142 6.972 1.00 0.80 C ATOM 1673 CG ASP B 43 3.688 7.643 7.255 1.00 1.22 C ATOM 1674 OD1 ASP B 43 4.052 8.590 6.581 1.00 1.86 O ATOM 1675 OD2 ASP B 43 4.338 7.070 8.110 1.00 1.51 O ATOM 0 H ASP B 43 0.193 6.286 5.686 1.00 0.56 H new ATOM 0 HA ASP B 43 2.813 7.095 4.880 1.00 0.64 H new ATOM 0 HB2 ASP B 43 1.559 7.968 6.952 1.00 0.80 H new ATOM 0 HB3 ASP B 43 1.936 6.453 7.748 1.00 0.80 H new ATOM 1680 N HIS B 44 2.492 4.098 6.058 1.00 0.60 N ATOM 1681 CA HIS B 44 3.304 2.872 6.272 1.00 0.63 C ATOM 1682 C HIS B 44 4.109 2.621 5.010 1.00 0.60 C ATOM 1683 O HIS B 44 5.220 2.135 5.057 1.00 0.68 O ATOM 1684 CB HIS B 44 2.407 1.675 6.530 1.00 0.65 C ATOM 1685 CG HIS B 44 1.655 1.866 7.845 1.00 1.02 C ATOM 1686 ND1 HIS B 44 1.816 2.848 8.673 1.00 1.67 N ATOM 1687 CD2 HIS B 44 0.674 1.081 8.427 1.00 1.54 C ATOM 1688 CE1 HIS B 44 1.015 2.697 9.680 1.00 2.24 C ATOM 1689 NE2 HIS B 44 0.287 1.613 9.569 1.00 2.16 N ATOM 0 H HIS B 44 1.478 3.990 6.098 1.00 0.60 H new ATOM 0 HA HIS B 44 3.955 3.010 7.135 1.00 0.63 H new ATOM 0 HB2 HIS B 44 1.699 1.556 5.710 1.00 0.65 H new ATOM 0 HB3 HIS B 44 3.004 0.764 6.571 1.00 0.65 H new ATOM 0 HD2 HIS B 44 0.283 0.166 8.006 1.00 1.54 H new ATOM 0 HE1 HIS B 44 0.954 3.383 10.512 1.00 2.24 H new ATOM 0 HE2 HIS B 44 -0.417 1.262 10.218 1.00 2.16 H new ATOM 1697 N ALA B 45 3.534 2.957 3.892 1.00 0.57 N ATOM 1698 CA ALA B 45 4.293 2.732 2.637 1.00 0.62 C ATOM 1699 C ALA B 45 5.470 3.688 2.656 1.00 0.59 C ATOM 1700 O ALA B 45 6.549 3.376 2.194 1.00 0.61 O ATOM 1701 CB ALA B 45 3.421 3.035 1.423 1.00 0.70 C ATOM 0 H ALA B 45 2.604 3.364 3.793 1.00 0.57 H new ATOM 0 HA ALA B 45 4.618 1.694 2.571 1.00 0.62 H new ATOM 0 HB1 ALA B 45 3.994 2.865 0.512 1.00 0.70 H new ATOM 0 HB2 ALA B 45 2.548 2.382 1.430 1.00 0.70 H new ATOM 0 HB3 ALA B 45 3.097 4.075 1.458 1.00 0.70 H new ATOM 1707 N ASP B 46 5.220 4.843 3.202 1.00 0.60 N ATOM 1708 CA ASP B 46 6.304 5.862 3.268 1.00 0.65 C ATOM 1709 C ASP B 46 7.349 5.366 4.235 1.00 0.65 C ATOM 1710 O ASP B 46 8.512 5.672 4.106 1.00 0.65 O ATOM 1711 CB ASP B 46 5.763 7.184 3.780 1.00 0.76 C ATOM 1712 CG ASP B 46 6.787 8.309 3.658 1.00 0.88 C ATOM 1713 OD1 ASP B 46 7.756 8.138 2.946 1.00 1.04 O ATOM 1714 OD2 ASP B 46 6.527 9.307 4.305 1.00 1.45 O ATOM 0 H ASP B 46 4.325 5.125 3.601 1.00 0.60 H new ATOM 0 HA ASP B 46 6.721 6.013 2.272 1.00 0.65 H new ATOM 0 HB2 ASP B 46 4.866 