USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 664 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 8 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 ASN : amide:sc= -0.0984 K(o=-0.083,f=-1.6!) USER MOD Set 1.3: A 92 THR OG1 : rot 123:sc= 0.015 USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.464 F(o=-1.8,f=-0.46) USER MOD Single : A 10 GLN : amide:sc= -4.4! C(o=-4.4!,f=-14!) USER MOD Single : A 15 CYS SG : rot -94:sc= -3.59 USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0374) USER MOD Single : A 22 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.7) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 25:sc= 0.116 USER MOD Single : A 36 ASN : amide:sc= -0.248 K(o=-0.25,f=-7!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0361 F(o=-0.81,f=-0.036) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0114) USER MOD Single : A 46 THR OG1 : rot 99:sc= 0.25 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= -0.0588 (180deg=-0.307) USER MOD Single : A 59 GLN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : A 62 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.67) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.14 USER MOD Single : A 83 MET CE :methyl -155:sc= -6.07! (180deg=-9.32!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.0682 X(o=-0.068,f=-0.22) USER MOD Single : A 97 SER OG : rot 180:sc= -0.0732 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.117 13.711 -4.799 1.00 0.00 N ATOM 78 CA HIS A 6 -4.747 12.432 -5.132 1.00 0.00 C ATOM 79 C HIS A 6 -3.747 11.281 -5.011 1.00 0.00 C ATOM 80 O HIS A 6 -2.883 11.111 -5.874 1.00 0.00 O ATOM 81 CB HIS A 6 -5.318 12.470 -6.556 1.00 0.00 C ATOM 82 CG HIS A 6 -6.792 12.732 -6.619 1.00 0.00 C ATOM 83 ND1 HIS A 6 -7.806 12.308 -5.825 1.00 0.00 N flip ATOM 84 CD2 HIS A 6 -7.375 13.512 -7.595 1.00 0.00 C flip ATOM 85 CE1 HIS A 6 -8.968 12.832 -6.334 1.00 0.00 C flip ATOM 86 NE2 HIS A 6 -8.682 13.556 -7.402 1.00 0.00 N flip ATOM 0 HA HIS A 6 -5.559 12.266 -4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.798 13.242 -7.123 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.108 11.519 -7.045 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.846 14.010 -8.394 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.957 12.678 -5.927 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.354 14.062 -7.978 1.00 0.00 H new ATOM 95 N ILE A 7 -3.867 10.493 -3.941 1.00 0.00 N ATOM 96 CA ILE A 7 -2.969 9.360 -3.724 1.00 0.00 C ATOM 97 C ILE A 7 -3.511 8.093 -4.387 1.00 0.00 C ATOM 98 O ILE A 7 -4.583 7.604 -4.032 1.00 0.00 O ATOM 99 CB ILE A 7 -2.728 9.092 -2.221 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.279 10.377 -1.516 1.00 0.00 C ATOM 101 CG2 ILE A 7 -1.690 7.990 -2.037 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.919 10.187 -0.057 1.00 0.00 C ATOM 0 H ILE A 7 -4.573 10.618 -3.216 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.016 9.626 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.664 8.761 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.416 10.785 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.076 11.117 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.532 7.813 -0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.045 7.073 -2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.750 8.295 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.612 11.142 0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.786 9.809 0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.100 9.473 0.026 1.00 0.00 H new ATOM 114 N THR A 8 -2.759 7.573 -5.357 1.00 0.00 N ATOM 115 CA THR A 8 -3.149 6.365 -6.089 1.00 0.00 C ATOM 116 C THR A 8 -2.781 5.099 -5.312 1.00 0.00 C ATOM 117 O THR A 8 -1.602 4.788 -5.143 1.00 0.00 O ATOM 118 CB THR A 8 -2.471 6.345 -7.462 1.00 0.00 C ATOM 119 OG1 THR A 8 -2.737 7.542 -8.173 1.00 0.00 O ATOM 120 CG2 THR A 8 -2.908 5.187 -8.335 1.00 0.00 C ATOM 0 H THR A 8 -1.869 7.972 -5.657 1.00 0.00 H new ATOM 0 HA THR A 8 -4.232 6.383 -6.215 1.00 0.00 H new ATOM 0 HB THR A 8 -1.407 6.237 -7.252 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.293 7.509 -9.046 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.388 5.236 -9.292 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.668 4.247 -7.839 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.983 5.244 -8.503 1.00 0.00 H new ATOM 128 N VAL A 9 -3.796 4.370 -4.849 1.00 0.00 N ATOM 129 CA VAL A 9 -3.576 3.134 -4.099 1.00 0.00 C ATOM 130 C VAL A 9 -4.614 2.072 -4.469 1.00 0.00 C ATOM 131 O VAL A 9 -5.778 2.161 -4.076 1.00 0.00 O ATOM 132 CB VAL A 9 -3.600 3.392 -2.573 1.00 0.00 C ATOM 133 CG1 VAL A 9 -4.933 3.987 -2.139 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.291 2.116 -1.798 1.00 0.00 C ATOM 0 H VAL A 9 -4.778 4.614 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.588 2.762 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.821 4.119 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.922 4.158 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.094 4.933 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.738 3.296 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.314 2.325 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.036 1.357 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.301 1.753 -2.075 1.00 0.00 H new ATOM 144 N GLN A 10 -4.186 1.071 -5.237 1.00 0.00 N ATOM 145 CA GLN A 10 -5.080 -0.002 -5.669 1.00 0.00 C ATOM 146 C GLN A 10 -4.478 -1.382 -5.409 1.00 0.00 C ATOM 147 O GLN A 10 -3.310 -1.503 -5.031 1.00 0.00 O ATOM 148 CB GLN A 10 -5.414 0.149 -7.156 1.00 0.00 C ATOM 149 CG GLN A 10 -4.208 0.433 -8.035 1.00 0.00 C ATOM 150 CD GLN A 10 -3.989 1.914 -8.260 1.00 0.00 C ATOM 151 OE1 GLN A 10 -3.401 2.597 -7.423 1.00 0.00 O ATOM 152 NE2 GLN A 10 -4.466 2.418 -9.393 1.00 0.00 N ATOM 0 H GLN A 10 -3.227 0.981 -5.572 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.995 0.080 -5.082 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.897 -0.764 -7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.136 0.957 -7.275 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.318 0.003 -7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.340 -0.062 -8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.947 1.812 -10.058 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.351 3.411 -9.598 1.00 0.00 H new ATOM 161 N PHE A 11 -5.294 -2.419 -5.611 1.00 0.00 N ATOM 162 CA PHE A 11 -4.864 -3.798 -5.400 1.00 0.00 C ATOM 163 C PHE A 11 -5.178 -4.667 -6.618 1.00 0.00 C ATOM 164 O PHE A 11 -6.131 -4.400 -7.352 1.00 0.00 O ATOM 165 CB PHE A 11 -5.552 -4.378 -4.163 1.00 0.00 C ATOM 166 CG PHE A 11 -5.275 -3.606 -2.904 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.128 -3.845 -2.165 1.00 0.00 C ATOM 168 CD2 PHE A 11 -6.163 -2.638 -2.463 1.00 0.00 C ATOM 169 CE1 PHE A 11 -3.870 -3.132 -1.011 1.00 0.00 C ATOM 170 CE2 PHE A 11 -5.911 -1.922 -1.308 1.00 0.00 C ATOM 171 CZ PHE A 11 -4.764 -2.168 -0.582 1.00 0.00 C ATOM 0 H PHE A 11 -6.261 -2.326 -5.922 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.784 -3.795 -5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.628 -4.404 -4.334 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.226 -5.409 -4.026 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.427 -4.598 -2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.062 -2.441 -3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.971 -3.327 -0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.611 -1.171 -0.974 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.565 -1.609 0.320 1.00 0.00 H new ATOM 181 N ALA A 12 -4.371 -5.707 -6.822 1.00 0.00 N ATOM 182 CA ALA A 12 -4.562 -6.621 -7.948 1.00 0.00 C ATOM 183 C ALA A 12 -4.105 -8.037 -7.606 1.00 0.00 C ATOM 184 O ALA A 12 -2.999 -8.239 -7.097 1.00 0.00 O ATOM 185 CB ALA A 12 -3.818 -6.113 -9.176 1.00 0.00 C ATOM 0 H ALA A 12 -3.579 -5.938 -6.223 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.629 -6.657 -8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.970 -6.804 -10.005 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.197 -5.129 -9.450 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.753 -6.042 -8.953 1.00 0.00 H new ATOM 191 N GLY A 13 -4.964 -9.016 -7.893 1.00 0.00 N ATOM 192 CA GLY A 13 -4.640 -10.405 -7.615 1.00 0.00 C ATOM 193 C GLY A 13 -5.223 -10.879 -6.298 1.00 0.00 C ATOM 194 O GLY A 13 -6.436 -11.066 -6.184 1.00 0.00 O ATOM 0 H GLY A 13 -5.881 -8.869 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.016 -11.032 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.557 -10.526 -7.595 1.00 0.00 H new ATOM 198 N GLY A 14 -4.362 -11.065 -5.301 1.00 0.00 N ATOM 199 CA GLY A 14 -4.815 -11.509 -3.992 1.00 0.00 C ATOM 200 C GLY A 14 -4.494 -10.506 -2.896 1.00 0.00 C ATOM 201 O GLY A 14 -4.271 -10.889 -1.745 1.00 0.00 O ATOM 0 H GLY A 14 -3.356 -10.916 -5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.891 -11.679 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.348 -12.465 -3.754 1.00 0.00 H new ATOM 205 N CYS A 15 -4.473 -9.218 -3.252 1.00 0.00 N ATOM 206 CA CYS A 15 -4.180 -8.156 -2.289 1.00 0.00 C ATOM 207 C CYS A 15 -5.430 -7.337 -1.960 1.00 0.00 C ATOM 208 O CYS A 15 -5.565 -6.826 -0.847 1.00 0.00 O ATOM 209 CB CYS A 15 -3.081 -7.234 -2.822 1.00 0.00 C ATOM 210 SG CYS A 15 -1.947 -6.630 -1.550 1.00 0.00 S ATOM 0 H CYS A 15 -4.655 -8.887 -4.200 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.834 -8.633 -1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.509 -7.768 -3.580 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.545 -6.380 -3.316 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.350 -5.469 -1.125 1.00 0.00 H new ATOM 216 N GLU A 16 -6.337 -7.208 -2.928 1.00 0.00 N ATOM 217 CA GLU A 16 -7.570 -6.446 -2.733 1.00 0.00 C ATOM 218 C GLU A 16 -8.451 -7.084 -1.654 1.00 0.00 C ATOM 219 O GLU A 16 -9.181 -6.387 -0.949 1.00 0.00 O ATOM 220 CB GLU A 16 -8.337 -6.332 -4.055 1.00 0.00 C ATOM 221 CG GLU A 16 -8.781 -7.672 -4.626 1.00 0.00 C ATOM 222 CD GLU A 16 -7.894 -8.150 -5.763 1.00 0.00 C ATOM 223 OE1 GLU A 16 -6.653 -8.091 -5.620 1.00 0.00 O ATOM 224 OE2 GLU A 16 -8.438 -8.592 -6.797 1.00 0.00 O ATOM 0 H GLU A 16 -6.241 -7.622 -3.855 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.301 -5.445 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.215 -5.704 -3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.707 -5.826 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.780 -8.419 -3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.808 -7.588 -4.983 1.00 0.00 H new ATOM 231 N LEU A 17 -8.373 -8.411 -1.527 1.00 0.00 N ATOM 232 CA LEU A 17 -9.159 -9.136 -0.530 1.00 0.00 C ATOM 233 C LEU A 17 -8.643 -8.885 0.893 1.00 0.00 C ATOM 234 O LEU A 17 -9.278 -9.299 1.863 1.00 0.00 O ATOM 235 CB LEU A 17 -9.141 -10.637 -0.827 1.00 0.00 C ATOM 236 CG LEU A 17 -9.950 -11.067 -2.054 1.00 0.00 C ATOM 237 CD1 LEU A 17 -9.024 -11.466 -3.195 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.893 -12.211 -1.697 1.00 0.00 C ATOM 0 H LEU A 17 -7.774 -9.003 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.182 -8.765 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.107 -10.952 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.523 -11.169 0.045 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.550 -10.220 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.618 -11.768 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.395 -10.618 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.394 -12.298 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.460 -12.504 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.314 -13.062 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.580 -11.886 -0.916 1.00 0.00 H new ATOM 250 N LEU A 18 -7.496 -8.207 1.022 1.00 0.00 N ATOM 251 CA LEU A 18 -6.921 -7.917 2.339 1.00 0.00 C ATOM 252 C LEU A 18 -7.505 -6.633 2.950 1.00 0.00 C ATOM 253 O LEU A 18 -6.966 -6.107 3.925 1.00 0.00 O ATOM 254 CB LEU A 18 -5.393 -7.798 2.243 1.00 0.00 C ATOM 255 CG LEU A 18 -4.701 -8.837 1.353 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.214 -8.537 1.245 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.924 -10.243 1.891 1.00 0.00 C ATOM 0 H LEU A 18 -6.952 -7.852 0.236 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.180 -8.749 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.147 -6.804 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.977 -7.872 3.248 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.140 -8.781 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.737 -9.284 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.073 -7.547 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.764 -8.565 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.424 -10.964 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.515 -10.316 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.992 -10.458 1.916 1.00 0.00 H new ATOM 269 N PHE A 19 -8.607 -6.132 2.381 1.00 0.00 N ATOM 270 CA PHE A 19 -9.251 -4.918 2.877 1.00 0.00 C ATOM 271 C PHE A 19 -10.759 -5.005 2.683 1.00 0.00 C ATOM 272 O PHE A 19 -11.520 -4.987 3.651 1.00 0.00 O ATOM 273 CB PHE A 19 -8.687 -3.692 2.147 1.00 0.00 C ATOM 274 CG PHE A 19 -9.110 -2.375 2.740 1.00 0.00 C ATOM 275 CD1 PHE A 19 -10.282 -1.757 2.329 1.00 0.00 C ATOM 276 CD2 PHE A 19 -8.328 -1.749 3.698 1.00 0.00 C ATOM 277 CE1 PHE A 19 -10.666 -0.543 2.867 1.00 0.00 C ATOM 278 CE2 PHE A 19 -8.708 -0.535 4.237 1.00 0.00 C ATOM 279 CZ PHE A 19 -9.877 0.071 3.821 1.00 0.00 C ATOM 0 H PHE A 19 -9.070 -6.552 1.575 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.045 -4.817 3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.598 -3.748 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.002 -3.727 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.901 -2.229 1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.411 -2.216 4.027 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.583 -0.074 2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.090 -0.059 4.984 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.174 1.021 4.240 1.00 0.00 H new ATOM 289 N ALA A 20 -11.180 -5.110 1.424 1.00 0.00 N ATOM 290 CA ALA A 20 -12.597 -5.214 1.089 1.00 0.00 C ATOM 291 C ALA A 20 -12.794 -5.389 -0.418 1.00 0.00 C ATOM 292 O ALA A 20 -13.744 -4.852 -0.993 1.00 0.00 O ATOM 293 CB ALA A 20 -13.350 -3.990 1.595 1.00 0.00 C ATOM 0 H ALA A 20 -10.556 -5.125 0.617 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.001 -6.098 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.406 -4.080 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.244 -3.920 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.940 -3.093 1.131 1.00 0.00 H new ATOM 299 N LYS A 21 -11.888 -6.141 -1.054 1.00 0.00 N ATOM 300 CA LYS A 21 -11.953 -6.385 -2.498 1.00 0.00 C ATOM 301 C LYS A 21 -12.101 -5.070 -3.271 1.00 0.00 C ATOM 302 O LYS A 21 -12.756 -5.019 -4.314 1.00 0.00 O ATOM 303 CB LYS A 21 -13.113 -7.330 -2.828 1.00 0.00 C ATOM 304 CG LYS A 21 -13.151 -8.577 -1.955 1.00 0.00 C ATOM 305 CD LYS A 21 -14.087 -8.397 -0.769 1.00 0.00 C ATOM 306 CE LYS A 21 -14.555 -9.737 -0.219 1.00 0.00 C ATOM 307 NZ LYS A 21 -15.390 -9.576 1.005 1.00 0.00 N ATOM 0 H LYS A 21 -11.100 -6.592 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.019 -6.856 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.053 -6.790 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.040 -7.631 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.476 -9.430 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.147 -8.803 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.578 -7.838 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.951 -7.805 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.128 -10.262 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.689 -10.357 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.561 -10.508 1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.893 -8.967 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.299 -9.140 0.750 1.00 0.00 H new ATOM 321 N GLN A 22 -11.485 -4.004 -2.748 1.00 0.00 N ATOM 322 CA GLN A 22 -11.550 -2.691 -3.381 1.00 0.00 C ATOM 323 C GLN A 22 -10.578 -2.605 -4.552 1.00 0.00 C ATOM 324 O GLN A 22 -9.493 -3.185 -4.515 1.00 0.00 O ATOM 325 CB GLN A 22 -11.241 -1.586 -2.362 1.00 0.00 C ATOM 326 CG GLN A 22 -12.474 -0.829 -1.893 1.00 0.00 C ATOM 327 CD GLN A 22 -12.819 0.343 -2.791 1.00 0.00 C ATOM 328 OE1 GLN A 22 -12.541 1.496 -2.462 1.00 0.00 O ATOM 329 NE2 GLN A 22 -13.433 0.057 -3.935 1.00 0.00 N ATOM 0 H GLN A 22 -10.937 -4.029 -1.888 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.563 -2.550 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.746 -2.028 -1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.538 -0.880 -2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.322 -1.513 -1.854 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.309 -0.467 -0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.646 -0.912 -4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.691 0.807 -4.577 1.00 0.00 H new ATOM 338 N THR A 23 -10.976 -1.873 -5.590 1.00 0.00 N ATOM 339 CA THR A 23 -10.138 -1.707 -6.774 1.00 0.00 C ATOM 340 C THR A 23 -9.036 -0.682 -6.520 1.00 0.00 C ATOM 341 O THR A 23 -7.860 -1.036 -6.449 1.00 0.00 O ATOM 342 CB THR A 23 -10.989 -1.291 -7.980 1.00 0.00 C ATOM 343 OG1 THR A 23 -11.766 -0.144 -7.678 1.00 0.00 O ATOM 344 CG2 THR A 23 -11.939 -2.375 -8.446 1.00 0.00 C ATOM 0 H THR A 23 -11.871 -1.387 -5.635 1.00 0.00 H new ATOM 0 HA THR A 23 -9.668 -2.665 -6.995 1.00 0.00 H new ATOM 0 HB THR A 23 -10.274 -1.086 -8.777 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.300 0.105 -8.461 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.510 -2.015 -9.302 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.369 -3.258 -8.736 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.622 -2.633 -7.636 1.00 0.00 H new ATOM 352 N SER A 24 -9.424 0.586 -6.378 1.00 0.00 N ATOM 353 CA SER A 24 -8.463 1.661 -6.130 1.00 0.00 C ATOM 354 C SER A 24 -8.979 2.638 -5.075 1.00 0.00 C ATOM 355 O SER A 24 -10.170 2.649 -4.752 1.00 0.00 O ATOM 356 CB SER A 24 -8.162 2.412 -7.430 1.00 0.00 C ATOM 357 OG SER A 24 -9.319 3.072 -7.917 1.00 0.00 O ATOM 0 H SER A 24 -10.395 0.893 -6.430 1.00 0.00 H new ATOM 0 HA SER A 24 -7.546 1.207 -5.753 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.369 3.140 -7.258 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.795 1.713 -8.181 1.00 0.00 H new ATOM 0 HG SER A 24 -9.101 3.546 -8.747 1.00 0.00 H new ATOM 363 N LEU A 25 -8.071 3.460 -4.543 1.00 0.00 N ATOM 364 CA LEU A 25 -8.428 4.449 -3.524 1.00 0.00 C ATOM 365 C LEU A 25 -7.706 5.778 -3.767 1.00 0.00 C ATOM 366 O LEU A 25 -6.650 5.810 -4.399 1.00 0.00 O ATOM 367 CB LEU A 25 -8.083 3.919 -2.129 1.00 0.00 C ATOM 368 CG LEU A 25 -9.283 3.613 -1.228 1.00 0.00 C ATOM 369 CD1 LEU A 25 -9.693 2.154 -1.364 1.00 0.00 C ATOM 370 CD2 LEU A 25 -8.961 3.948 0.222 1.00 0.00 C ATOM 0 H LEU A 25 -7.084 3.460 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.502 4.625 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.492 3.010 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.450 4.651 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.120 4.235 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.547 1.954 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.966 1.948 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.860 1.513 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.825 3.724 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.110 3.353 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.717 5.007 0.305 1.00 0.00 H new ATOM 382 N GLN A 26 -8.287 6.869 -3.262 1.00 0.00 N ATOM 383 CA GLN A 26 -7.701 8.199 -3.419 1.00 0.00 C ATOM 384 C GLN A 26 -7.700 8.957 -2.094 1.00 0.00 C ATOM 385 O GLN A 26 -8.759 9.249 -1.534 1.00 0.00 O ATOM 386 CB GLN A 26 -8.470 8.993 -4.479 1.00 0.00 C ATOM 387 CG GLN A 26 -7.886 8.862 -5.879 1.00 0.00 C ATOM 388 CD GLN A 26 -8.859 8.238 -6.860 1.00 0.00 C ATOM 389 OE1 