USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 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 37 ASN : amide:sc= 0.186 K(o=1.8,f=-0.12) USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= 0.866 USER MOD Set 1.3: A 42 SER OG : rot -108:sc= 0.723! USER MOD Set 2.1: A 5 ASN : amide:sc= -2.94! C(o=-3.6!,f=-14!) USER MOD Set 2.2: A 40 ASN : amide:sc= -0.634 K(o=-3.6,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ -140:sc= 0.252! (180deg=-2.1!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -116:sc= 0.355 (180deg=-0.505) USER MOD Single : A 16 SER OG : rot 64:sc= 0.507 USER MOD Single : A 17 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.0034) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0655 USER MOD Single : A 27 SER OG : rot 180:sc= 0.119 USER MOD Single : A 29 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.32) USER MOD Single : A 30 THR OG1 : rot 106:sc= -0.321 USER MOD Single : A 32 ASN : amide:sc= -1.27! X(o=-1.3!,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= -0.0101 (180deg=-0.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.685 K(o=-0.68,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.0899 (180deg=-0.817) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.8! C(o=-3.8!,f=-12!) USER MOD Single : A 55 THR OG1 : rot 42:sc= 0.0158 USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -6.679 -3.806 6.843 1.00 0.00 N ATOM 71 CA ASN A 5 -5.419 -3.776 7.584 1.00 0.00 C ATOM 72 C ASN A 5 -4.285 -4.447 6.832 1.00 0.00 C ATOM 73 O ASN A 5 -4.468 -5.488 6.190 1.00 0.00 O ATOM 74 CB ASN A 5 -5.586 -4.402 8.975 1.00 0.00 C ATOM 75 CG ASN A 5 -4.341 -4.152 9.824 1.00 0.00 C ATOM 76 OD1 ASN A 5 -3.238 -4.503 9.425 1.00 0.00 O ATOM 77 ND2 ASN A 5 -4.453 -3.563 10.973 1.00 0.00 N ATOM 0 HA ASN A 5 -5.150 -2.726 7.700 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.461 -3.979 9.468 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.760 -5.474 8.880 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.624 -3.393 11.542 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.370 -3.269 11.308 1.00 0.00 H new ATOM 84 N LEU A 6 -3.099 -3.880 6.979 1.00 0.00 N ATOM 85 CA LEU A 6 -1.897 -4.396 6.349 1.00 0.00 C ATOM 86 C LEU A 6 -1.627 -5.802 6.826 1.00 0.00 C ATOM 87 O LEU A 6 -1.235 -6.665 6.044 1.00 0.00 O ATOM 88 CB LEU A 6 -0.708 -3.497 6.672 1.00 0.00 C ATOM 89 CG LEU A 6 -0.908 -2.139 5.994 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.171 -1.175 6.458 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.818 -2.306 4.475 1.00 0.00 C ATOM 0 H LEU A 6 -2.943 -3.044 7.542 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.044 -4.411 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.616 -3.369 7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.217 -3.958 6.325 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.889 -1.745 6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.028 -0.209 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.109 -1.053 7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.151 -1.571 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.961 -1.339 3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.162 -2.702 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.592 -2.996 4.138 1.00 0.00 H new ATOM 103 N LYS A 7 -1.934 -6.055 8.080 1.00 0.00 N ATOM 104 CA LYS A 7 -1.828 -7.392 8.620 1.00 0.00 C ATOM 105 C LYS A 7 -2.634 -8.333 7.755 1.00 0.00 C ATOM 106 O LYS A 7 -2.133 -9.355 7.282 1.00 0.00 O ATOM 107 CB LYS A 7 -2.419 -7.389 10.042 1.00 0.00 C ATOM 108 CG LYS A 7 -2.660 -8.824 10.538 1.00 0.00 C ATOM 109 CD LYS A 7 -3.190 -8.779 11.974 1.00 0.00 C ATOM 110 CE LYS A 7 -3.424 -10.200 12.498 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.370 -10.907 11.603 1.00 0.00 N ATOM 0 H LYS A 7 -2.259 -5.352 8.744 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.786 -7.712 8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.740 -6.874 10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.358 -6.835 10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.375 -9.330 9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.733 -9.396 10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.478 -8.260 12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.121 -8.213 12.008 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.479 -10.741 12.547 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.823 -10.164 13.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.027 -11.477 12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.907 -10.212 11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.840 -11.529 10.960 1.00 0.00 H new ATOM 125 N LEU A 8 -3.845 -7.930 7.471 1.00 0.00 N ATOM 126 CA LEU A 8 -4.708 -8.693 6.611 1.00 0.00 C ATOM 127 C LEU A 8 -4.160 -8.715 5.194 1.00 0.00 C ATOM 128 O LEU A 8 -4.178 -9.754 4.526 1.00 0.00 O ATOM 129 CB LEU A 8 -6.130 -8.157 6.674 1.00 0.00 C ATOM 130 CG LEU A 8 -6.669 -8.393 8.094 1.00 0.00 C ATOM 131 CD1 LEU A 8 -8.045 -7.746 8.243 1.00 0.00 C ATOM 132 CD2 LEU A 8 -6.785 -9.901 8.361 1.00 0.00 C ATOM 0 H LEU A 8 -4.258 -7.068 7.828 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.739 -9.725 6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.147 -7.094 6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.759 -8.661 5.940 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.981 -7.947 8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.420 -7.918 9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.964 -6.674 8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.733 -8.184 7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.167 -10.064 9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.467 -10.347 7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.803 -10.364 8.267 1.00 0.00 H new ATOM 144 N ILE A 9 -3.610 -7.587 4.755 1.00 0.00 N ATOM 145 CA ILE A 9 -3.004 -7.530 3.432 1.00 0.00 C ATOM 146 C ILE A 9 -1.830 -8.506 3.408 1.00 0.00 C ATOM 147 O ILE A 9 -1.686 -9.299 2.478 1.00 0.00 O ATOM 148 CB ILE A 9 -2.471 -6.103 3.142 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.625 -5.086 3.051 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.709 -6.101 1.811 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.529 -5.407 1.856 1.00 0.00 C ATOM 0 H ILE A 9 -3.572 -6.716 5.285 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.748 -7.788 2.678 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.811 -5.816 3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.208 -5.105 3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.222 -4.078 2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.335 -5.098 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.871 -6.796 1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.379 -6.408 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.339 -4.679 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.945 -5.364 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.947 -6.407 1.974 1.00 0.00 H new ATOM 163 N ARG A 10 -1.040 -8.488 4.475 1.00 0.00 N ATOM 164 CA ARG A 10 0.088 -9.392 4.610 1.00 0.00 C ATOM 165 C ARG A 10 -0.401 -10.831 4.592 1.00 0.00 C ATOM 166 O ARG A 10 0.177 -11.688 3.917 1.00 0.00 O ATOM 167 CB ARG A 10 0.830 -9.115 5.925 1.00 0.00 C ATOM 