7.449 3.221 1.00 0.76 H new ATOM 0 HB3 ASP B 46 5.468 7.075 4.824 1.00 0.76 H new ATOM 1719 N GLU B 47 6.930 4.599 5.198 1.00 0.71 N ATOM 1720 CA GLU B 47 7.937 4.108 6.166 1.00 0.81 C ATOM 1721 C GLU B 47 8.929 3.286 5.379 1.00 0.75 C ATOM 1722 O GLU B 47 10.117 3.332 5.620 1.00 0.81 O ATOM 1723 CB GLU B 47 7.264 3.235 7.239 1.00 0.97 C ATOM 1724 CG GLU B 47 8.286 2.817 8.303 1.00 1.17 C ATOM 1725 CD GLU B 47 8.808 4.073 8.984 1.00 1.52 C ATOM 1726 OE1 GLU B 47 8.156 4.477 9.928 1.00 2.02 O ATOM 1727 OE2 GLU B 47 9.824 4.565 8.525 1.00 1.97 O ATOM 0 H GLU B 47 5.967 4.300 5.353 1.00 0.71 H new ATOM 0 HA GLU B 47 8.427 4.938 6.674 1.00 0.81 H new ATOM 0 HB2 GLU B 47 6.447 3.786 7.706 1.00 0.97 H new ATOM 0 HB3 GLU B 47 6.828 2.350 6.776 1.00 0.97 H new ATOM 0 HG2 GLU B 47 7.824 2.153 9.034 1.00 1.17 H new ATOM 0 HG3 GLU B 47 9.106 2.265 7.845 1.00 1.17 H new ATOM 1734 N LEU B 48 8.425 2.544 4.441 1.00 0.72 N ATOM 1735 CA LEU B 48 9.374 1.735 3.647 1.00 0.77 C ATOM 1736 C LEU B 48 10.235 2.726 2.889 1.00 0.68 C ATOM 1737 O LEU B 48 11.423 2.546 2.739 1.00 0.93 O ATOM 1738 CB LEU B 48 8.631 0.853 2.649 1.00 0.85 C ATOM 1739 CG LEU B 48 7.642 -0.078 3.379 1.00 0.87 C ATOM 1740 CD1 LEU B 48 6.903 -0.923 2.333 1.00 1.52 C ATOM 1741 CD2 LEU B 48 8.399 -1.025 4.329 1.00 1.40 C ATOM 0 H LEU B 48 7.438 2.463 4.197 1.00 0.72 H new ATOM 0 HA LEU B 48 9.962 1.083 4.293 1.00 0.77 H new ATOM 0 HB2 LEU B 48 8.093 1.476 1.935 1.00 0.85 H new ATOM 0 HB3 LEU B 48 9.345 0.259 2.079 1.00 0.85 H new ATOM 0 HG LEU B 48 6.942 0.526 3.957 1.00 0.87 H new ATOM 0 HD11 LEU B 48 6.199 -1.588 2.834 1.00 1.52 H new ATOM 0 HD12 LEU B 48 6.361 -0.267 1.652 1.00 1.52 H new ATOM 0 HD13 LEU B 48 7.623 -1.516 1.769 1.00 1.52 H new ATOM 0 HD21 LEU B 48 7.687 -1.676 4.837 1.00 1.40 H new ATOM 0 HD22 LEU B 48 9.100 -1.631 3.756 1.00 1.40 H new ATOM 0 HD23 LEU B 48 8.946 -0.439 5.068 1.00 1.40 H new ATOM 1753 N TYR B 49 9.615 3.768 2.426 1.00 0.59 N ATOM 1754 CA TYR B 49 10.400 4.767 1.661 1.00 0.54 C ATOM 1755 C TYR B 49 11.487 5.340 2.563 1.00 0.59 C ATOM 1756 O TYR B 49 12.521 5.770 2.095 1.00 0.82 O ATOM 1757 CB TYR B 49 9.488 5.891 1.200 1.00 0.61 C ATOM 1758 CG TYR B 49 10.185 6.695 0.110 1.00 0.64 C ATOM 1759 CD1 TYR B 49 10.437 6.109 -1.109 1.00 1.29 C ATOM 1760 CD2 TYR B 49 10.566 8.003 0.319 1.00 1.33 C ATOM 1761 CE1 TYR B 49 11.061 6.815 -2.111 1.00 1.32 