GLN A 26 -9.024 7.018 -6.896 1.00 0.00 O ATOM 390 NE2 GLN A 26 -9.513 9.072 -7.661 1.00 0.00 N ATOM 0 H GLN A 26 -9.164 6.856 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.667 8.078 -3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.506 8.656 -4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.481 10.045 -4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.593 9.848 -6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.981 8.257 -5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.346 10.076 -7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.182 8.708 -8.339 1.00 0.00 H new ATOM 399 N LEU A 27 -6.505 9.277 -1.598 1.00 0.00 N ATOM 400 CA LEU A 27 -6.372 10.006 -0.342 1.00 0.00 C ATOM 401 C LEU A 27 -6.025 11.468 -0.605 1.00 0.00 C ATOM 402 O LEU A 27 -5.150 11.772 -1.416 1.00 0.00 O ATOM 403 CB LEU A 27 -5.304 9.362 0.547 1.00 0.00 C ATOM 404 CG LEU A 27 -5.500 7.867 0.821 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.177 7.204 1.175 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.517 7.657 1.935 1.00 0.00 C ATOM 0 H LEU A 27 -5.619 9.043 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.329 9.962 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.330 9.505 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.280 9.890 1.500 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.881 7.402 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.341 6.143 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.479 7.320 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.762 7.673 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.643 6.590 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.164 8.140 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.473 8.091 1.642 1.00 0.00 H new ATOM 504 N THR A 35 5.492 10.981 6.237 1.00 0.00 N ATOM 505 CA THR A 35 4.989 9.609 6.220 1.00 0.00 C ATOM 506 C THR A 35 5.614 8.822 5.070 1.00 0.00 C ATOM 507 O THR A 35 5.635 9.289 3.933 1.00 0.00 O ATOM 508 CB THR A 35 3.461 9.616 6.085 1.00 0.00 C ATOM 509 OG1 THR A 35 2.867 10.397 7.110 1.00 0.00 O ATOM 510 CG2 THR A 35 2.839 8.237 6.142 1.00 0.00 C ATOM 0 HA THR A 35 5.263 9.125 7.157 1.00 0.00 H new ATOM 0 HB THR A 35 3.267 10.040 5.100 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.509 11.068 7.424 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.757 8.321 6.040 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.233 7.626 5.330 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.078 7.769 7.097 1.00 0.00 H new ATOM 518 N ASN A 36 6.122 7.627 5.372 1.00 0.00 N ATOM 519 CA ASN A 36 6.749 6.777 4.357 1.00 0.00 C ATOM 520 C ASN A 36 5.863 5.575 4.031 1.00 0.00 C ATOM 521 O ASN A 36 4.759 5.445 4.562 1.00 0.00 O ATOM 522 CB ASN A 36 8.136 6.309 4.825 1.00 0.00 C ATOM 523 CG ASN A 36 8.121 5.696 6.215 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.295 4.833 6.517 1.00 0.00 O ATOM 525 ND2 ASN A 36 9.038 6.137 7.070 1.00 0.00 N ATOM 0 H ASN A 36 6.112 7.225 6.309 1.00 0.00 H new ATOM 0 HA ASN A 36 6.871 7.368 3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.524 5.578 4.116 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.821 7.157 4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.076 5.759 8.017 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.704 6.853 6.779 1.00 0.00 H new ATOM 532 N LEU A 37 6.350 4.701 3.147 1.00 0.00 N ATOM 533 CA LEU A 37 5.596 3.514 2.747 1.00 0.00 C ATOM 534 C LEU A 37 5.223 2.661 3.954 1.00 0.00 C ATOM 535 O LEU A 37 4.081 2.217 4.071 1.00 0.00 O ATOM 536 CB LEU A 37 6.402 2.679 1.750 1.00 0.00 C ATOM 537 CG LEU A 37 5.609 1.590 1.028 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.108 1.431 -0.401 1.00 0.00 C ATOM 539 CD2 LEU A 37 5.697 0.270 1.785 1.00 0.00 C ATOM 0 H LEU A 37 7.260 4.794 2.697 1.00 0.00 H new ATOM 0 HA LEU A 37 4.676 3.852 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.834 3.347 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.233 2.212 2.279 1.00 0.00 H new ATOM 0 HG LEU A 37 4.561 1.889 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.534 0.652 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.986 2.373 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.162 1.154 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.126 -0.492 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.739 -0.041 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.289 0.398 2.787 1.00 0.00 H new ATOM 551 N ASN A 38 6.183 2.448 4.853 1.00 0.00 N ATOM 552 CA ASN A 38 5.933 1.661 6.055 1.00 0.00 C ATOM 553 C ASN A 38 4.760 2.257 6.830 1.00 0.00 C ATOM 554 O ASN A 38 3.929 1.532 7.376 1.00 0.00 O ATOM 555 CB ASN A 38 7.180 1.612 6.945 1.00 0.00 C ATOM 556 CG ASN A 38 6.993 0.715 8.153 1.00 0.00 C ATOM 557 OD1 ASN A 38 7.134 -0.592 7.954 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 6.721 1.190 9.256 1.00 0.00 N flip ATOM 0 H ASN A 38 7.134 2.807 4.771 1.00 0.00 H new ATOM 0 HA ASN A 38 5.687 0.642 5.756 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.027 1.256 6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.425 2.620 7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.621 2.199 9.366 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.595 0.574 10.059 1.00 0.00 H new ATOM 565 N GLY A 39 4.696 3.589 6.844 1.00 0.00 N ATOM 566 CA GLY A 39 3.618 4.275 7.522 1.00 0.00 C ATOM 567 C GLY A 39 2.310 4.190 6.752 1.00 0.00 C ATOM 568 O GLY A 39 1.236 4.173 7.352 1.00 0.00 O ATOM 0 H GLY A 39 5.376 4.202 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.482 3.844 8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.887 5.322 7.663 1.00 0.00 H new ATOM 572 N LEU A 40 2.399 4.129 5.417 1.00 0.00 N ATOM 573 CA LEU A 40 1.211 4.036 4.575 1.00 0.00 C ATOM 574 C LEU A 40 0.480 2.720 4.823 1.00 0.00 C ATOM 575 O LEU A 40 -0.729 2.706 5.068 1.00 0.00 O ATOM 576 CB LEU A 40 1.587 4.156 3.092 1.00 0.00 C ATOM 577 CG LEU A 40 1.926 5.570 2.612 1.00 0.00 C ATOM 578 CD1 LEU A 40 2.600 5.525 1.247 1.00 0.00 C ATOM 579 CD2 LEU A 40 0.671 6.431 2.566 1.00 0.00 C ATOM 0 H LEU A 40 3.280 4.143 4.903 1.00 0.00 H new ATOM 0 HA LEU A 40 0.547 4.861 4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.443 3.510 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.759 3.776 2.493 1.00 0.00 H new ATOM 0 HG LEU A 40 2.623 6.018 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.833 6.539 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.520 4.945 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.929 5.059 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.929 7.433 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.050 5.987 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.234 6.490 3.563 1.00 0.00 H new ATOM 591 N VAL A 41 1.223 1.616 4.764 1.00 0.00 N ATOM 592 CA VAL A 41 0.642 0.294 4.987 1.00 0.00 C ATOM 593 C VAL A 41 0.130 0.149 6.417 1.00 0.00 C ATOM 594 O VAL A 41 -1.039 -0.164 6.630 1.00 0.00 O ATOM 595 CB VAL A 41 1.632 -0.858 4.685 1.00 0.00 C ATOM 596 CG1 VAL A 41 1.523 -1.276 3.229 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.070 -0.486 5.031 1.00 0.00 C ATOM 0 H VAL A 41 2.223 1.611 4.565 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.190 0.216 4.287 1.00 0.00 H new ATOM 0 HB VAL A 41 1.358 -1.701 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.224 -2.086 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.508 -1.615 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.759 -0.427 2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.728 -1.325 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.372 0.382 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.139 -0.250 6.093 1.00 0.00 H new ATOM 607 N GLN A 42 1.005 0.386 7.390 1.00 0.00 N ATOM 608 CA GLN A 42 0.641 0.286 8.805 1.00 0.00 C ATOM 609 C GLN A 42 -0.607 1.117 9.137 1.00 0.00 C ATOM 610 O GLN A 42 -1.288 0.844 10.123 1.00 0.00 O ATOM 611 CB GLN A 42 1.811 0.732 9.683 1.00 0.00 C ATOM 612 CG GLN A 42 1.842 0.056 11.045 1.00 0.00 C ATOM 613 CD GLN A 42 1.891 1.049 12.190 1.00 0.00 C ATOM 614 OE1 GLN A 42 2.966 1.412 12.666 1.00 0.00 O ATOM 615 NE2 GLN A 42 0.723 1.498 12.638 1.00 0.00 N ATOM 0 H GLN A 42 1.976 0.650 7.226 1.00 0.00 H new ATOM 0 HA GLN A 42 0.408 -0.759 9.009 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.745 0.524 9.162 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.758 1.812 9.824 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.959 -0.574 11.153 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.711 -0.600 11.101 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.145 1.171 12.215 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.695 2.170 13.405 1.00 0.00 H new ATOM 624 N LEU A 43 -0.896 2.131 8.318 1.00 0.00 N ATOM 625 CA LEU A 43 -2.057 2.990 8.543 1.00 0.00 C ATOM 626 C LEU A 43 -3.328 2.418 7.903 1.00 0.00 C ATOM 627 O LEU A 43 -4.433 2.710 8.357 1.00 0.00 O ATOM 628 CB LEU A 43 -1.788 4.396 7.998 1.00 0.00 C ATOM 629 CG LEU A 43 -2.717 5.490 8.531 1.00 0.00 C ATOM 630 CD1 LEU A 43 -1.936 6.769 8.800 1.00 0.00 C ATOM 631 CD2 LEU A 43 -3.853 5.753 7.552 1.00 0.00 C ATOM 0 H LEU A 43 -0.343 2.375 7.496 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.221 3.040 9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.759 4.669 8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.870 4.369 6.911 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.148 5.146 9.471 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.612 7.536 9.178 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.160 6.573 9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.476 7.116 7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.502 6.534 7.949 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.442 6.075 6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.430 4.839 7.410 1.00 0.00 H new ATOM 643 N LEU A 44 -3.174 1.615 6.846 1.00 0.00 N ATOM 644 CA LEU A 44 -4.329 1.029 6.159 1.00 0.00 C ATOM 645 C LEU A 44 -4.683 -0.360 6.701 1.00 0.00 C ATOM 646 O LEU A 44 -5.858 -0.654 6.931 1.00 0.00 O ATOM 647 CB LEU A 44 -4.089 0.968 4.640 1.00 0.00 C ATOM 648 CG LEU A 44 -3.085 -0.087 4.158 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.774 -1.427 3.929 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.396 0.382 2.883 1.00 0.00 C ATOM 0 H LEU A 44 -2.270 1.358 6.450 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.180 1.681 6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.044 0.782 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.744 1.947 4.307 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.331 -0.221 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.042 -2.159 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.222 -1.770 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.551 -1.312 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.686 -0.377 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.142 0.544 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.866 1.314 3.078 1.00 0.00 H new ATOM 662 N LYS A 45 -3.677 -1.217 6.893 1.00 0.00 N ATOM 663 CA LYS A 45 -3.924 -2.570 7.395 1.00 0.00 C ATOM 664 C LYS A 45 -4.314 -2.557 8.871 1.00 0.00 C ATOM 665 O LYS A 45 -5.371 -3.063 9.233 1.00 0.00 O ATOM 666 CB LYS A 45 -2.716 -3.493 7.169 1.00 0.00 C ATOM 667 CG LYS A 45 -1.364 -2.806 7.262 1.00 0.00 C ATOM 668 CD LYS A 45 -0.286 -3.761 7.745 1.00 0.00 C ATOM 669 CE LYS A 45 1.057 -3.061 7.879 1.00 0.00 C ATOM 670 NZ LYS A 45 2.167 -3.871 7.306 1.00 0.00 N ATOM 0 H LYS A 45 -2.697 -1.002 6.711 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.762 -2.968 6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.750 -4.299 7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.807 -3.953 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.089 -2.409 6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.432 -1.958 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.576 -4.182 8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.196 -4.593 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.015 -2.096 7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.259 -2.862 8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.043 -3.311 7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.302 -4.729 7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.932 -4.140 6.329 1.00 0.00 H new ATOM 684 N THR A 46 -3.474 -1.969 9.721 1.00 0.00 N ATOM 685 CA THR A 46 -3.774 -1.897 11.153 1.00 0.00 C ATOM 686 C THR A 46 -5.170 -1.313 11.396 1.00 0.00 C ATOM 687 O THR A 46 -5.819 -1.632 12.393 1.00 0.00 O ATOM 688 CB THR A 46 -2.720 -1.068 11.888 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.415 -1.557 11.618 1.00 0.00 O ATOM 690 CG2 THR A 46 -2.905 -1.062 13.390 1.00 0.00 C ATOM 0 H THR A 46 -2.590 -1.540 9.449 1.00 0.00 H new ATOM 0 HA THR A 46 -3.754 -2.913 11.546 1.00 0.00 H new ATOM 0 HB THR A 46 -2.844 -0.051 11.517 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.996 -1.006 10.925 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.125 -0.456 13.850 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.881 -0.643 13.635 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.843 -2.082 13.768 1.00 0.00 H new ATOM 698 N ASN A 47 -5.630 -0.466 10.470 1.00 0.00 N ATOM 699 CA ASN A 47 -6.950 0.150 10.581 1.00 0.00 C ATOM 700 C ASN A 47 -8.045 -0.796 10.077 1.00 0.00 C ATOM 701 O ASN A 47 -9.167 -0.782 10.588 1.00 0.00 O ATOM 702 CB ASN A 47 -6.992 1.464 9.792 1.00 0.00 C ATOM 703 CG ASN A 47 -7.246 2.662 10.685 1.00 0.00 C ATOM 704 OD1 ASN A 47 -8.393 3.022 10.947 1.00 0.00 O ATOM 705 ND2 ASN A 47 -6.175 3.288 11.158 1.00 0.00 N ATOM 0 H ASN A 47 -5.107 -0.194 9.638 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.135 0.359 11.635 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.047 1.600 9.265 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.774 1.406 9.034 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.286 4.101 11.764 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.242 2.956 10.916 1.00 0.00 H new ATOM 712 N TYR A 48 -7.716 -1.614 9.072 1.00 0.00 N ATOM 713 CA TYR A 48 -8.676 -2.560 8.501 1.00 0.00 C ATOM 714 C TYR A 48 -8.146 -3.997 8.552 1.00 0.00 C ATOM 715 O TYR A 48 -8.589 -4.791 9.383 1.00 0.00 O ATOM 716 CB TYR A 48 -9.004 -2.170 7.057 1.00 0.00 C ATOM 717 CG TYR A 48 -10.484 -2.148 6.749 1.00 0.00 C ATOM 718 CD1 TYR A 48 -11.201 -3.328 6.600 1.00 0.00 C ATOM 719 CD2 TYR A 48 -11.162 -0.945 6.601 1.00 0.00 C ATOM 720 CE1 TYR A 48 -12.553 -3.309 6.312 1.00 0.00 C ATOM 721 CE2 TYR A 48 -12.512 -0.918 6.315 1.00 0.00 C ATOM 722 CZ TYR A 48 -13.203 -2.104 6.171 1.00 0.00 C ATOM 723 OH TYR A 48 -14.549 -2.081 5.885 1.00 0.00 O ATOM 0 H TYR A 48 -6.793 -1.639 8.639 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.585 -2.518 9.101 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.586 -1.184 6.853 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.513 -2.870 6.381 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.694 -4.275 6.711 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.624 -0.015 6.712 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.097 -4.235 6.198 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.025 0.026 6.204 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.854 -1.152 5.819 1.00 0.00 H new ATOM 733 N VAL A 49 -7.206 -4.320 7.650 1.00 0.00 N ATOM 734 CA VAL A 49 -6.608 -5.659 7.561 1.00 0.00 C ATOM 735 C VAL A 49 -7.616 -6.760 7.925 1.00 0.00 C ATOM 736 O VAL A 49 -7.395 -7.554 8.841 1.00 0.00 O ATOM 737 CB VAL A 49 -5.325 -5.784 8.429 1.00 0.00 C ATOM 738 CG1 VAL A 49 -5.643 -5.769 9.920 1.00 0.00 C ATOM 739 CG2 VAL A 49 -4.544 -7.035 8.053 1.00 0.00 C ATOM 0 H VAL A 49 -6.840 -3.660 6.963 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.319 -5.798 6.519 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.704 -4.912 8.224 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.718 -5.859 10.490 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.138 -4.833 10.177 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.300 -6.605 10.160 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.649 -7.105 8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.167 -7.915 8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.256 -6.982 7.003 1.00 0.00 H new ATOM 749 N LYS A 50 -8.728 -6.799 7.190 1.00 0.00 N ATOM 750 CA LYS A 50 -9.773 -7.797 7.427 1.00 0.00 C ATOM 751 C LYS A 50 -9.218 -9.220 7.304 1.00 0.00 C ATOM 752 O LYS A 50 -9.658 -10.127 8.014 1.00 0.00 O ATOM 753 CB LYS A 50 -10.936 -7.598 6.451 1.00 0.00 C ATOM 754 CG LYS A 50 -10.548 -7.746 4.986 1.00 0.00 C ATOM 755 CD LYS A 50 -11.478 -8.702 4.254 1.00 0.00 C ATOM 756 CE LYS A 50 -12.706 -7.988 3.707 1.00 0.00 C ATOM 757 NZ LYS A 50 -13.647 -7.579 4.790 1.00 0.00 N ATOM 0 H LYS A 50 -8.929 -6.153 6.427 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.139 -7.661 8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.719 -8.320 6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.361 -6.606 6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.574 -6.770 4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.523 -8.109 4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.939 -9.177 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.791 -9.496 4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.393 -7.106 3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.223 -8.643 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.557 -7.300 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.795 -8.376 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.246 -6.775 5.313 1.00 0.00 H new ATOM 771 N GLU A 51 -8.245 -9.404 6.409 1.00 0.00 N ATOM 772 CA GLU A 51 -7.624 -10.708 6.202 1.00 0.00 C ATOM 773 C GLU A 51 -6.413 -10.874 7.122 1.00 0.00 C ATOM 774 O GLU A 51 -6.005 -9.925 7.792 1.00 0.00 O ATOM 775 CB GLU A 51 -7.202 -10.866 4.739 1.00 0.00 C ATOM 776 CG GLU A 51 -7.488 -12.243 4.160 1.00 0.00 C ATOM 777 CD GLU A 51 -8.741 -12.266 3.304 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.850 -12.135 3.865 1.00 0.00 O ATOM 779 OE2 GLU A 51 -8.614 -12.412 2.069 1.00 0.00 O ATOM 0 H GLU A 51 -7.872 -8.663 5.816 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.352 -11.482 6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.718 -10.116 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.135 -10.662 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.637 -12.565 3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.595 -12.960 4.974 1.00 0.00 H new ATOM 786 N ARG A 52 -5.848 -12.083 7.151 1.00 0.00 N ATOM 787 CA ARG A 52 -4.687 -12.377 7.991 1.00 0.00 C ATOM 788 C ARG A 52 -3.591 -11.319 7.829 1.00 0.00 C ATOM 789 O ARG A 52 -2.906 -11.279 6.809 1.00 0.00 O ATOM 790 CB ARG A 52 -4.116 -13.759 7.656 1.00 0.00 C ATOM 791 CG ARG A 52 -4.824 -14.904 8.365 1.00 0.00 C ATOM 792 CD ARG A 52 -4.370 -15.040 9.811 1.00 0.00 C ATOM 793 NE ARG A 52 -2.910 -15.061 9.934 1.00 0.00 N ATOM 794 CZ ARG A 52 -2.145 -16.107 9.607 1.00 0.00 C ATOM 795 NH1 ARG A 52 -2.695 -17.219 9.127 1.00 0.00 N ATOM 796 NH2 ARG A 52 -0.827 -16.036 9.754 1.00 0.00 N ATOM 0 H ARG A 52 -6.178 -12.876 6.600 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.026 -12.365 9.027 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.179 -13.916 6.579 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.059 -13.779 7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.901 -14.739 8.336 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.630 -15.836 7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.770 -14.211 10.395 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.782 -15.956 10.234 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.448 -14.225 10.292 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.706 -17.277 9.007 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.106 -18.014 8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.399 -15.184 10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.242 -16.834 9.505 1.00 0.00 H new ATOM 