168 CG ARG A 10 2.069 -10.021 6.036 1.00 0.00 C ATOM 169 CD ARG A 10 1.773 -11.187 6.987 1.00 0.00 C ATOM 170 NE ARG A 10 1.248 -10.695 8.262 1.00 0.00 N ATOM 171 CZ ARG A 10 0.600 -11.494 9.108 1.00 0.00 C ATOM 172 NH1 ARG A 10 0.454 -12.755 8.817 1.00 0.00 N ATOM 173 NH2 ARG A 10 0.123 -11.020 10.221 1.00 0.00 N ATOM 0 H ARG A 10 -1.164 -7.852 5.262 1.00 0.00 H new ATOM 0 HA ARG A 10 0.771 -9.233 3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.131 -8.068 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.165 -9.291 6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.342 -10.402 5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.920 -9.447 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.052 -11.863 6.528 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.683 -11.761 7.160 1.00 0.00 H new ATOM 0 HE ARG A 10 1.382 -9.714 8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.835 -13.125 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.041 -13.373 9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.244 -10.033 10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.373 -11.635 10.866 1.00 0.00 H new ATOM 187 N GLU A 11 -1.476 -11.092 5.319 1.00 0.00 N ATOM 188 CA GLU A 11 -2.047 -12.423 5.357 1.00 0.00 C ATOM 189 C GLU A 11 -2.576 -12.790 3.977 1.00 0.00 C ATOM 190 O GLU A 11 -2.279 -13.865 3.461 1.00 0.00 O ATOM 191 CB GLU A 11 -3.147 -12.503 6.423 1.00 0.00 C ATOM 192 CG GLU A 11 -2.503 -12.390 7.818 1.00 0.00 C ATOM 193 CD GLU A 11 -3.554 -12.362 8.918 1.00 0.00 C ATOM 194 OE1 GLU A 11 -4.731 -12.400 8.617 1.00 0.00 O ATOM 195 OE2 GLU A 11 -3.162 -12.299 10.065 1.00 0.00 O ATOM 0 H GLU A 11 -1.967 -10.401 5.887 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.275 -13.143 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.872 -11.702 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.690 -13.444 6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.830 -13.232 7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.898 -11.485 7.868 1.00 0.00 H new ATOM 202 N LYS A 12 -3.198 -11.822 3.311 1.00 0.00 N ATOM 203 CA LYS A 12 -3.598 -11.996 1.925 1.00 0.00 C ATOM 204 C LYS A 12 -2.371 -12.244 1.060 1.00 0.00 C ATOM 205 O LYS A 12 -2.364 -13.151 0.216 1.00 0.00 O ATOM 206 CB LYS A 12 -4.352 -10.763 1.432 1.00 0.00 C ATOM 207 CG LYS A 12 -4.805 -10.962 -0.022 1.00 0.00 C ATOM 208 CD LYS A 12 -5.648 -9.767 -0.472 1.00 0.00 C ATOM 209 CE LYS A 12 -4.850 -8.470 -0.257 1.00 0.00 C ATOM 210 NZ LYS A 12 -5.299 -7.427 -1.212 1.00 0.00 N ATOM 0 H LYS A 12 -3.434 -10.913 3.710 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.261 -12.858 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.218 -10.579 2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.712 -9.884 1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.936 -11.071 -0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.385 -11.881 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.916 -9.872 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.580 -9.732 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.983 -8.118 0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.786 -8.663 -0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.753 -6.556 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.150 -7.760 -2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.310 -7.233 -1.064 1.00 0.00 H new ATOM 224 N LYS A 13 -1.321 -11.464 1.303 1.00 0.00 N ATOM 225 CA LYS A 13 -0.070 -11.608 0.564 1.00 0.00 C ATOM 226 C LYS A 13 0.655 -12.884 0.942 1.00 0.00 C ATOM 227 O LYS A 13 1.556 -13.319 0.214 1.00 0.00 O ATOM 228 CB LYS A 13 0.849 -10.394 0.791 1.00 0.00 C ATOM 229 CG LYS A 13 0.921 -9.540 -0.478 1.00 0.00 C ATOM 230 CD LYS A 13 1.780 -10.287 -1.506 1.00 0.00 C ATOM 231 CE LYS A 13 1.928 -9.460 -2.779 1.00 0.00 C ATOM 232 NZ LYS A 13 2.814 -10.174 -3.727 1.00 0.00 N ATOM 0 H LYS A 13 -1.312 -10.725 2.006 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.326 -11.661 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.474 -9.795 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.848 -10.732 1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.079 -9.362 -0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.354 -8.565 -0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.763 -10.496 -1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.323 -11.248 -1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.951 -9.292 -3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.343 -8.480 -2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.917 -9.612 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.748 -10.313 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.400 -11.099 -3.960 1.00 0.00 H new ATOM 246 N LYS A 14 0.223 -13.523 2.022 1.00 0.00 N ATOM 247 CA LYS A 14 0.798 -14.800 2.431 1.00 0.00 C ATOM 248 C LYS A 14 2.314 -14.706 2.329 1.00 0.00 C ATOM 249 O LYS A 14 2.926 -15.285 1.418 1.00 0.00 O ATOM 250 CB LYS A 14 0.291 -15.899 1.485 1.00 0.00 C ATOM 251 CG LYS A 14 -1.245 -15.879 1.465 1.00 0.00 C ATOM 252 CD LYS A 14 -1.765 -16.844 0.398 1.00 0.00 C ATOM 253 CE LYS A 14 -3.293 -16.708 0.286 1.00 0.00 C ATOM 254 NZ LYS A 14 -3.657 -15.309 -0.097 1.00 0.00 N ATOM 0 H LYS A 14 -0.521 -13.180 2.629 1.00 0.00 H new ATOM 0 HA LYS A 14 0.509 -15.036 3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.682 -15.739 0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.650 -16.874 1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.634 -16.161 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.601 -14.870 1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.298 -16.627 -0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.498 -17.868 0.658 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.675 -17.408 -0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.760 -16.966 1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.200 -14.869 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.791 -14.759 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.233 -15.325 -0.963 1.00 0.00 H new ATOM 268 N ILE A 15 2.903 -13.863 3.152 1.00 0.00 N ATOM 269 CA ILE A 15 4.308 -13.552 3.000 1.00 0.00 C ATOM 270 C ILE A 15 5.173 -14.560 3.734 1.00 0.00 C ATOM 271 O ILE A 15 5.088 -14.705 4.951 1.00 0.00 O ATOM 272 CB ILE A 15 4.587 -12.128 3.519 1.00 0.00 C ATOM 273 CG1 ILE A 15 3.762 -11.125 2.708 1.00 0.00 C ATOM 274 CG2 ILE A 15 6.074 -11.788 3.362 1.00 0.00 C ATOM 275 CD1 ILE A 15 3.928 -9.722 3.299 1.00 0.00 C ATOM 0 H ILE A 15 2.437 -13.386 3.924 1.00 0.00 H new ATOM 0 HA ILE A 15 4.560 -13.603 1.941 1.00 0.00 H new ATOM 0 HB ILE A 15 4.315 -12.077 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.085 -11.132 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.711 -11.412 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.258 -10.779 3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.672 -12.499 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.351 -11.844 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.339 -9.011 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.584 -9.720 4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.979 -9.435 3.266 1.00 0.00 H new ATOM 287 N SER A 16 6.027 -15.222 2.979 1.00 0.00 N ATOM 288 CA SER A 16 6.971 -16.183 3.513 1.00 0.00 C ATOM 289 C SER A 16 8.156 -15.441 4.112 1.00 0.00 C ATOM 290 O SER A 16 8.359 -14.264 3.821 1.00 0.00 O ATOM 291 CB SER A 16 7.441 -17.101 2.383 1.00 0.00 C ATOM 292 OG SER A 16 6.313 -17.474 1.589 1.00 0.00 O ATOM 0 H SER A 16 6.086 -15.107 1.967 1.00 0.00 H new ATOM 0 HA SER A 16 6.497 -16.783 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.183 -16.592 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.922 -17.988 2.794 1.00 0.00 H new ATOM 0 HG SER A 16 5.936 -16.677 1.161 1.00 0.00 H new ATOM 298 N GLN A 17 8.950 -16.112 4.927 1.00 0.00 N ATOM 299 CA GLN A 17 10.099 -15.458 5.542 1.00 0.00 C ATOM 300 C GLN A 17 11.009 -14.891 4.461 1.00 0.00 C ATOM 301 O GLN A 17 11.419 -13.735 4.521 1.00 0.00 O ATOM 302 CB GLN A 17 10.889 -16.459 6.381 1.00 0.00 C ATOM 303 CG GLN A 17 10.075 -16.884 7.605 1.00 0.00 C ATOM 304 CD GLN A 17 10.858 -17.919 8.403 1.00 0.00 C ATOM 305 OE1 GLN A 17 10.523 -18.209 9.553 1.00 0.00 O ATOM 306 NE2 GLN A 17 11.884 -18.503 7.866 1.00 0.00 N ATOM 0 H GLN A 17 8.827 -17.093 5.178 1.00 0.00 H new ATOM 0 HA GLN A 17 9.739 -14.653 6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.137 -17.333 5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.832 -16.014 6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.857 -16.017 8.229 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.117 -17.300 7.291 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.165 -18.266 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.410 -19.199 8.395 1.00 0.00 H new ATOM 315 N SER A 18 11.241 -15.678 3.429 1.00 0.00 N ATOM 316 CA SER A 18 12.038 -15.238 2.299 1.00 0.00 C ATOM 317 C SER A 18 11.374 -14.046 1.620 1.00 0.00 C ATOM 318 O SER A 18 12.027 -13.044 1.308 1.00 0.00 O ATOM 319 CB SER A 18 12.194 -16.391 1.317 1.00 0.00 C ATOM 320 OG SER A 18 10.962 -17.122 1.255 1.00 0.00 O ATOM 0 H SER A 18 10.887 -16.631 3.349 1.00 0.00 H new ATOM 0 HA SER A 18 13.023 -14.927 2.647 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.457 -16.011 0.330 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.005 -17.047 1.632 1.00 0.00 H new ATOM 0 HG SER A 18 11.054 -17.865 0.623 1.00 0.00 H new ATOM 326 N GLU A 19 10.060 -14.130 1.482 1.00 0.00 N ATOM 327 CA GLU A 19 9.280 -13.043 0.915 1.00 0.00 C ATOM 328 C GLU A 19 9.345 -11.847 1.852 1.00 0.00 C ATOM 329 O GLU A 19 9.572 -10.720 1.423 1.00 0.00 O ATOM 330 CB GLU A 19 7.834 -13.491 0.721 1.00 0.00 C ATOM 331 CG GLU A 19 7.784 -14.580 -0.362 1.00 0.00 C ATOM 332 CD GLU A 19 6.374 -15.107 -0.516 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.729 -15.323 0.488 1.00 0.00 O ATOM 334 OE2 GLU A 19 5.960 -15.303 -1.630 1.00 0.00 O ATOM 0 H GLU A 19 9.510 -14.944 1.757 1.00 0.00 H new ATOM 0 HA GLU A 19 9.686 -12.761 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.431 -13.874 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.214 -12.643 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.133 -14.174 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.457 -15.396 -0.098 1.00 0.00 H new ATOM 341 N LEU A 20 9.276 -12.123 3.142 1.00 0.00 N ATOM 342 CA LEU A 20 9.455 -11.090 4.144 1.00 0.00 C ATOM 343 C LEU A 20 10.853 -10.521 4.010 1.00 0.00 C ATOM 344 O LEU A 20 11.049 -9.309 4.023 1.00 0.00 O ATOM 345 CB LEU A 20 9.254 -11.666 5.558 1.00 0.00 C ATOM 346 CG LEU A 20 9.465 -10.570 6.619 1.00 0.00 C ATOM 347 CD1 LEU A 20 8.476 -9.424 6.403 1.00 0.00 C ATOM 348 CD2 LEU A 20 9.270 -11.157 8.022 1.00 0.00 C ATOM 0 H LEU A 20 9.097 -13.054 3.519 1.00 0.00 H new ATOM 0 HA LEU A 20 8.716 -10.304 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.250 -12.081 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.954 -12.484 5.727 1.00 0.00 H new ATOM 0 HG LEU A 20 10.480 -10.185 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.637 -8.657 7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.628 -8.994 5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.457 -9.803 6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.421 -10.376 8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.259 -11.555 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.991 -11.958 8.185 1.00 0.00 H new ATOM 360 N ALA A 21 11.821 -11.402 3.824 1.00 0.00 N ATOM 361 CA ALA A 21 13.196 -10.979 3.659 1.00 0.00 C ATOM 362 C ALA A 21 13.337 -10.009 2.506 1.00 0.00 C ATOM 363 O ALA A 21 14.227 -9.159 2.518 1.00 0.00 O ATOM 364 CB ALA A 21 14.146 -12.156 3.497 1.00 0.00 C ATOM 0 H ALA A 21 11.678 -12.411 3.784 1.00 0.00 H new ATOM 0 HA ALA A 21 13.478 -10.462 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.165 -11.787 3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 21 14.092 -12.791 4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.863 -12.734 2.617 1.00 0.00 H new ATOM 370 N ALA A 22 12.415 -10.072 1.549 1.00 0.00 N ATOM 371 CA ALA A 22 12.401 -9.101 0.461 1.00 0.00 C ATOM 372 C ALA A 22 12.285 -7.706 1.062 1.00 0.00 C ATOM 373 O ALA A 22 12.973 -6.771 0.658 1.00 0.00 O ATOM 374 CB ALA A 22 11.223 -9.361 -0.483 1.00 0.00 C ATOM 0 H ALA A 22 11.678 -10.775 1.505 1.00 0.00 H new ATOM 0 HA ALA A 22 13.321 -9.189 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.232 -8.625 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.310 -10.362 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.288 -9.281 0.071 1.00 0.00 H new ATOM 380 N LEU A 23 11.504 -7.613 2.120 1.00 0.00 N ATOM 381 CA LEU A 23 11.402 -6.392 2.895 1.00 0.00 C ATOM 382 C LEU A 23 12.742 -6.114 3.578 1.00 0.00 C ATOM 383 O LEU A 23 13.158 -4.961 3.731 1.00 0.00 O ATOM 384 CB LEU A 23 10.273 -6.501 3.932 1.00 0.00 C ATOM 385 CG LEU A 23 8.920 -6.624 3.201 1.00 0.00 C ATOM 386 CD1 LEU A 23 7.805 -6.942 4.202 1.00 0.00 C ATOM 387 CD2 LEU A 23 8.600 -5.314 2.477 1.00 0.00 C ATOM 0 H LEU A 23 10.925 -8.378 2.466 1.00 0.00 H new ATOM 0 HA LEU A 23 11.162 -5.563 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.434 -7.369 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.272 -5.624 4.579 1.00 0.00 H new ATOM 0 HG LEU A 23 8.987 -7.433 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.855 -7.026 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.025 -7.884 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.740 -6.143 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.644 -5.407 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.545 -4.502 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.383 -5.099 1.750 1.00 0.00 H new ATOM 399 N LEU A 24 13.414 -7.190 3.988 1.00 0.00 N ATOM 400 CA LEU A 24 14.710 -7.081 4.666 1.00 0.00 C ATOM 401 C LEU A 24 15.835 -6.766 3.684 1.00 0.00 C ATOM 402 O LEU A 24 16.971 -6.523 4.099 1.00 0.00 O ATOM 403 CB LEU A 24 15.050 -8.347 5.481 1.00 0.00 C ATOM 404 CG LEU A 24 14.331 -8.353 6.860 1.00 0.00 C ATOM 405 CD1 LEU A 24 14.099 -6.938 7.372 1.00 0.00 C ATOM 406 CD2 LEU A 24 12.987 -9.064 6.763 1.00 0.00 C ATOM 0 H LEU A 24 13.084 -8.147 3.864 1.00 0.00 H new ATOM 0 HA LEU A 24 14.621 -6.249 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.760 -9.233 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.128 -8.404 5.632 1.00 0.00 H new ATOM 0 HG LEU A 24 14.980 -8.883 7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.595 -6.979 8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.057 -6.430 7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.479 -6.391 6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.500 -9.057 7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.355 -8.550 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.143 -10.094 6.443 1.00 0.00 H new ATOM 418 N GLU A 25 15.504 -6.622 2.408 1.00 0.00 N ATOM 419 CA GLU A 25 16.491 -6.127 1.452 1.00 0.00 C ATOM 420 C GLU A 25 16.965 -4.759 1.927 1.00 0.00 C ATOM 421 O GLU A 25 18.070 -4.315 1.606 1.00 0.00 O ATOM 422 CB GLU A 25 15.905 -6.040 0.046 1.00 0.00 C ATOM 423 CG GLU A 25 15.614 -7.455 -0.480 1.00 0.00 C ATOM 424 CD GLU A 25 16.902 -8.246 -0.627 1.00 0.00 C ATOM 425 OE1 GLU A 25 17.919 -7.649 -0.919 1.00 0.00 O ATOM 426 OE2 GLU A 25 16.855 -9.440 -0.448 1.00 0.00 O ATOM 0 H GLU A 25 14.586 -6.834 2.016 1.00 0.00 H new ATOM 0 HA GLU A 25 17.332 -6.819 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.988 -5.450 0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 25 16.602 -5.530 -0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.940 -7.971 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.107 -7.394 -1.443 1.00 0.00 H new ATOM 433 N VAL A 26 16.178 -4.187 2.822 1.00 0.00 N ATOM 434 CA VAL A 26 16.524 -2.978 3.528 1.00 0.00 C ATOM 435 C VAL A 26 16.850 -3.368 4.972 1.00 0.00 C ATOM 436 O VAL A 26 16.243 -4.300 5.515 1.00 0.00 O ATOM 437 CB VAL A 26 15.334 -2.001 3.484 1.00 0.00 C ATOM 438 CG1 VAL A 26 15.555 -0.833 4.450 1.00 0.00 C ATOM 439 CG2 VAL A 26 15.167 -1.461 2.057 1.00 0.00 C ATOM 0 H VAL A 26 15.265 -4.562 3.079 1.00 0.00 H new ATOM 0 HA VAL A 26 17.382 -2.485 3.071 1.00 0.00 H new ATOM 0 HB VAL A 26 14.433 -2.536 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.703 -0.155 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.659 -1.215 5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.461 -0.296 4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.325 -0.770 2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 26 16.076 -0.940 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.981 -2.290 1.374 1.00 0.00 H new ATOM 449 N SER A 27 17.896 -2.776 5.519 1.00 0.00 N ATOM 450 CA SER A 27 18.432 -3.173 6.823 1.00 0.00 C ATOM 451 C SER A 27 17.308 -3.420 7.837 1.00 0.00 C ATOM 452 O SER A 27 16.369 -2.628 7.926 1.00 0.00 O ATOM 453 CB SER A 27 19.328 -2.050 7.346 1.00 0.00 C ATOM 454 OG SER A 27 19.952 -1.390 6.241 1.00 0.00 O ATOM 0 H SER A 27 18.402 -2.007 5.079 1.00 0.00 H new ATOM 0 HA SER A 27 18.994 -4.099 6.699 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.739 -1.338 7.924 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.085 -2.456 8.017 1.00 0.00 H new ATOM 0 HG SER A 27 20.526 -0.668 6.573 1.00 0.00 H new ATOM 460 N ARG A 28 17.443 -4.464 8.659 1.00 0.00 N ATOM 461 CA ARG A 28 16.442 -4.742 9.691 1.00 0.00 C ATOM 462 C ARG A 28 16.376 -3.569 10.631 1.00 0.00 C ATOM 463 O ARG A 28 15.307 -3.168 11.093 1.00 0.00 O ATOM 464 CB ARG A 28 16.787 -5.997 10.507 1.00 0.00 C ATOM 465 CG ARG A 28 16.652 -7.255 9.650 1.00 0.00 C ATOM 466 CD ARG A 28 16.784 -8.486 10.550 1.00 0.00 C ATOM 467 NE ARG A 28 18.068 -8.485 11.262 1.00 0.00 N ATOM 468 CZ ARG A 28 19.181 -8.992 10.735 1.00 0.00 C ATOM 469 NH1 ARG A 28 19.182 -9.431 9.511 1.00 0.00 N ATOM 470 NH2 ARG A 28 20.268 -9.029 11.441 1.00 0.00 N ATOM 0 H ARG A 28 18.223 -5.121 8.632 1.00 0.00 H new ATOM 0 HA ARG A 28 15.487 -4.910 9.193 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.805 -5.919 10.889 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.126 -6.067 11.371 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.688 -7.262 9.141 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.421 -7.269 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.966 -8.504 11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.699 -9.391 9.948 1.00 0.00 H new ATOM 0 HE ARG A 28 18.109 -8.080 12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.329 -9.387 8.953 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.035 -9.819 9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.268 -8.671 12.396 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.123 -9.416 11.041 1.00 0.00 H new ATOM 484 N GLN A 29 17.530 -2.993 10.879 1.00 0.00 N ATOM 485 CA GLN A 29 17.618 -1.845 11.741 1.00 0.00 C ATOM 486 C GLN A 29 16.641 -0.777 11.264 1.00 0.00 C ATOM 487 O GLN A 29 16.144 0.021 12.054 1.00 0.00 O ATOM 488 CB GLN A 29 19.046 -1.302 11.743 1.00 0.00 C ATOM 489 CG GLN A 29 20.027 -2.424 12.141 1.00 0.00 C ATOM 490 CD GLN A 29 19.661 -2.995 13.508 1.00 0.00 C ATOM 491 OE1 GLN A 29 19.411 -2.247 14.446 1.00 0.00 O ATOM 492 NE2 GLN A 29 19.602 -4.280 13.674 1.00 0.00 N ATOM 0 H GLN A 29 18.421 -3.305 10.493 1.00 0.00 H new ATOM 0 HA GLN A 29 17.358 -2.133 12.759 1.00 0.00 H new ATOM 0 HB2 GLN A 29 19.300 -0.916 10.756 1.00 0.00 H new ATOM 0 HB3 GLN A 29 19.128 -0.469 12.441 1.00 0.00 H new ATOM 0 HG2 GLN A 29 20.006 -3.216 11.392 1.00 0.00 H new ATOM 0 HG3 GLN A 29 21.045 -2.034 12.164 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.810 -4.905 12.895 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.348 -4.666 14.584 1.00 0.00 H new ATOM 501 N THR A 30 16.361 -0.782 9.963 1.00 0.00 N ATOM 502 CA THR A 30 15.402 0.144 9.386 1.00 0.00 C ATOM 503 C THR A 30 14.004 -0.153 9.950 1.00 0.00 C ATOM 504 O THR A 30 13.334 0.728 10.472 1.00 0.00 O ATOM 505 CB THR A 30 15.379 -0.042 7.862 1.00 0.00 C ATOM 506 OG1 THR A 30 16.703 -0.288 7.406 1.00 0.00 O ATOM 507 CG2 THR A 30 14.856 1.233 7.194 1.00 0.00 C ATOM 0 H THR A 30 16.788 -1.420 9.291 1.00 0.00 H new ATOM 0 HA THR A 30 15.687 1.167 9.631 1.00 0.00 H new ATOM 0 HB THR A 30 14.730 -0.880 7.609 1.00 0.00 H new ATOM 0 HG1 THR A 30 16.798 -1.235 7.174 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.841 1.097 6.113 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.846 1.441 7.548 1.00 0.00 H new ATOM 0 HG23 THR A 30 15.508 2.069 7.446 1.00 0.00 H new ATOM 515 N ILE A 31 13.606 -1.421 9.889 1.00 0.00 N ATOM 516 CA ILE A 31 12.312 -1.846 10.414 1.00 0.00 C ATOM 517 C ILE A 31 12.301 -1.842 11.937 1.00 0.00 C ATOM 518 O ILE A 31 11.240 -1.771 12.561 1.00 0.00 O ATOM 519 CB ILE A 31 11.896 -3.221 9.840 1.00 0.00 C ATOM 520 CG1 ILE A 31 10.436 -3.515 10.197 1.00 0.00 C ATOM 521 CG2 ILE A 31 12.793 -4.335 10.388 1.00 0.00 C ATOM 522 CD1 ILE A 31 9.953 -4.740 9.417 1.00 0.00 C ATOM 0 H ILE A 31 14.162 -2.173 9.481 1.00 0.00 H new ATOM 0 HA ILE A 31 11.568 -1.120 10.086 1.00 0.00 H new ATOM 0 HB ILE A 31 12.007 -3.187 8.756 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.342 -3.693 11.268 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.813 -2.652 9.961 1.00 0.00 H new ATOM 0 HG21 ILE A 31 12.481 -5.292 9.970 1.00 0.00 H new ATOM 0 HG22 ILE A 31 13.828 -4.138 10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.709 -4.369 11.474 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.914 -4.948 9.672 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.032 -4.545 8.348 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.569 -5.602 9.675 1.00 0.00 H new ATOM 534 N ASN A 32 13.487 -1.974 12.532 1.00 0.00 N ATOM 535 CA ASN A 32 13.627 -2.059 13.992 1.00 0.00 C ATOM 536 C ASN A 32 12.706 -1.083 14.699 1.00 0.00 C ATOM 537 O ASN A 32 12.285 -1.325 15.831 