C ATOM 1762 CE2 TYR B 49 11.193 8.714 -0.681 1.00 1.40 C ATOM 1763 CZ TYR B 49 11.443 8.122 -1.905 1.00 0.85 C ATOM 1764 OH TYR B 49 12.066 8.817 -2.921 1.00 0.99 O ATOM 0 H TYR B 49 8.622 3.970 2.540 1.00 0.59 H new ATOM 0 HA TYR B 49 10.851 4.289 0.791 1.00 0.54 H new ATOM 0 HB2 TYR B 49 8.551 5.482 0.822 1.00 0.61 H new ATOM 0 HB3 TYR B 49 9.237 6.538 2.040 1.00 0.61 H new ATOM 0 HD1 TYR B 49 10.142 5.084 -1.281 1.00 1.29 H new ATOM 0 HD2 TYR B 49 10.372 8.473 1.272 1.00 1.33 H new ATOM 0 HE1 TYR B 49 11.252 6.342 -3.063 1.00 1.32 H new ATOM 0 HE2 TYR B 49 11.490 9.738 -0.508 1.00 1.40 H new ATOM 0 HH TYR B 49 12.271 9.726 -2.618 1.00 0.99 H new ATOM 1774 N ARG B 50 11.228 5.332 3.838 1.00 0.71 N ATOM 1775 CA ARG B 50 12.227 5.879 4.790 1.00 0.95 C ATOM 1776 C ARG B 50 13.162 4.776 5.263 1.00 1.15 C ATOM 1777 O ARG B 50 14.298 4.692 4.842 1.00 1.19 O ATOM 1778 CB ARG B 50 11.483 6.493 5.988 1.00 1.20 C ATOM 1779 CG ARG B 50 10.606 7.667 5.498 1.00 1.44 C ATOM 1780 CD ARG B 50 9.793 8.240 6.683 1.00 1.54 C ATOM 1781 NE ARG B 50 9.045 7.133 7.348 1.00 1.70 N ATOM 1782 CZ ARG B 50 7.742 7.225 7.521 1.00 1.79 C ATOM 1783 NH1 ARG B 50 7.016 7.774 6.577 1.00 2.21 N ATOM 1784 NH2 ARG B 50 7.214 6.761 8.630 1.00 2.29 N ATOM 0 H ARG B 50 10.372 4.972 4.260 1.00 0.71 H new ATOM 0 HA ARG B 50 12.825 6.645 4.295 1.00 0.95 H new ATOM 0 HB2 ARG B 50 10.863 5.738 6.471 1.00 1.20 H new ATOM 0 HB3 ARG B 50 12.197 6.844 6.733 1.00 1.20 H new ATOM 0 HG2 ARG B 50 11.233 8.446 5.064 1.00 1.44 H new ATOM 0 HG3 ARG B 50 9.931 7.327 4.712 1.00 1.44 H new ATOM 0 HD2 ARG B 50 10.460 8.724 7.397 1.00 1.54 H new ATOM 0 HD3 ARG B 50 9.099 9.002 6.328 1.00 1.54 H new ATOM 0 HE ARG B 50 9.544 6.303 7.669 1.00 1.70 H new ATOM 0 HH11 ARG B 50 7.462 8.121 5.727 1.00 2.21 H new ATOM 0 HH12 ARG B 50 6.006 7.854 6.692 1.00 2.21 H new ATOM 0 HH21 ARG B 50 7.811 6.338 9.341 1.00 2.29 H new ATOM 0 HH22 ARG B 50 6.207 6.824 8.781 1.00 2.29 H new ATOM 1798 N SER B 51 12.668 3.953 6.134 1.00 1.40 N ATOM 1799 CA SER B 51 13.501 2.853 6.657 1.00 1.77 C ATOM 1800 C SER B 51 14.185 2.042 5.551 1.00 1.70 C ATOM 1801 O SER B 51 15.327 1.654 5.705 1.00 1.91 O ATOM 1802 CB SER B 51 12.587 1.991 7.500 1.00 2.04 C ATOM 1803 OG SER B 51 12.154 2.909 8.492 1.00 2.11 O ATOM 0 H SER B 51 11.719 3.997 6.506 1.00 1.40 H new ATOM 0 HA SER B 51 14.324 3.256 7.248 1.00 1.77 H new