810 N PRO A 53 -3.406 -10.450 8.843 1.00 0.00 N ATOM 811 CA PRO A 53 -2.380 -9.398 8.809 1.00 0.00 C ATOM 812 C PRO A 53 -0.981 -9.952 8.546 1.00 0.00 C ATOM 813 O PRO A 53 -0.132 -9.264 7.979 1.00 0.00 O ATOM 814 CB PRO A 53 -2.449 -8.778 10.208 1.00 0.00 C ATOM 815 CG PRO A 53 -3.817 -9.096 10.701 1.00 0.00 C ATOM 816 CD PRO A 53 -4.173 -10.429 10.102 1.00 0.00 C ATOM 0 HA PRO A 53 -2.562 -8.687 8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.686 -9.197 10.864 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.283 -7.701 10.172 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.839 -9.139 11.790 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.529 -8.329 10.398 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.892 -11.253 10.758 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.244 -10.516 9.922 1.00 0.00 H new ATOM 824 N ASP A 54 -0.745 -11.198 8.964 1.00 0.00 N ATOM 825 CA ASP A 54 0.555 -11.837 8.776 1.00 0.00 C ATOM 826 C ASP A 54 0.623 -12.643 7.474 1.00 0.00 C ATOM 827 O ASP A 54 1.587 -13.380 7.254 1.00 0.00 O ATOM 828 CB ASP A 54 0.875 -12.742 9.967 1.00 0.00 C ATOM 829 CG ASP A 54 1.919 -12.135 10.883 1.00 0.00 C ATOM 830 OD1 ASP A 54 1.652 -11.054 11.451 1.00 0.00 O ATOM 831 OD2 ASP A 54 3.002 -12.737 11.031 1.00 0.00 O ATOM 0 H ASP A 54 -1.437 -11.782 9.434 1.00 0.00 H new ATOM 0 HA ASP A 54 1.298 -11.043 8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.037 -12.931 10.533 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.230 -13.706 9.603 1.00 0.00 H new ATOM 836 N LEU A 55 -0.384 -12.503 6.611 1.00 0.00 N ATOM 837 CA LEU A 55 -0.397 -13.225 5.342 1.00 0.00 C ATOM 838 C LEU A 55 0.322 -12.431 4.249 1.00 0.00 C ATOM 839 O LEU A 55 0.870 -13.013 3.309 1.00 0.00 O ATOM 840 CB LEU A 55 -1.837 -13.551 4.918 1.00 0.00 C ATOM 841 CG LEU A 55 -2.600 -12.423 4.214 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.281 -12.398 2.728 1.00 0.00 C ATOM 843 CD2 LEU A 55 -4.097 -12.583 4.430 1.00 0.00 C ATOM 0 H LEU A 55 -1.193 -11.902 6.767 1.00 0.00 H new ATOM 0 HA LEU A 55 0.140 -14.163 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.813 -14.416 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.399 -13.845 5.805 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.282 -11.475 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.834 -11.589 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.212 -12.238 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.568 -13.349 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.626 -11.775 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.423 -13.540 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.316 -12.548 5.497 1.00 0.00 H new ATOM 855 N LEU A 56 0.319 -11.101 4.375 1.00 0.00 N ATOM 856 CA LEU A 56 0.973 -10.241 3.388 1.00 0.00 C ATOM 857 C LEU A 56 2.404 -9.903 3.798 1.00 0.00 C ATOM 858 O LEU A 56 3.334 -10.119 3.028 1.00 0.00 O ATOM 859 CB LEU A 56 0.186 -8.943 3.155 1.00 0.00 C ATOM 860 CG LEU A 56 -0.524 -8.349 4.377 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.653 -6.840 4.233 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.896 -8.987 4.566 1.00 0.00 C ATOM 0 H LEU A 56 -0.126 -10.601 5.145 1.00 0.00 H new ATOM 0 HA LEU A 56 0.999 -10.805 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.872 -8.193 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.561 -9.130 2.383 1.00 0.00 H new ATOM 0 HG LEU A 56 0.076 -8.563 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.159 -6.433 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.339 -6.396 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.232 -6.608 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.383 -8.551 5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.507 -8.806 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.781 -10.061 4.713 1.00 0.00 H new ATOM 874 N VAL A 57 2.574 -9.360 5.003 1.00 0.00 N ATOM 875 CA VAL A 57 3.901 -8.985 5.493 1.00 0.00 C ATOM 876 C VAL A 57 4.877 -10.153 5.420 1.00 0.00 C ATOM 877 O VAL A 57 4.483 -11.317 5.506 1.00 0.00 O ATOM 878 CB VAL A 57 3.862 -8.463 6.941 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.432 -7.005 6.973 1.00 0.00 C ATOM 880 CG2 VAL A 57 2.949 -9.322 7.803 1.00 0.00 C ATOM 0 H VAL A 57 1.814 -9.170 5.656 1.00 0.00 H new ATOM 0 HA VAL A 57 4.243 -8.183 4.839 1.00 0.00 H new ATOM 0 HB VAL A 57 4.868 -8.528 7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.411 -6.655 8.005 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.139 -6.405 6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.438 -6.909 6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.938 -8.933 8.821 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.938 -9.301 7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.316 -10.348 7.811 1.00 0.00 H new ATOM 890 N ASP A 58 6.154 -9.823 5.264 1.00 0.00 N ATOM 891 CA ASP A 58 7.208 -10.827 5.181 1.00 0.00 C ATOM 892 C ASP A 58 7.336 -11.581 6.503 1.00 0.00 C ATOM 893 O ASP A 58 7.193 -12.803 6.547 1.00 0.00 O ATOM 894 CB ASP A 58 8.541 -10.168 4.819 1.00 0.00 C ATOM 895 CG ASP A 58 9.664 -11.174 4.659 1.00 0.00 C ATOM 896 OD1 ASP A 58 9.798 -11.741 3.555 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.405 -11.393 5.640 1.00 0.00 O ATOM 0 H ASP A 58 6.486 -8.861 5.192 1.00 0.00 H new ATOM 0 HA ASP A 58 6.944 -11.540 4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.425 -9.608 3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.809 -9.450 5.594 1.00 0.00 H new ATOM 902 N GLN A 59 7.596 -10.839 7.579 1.00 0.00 N ATOM 903 CA GLN A 59 7.734 -11.434 8.907 1.00 0.00 C ATOM 904 C GLN A 59 7.841 -10.364 9.992 1.00 0.00 C ATOM 905 O GLN A 59 7.189 -10.461 11.031 1.00 0.00 O ATOM 906 CB GLN A 59 8.954 -12.361 8.961 1.00 0.00 C ATOM 907 CG GLN A 59 9.096 -13.112 10.279 1.00 0.00 C ATOM 908 CD GLN A 59 8.616 -14.549 10.189 1.00 0.00 C ATOM 909 OE1 GLN A 59 9.383 -15.487 10.402 1.00 0.00 O ATOM 910 NE2 GLN A 59 7.337 -14.730 9.874 1.00 0.00 N ATOM 0 H GLN A 59 7.715 -9.826 7.557 1.00 0.00 H new ATOM 0 HA GLN A 59 6.835 -12.020 9.097 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.887 -13.083 8.147 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.855 -11.771 8.790 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.141 -13.101 10.588 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.530 -12.592 11.052 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.734 -13.925 9.705 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.958 -15.674 9.801 1.00 0.00 H new ATOM 919 N THR A 60 8.663 -9.348 9.744 1.00 0.00 N ATOM 920 CA THR A 60 8.852 -8.262 10.705 1.00 0.00 C ATOM 921 C THR A 60 7.764 -7.191 10.568 1.00 0.00 C ATOM 922 O THR A 60 7.875 -6.115 11.157 1.00 0.00 O ATOM 923 CB THR A 60 10.236 -7.630 10.522 1.00 0.00 C ATOM 924 OG1 THR A 60 10.585 -7.571 9.150 1.00 0.00 O ATOM 925 CG2 THR A 60 11.336 -8.381 11.243 1.00 0.00 C ATOM 0 H THR A 60 9.209 -9.253 8.888 1.00 0.00 H new ATOM 0 HA THR A 60 8.778 -8.688 11.706 1.00 0.00 H new ATOM 0 HB THR A 60 10.156 -6.631 10.952 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.471 -7.163 9.055 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.290 -7.881 11.073 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.123 -8.401 12.312 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.388 -9.402 10.864 1.00 0.00 H new ATOM 933 N GLY A 61 6.715 -7.486 9.792 1.00 0.00 N ATOM 934 CA GLY A 61 5.636 -6.532 9.603 1.00 0.00 C ATOM 935 C GLY A 61 6.129 -5.188 9.093 1.00 0.00 C ATOM 936 O GLY A 61 5.510 -4.155 9.350 1.00 0.00 O ATOM 0 H GLY A 61 6.598 -8.368 9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.913 -6.941 8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.113 -6.388 10.548 1.00 0.00 H new ATOM 940 N GLN A 62 7.248 -5.208 8.370 1.00 0.00 N ATOM 941 CA GLN A 62 7.836 -3.988 7.824 1.00 0.00 C ATOM 942 C GLN A 62 7.874 -4.039 6.297 1.00 0.00 C ATOM 943 O GLN A 62 7.583 -3.049 5.627 1.00 0.00 O ATOM 944 CB GLN A 62 9.249 -3.785 8.384 1.00 0.00 C ATOM 945 CG GLN A 62 9.837 -2.408 8.096 1.00 0.00 C ATOM 946 CD GLN A 62 11.252 -2.475 7.548 1.00 0.00 C ATOM 947 OE1 GLN A 62 11.586 -3.363 6.762 1.00 0.00 O ATOM 948 NE2 GLN A 62 12.095 -1.532 7.960 1.00 0.00 N ATOM 0 H GLN A 62 7.766 -6.059 8.149 1.00 0.00 H new ATOM 0 HA GLN A 62 7.213 -3.144 8.122 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.227 -3.941 9.462 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.908 -4.545 7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.200 -1.888 7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.835 -1.818 9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.778 -0.814 8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.058 -1.527 7.624 1.00 0.00 H new ATOM 957 N THR A 63 8.227 -5.205 5.761 1.00 0.00 N ATOM 958 CA THR A 63 8.297 -5.406 4.318 1.00 0.00 C ATOM 959 C THR A 63 7.299 -6.479 3.892 1.00 0.00 C ATOM 960 O THR A 63 7.271 -7.566 4.467 1.00 0.00 O ATOM 961 CB THR A 63 9.721 -5.803 3.900 1.00 0.00 C ATOM 962 OG1 THR A 63 9.761 -6.186 2.536 1.00 0.00 O ATOM 963 CG2 THR A 63 10.293 -6.948 4.714 1.00 0.00 C ATOM 0 H THR A 63 8.470 -6.030 6.310 1.00 0.00 H new ATOM 0 HA THR A 63 8.042 -4.470 3.820 1.00 0.00 H new ATOM 0 HB THR A 63 10.326 -4.914 4.078 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.678 -6.433 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.300 -7.175 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.329 -6.664 5.766 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.661 -7.829 4.597 1.00 0.00 H new ATOM 971 N LEU A 64 6.474 -6.163 2.895 1.00 0.00 N ATOM 972 CA LEU A 64 5.468 -7.103 2.406 1.00 0.00 C ATOM 973 C LEU A 64 6.125 -8.301 1.722 1.00 0.00 C ATOM 974 O LEU A 64 7.260 -8.212 1.250 1.00 0.00 O ATOM 975 CB LEU A 64 4.508 -6.411 1.435 1.00 0.00 C ATOM 976 CG LEU A 64 3.316 -5.692 2.080 1.00 0.00 C ATOM 977 CD1 LEU A 64 2.268 -5.372 1.028 1.00 0.00 C ATOM 978 CD2 LEU A 64 2.710 -6.534 3.196 1.00 0.00 C ATOM 0 H LEU A 64 6.483 -5.265 2.411 1.00 0.00 H new ATOM 0 HA LEU