1.00 0.00 O ATOM 538 CB ASN A 32 15.067 -1.814 14.429 1.00 0.00 C ATOM 539 CG ASN A 32 15.324 -2.523 15.751 1.00 0.00 C ATOM 540 OD1 ASN A 32 15.319 -3.760 15.806 1.00 0.00 O ATOM 541 ND2 ASN A 32 15.544 -1.833 16.819 1.00 0.00 N ATOM 0 H ASN A 32 14.371 -2.025 12.025 1.00 0.00 H new ATOM 0 HA ASN A 32 13.343 -3.072 14.275 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.756 -2.180 13.668 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.249 -0.745 14.536 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.713 -2.307 17.706 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.549 -0.814 16.776 1.00 0.00 H new ATOM 548 N GLY A 33 12.317 -0.028 13.995 1.00 0.00 N ATOM 549 CA GLY A 33 11.338 0.914 14.513 1.00 0.00 C ATOM 550 C GLY A 33 10.149 0.162 15.115 1.00 0.00 C ATOM 551 O GLY A 33 9.463 0.681 15.996 1.00 0.00 O ATOM 0 H GLY A 33 12.666 0.196 13.063 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.798 1.548 15.271 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.995 1.570 13.713 1.00 0.00 H new ATOM 555 N ILE A 34 9.977 -1.104 14.717 1.00 0.00 N ATOM 556 CA ILE A 34 8.929 -1.945 15.283 1.00 0.00 C ATOM 557 C ILE A 34 9.046 -2.019 16.794 1.00 0.00 C ATOM 558 O ILE A 34 8.049 -2.229 17.478 1.00 0.00 O ATOM 559 CB ILE A 34 8.952 -3.357 14.683 1.00 0.00 C ATOM 560 CG1 ILE A 34 10.349 -3.977 14.849 1.00 0.00 C ATOM 561 CG2 ILE A 34 8.578 -3.309 13.196 1.00 0.00 C ATOM 562 CD1 ILE A 34 10.325 -5.429 14.368 1.00 0.00 C ATOM 0 H ILE A 34 10.550 -1.562 14.008 1.00 0.00 H new ATOM 0 HA ILE A 34 7.975 -1.484 15.028 1.00 0.00 H new ATOM 0 HB ILE A 34 8.223 -3.972 15.211 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.082 -3.406 14.279 1.00 0.00 H new ATOM 0 HG13 ILE A 34 10.655 -3.934 15.894 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.598 -4.318 12.783 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.577 -2.892 13.086 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.293 -2.683 12.661 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.316 -5.868 14.486 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.605 -5.996 14.958 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.038 -5.459 13.317 1.00 0.00 H new ATOM 574 N GLU A 35 10.231 -1.741 17.325 1.00 0.00 N ATOM 575 CA GLU A 35 10.371 -1.700 18.766 1.00 0.00 C ATOM 576 C GLU A 35 9.427 -0.645 19.319 1.00 0.00 C ATOM 577 O GLU A 35 8.726 -0.887 20.303 1.00 0.00 O ATOM 578 CB GLU A 35 11.814 -1.383 19.185 1.00 0.00 C ATOM 579 CG GLU A 35 12.736 -2.564 18.844 1.00 0.00 C ATOM 580 CD GLU A 35 14.176 -2.264 19.235 1.00 0.00 C ATOM 581 OE1 GLU A 35 14.433 -1.198 19.754 1.00 0.00 O ATOM 582 OE2 GLU A 35 15.004 -3.115 19.023 1.00 0.00 O ATOM 0 H GLU A 35 11.081 -1.547 16.795 1.00 0.00 H new ATOM 0 HA GLU A 35 10.121 -2.681 19.169 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.159 -0.483 18.675 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.853 -1.178 20.255 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.393 -3.459 19.364 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.682 -2.775 17.776 1.00 0.00 H new ATOM 589 N LYS A 36 9.330 0.486 18.624 1.00 0.00 N ATOM 590 CA LYS A 36 8.353 1.507 18.990 1.00 0.00 C ATOM 591 C LYS A 36 7.101 1.410 18.113 1.00 0.00 C ATOM 592 O LYS A 36 6.043 1.915 18.476 1.00 0.00 O ATOM 593 CB LYS A 36 8.971 2.899 18.845 1.00 0.00 C ATOM 594 CG LYS A 36 10.067 3.104 19.899 1.00 0.00 C ATOM 595 CD LYS A 36 10.661 4.510 19.743 1.00 0.00 C ATOM 596 CE LYS A 36 11.753 4.738 20.793 1.00 0.00 C ATOM 597 NZ LYS A 36 11.139 4.836 22.147 1.00 0.00 N ATOM 0 H LYS A 36 9.907 0.716 17.815 1.00 0.00 H new ATOM 0 HA LYS A 36 8.064 1.341 20.028 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.391 3.016 17.846 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.200 3.661 18.959 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.653 2.980 20.900 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.847 2.352 19.781 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.077 4.629 18.742 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.877 5.259 19.853 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.471 3.918 20.768 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.303 5.651 20.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.835 5.221 22.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.311 5.464 22.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.842 3.891 22.463 1.00 0.00 H new ATOM 611 N ASN A 37 7.228 0.751 16.970 1.00 0.00 N ATOM 612 CA ASN A 37 6.111 0.590 16.027 1.00 0.00 C ATOM 613 C ASN A 37 5.357 -0.709 16.240 1.00 0.00 C ATOM 614 O ASN A 37 4.647 -1.168 15.355 1.00 0.00 O ATOM 615 CB ASN A 37 6.582 0.708 14.567 1.00 0.00 C ATOM 616 CG ASN A 37 6.264 2.094 14.031 1.00 0.00 C ATOM 617 OD1 ASN A 37 7.150 2.951 13.946 1.00 0.00 O ATOM 618 ND2 ASN A 37 5.052 2.372 13.668 1.00 0.00 N ATOM 0 H ASN A 37 8.097 0.313 16.664 1.00 0.00 H new ATOM 0 HA ASN A 37 5.418 1.406 16.231 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.654 0.522 14.506 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.092 -0.049 13.955 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.827 3.301 13.311 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.323 1.662 13.739 1.00 0.00 H new ATOM 625 N LYS A 38 5.595 -1.349 17.368 1.00 0.00 N ATOM 626 CA LYS A 38 5.009 -2.656 17.646 1.00 0.00 C ATOM 627 C LYS A 38 3.482 -2.579 17.708 1.00 0.00 C ATOM 628 O LYS A 38 2.795 -3.603 17.614 1.00 0.00 O ATOM 629 CB LYS A 38 5.583 -3.228 18.947 1.00 0.00 C ATOM 630 CG LYS A 38 5.723 -4.757 18.836 1.00 0.00 C ATOM 631 CD LYS A 38 7.204 -5.143 18.992 1.00 0.00 C ATOM 632 CE LYS A 38 7.347 -6.670 19.071 1.00 0.00 C ATOM 633 NZ LYS A 38 8.751 -7.022 19.388 1.00 0.00 N ATOM 0 H LYS A 38 6.192 -0.988 18.112 1.00 0.00 H new ATOM 0 HA LYS A 38 5.269 -3.327 16.827 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.555 -2.780 19.153 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.932 -2.974 19.783 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.125 -5.246 19.605 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.345 -5.100 17.873 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.778 -4.760 18.149 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.614 -4.685 19.892 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.680 -7.069 19.835 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.053 -7.122 18.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.846 -8.056 19.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.378 -6.654 18.