ATOM 0 HB2 SER B 51 11.754 1.591 6.922 1.00 2.04 H new ATOM 0 HB3 SER B 51 13.112 1.140 7.933 1.00 2.04 H new ATOM 0 HG SER B 51 11.261 3.242 8.262 1.00 2.11 H new ATOM 1809 N CYS B 52 13.520 1.788 4.460 1.00 1.50 N ATOM 1810 CA CYS B 52 14.243 0.991 3.436 1.00 1.60 C ATOM 1811 C CYS B 52 15.314 1.858 2.820 1.00 1.30 C ATOM 1812 O CYS B 52 16.345 1.349 2.441 1.00 1.42 O ATOM 1813 CB CYS B 52 13.335 0.532 2.307 1.00 1.71 C ATOM 1814 SG CYS B 52 11.823 -0.360 2.741 1.00 2.41 S ATOM 0 H CYS B 52 12.567 2.077 4.240 1.00 1.50 H new ATOM 0 HA CYS B 52 14.650 0.113 3.937 1.00 1.60 H new ATOM 0 HB2 CYS B 52 13.050 1.411 1.730 1.00 1.71 H new ATOM 0 HB3 CYS B 52 13.921 -0.107 1.646 1.00 1.71 H new ATOM 0 HG CYS B 52 11.727 -0.448 4.034 1.00 2.41 H new ATOM 1820 N LEU B 53 15.068 3.136 2.724 1.00 1.00 N ATOM 1821 CA LEU B 53 16.126 3.986 2.120 1.00 0.95 C ATOM 1822 C LEU B 53 17.350 3.817 2.991 1.00 1.09 C ATOM 1823 O LEU B 53 18.463 3.826 2.509 1.00 1.19 O ATOM 1824 CB LEU B 53 15.698 5.466 2.110 1.00 0.98 C ATOM 1825 CG LEU B 53 16.871 6.387 1.687 1.00 1.21 C ATOM 1826 CD1 LEU B 53 17.436 5.988 0.308 1.00 1.56 C ATOM 1827 CD2 LEU B 53 16.341 7.828 1.603 1.00 1.58 C ATOM 0 H LEU B 53 14.217 3.611 3.024 1.00 1.00 H new ATOM 0 HA LEU B 53 16.317 3.693 1.087 1.00 0.95 H new ATOM 0 HB2 LEU B 53 14.861 5.601 1.424 1.00 0.98 H new ATOM 0 HB3 LEU B 53 15.347 5.752 3.101 1.00 0.98 H new ATOM 0 HG LEU B 53 17.671 6.295 2.422 1.00 1.21 H new ATOM 0 HD11 LEU B 53 18.257 6.655 0.044 1.00 1.56 H new ATOM 0 HD12 LEU B 53 17.801 4.962 0.348 1.00 1.56 H new ATOM 0 HD13 LEU B 53 16.650 6.065 -0.443 1.00 1.56 H new ATOM 0 HD21 LEU B 53 17.149 8.496 1.307 1.00 1.58 H new ATOM 0 HD22 LEU B 53 15.540 7.879 0.866 1.00 1.58 H new ATOM 0 HD23 LEU B 53 15.958 8.132 2.577 1.00 1.58 H new ATOM 1839 N ALA B 54 17.131 3.666 4.264 1.00 1.32 N ATOM 1840 CA ALA B 54 18.318 3.491 5.139 1.00 1.66 C ATOM 1841 C ALA B 54 18.960 2.159 4.796 1.00 1.77 C ATOM 1842 O ALA B 54 20.162 2.050 4.690 1.00 2.00 O ATOM 1843 CB ALA B 54 17.910 3.466 6.599 1.00 1.85 C ATOM 0 H ALA B 54 16.220 3.656 4.723 1.00 1.32 H new ATOM 0 HA ALA B 54 19.008 4.320 4.981 1.00 1.66 H new ATOM 0 HB1 ALA B 54 18.795 3.337 7.222 1.00 1.85 H new ATOM 0 HB2 ALA B 54 17.419 4.405 6.856 1.00 1.85 H new ATOM 0 HB3 ALA B 54 17.222 2.638 6.770 1.00 1.85 H new ATOM 1849 N ARG B 55 18.130 1.170 4.628 1.00 