A 64 4.902 -7.461 3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.073 -5.686 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.126 -7.156 0.737 1.00 0.00 H new ATOM 0 HG LEU A 64 3.673 -4.760 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.426 -4.862 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.704 -4.728 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.921 -6.297 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.867 -6.002 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.366 -7.485 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.463 -6.719 3.962 1.00 0.00 H new ATOM 990 N ARG A 65 5.401 -9.419 1.678 1.00 0.00 N ATOM 991 CA ARG A 65 5.907 -10.645 1.057 1.00 0.00 C ATOM 992 C ARG A 65 6.408 -10.390 -0.368 1.00 0.00 C ATOM 993 O ARG A 65 5.956 -9.462 -1.042 1.00 0.00 O ATOM 994 CB ARG A 65 4.819 -11.728 1.037 1.00 0.00 C ATOM 995 CG ARG A 65 3.602 -11.359 0.205 1.00 0.00 C ATOM 996 CD ARG A 65 3.011 -12.574 -0.492 1.00 0.00 C ATOM 997 NE ARG A 65 2.171 -13.368 0.404 1.00 0.00 N ATOM 998 CZ ARG A 65 1.273 -14.264 -0.012 1.00 0.00 C ATOM 999 NH1 ARG A 65 1.089 -14.480 -1.312 1.00 0.00 N ATOM 1000 NH2 ARG A 65 0.554 -14.943 0.873 1.00 0.00 N ATOM 0 H ARG A 65 4.461 -9.502 2.065 1.00 0.00 H new ATOM 0 HA ARG A 65 6.748 -10.990 1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.247 -12.652 0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.501 -11.929 2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.847 -10.903 0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.882 -10.613 -0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.420 -12.248 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.817 -13.197 -0.879 1.00 0.00 H new ATOM 0 HE ARG A 65 2.278 -13.229 1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.636 -13.959 -1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.401 -15.166 -1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.687 -14.780 1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.132 -15.628 0.555 1.00 0.00 H new ATOM 1014 N PRO A 66 7.354 -11.225 -0.845 1.00 0.00 N ATOM 1015 CA PRO A 66 7.926 -11.102 -2.195 1.00 0.00 C ATOM 1016 C PRO A 66 6.879 -11.239 -3.294 1.00 0.00 C ATOM 1017 O PRO A 66 6.936 -10.533 -4.303 1.00 0.00 O ATOM 1018 CB PRO A 66 8.936 -12.252 -2.273 1.00 0.00 C ATOM 1019 CG PRO A 66 8.533 -13.200 -1.195 1.00 0.00 C ATOM 1020 CD PRO A 66 7.942 -12.356 -0.106 1.00 0.00 C ATOM 0 HA PRO A 66 8.370 -10.118 -2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.910 -12.733 -3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.954 -11.893 -2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.808 -13.926 -1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.391 -13.764 -0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.189 -12.901 0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.700 -12.024 0.604 1.00 0.00 H new ATOM 1028 N GLY A 67 5.926 -12.148 -3.090 1.00 0.00 N ATOM 1029 CA GLY A 67 4.873 -12.364 -4.065 1.00 0.00 C ATOM 1030 C GLY A 67 4.226 -11.068 -4.531 1.00 0.00 C ATOM 1031 O GLY A 67 3.868 -10.941 -5.701 1.00 0.00 O ATOM 0 H GLY A 67 5.867 -12.740 -2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.284 -12.890 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.110 -13.010 -3.632 1.00 0.00 H new ATOM 1035 N ILE A 68 4.084 -10.100 -3.622 1.00 0.00 N ATOM 1036 CA ILE A 68 3.483 -8.817 -3.973 1.00 0.00 C ATOM 1037 C ILE A 68 4.520 -7.876 -4.576 1.00 0.00 C ATOM 1038 O ILE A 68 5.571 -7.628 -3.980 1.00 0.00 O ATOM 1039 CB ILE A 68 2.836 -8.127 -2.755 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.883 -9.078 -2.030 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.099 -6.867 -3.187 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.885 -8.887 -0.532 1.00 0.00 C ATOM 0 H ILE A 68 4.375 -10.181 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 68 2.706 -9.032 -4.707 1.00 0.00 H new ATOM 0 HB ILE A 68 3.630 -7.848 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.872 -8.928 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.160 -10.107 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.648 -6.392 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.802 -6.176 -3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.319 -7.129 -3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.189 -9.590 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.888 -9.064 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.579 -7.868 -0.295 1.00 0.00 H new ATOM 1054 N LEU A 69 4.215 -7.350 -5.759 1.00 0.00 N ATOM 1055 CA LEU A 69 5.113 -6.431 -6.442 1.00 0.00 C ATOM 1056 C LEU A 69 4.738 -4.985 -6.129 1.00 0.00 C ATOM 1057 O LEU A 69 3.784 -4.445 -6.694 1.00 0.00 O ATOM 1058 CB LEU A 69 5.074 -6.669 -7.956 1.00 0.00 C ATOM 1059 CG LEU A 69 6.331 -7.310 -8.549 1.00 0.00 C ATOM 1060 CD1 LEU A 69 6.139 -7.579 -10.034 1.00 0.00 C ATOM 1061 CD2 LEU A 69 7.547 -6.422 -8.317 1.00 0.00 C ATOM 0 H LEU A 69 3.350 -7.547 -6.263 1.00 0.00 H new ATOM 0 HA LEU A 69 6.126 -6.614 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.219 -7.305 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.904 -5.714 -8.453 1.00 0.00 H new ATOM 0 HG LEU A 69 6.503 -8.261 -8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.042 -8.035 -10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.296 -8.255 -10.175 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.942 -6.640 -10.551 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.430 -6.895 -8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.387 -5.454 -8.792 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.695 -6.280 -7.246 1.00 0.00 H new ATOM 1073 N VAL A 70 5.490 -4.365 -5.221 1.00 0.00 N ATOM 1074 CA VAL A 70 5.236 -2.981 -4.832 1.00 0.00 C ATOM 1075 C VAL A 70 5.802 -2.011 -5.868 1.00 0.00 C ATOM 1076 O VAL A 70 6.949 -2.149 -6.299 1.00 0.00 O ATOM 1077 CB VAL A 70 5.831 -2.649 -3.444 1.00 0.00 C ATOM 1078 CG1 VAL A 70 5.053 -3.354 -2.345 1.00 0.00 C ATOM 1079 CG2 VAL A 70 7.308 -3.015 -3.382 1.00 0.00 C ATOM 0 H VAL A 70 6.279 -4.799 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 70 4.153 -2.866 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 70 5.745 -1.574 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.487 -3.108 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.013 -3.029 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.100 -4.432 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.702 -2.771 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.426 -4.083 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.854 -2.453 -4.140 1.00 0.00 H new ATOM 1089 N LEU A 71 4.988 -1.032 -6.268 1.00 0.00 N ATOM 1090 CA LEU A 71 5.407 -0.044 -7.262 1.00 0.00 C ATOM 1091 C LEU A 71 4.970 1.366 -6.865 1.00 0.00 C ATOM 1092 O LEU A 71 3.850 1.570 -6.391 1.00 0.00 O ATOM 1093 CB LEU A 71 4.837 -0.388 -8.645 1.00 0.00 C ATOM 1094 CG LEU A 71 4.636 -1.880 -8.927 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.712 -2.076 -10.120 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.976 -2.564 -9.167 1.00 0.00 C ATOM 0 H LEU A 71 4.038 -0.903 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 71 6.496 -0.070 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.878 0.117 -8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.504 0.020 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 71 4.171 -2.337 -8.054 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.580 -3.142 -10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.744 -1.622 -9.909 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.149 -1.605 -11.000 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.813 -3.623 -9.366 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.470 -2.106 -10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.605 -2.453 -8.283 1.00 0.00 H new ATOM 1108 N VAL A 72 5.862 2.334 -7.075 1.00 0.00 N ATOM 1109 CA VAL A 72 5.581 3.729 -6.756 1.00 0.00 C ATOM 1110 C VAL A 72 5.653 4.595 -8.014 1.00 0.00 C ATOM 1111 O VAL A 72 6.695 4.669 -8.667 1.00 0.00 O ATOM 1112 CB VAL A 72 6.566 4.284 -5.702 1.00 0.00 C ATOM 1113 CG1 VAL A 72 6.197 5.709 -5.311 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.605 3.384 -4.475 1.00 0.00 C ATOM 0 H VAL A 72 6.790 2.174 -7.467 1.00 0.00 H new ATOM 0 HA VAL A 72 4.573 3.765 -6.343 1.00 0.00 H new ATOM 0 HB VAL A 72 7.561 4.301 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.905 6.077 -4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.231 6.349 -6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.191 5.722 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.304 3.793 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.610 3.329 -4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.928 2.385 -4.767 1.00 0.00 H new ATOM 1124 N ASN A 73 4.534 5.243 -8.344 1.00 0.00 N ATOM 1125 CA ASN A 73 4.448 6.107 -9.524 1.00 0.00 C ATOM 1126 C ASN A 73 4.708 5.314 -10.807 1.00 0.00 C ATOM 1127 O ASN A 73 5.573 5.671 -11.609 1.00 0.00 O ATOM 1128 CB ASN A 73 5.438 7.275 -9.412 1.00 0.00 C ATOM 1129 CG ASN A 73 4.830 8.493 -8.741 1.00 0.00 C ATOM 1130 OD1 ASN A 73 3.625 8.734 -8.834 1.00 0.00 O ATOM 1131 ND2 ASN A 73 5.663 9.273 -8.062 1.00 0.00 N ATOM 0 H ASN A 73 3.669 5.185 -7.807 1.00 0.00 H new ATOM 0 HA ASN A 73 3.436 6.509 -9.571 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.313 6.952 -8.847 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.785 7.549 -10.408 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.312 10.108 -7.593 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.654 9.037 -8.010 1.00 0.00 H new ATOM 1138 N SER A 74 3.949 4.232 -10.990 1.00 0.00 N ATOM 1139 CA SER A 74 4.085 3.378 -12.170 1.00 0.00 C ATOM 1140 C SER A 74 5.537 2.927 -12.373 1.00 0.00 C ATOM 1141 O SER A 74 6.022 2.848 -13.505 1.00 0.00 O ATOM 1142 CB SER A 74 3.581 4.111 -13.415 1.00 0.00 C ATOM 1143 OG SER A 74 2.225 4.501 -13.266 1.00 0.00 O ATOM 0 H SER A 74 3.231 3.926 -10.333 1.00 0.00 H new ATOM 0 HA SER A 74 