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.016 -6.603 20.302 1.00 0.00 H new ATOM 647 N TYR A 39 2.958 -1.362 17.784 1.00 0.00 N ATOM 648 CA TYR A 39 1.513 -1.138 17.755 1.00 0.00 C ATOM 649 C TYR A 39 0.997 -1.307 16.329 1.00 0.00 C ATOM 650 O TYR A 39 1.771 -1.648 15.435 1.00 0.00 O ATOM 651 CB TYR A 39 1.154 0.249 18.325 1.00 0.00 C ATOM 652 CG TYR A 39 1.751 1.352 17.477 1.00 0.00 C ATOM 653 CD1 TYR A 39 1.040 1.847 16.389 1.00 0.00 C ATOM 654 CD2 TYR A 39 3.012 1.884 17.786 1.00 0.00 C ATOM 655 CE1 TYR A 39 1.574 2.862 15.602 1.00 0.00 C ATOM 656 CE2 TYR A 39 3.547 2.907 16.994 1.00 0.00 C ATOM 657 CZ TYR A 39 2.822 3.397 15.901 1.00 0.00 C ATOM 658 OH TYR A 39 3.336 4.408 15.110 1.00 0.00 O ATOM 0 H TYR A 39 3.513 -0.510 17.867 1.00 0.00 H new ATOM 0 HA TYR A 39 1.027 -1.879 18.390 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.071 0.361 18.365 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.521 0.332 19.348 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.067 1.441 16.154 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.568 1.506 18.631 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.017 3.236 14.756 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.518 3.318 17.226 1.00 0.00 H new ATOM 0 HH TYR A 39 4.216 4.674 15.450 1.00 0.00 H new ATOM 668 N ASN A 40 -0.305 -1.121 16.105 1.00 0.00 N ATOM 669 CA ASN A 40 -0.836 -1.319 14.752 1.00 0.00 C ATOM 670 C ASN A 40 -0.111 -0.363 13.826 1.00 0.00 C ATOM 671 O ASN A 40 -0.114 0.847 14.063 1.00 0.00 O ATOM 672 CB ASN A 40 -2.348 -1.049 14.701 1.00 0.00 C ATOM 673 CG ASN A 40 -2.985 -1.916 13.622 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.894 -1.595 12.438 1.00 0.00 O ATOM 675 ND2 ASN A 40 -3.618 -3.000 13.957 1.00 0.00 N ATOM 0 H ASN A 40 -0.989 -0.845 16.810 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.678 -2.353 14.446 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.799 -1.265 15.669 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.533 0.005 14.492 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.041 -3.587 13.238 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.692 -3.264 14.939 1.00 0.00 H new ATOM 682 N PRO A 41 0.705 -0.897 12.942 1.00 0.00 N ATOM 683 CA PRO A 41 1.739 -0.076 12.245 1.00 0.00 C ATOM 684 C PRO A 41 1.182 1.192 11.634 1.00 0.00 C ATOM 685 O PRO A 41 0.139 1.184 10.974 1.00 0.00 O ATOM 686 CB PRO A 41 2.265 -1.008 11.143 1.00 0.00 C ATOM 687 CG PRO A 41 1.981 -2.380 11.647 1.00 0.00 C ATOM 688 CD PRO A 41 0.653 -2.272 12.384 1.00 0.00 C ATOM 0 HA PRO A 41 2.505 0.264 12.942 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.763 -0.822 10.193 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.332 -0.860 10.974 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.918 -3.095 10.827 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.772 -2.726 12.312 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.195 -2.406 11.713 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.561 -3.024 13.167 1.00 0.00 H new ATOM 696 N SER A 42 1.923 2.265 11.835 1.00 0.00 N ATOM 697 CA SER A 42 1.595 3.559 11.301 1.00 0.00 C ATOM 698 C SER A 42 1.973 3.629 9.828 1.00 0.00 C ATOM 699 O SER A 42 2.732 2.782 9.333 1.00 0.00 O ATOM 700 CB SER A 42 2.327 4.633 12.114 1.00 0.00 C ATOM 701 OG SER A 42 3.482 4.055 12.741 1.00 0.00 O ATOM 0 H SER A 42 2.783 2.254 12.384 1.00 0.00 H new ATOM 0 HA SER A 42 0.521 3.732 11.375 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.626 5.455 11.464 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.661 5.050 12.869 1.00 0.00 H new ATOM 0 HG SER A 42 3.326 3.977 13.705 1.00 0.00 H new ATOM 707 N LEU A 43 1.441 4.622 9.124 1.00 0.00 N ATOM 708 CA LEU A 43 1.685 4.743 7.696 1.00 0.00 C ATOM 709 C LEU A 43 3.163 4.925 7.435 1.00 0.00 C ATOM 710 O LEU A 43 3.724 4.297 6.545 1.00 0.00 O ATOM 711 CB LEU A 43 0.925 5.951 7.126 1.00 0.00 C ATOM 712 CG LEU A 43 -0.543 5.580 6.853 1.00 0.00 C ATOM 713 CD1 LEU A 43 -1.247 5.220 8.163 1.00 0.00 C ATOM 714 CD2 LEU A 43 -1.258 6.770 6.212 1.00 0.00 C ATOM 0 H LEU A 43 0.843 5.349 9.517 1.00 0.00 H new ATOM 0 HA LEU A 43 1.336 3.832 7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.972 6.783 7.829 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.400 6.285 6.204 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.572 4.722 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.285 4.959 7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.744 4.371 8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.214 6.073 8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.298 6.508 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.219 7.625 6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.767 7.027 5.273 1.00 0.00 H new ATOM 726 N GLN A 44 3.795 5.766 8.240 1.00 0.00 N ATOM 727 CA GLN A 44 5.220 6.043 8.090 1.00 0.00 C ATOM 728 C GLN A 44 6.014 4.755 7.842 1.00 0.00 C ATOM 729 O GLN A 44 6.562 4.558 6.758 1.00 0.00 O ATOM 730 CB GLN A 44 5.774 6.804 9.309 1.00 0.00 C ATOM 731 CG GLN A 44 5.002 6.415 10.585 1.00 0.00 C ATOM 732 CD GLN A 44 5.602 7.116 11.797 1.00 0.00 C ATOM 733 OE1 GLN A 44 4.869 7.533 12.698 1.00 0.00 O ATOM 734 NE2 GLN A 44 6.884 7.264 11.884 1.00 0.00 N ATOM 0 H GLN A 44 3.345 6.270 9.005 1.00 0.00 H new ATOM 0 HA GLN A 44 5.338 6.683 7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.833 6.579 9.435 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.694 7.878 9.142 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.952 6.688 10.481 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.038 5.335 10.726 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.489 6.919 11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.290 7.726 12.698 1.00 0.00 H new ATOM 743 N LEU A 45 6.042 3.874 8.834 1.00 0.00 N ATOM 744 CA LEU A 45 6.735 2.598 8.690 1.00 0.00 C ATOM 745 C LEU A 45 6.067 1.756 7.604 1.00 0.00 C ATOM 746 O LEU A 45 6.738 1.117 6.789 1.00 0.00 O ATOM 747 CB LEU A 45 6.750 1.836 10.028 1.00 0.00 C ATOM 748 CG LEU A 45 7.580 0.542 9.900 1.00 0.00 C ATOM 749 CD1 LEU A 45 8.207 0.192 11.253 1.00 0.00 C ATOM 750 CD2 LEU A 45 6.680 -0.621 9.448 1.00 0.00 C ATOM 0 H LEU A 45 5.597 4.017 9.741 1.00 0.00 H new ATOM 0 HA LEU A 45 7.766 2.794 8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.170 2.469 10.810 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.730 1.594 10.327 1.00 0.00 H new ATOM 0 HG LEU A 45 8.365 0.702 9.161 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.792 -0.723 11.157 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.856 1.006 11.575 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.419 0.043 11.991 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.276 -1.530 9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.889 -0.775 10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.237 -0.384 8.481 1.00 0.00 H new ATOM 762 N ALA A 46 4.739 1.747 7.610 1.00 0.00 N ATOM 763 CA ALA A 46 3.974 0.945 6.665 1.00 0.00 C ATOM 764 C ALA A 46 4.279 1.318 5.224 1.00 0.00 C ATOM 765 O ALA A 46 4.145 0.487 4.327 1.00 0.00 O ATOM 766 CB ALA A 46 2.478 1.075 6.928 1.00 0.00 C ATOM 0 H ALA A 46 4.169 2.288 8.261 1.00 0.00 H new ATOM 0 HA ALA A 46 4.274 -0.092 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.928 0.467 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.255 0.733 7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.180 2.118 6.824 1.00 0.00 H new ATOM 772 N LEU A 47 4.684 2.560 4.994 1.00 0.00 N ATOM 773 CA LEU A 47 4.973 3.001 3.633 1.00 0.00 C ATOM 774 C LEU A 47 6.082 2.174 3.041 1.00 0.00 C ATOM 775 O LEU A 47 5.990 1.738 1.899 1.00 0.00 O ATOM 776 CB LEU A 47 5.369 4.490 3.596 1.00 0.00 C ATOM 777 CG LEU A 47 4.124 5.381 3.690 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.552 6.825 3.942 1.00 0.00 C ATOM 779 CD2 LEU A 47 3.355 5.323 2.366 1.00 0.00 C ATOM 0 H LEU A 47 4.818 3.269 5.715 1.00 0.00 H new ATOM 0 HA LEU A 47 4.064 2.870 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.046 4.713 