1.75 N ATOM 1850 CA ARG B 55 18.666 -0.176 4.289 1.00 1.93 C ATOM 1851 C ARG B 55 19.226 -0.182 2.885 1.00 1.58 C ATOM 1852 O ARG B 55 19.855 -1.137 2.481 1.00 1.71 O ATOM 1853 CB ARG B 55 17.565 -1.223 4.349 1.00 2.36 C ATOM 1854 CG ARG B 55 17.222 -1.569 5.801 1.00 2.73 C ATOM 1855 CD ARG B 55 18.351 -2.429 6.405 1.00 3.04 C ATOM 1856 NE ARG B 55 18.554 -3.613 5.529 1.00 2.92 N ATOM 1857 CZ ARG B 55 19.265 -4.619 5.978 1.00 3.13 C ATOM 1858 NH1 ARG B 55 20.559 -4.463 6.120 1.00 3.65 N ATOM 1859 NH2 ARG B 55 18.648 -5.739 6.265 1.00 3.41 N ATOM 0 H ARG B 55 17.115 1.233 4.709 1.00 1.75 H new ATOM 0 HA ARG B 55 19.447 -0.408 5.013 1.00 1.93 H new ATOM 0 HB2 ARG B 55 16.676 -0.852 3.839 1.00 2.36 H new ATOM 0 HB3 ARG B 55 17.883 -2.122 3.822 1.00 2.36 H new ATOM 0 HG2 ARG B 55 17.094 -0.656 6.383 1.00 2.73 H new ATOM 0 HG3 ARG B 55 16.276 -2.109 5.844 1.00 2.73 H new ATOM 0 HD2 ARG B 55 19.271 -1.850 6.480 1.00 3.04 H new ATOM 0 HD3 ARG B 55 18.090 -2.744 7.415 1.00 3.04 H new ATOM 0 HE ARG B 55 18.147 -3.642 4.594 1.00 2.92 H new ATOM 0 HH11 ARG B 55 20.994 -3.572 5.883 1.00 3.65 H new ATOM 0 HH12 ARG B 55 21.130 -5.233 6.468 1.00 3.65 H new ATOM 0 HH21 ARG B 55 17.639 -5.812 6.137 1.00 3.41 H new ATOM 0 HH22 ARG B 55 19.177 -6.537 6.616 1.00 3.41 H new ATOM 1873 N PHE B 56 18.988 0.869 2.162 1.00 1.42 N ATOM 1874 CA PHE B 56 19.507 0.884 0.778 1.00 1.63 C ATOM 1875 C PHE B 56 20.737 1.739 0.646 1.00 2.45 C ATOM 1876 O PHE B 56 21.775 1.227 0.295 1.00 3.11 O ATOM 1877 CB PHE B 56 18.450 1.421 -0.177 1.00 1.48 C ATOM 1878 CG PHE B 56 17.219 0.501 -0.256 1.00 1.19 C ATOM 1879 CD1 PHE B 56 17.208 -0.802 0.229 1.00 1.30 C ATOM 1880 CD2 PHE B 56 16.072 0.998 -0.841 1.00 1.63 C ATOM 1881 CE1 PHE B 56 16.073 -1.577 0.121 1.00 1.24 C ATOM 1882 CE2 PHE B 56 14.938 0.222 -0.948 1.00 1.51 C ATOM 1883 CZ PHE B 56 14.937 -1.066 -0.467 1.00 0.99 C ATOM 0 H PHE B 56 18.471 1.696 2.459 1.00 1.42 H new ATOM 0 HA PHE B 56 19.764 -0.145 0.528 1.00 1.63 H new ATOM 0 HB2 PHE B 56 18.139 2.414 0.148 1.00 1.48 H new ATOM 0 HB3 PHE B 56 18.883 1.532 -1.171 1.00 1.48 H new ATOM 0 HD1 PHE B 56 18.094 -1.209 0.693 1.00 1.30 H new ATOM 0 HD2 PHE B 56 16.063 2.009 -1.220 1.00 1.63 H new ATOM 0 HE1 PHE B 56 16.075 -2.589 0.499 1.00 1.24 H new ATOM 0 HE2 PHE B 56 14.049 0.626 -1.410 1.00 1.51 H new ATOM 0 HZ PHE B 56 14.049 -1.675 -0.550 1.00 0.99 H new