3.478 2.487 -12.009 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.198 4.991 -13.597 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.683 3.465 -14.287 1.00 0.00 H new ATOM 0 HG SER A 74 1.928 4.969 -14.075 1.00 0.00 H new ATOM 1149 N CYS A 75 6.225 2.632 -11.269 1.00 0.00 N ATOM 1150 CA CYS A 75 7.614 2.190 -11.323 1.00 0.00 C ATOM 1151 C CYS A 75 7.963 1.369 -10.084 1.00 0.00 C ATOM 1152 O CYS A 75 7.333 1.522 -9.038 1.00 0.00 O ATOM 1153 CB CYS A 75 8.550 3.394 -11.434 1.00 0.00 C ATOM 1154 SG CYS A 75 10.262 2.967 -11.830 1.00 0.00 S ATOM 0 H CYS A 75 5.840 2.692 -10.326 1.00 0.00 H new ATOM 0 HA CYS A 75 7.741 1.562 -12.205 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.168 4.067 -12.201 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.532 3.942 -10.492 1.00 0.00 H new ATOM 0 HG CYS A 75 10.974 4.052 -11.904 1.00 0.00 H new ATOM 1160 N ASP A 76 8.962 0.497 -10.207 1.00 0.00 N ATOM 1161 CA ASP A 76 9.393 -0.353 -9.096 1.00 0.00 C ATOM 1162 C ASP A 76 9.558 0.453 -7.807 1.00 0.00 C ATOM 1163 O ASP A 76 10.307 1.433 -7.769 1.00 0.00 O ATOM 1164 CB ASP A 76 10.709 -1.057 -9.440 1.00 0.00 C ATOM 1165 CG ASP A 76 10.491 -2.399 -10.110 1.00 0.00 C ATOM 1166 OD1 ASP A 76 9.780 -2.445 -11.137 1.00 0.00 O ATOM 1167 OD2 ASP A 76 11.031 -3.406 -9.607 1.00 0.00 O ATOM 0 H ASP A 76 9.491 0.359 -11.068 1.00 0.00 H new ATOM 0 HA ASP A 76 8.617 -1.101 -8.934 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.298 -0.418 -10.097 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.290 -1.199 -8.529 1.00 0.00 H new ATOM 1172 N ALA A 77 8.856 0.032 -6.755 1.00 0.00 N ATOM 1173 CA ALA A 77 8.924 0.713 -5.462 1.00 0.00 C ATOM 1174 C ALA A 77 10.284 0.523 -4.795 1.00 0.00 C ATOM 1175 O ALA A 77 10.683 1.330 -3.955 1.00 0.00 O ATOM 1176 CB ALA A 77 7.823 0.218 -4.537 1.00 0.00 C ATOM 0 H ALA A 77 8.234 -0.776 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 77 8.784 1.778 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.891 0.737 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.851 0.416 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.937 -0.854 -4.377 1.00 0.00 H new ATOM 1182 N GLU A 78 10.994 -0.540 -5.171 1.00 0.00 N ATOM 1183 CA GLU A 78 12.308 -0.820 -4.605 1.00 0.00 C ATOM 1184 C GLU A 78 13.353 0.126 -5.180 1.00 0.00 C ATOM 1185 O GLU A 78 14.344 0.440 -4.519 1.00 0.00 O ATOM 1186 CB GLU A 78 12.708 -2.274 -4.873 1.00 0.00 C ATOM 1187 CG GLU A 78 11.731 -3.290 -4.301 1.00 0.00 C ATOM 1188 CD GLU A 78 12.039 -3.652 -2.861 1.00 0.00 C ATOM 1189 OE1 GLU A 78 13.103 -4.259 -2.614 1.00 0.00 O ATOM 1190 OE2 GLU A 78 11.216 -3.325 -1.979 1.00 0.00 O ATOM 0 H GLU A 78 10.680 -1.219 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 78 12.255 -0.664 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.790 -2.427 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.696 -2.454 -4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.719 -2.889 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.754 -4.193 -4.911 1.00 0.00 H new ATOM 1197 N VAL A 79 13.127 0.580 -6.409 1.00 0.00 N ATOM 1198 CA VAL A 79 14.052 1.494 -7.062 1.00 0.00 C ATOM 1199 C VAL A 79 13.958 2.898 -6.466 1.00 0.00 C ATOM 1200 O VAL A 79 14.975 3.560 -6.259 1.00 0.00 O ATOM 1201 CB VAL A 79 13.808 1.572 -8.583 1.00 0.00 C ATOM 1202 CG1 VAL A 79 14.895 2.396 -9.252 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.733 0.178 -9.193 1.00 0.00 C ATOM 0 H VAL A 79 12.313 0.329 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 79 15.052 1.095 -6.890 1.00 0.00 H new ATOM 0 HB VAL A 79 12.850 2.064 -8.752 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.709 2.442 -10.325 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.892 3.405 -8.840 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.865 1.933 -9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.560 0.259 -10.266 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.671 -0.348 -9.015 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.914 -0.376 -8.735 1.00 0.00 H new ATOM 1213 N VAL A 80 12.733 3.348 -6.190 1.00 0.00 N ATOM 1214 CA VAL A 80 12.515 4.676 -5.616 1.00 0.00 C ATOM 1215 C VAL A 80 12.966 4.741 -4.156 1.00 0.00 C ATOM 1216 O VAL A 80 13.448 5.779 -3.699 1.00 0.00 O ATOM 1217 CB VAL A 80 11.033 5.108 -5.707 1.00 0.00 C ATOM 1218 CG1 VAL A 80 10.596 5.226 -7.159 1.00 0.00 C ATOM 1219 CG2 VAL A 80 10.134 4.137 -4.949 1.00 0.00 C ATOM 0 H VAL A 80 11.879 2.814 -6.354 1.00 0.00 H new ATOM 0 HA VAL A 80 13.119 5.364 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 80 10.938 6.089 -5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.550 5.531 -7.201 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.211 5.970 -7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.713 4.262 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.097 4.463 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.234 3.139 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.427 4.113 -3.899 1.00 0.00 H new ATOM 1229 N GLY A 81 12.804 3.634 -3.428 1.00 0.00 N ATOM 1230 CA GLY A 81 13.202 3.599 -2.030 1.00 0.00 C ATOM 1231 C GLY A 81 13.147 2.203 -1.430 1.00 0.00 C ATOM 1232 O GLY A 81 14.082 1.783 -0.748 1.00 0.00 O ATOM 0 H GLY A 81 12.405 2.764 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.216 3.988 -1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.553 4.260 -1.457 1.00 0.00 H new ATOM 1236 N GLY A 82 12.048 1.488 -1.681 1.00 0.00 N ATOM 1237 CA GLY A 82 11.891 0.144 -1.150 1.00 0.00 C ATOM 1238 C GLY A 82 11.206 0.139 0.201 1.00 0.00 C ATOM 1239 O GLY A 82 11.847 -0.082 1.230 1.00 0.00 O ATOM 0 H GLY A 82 11.264 1.818 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.312 -0.457 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.870 -0.326 -1.061 1.00 0.00 H new ATOM 1243 N MET A 83 9.896 0.392 0.195 1.00 0.00 N ATOM 1244 CA MET A 83 9.110 0.427 1.428 1.00 0.00 C ATOM 1245 C MET A 83 9.600 1.539 2.365 1.00 0.00 C ATOM 1246 O MET A 83 9.486 1.425 3.587 1.00 0.00 O ATOM 1247 CB MET A 83 9.168 -0.932 2.137 1.00 0.00 C ATOM 1248 CG MET A 83 8.794 -2.103 1.240 1.00 0.00 C ATOM 1249 SD MET A 83 7.190 -2.812 1.657 1.00 0.00 S ATOM 1250 CE MET A 83 6.914 -3.880 0.247 1.00 0.00 C ATOM 0 H MET A 83 9.357 0.576 -0.651 1.00 0.00 H new ATOM 0 HA MET A 83 8.075 0.641 1.162 1.00 0.00 H new ATOM 0 HB2 MET A 83 10.175 -1.088 2.523 1.00 0.00 H new ATOM 0 HB3 MET A 83 8.497 -0.914 2.995 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.781 -1.771 0.202 1.00 0.00 H new ATOM 0 HG3 MET A 83 9.560 -2.875 1.318 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.844 -4.037 0.113 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.327 -3.415 -0.648 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.403 -4.839 0.416 1.00 0.00 H new ATOM 1260 N ASP A 84 10.138 2.615 1.784 1.00 0.00 N ATOM 1261 CA ASP A 84 10.639 3.744 2.569 1.00 0.00 C ATOM 1262 C ASP A 84 10.515 5.063 1.796 1.00 0.00 C ATOM 1263 O ASP A 84 11.313 5.983 1.992 1.00 0.00 O ATOM 1264 CB ASP A 84 12.098 3.502 2.968 1.00 0.00 C ATOM 1265 CG ASP A 84 12.587 4.477 4.025 1.00 0.00 C ATOM 1266 OD1 ASP A 84 11.950 4.560 5.097 1.00 0.00 O ATOM 1267 OD2 ASP A 84 13.602 5.158 3.779 1.00 0.00 O ATOM 0 H ASP A 84 10.237 2.727 0.775 1.00 0.00 H new ATOM 0 HA ASP A 84 10.029 3.824 3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.204 2.484 3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.730 3.584 2.084 1.00 0.00 H new ATOM 1272 N TYR A 85 9.512 5.156 0.920 1.00 0.00 N ATOM 1273 CA TYR A 85 9.297 6.367 0.132 1.00 0.00 C ATOM 1274 C TYR A 85 8.364 7.334 0.859 1.00 0.00 C ATOM 1275 O TYR A 85 7.211 7.004 1.141 1.00 0.00 O ATOM 1276 CB TYR A 85 8.722 6.012 -1.240 1.00 0.00 C ATOM 1277 CG TYR A 85 8.887 7.108 -2.266 1.00 0.00 C ATOM 1278 CD1 TYR A 85 10.062 7.235 -2.994 1.00 0.00 C ATOM 1279 CD2 TYR A 85 7.866 8.021 -2.504 1.00 0.00 C ATOM 1280 CE1 TYR A 85 10.217 8.239 -3.931 1.00 0.00 C ATOM 1281 CE2 TYR A 85 8.013 9.025 -3.440 1.00 0.00 C ATOM 1282 CZ TYR A 85 9.189 9.131 -4.151 1.00 0.00 C ATOM 1283 OH TYR A 85 9.337 10.132 -5.083 1.00 0.00 O ATOM 0 H TYR A 85 8.840 4.410 0.740 1.00 0.00 H new ATOM 0 HA TYR A 85 10.260 6.858 -0.004 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.208 5.107 -1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.662 5.783 -1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.869 6.537 -2.825 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.943 7.944 -1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.138 8.324 -4.488 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.209 9.725 -3.615 1.00 0.00 H new ATOM 0 HH TYR A 85 8.520 10.672 -5.115 1.00 0.00 H new ATOM 1293 N VAL A 86 8.877 8.528 1.162 1.00 0.00 N ATOM 1294 CA VAL A 86 8.097 9.551 1.864 1.00 0.00 C ATOM 1295 C VAL A 86 6.941 10.070 1.009 1.00 0.00 C ATOM 1296 O VAL A 86 6.976 9.990 -0.221 1.00 0.00 O ATOM 1297 CB VAL A 86 8.973 10.748 2.297 1.00 0.00 C ATOM 1298 CG1 VAL A 86 9.877 10.365 3.460 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.794 11.278 1.126 1.00 0.00 C ATOM 0 H VAL A 86 9.830 8.811 0.932 1.00 0.00 H new ATOM 0 HA VAL A 86 7.695 9.063 2.752 1.00 0.00 H new ATOM 0 HB VAL A 86 8.309 11.545 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.484 11.224 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.267 10.052 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.528 9.544 3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.401 12.120 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.444 10.488 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.124 11.606 0.331 1.00 0.00 H new ATOM 1309 N LEU A 87 5.915 10.601 1.677 1.00 0.00 N ATOM 1310 CA LEU A 87 4.735 11.133 0.996 1.00 0.00 C ATOM 1311 C LEU A 87 4.906 12.611 0.657 1.00 0.00 C ATOM 1312 O LEU A 87 5.749 13.302 1.235 1.00 0.00 O ATOM 1313 CB LEU A 87 3.492 10.945 1.872 1.00 0.00 C ATOM 1314 CG LEU A 87 2.329 10.211 1.202 1.00 0.00 C ATOM 1315 CD1 LEU A 87 2.651 8.732 1.054 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.048 10.404 