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.909 4.706 2.674 1.00 0.00 H new ATOM 0 HG LEU A 47 3.491 5.030 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.669 7.460 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.111 6.881 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.182 7.166 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.470 5.956 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.995 5.677 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.052 4.295 2.166 1.00 0.00 H new ATOM 791 N LYS A 48 7.100 1.907 3.829 1.00 0.00 N ATOM 792 CA LYS A 48 8.204 1.097 3.360 1.00 0.00 C ATOM 793 C LYS A 48 7.711 -0.302 3.024 1.00 0.00 C ATOM 794 O LYS A 48 7.968 -0.823 1.935 1.00 0.00 O ATOM 795 CB LYS A 48 9.281 1.014 4.446 1.00 0.00 C ATOM 796 CG LYS A 48 9.869 2.410 4.701 1.00 0.00 C ATOM 797 CD LYS A 48 9.204 3.034 5.940 1.00 0.00 C ATOM 798 CE LYS A 48 9.866 4.381 6.256 1.00 0.00 C ATOM 799 NZ LYS A 48 9.999 5.175 5.009 1.00 0.00 N ATOM 0 H LYS A 48 7.187 2.236 4.791 1.00 0.00 H new ATOM 0 HA LYS A 48 8.627 1.554 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.853 0.616 5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.070 0.328 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.946 2.340 4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.709 3.047 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.138 3.174 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.298 2.362 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.270 4.928 6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.847 4.220 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.070 6.185 5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.855 4.878 4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.165 5.019 4.407 1.00 0.00 H new ATOM 813 N ILE A 49 6.945 -0.877 3.936 1.00 0.00 N ATOM 814 CA ILE A 49 6.390 -2.201 3.723 1.00 0.00 C ATOM 815 C ILE A 49 5.403 -2.186 2.556 1.00 0.00 C ATOM 816 O ILE A 49 5.473 -3.032 1.658 1.00 0.00 O ATOM 817 CB ILE A 49 5.696 -2.690 5.013 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.743 -2.886 6.129 1.00 0.00 C ATOM 819 CG2 ILE A 49 4.981 -4.022 4.752 1.00 0.00 C ATOM 820 CD1 ILE A 49 7.759 -3.968 5.725 1.00 0.00 C ATOM 0 H ILE A 49 6.695 -0.449 4.827 1.00 0.00 H new ATOM 0 HA ILE A 49 7.199 -2.888 3.475 1.00 0.00 H new ATOM 0 HB ILE A 49 4.966 -1.942 5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.260 -1.946 6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.247 -3.172 7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.494 -4.359 5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.232 -3.886 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.708 -4.768 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.491 -4.095 6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.239 -4.911 5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.268 -3.666 4.810 1.00 0.00 H new ATOM 832 N ALA A 50 4.532 -1.182 2.542 1.00 0.00 N ATOM 833 CA ALA A 50 3.547 -1.037 1.477 1.00 0.00 C ATOM 834 C ALA A 50 4.224 -0.757 0.160 1.00 0.00 C ATOM 835 O ALA A 50 3.786 -1.225 -0.886 1.00 0.00 O ATOM 836 CB ALA A 50 2.561 0.088 1.801 1.00 0.00 C ATOM 0 H ALA A 50 4.489 -0.456 3.257 1.00 0.00 H new ATOM 0 HA ALA A 50 2.998 -1.975 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.835 0.179 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.042 -0.140 2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.103 1.027 1.909 1.00 0.00 H new ATOM 842 N TYR A 51 5.277 0.039 0.216 1.00 0.00 N ATOM 843 CA TYR A 51 6.011 0.416 -0.977 1.00 0.00 C ATOM 844 C TYR A 51 6.565 -0.817 -1.661 1.00 0.00 C ATOM 845 O TYR A 51 6.376 -1.012 -2.869 1.00 0.00 O ATOM 846 CB TYR A 51 7.155 1.361 -0.584 1.00 0.00 C ATOM 847 CG TYR A 51 7.999 1.706 -1.780 1.00 0.00 C ATOM 848 CD1 TYR A 51 7.552 2.651 -2.706 1.00 0.00 C ATOM 849 CD2 TYR A 51 9.241 1.088 -1.954 1.00 0.00 C ATOM 850 CE1 TYR A 51 8.347 2.980 -3.802 1.00 0.00 C ATOM 851 CE2 TYR A 51 10.037 1.414 -3.050 1.00 0.00 C ATOM 852 CZ TYR A 51 9.590 2.361 -3.976 1.00 0.00 C ATOM 853 OH TYR A 51 10.386 2.697 -5.056 1.00 0.00 O ATOM 0 H TYR A 51 5.644 0.438 1.080 1.00 0.00 H new ATOM 0 HA TYR A 51 5.341 0.923 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.746 2.272 -0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.774 0.891 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.591 3.126 -2.573 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.584 0.356 -1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.004 3.713 -4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.996 0.937 -3.184 1.00 0.00 H new ATOM 0 HH TYR A 51 11.215 2.175 -5.026 1.00 0.00 H new ATOM 863 N TYR A 52 7.212 -1.673 -0.890 1.00 0.00 N ATOM 864 CA TYR A 52 7.726 -2.920 -1.429 1.00 0.00 C ATOM 865 C TYR A 52 6.600 -3.888 -1.770 1.00 0.00 C ATOM 866 O TYR A 52 6.674 -4.606 -2.769 1.00 0.00 O ATOM 867 CB TYR A 52 8.751 -3.562 -0.494 1.00 0.00 C ATOM 868 CG TYR A 52 10.007 -2.720 -0.496 1.00 0.00 C ATOM 869 CD1 TYR A 52 10.771 -2.612 -1.667 1.00 0.00 C ATOM 870 CD2 TYR A 52 10.400 -2.035 0.661 1.00 0.00 C ATOM 871 CE1 TYR A 52 11.925 -1.823 -1.678 1.00 0.00 C ATOM 872 CE2 TYR A 52 11.554 -1.241 0.647 1.00 0.00 C ATOM 873 CZ TYR A 52 12.317 -1.140 -0.523 1.00 0.00 C ATOM 874 OH TYR A 52 13.454 -0.361 -0.541 1.00 0.00 O ATOM 0 H TYR A 52 7.393 -1.530 0.104 1.00 0.00 H new ATOM 0 HA TYR A 52 8.243 -2.679 -2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.347 -3.635 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.977 -4.577 -0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.468 -3.138 -2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.813 -2.119 1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.514 -1.741 -2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.855 -0.708 1.537 1.00 0.00 H new ATOM 0 HH TYR A 52 13.460 0.227 0.243 1.00 0.00 H new ATOM 884 N LEU A 53 5.570 -3.916 -0.934 1.00 0.00 N ATOM 885 CA LEU A 53 4.433 -4.811 -1.158 1.00 0.00 C ATOM 886 C LEU A 53 3.685 -4.441 -2.430 1.00 0.00 C ATOM 887 O LEU A 53 3.980 -3.429 -3.080 1.00 0.00 O ATOM 888 CB LEU A 53 3.467 -4.802 0.043 1.00 0.00 C ATOM 889 CG LEU A 53 3.449 -6.181 0.726 1.00 0.00 C ATOM 890 CD1 LEU A 53 4.826 -6.499 1.314 1.00 0.00 C ATOM 891 CD2 LEU A 53 2.410 -6.180 1.854 1.00 0.00 C ATOM 0 H LEU A 53 5.495 -3.335 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 53 4.833 -5.819 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.773 -4.039 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.463 -4.541 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 53 3.192 -6.937 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.799 -7.477 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.569 -6.506 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.091 -5.740 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.397 -7.157 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.669 -5.416 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.424 -5.967 1.440 1.00 0.00 H new ATOM 903 N ASN A 54 2.721 -5.269 -2.786 1.00 0.00 N ATOM 904 CA ASN A 54 1.908 -5.046 -3.971 1.00 0.00 C ATOM 905 C ASN A 54 0.811 -4.033 -3.691 1.00 0.00 C ATOM 906 O ASN A 54 0.026 -3.708 -4.582 1.00 0.00 O ATOM 907 CB ASN A 54 1.260 -6.356 -4.430 1.00 0.00 C ATOM 908 CG ASN A 54 0.371 -6.900 -3.319 1.00 0.00 C ATOM 909 OD1 ASN A 54 0.749 -6.853 -2.147 1.00 0.00 O ATOM 910 ND2 ASN A 54 -0.784 -7.406 -3.604 1.00 0.00 N ATOM 0 H ASN A 54 2.479 -6.112 -2.266 1.00 0.00 H new ATOM 0 HA ASN A 54 2.564 -4.664 -4.753 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.671 -6.186 -5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.029 -7.085 -4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.381 -7.766 -2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.098 -7.446 -4.574 1.00 0.00 H new ATOM 917 N THR A 55 0.676 -3.628 -2.439 1.00 0.00 N ATOM 918 CA THR A 55 -0.403 -2.741 -2.057 1.00 0.00 C ATOM 919 C THR A 55 0.131 -1.408 -1.545 1.00 0.00 C ATOM 920 O THR A 55 0.576 -1.312 -0.397 1.00 0.00 O ATOM 921 CB THR A 55 -1.229 -3.409 -0.956 1.00 0.00 C ATOM 922 OG1 THR A 55 -0.368 -3.730 0.129 1.00 0.00 O ATOM 923 CG2 THR A 55 -1.870 -4.690 -1.493 1.00 0.00 C ATOM 0 H THR A 55 1.297 -3.899 -1.677 1.00 0.00 H new ATOM 0 HA THR A 55 -1.019 -2.547 -2.935 1.00 0.00 H new ATOM 0 HB THR A 55 -2.015 -2.731 -0.623 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.255 -2.989 0.283 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.457 -5.161 -0.705 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.520 -4.447 -2.333 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.090 -5.376 -1.824 1.00 0.00 H new ATOM 931 N PRO A 56 -0.074 -0.360 -2.292 1.00 0.00 N ATOM 932 CA PRO A 56 0.206 1.024 -1.810 1.00 0.00 C ATOM 933 C PRO A 56 -0.719 1.384 -0.650 1.00 0.00 C ATOM 934 O PRO A 56 -1.878 0.951 -0.624 1.00 0.00 O ATOM 935 CB PRO A 56 -0.074 1.898 -3.039 1.00 0.00 C ATOM 936 CG PRO A 56 0.118 0.986 -4.204 1.00 0.00 C ATOM 937 CD PRO A 56 -0.370 -0.381 -3.741 1.00 0.00 C ATOM 0 HA PRO A 56 1.220 1.151 -1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.086 2.302 -3.015 1.00 0.00 H new ATOM 0 HB3 PRO A 56 0.608 2.747 -3.084 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.448 1.331 -5.069 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.166 0.947 -4.503 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.434 -0.518 -3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.153 -1.191 -4.249 1.00 0.00 H new ATOM 945 N LEU A 57 -0.245 2.205 0.277 1.00 0.00 N ATOM 946 CA LEU A 57 -1.089 2.597 1.403 1.00 0.00 C ATOM 947 C LEU A 57 -2.311 3.328 0.913 1.00 0.00 C ATOM 948 O LEU A 57 -3.398 3.161 1.458 1.00 0.00 O ATOM 949 CB LEU A 57 -0.348 3.451 2.439 1.00 0.00 C ATOM 950 CG LEU A 57 0.702 2.604 3.165 1.00 0.00 C ATOM 951 CD1 LEU A 57 1.432 3.463 4.193 1.00 0.00 C ATOM 952 CD2 LEU A 57 0.029 1.429 3.880 1.00 0.00 C ATOM 0 H LEU A 57 0.693 2.605 0.277 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.386 1.676 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.132 4.297 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.057 3.861 3.158 1.00 0.00 H new ATOM 0 HG LEU A 57 1.412 2.221 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.178 2.858 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.924 4.295 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.716 3.851 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.785 0.834 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.689 1.808 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.489 0.807 3.150 1.00 0.00 H new ATOM 964 N GLU A 58 -2.126 4.154 -0.097 1.00 0.00 N ATOM 965 CA GLU A 58 -3.221 4.938 -0.660 1.00 0.00 C ATOM 966 C GLU A 58 -4.486 4.082 -0.783 1.00 0.00 C ATOM 967 O GLU A 58 -5.599 4.570 -0.575 1.00 0.00 O ATOM 968 CB GLU A 58 -2.840 5.501 -2.048 1.00 0.00 C ATOM 969 CG GLU A 58 -1.430 5.031 -2.459 1.00 0.00 C ATOM 970 CD GLU A 58 -0.374 5.759 -1.665 1.00 0.00 C ATOM 971 OE1 GLU A 58 -0.178 6.924 -1.911 1.00 0.00 O ATOM 972 OE2 GLU A 58 0.228 5.139 -0.817 1.00 0.00 O ATOM 0 H GLU A 58 -1.225 4.304 -0.551 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.416 5.771 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.568 5.175 -2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.873 6.590 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.338 3.957 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.278 5.208 -3.524 1.00 0.00 H new ATOM 979 N ASP A 59 -4.311 2.806 -1.128 1.00 0.00 N ATOM 980 CA ASP A 59 -5.453 1.904 -1.258 1.00 0.00 C ATOM 981 C ASP A 59 -6.151 1.716 0.086 1.00 0.00 C ATOM 982 O ASP A 59 -7.363 1.925 0.209 1.00 0.00 O ATOM 983 CB ASP A 59 -5.006 0.543 -1.816 1.00 0.00 C ATOM 984 CG ASP A 59 -6.200 -0.373 -1.987 1.00 0.00 C ATOM 985 OD1 ASP A 59 -7.091 -0.022 -2.734 1.00 0.00 O ATOM 986 OD2 ASP A 59 -6.218 -1.411 -1.369 1.00 0.00 O ATOM 0 H ASP A 59 -3.404 2.380 -1.320 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.160 2.354 -1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.505 0.682 -2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.282 0.086 -1.142 1.00 0.00 H new ATOM 991 N ILE A 60 -5.377 1.370 1.107 1.00 0.00 N ATOM 992 CA ILE A 60 -5.913 1.240 2.462 1.00 0.00 C ATOM 993 C ILE A 60 -6.228 2.606 3.076 1.00 0.00 C ATOM 994 O ILE A 60 -7.215 2.764 3.802 1.00 0.00 O ATOM 995 CB ILE A 60 -4.974 0.408 3.372 1.00 0.00 C ATOM 996 CG1 ILE A 60 -5.497 0.407 4.817 1.00 0.00 C ATOM 997 CG2 ILE A 60 -3.540 0.945 3.335 1.00 0.00 C ATOM 998 CD1 ILE A 60 -4.506 -0.329 5.716 1.00 0.00 C ATOM 0 H ILE A 60 -4.379 1.174 1.026 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.854 0.694 2.386 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.963 -0.614 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.632 1.430 5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.473 -0.076 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.908 0.339 3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.161 0.900 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.530 1.979 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.876 -0.330 6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.394 -1.356 5.369 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.539 0.173 5.680 1.00 0.00 H new ATOM 1010 N PHE A 61 -5.343 3.560 2.848 1.00 0.00 N ATOM 1011 CA PHE A 61 -5.462 4.885 3.438 1.00 0.00 C ATOM 1012 C PHE A 61 -6.617 5.660 2.833 1.00 0.00 C ATOM 1013 O PHE A 61 -6.697 5.831 1.615 1.00 0.00 O ATOM 1014 CB PHE A 61 -4.150 5.671 3.287 1.00 0.00 C ATOM 1015 CG PHE A 61 -4.338 7.089 3.791 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -4.511 7.331 5.160 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -4.340 8.159 2.890 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -4.690 8.638 5.623 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -4.517 9.464 3.353 1.00 0.00 C ATOM 1020 CZ PHE A 61 -4.689 9.706 4.721 1.00 0.00 C ATOM 0 H PHE A 61 -4.524 3.441 2.252 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.667 4.753 4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.355 5.179 3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.842 5.685 2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.506 6.507 5.858 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.204 7.975 1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.829 8.823 6.678 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.521 10.288 2.655 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.821 10.716 5.079 1.00 0.00 H new