2.003 1.00 0.00 C ATOM 0 H LEU A 87 5.879 10.674 2.694 1.00 0.00 H new ATOM 0 HA LEU A 87 4.612 10.582 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.779 10.396 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.144 11.926 2.196 1.00 0.00 H new ATOM 0 HG LEU A 87 2.179 10.631 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.814 8.223 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.545 8.614 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.825 8.297 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.230 9.876 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.185 10.008 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.811 11.466 2.060 1.00 0.00 H new ATOM 1328 N ASN A 88 4.092 13.091 -0.284 1.00 0.00 N ATOM 1329 CA ASN A 88 4.139 14.489 -0.703 1.00 0.00 C ATOM 1330 C ASN A 88 2.824 14.916 -1.359 1.00 0.00 C ATOM 1331 O ASN A 88 2.824 15.697 -2.311 1.00 0.00 O ATOM 1332 CB ASN A 88 5.308 14.708 -1.669 1.00 0.00 C ATOM 1333 CG ASN A 88 6.545 15.234 -0.966 1.00 0.00 C ATOM 1334 OD1 ASN A 88 6.484 16.221 -0.233 1.00 0.00 O ATOM 1335 ND2 ASN A 88 7.676 14.575 -1.188 1.00 0.00 N ATOM 0 H ASN A 88 3.392 12.530 -0.770 1.00 0.00 H new ATOM 0 HA ASN A 88 4.287 15.104 0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.547 13.768 -2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.008 15.411 -2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 88 8.541 14.882 -0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 88 7.680 13.762 -1.803 1.00 0.00 H new ATOM 1342 N ASP A 89 1.704 14.402 -0.838 1.00 0.00 N ATOM 1343 CA ASP A 89 0.378 14.727 -1.366 1.00 0.00 C ATOM 1344 C ASP A 89 0.250 14.290 -2.822 1.00 0.00 C ATOM 1345 O ASP A 89 0.610 15.028 -3.741 1.00 0.00 O ATOM 1346 CB ASP A 89 0.097 16.228 -1.241 1.00 0.00 C ATOM 1347 CG ASP A 89 -1.355 16.581 -1.523 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -2.210 15.668 -1.514 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -1.638 17.775 -1.753 1.00 0.00 O ATOM 0 H ASP A 89 1.692 13.757 -0.048 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.359 14.183 -0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.358 16.559 -0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.740 16.772 -1.933 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.263 13.080 -3.020 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.429 12.550 -4.363 1.00 0.00 C ATOM 1356 C GLY A 90 0.489 11.370 -4.643 1.00 0.00 C ATOM 1357 O GLY A 90 0.912 11.164 -5.781 1.00 0.00 O ATOM 0 H GLY A 90 -0.568 12.455 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.465 12.241 -4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.232 13.339 -5.088 1.00 0.00 H new ATOM 1361 N ASP A 91 0.791 10.595 -3.599 1.00 0.00 N ATOM 1362 CA ASP A 91 1.659 9.427 -3.728 1.00 0.00 C ATOM 1363 C ASP A 91 0.966 8.312 -4.509 1.00 0.00 C ATOM 1364 O ASP A 91 -0.244 8.359 -4.733 1.00 0.00 O ATOM 1365 CB ASP A 91 2.069 8.923 -2.337 1.00 0.00 C ATOM 1366 CG ASP A 91 3.466 8.331 -2.311 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.410 9.009 -2.771 1.00 0.00 O ATOM 1368 OD2 ASP A 91 3.618 7.192 -1.824 1.00 0.00 O ATOM 0 H ASP A 91 0.445 10.758 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 91 2.551 9.723 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.016 9.748 -1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.355 8.170 -2.004 1.00 0.00 H new ATOM 1373 N THR A 92 1.738 7.310 -4.924 1.00 0.00 N ATOM 1374 CA THR A 92 1.193 6.187 -5.678 1.00 0.00 C ATOM 1375 C THR A 92 1.823 4.868 -5.232 1.00 0.00 C ATOM 1376 O THR A 92 3.047 4.728 -5.228 1.00 0.00 O ATOM 1377 CB THR A 92 1.409 6.398 -7.183 1.00 0.00 C ATOM 1378 OG1 THR A 92 0.821 7.616 -7.614 1.00 0.00 O ATOM 1379 CG2 THR A 92 0.835 5.286 -8.034 1.00 0.00 C ATOM 0 H THR A 92 2.742 7.254 -4.750 1.00 0.00 H new ATOM 0 HA THR A 92 0.122 6.136 -5.480 1.00 0.00 H new ATOM 0 HB THR A 92 2.491 6.414 -7.316 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.506 8.181 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.023 5.499 -9.086 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.307 4.341 -7.765 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.239 5.216 -7.864 1.00 0.00 H new ATOM 1387 N VAL A 93 0.977 3.911 -4.858 1.00 0.00 N ATOM 1388 CA VAL A 93 1.439 2.600 -4.407 1.00 0.00 C ATOM 1389 C VAL A 93 0.496 1.494 -4.885 1.00 0.00 C ATOM 1390 O VAL A 93 -0.725 1.664 -4.882 1.00 0.00 O ATOM 1391 CB VAL A 93 1.557 2.542 -2.867 1.00 0.00 C ATOM 1392 CG1 VAL A 93 0.204 2.785 -2.210 1.00 0.00 C ATOM 1393 CG2 VAL A 93 2.144 1.208 -2.422 1.00 0.00 C ATOM 0 H VAL A 93 -0.037 4.020 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 93 2.427 2.442 -4.840 1.00 0.00 H new ATOM 0 HB VAL A 93 2.234 3.335 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.312 2.739 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.168 3.769 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.502 2.021 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.219 1.188 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.498 0.396 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.136 1.084 -2.856 1.00 0.00 H new ATOM 1403 N GLU A 94 1.069 0.362 -5.298 1.00 0.00 N ATOM 1404 CA GLU A 94 0.275 -0.766 -5.778 1.00 0.00 C ATOM 1405 C GLU A 94 0.819 -2.089 -5.244 1.00 0.00 C ATOM 1406 O GLU A 94 2.030 -2.259 -5.088 1.00 0.00 O ATOM 1407 CB GLU A 94 0.257 -0.792 -7.309 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.033 0.562 -7.938 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.207 0.486 -9.441 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -1.159 -0.185 -9.895 1.00 0.00 O ATOM 1411 OE2 GLU A 94 0.606 1.097 -10.166 1.00 0.00 O ATOM 0 H GLU A 94 2.077 0.204 -5.309 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.743 -0.639 -5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.221 -1.152 -7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.495 -1.507 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.937 0.978 -7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.782 1.248 -7.705 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.090 -3.023 -4.963 1.00 0.00 N ATOM 1419 CA PHE A 95 0.283 -4.336 -4.442 1.00 0.00 C ATOM 1420 C PHE A 95 -0.290 -5.450 -5.321 1.00 0.00 C ATOM 1421 O PHE A 95 -1.490 -5.730 -5.279 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.214 -4.491 -3.002 1.00 0.00 C ATOM 1423 CG PHE A 95 0.260 -3.404 -2.075 1.00 0.00 C ATOM 1424 CD1 PHE A 95 1.570 -3.383 -1.622 1.00 0.00 C ATOM 1425 CD2 PHE A 95 -0.606 -2.407 -1.656 1.00 0.00 C ATOM 1426 CE1 PHE A 95 2.007 -2.386 -0.770 1.00 0.00 C ATOM 1427 CE2 PHE A 95 -0.175 -1.409 -0.802 1.00 0.00 C ATOM 1428 CZ PHE A 95 1.133 -1.397 -0.360 1.00 0.00 C ATOM 0 H PHE A 95 -1.094 -2.892 -5.089 1.00 0.00 H new ATOM 0 HA PHE A 95 1.370 -4.415 -4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.304 -4.505 -3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.116 -5.455 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.257 -4.154 -1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.630 -2.410 -2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.030 -2.380 -0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.861 -0.639 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.472 -0.616 0.305 1.00 0.00 H new ATOM 1438 N ILE A 96 0.577 -6.075 -6.124 1.00 0.00 N ATOM 1439 CA ILE A 96 0.159 -7.153 -7.022 1.00 0.00 C ATOM 1440 C ILE A 96 0.877 -8.463 -6.687 1.00 0.00 C ATOM 1441 O ILE A 96 2.091 -8.576 -6.861 1.00 0.00 O ATOM 1442 CB ILE A 96 0.429 -6.787 -8.502 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -0.094 -5.379 -8.808 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -0.213 -7.810 -9.434 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.214 -4.909 -10.214 1.00 0.00 C ATOM 0 H ILE A 96 1.571 -5.852 -6.170 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.913 -7.288 -6.879 1.00 0.00 H new ATOM 0 HB ILE A 96 1.506 -6.800 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.173 -5.361 -8.656 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.340 -4.677 -8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.012 -7.535 -10.470 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.203 -8.797 -9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.290 -7.830 -9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.186 -3.905 -10.358 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.293 -4.894 -10.364 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.243 -5.589 -10.933 1.00 0.00 H new ATOM 1457 N SER A 97 0.117 -9.447 -6.201 1.00 0.00 N ATOM 1458 CA SER A 97 0.676 -10.750 -5.833 1.00 0.00 C ATOM 1459 C SER A 97 0.885 -11.635 -7.063 1.00 0.00 C ATOM 1460 O SER A 97 -0.054 -11.901 -7.814 1.00 0.00 O ATOM 1461 CB SER A 97 -0.244 -11.462 -4.838 1.00 0.00 C ATOM 1462 OG SER A 97 -0.296 -10.765 -3.604 1.00 0.00 O ATOM 0 H SER A 97 -0.889 -9.366 -6.053 1.00 0.00 H new ATOM 0 HA SER A 97 1.646 -10.573 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.247 -11.541 -5.257 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.113 -12.478 -4.671 1.00 0.00 H new ATOM 0 HG SER A 97 -0.891 -11.238 -2.986 1.00 0.00 H new ATOM 1468 N THR A 98 2.126 -12.087 -7.256 1.00 0.00 N ATOM 1469 CA THR A 98 2.469 -12.942 -8.393 1.00 0.00 C ATOM 1470 C THR A 98 3.112 -14.268 -7.943 1.00 0.00 C ATOM 1471 O THR A 98 3.594 -15.035 -8.780 1.00 0.00 O ATOM 1472 CB THR A 98 3.414 -12.200 -9.347 1.00 0.00 C ATOM 1473 OG1 THR A 98 3.291 -10.794 -9.195 1.00 0.00 O ATOM 1474 CG2 THR A 98 3.165 -12.521 -10.805 1.00 0.00 C ATOM 0 H THR A 98 2.910 -11.875 -6.639 1.00 0.00 H new ATOM 0 HA THR A 98 1.541 -13.183 -8.912 1.00 0.00 H new ATOM 0 HB THR A 98 4.414 -12.540 -9.077 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.904 -10.343 -9.812 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.867 -11.963 -11.425 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.303 -13.589 -10.971 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.145 -12.242 -11.070 1.00 0.00 H new