USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 666 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 Single : A 3 SER OG : rot -19:sc= 0.423 USER MOD Single : A 6 TYR OH : rot -108:sc= -2.95! USER MOD Single : A 10 GLN : amide:sc= -10! C(o=-10!,f=-18!) USER MOD Single : A 12 ASN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.016) USER MOD Single : A 26 ASN :FLIP amide:sc= -5.78! C(o=-6.8!,f=-5.8!) USER MOD Single : A 28 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.23) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-1.4) USER MOD Single : A 34 HIS : no HE2:sc= -0.267 K(o=-0.27,f=-1.2) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0982 F(o=-0.9,f=-0.098) USER MOD Single : A 64 GLN : amide:sc= -3.53 K(o=-3.5,f=-6!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -125:sc= -8.62! USER MOD Single : A 76 ASN :FLIP amide:sc= -0.241! C(o=-2.2!,f=-0.24!) USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 3 -4.138 12.191 7.454 1.00 0.00 N ATOM 32 CA SER A 3 -3.946 12.517 6.011 1.00 0.00 C ATOM 33 C SER A 3 -2.669 11.855 5.500 1.00 0.00 C ATOM 34 O SER A 3 -2.198 12.152 4.420 1.00 0.00 O ATOM 35 CB SER A 3 -3.837 14.031 5.838 1.00 0.00 C ATOM 36 OG SER A 3 -2.991 14.558 6.850 1.00 0.00 O ATOM 0 HA SER A 3 -4.799 12.146 5.443 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.436 14.268 4.853 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.825 14.488 5.899 1.00 0.00 H new ATOM 0 HG SER A 3 -2.925 13.917 7.588 1.00 0.00 H new ATOM 42 N LEU A 4 -2.105 10.954 6.255 1.00 0.00 N ATOM 43 CA LEU A 4 -0.869 10.280 5.783 1.00 0.00 C ATOM 44 C LEU A 4 -1.102 8.768 5.747 1.00 0.00 C ATOM 45 O LEU A 4 -2.194 8.300 6.005 1.00 0.00 O ATOM 46 CB LEU A 4 0.302 10.606 6.713 1.00 0.00 C ATOM 47 CG LEU A 4 -0.215 10.835 8.135 1.00 0.00 C ATOM 48 CD1 LEU A 4 -0.645 9.500 8.743 1.00 0.00 C ATOM 49 CD2 LEU A 4 0.898 11.450 8.989 1.00 0.00 C ATOM 0 H LEU A 4 -2.445 10.659 7.170 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.625 10.636 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.023 9.789 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.824 11.495 6.358 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.069 11.512 8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.013 9.663 9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.437 9.062 8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.208 8.822 8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.531 11.614 10.002 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.751 10.773 9.017 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.205 12.402 8.556 1.00 0.00 H new ATOM 61 N VAL A 5 -0.101 7.994 5.415 1.00 0.00 N ATOM 62 CA VAL A 5 -0.310 6.521 5.355 1.00 0.00 C ATOM 63 C VAL A 5 1.004 5.787 5.517 1.00 0.00 C ATOM 64 O VAL A 5 2.072 6.347 5.375 1.00 0.00 O ATOM 65 CB VAL A 5 -0.917 6.157 3.994 1.00 0.00 C ATOM 66 CG1 VAL A 5 -0.432 7.144 2.934 1.00 0.00 C ATOM 67 CG2 VAL A 5 -0.527 4.734 3.564 1.00 0.00 C ATOM 0 H VAL A 5 0.840 8.315 5.186 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.980 6.229 6.164 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.002 6.205 4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.865 6.883 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.740 8.153 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.655 7.102 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.975 4.511 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.558 4.662 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.887 4.019 4.304 1.00 0.00 H new ATOM 77 N TYR A 6 0.924 4.515 5.771 1.00 0.00 N ATOM 78 CA TYR A 6 2.159 3.733 5.890 1.00 0.00 C ATOM 79 C TYR A 6 1.993 2.421 5.117 1.00 0.00 C ATOM 80 O TYR A 6 0.916 1.870 5.032 1.00 0.00 O ATOM 81 CB TYR A 6 2.468 3.463 7.372 1.00 0.00 C ATOM 82 CG TYR A 6 3.211 2.151 7.533 1.00 0.00 C ATOM 83 CD1 TYR A 6 2.508 0.939 7.512 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.599 2.150 7.706 1.00 0.00 C ATOM 85 CE1 TYR A 6 3.195 -0.271 7.666 1.00 0.00 C ATOM 86 CE2 TYR A 6 5.286 0.940 7.858 1.00 0.00 C ATOM 87 CZ TYR A 6 4.584 -0.271 7.839 1.00 0.00 C ATOM 88 OH TYR A 6 5.260 -1.464 7.990 1.00 0.00 O ATOM 0 H TYR A 6 0.057 3.993 5.899 1.00 0.00 H new ATOM 0 HA TYR A 6 2.996 4.290 5.468 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.067 4.278 7.778 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.540 3.434 7.943 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.436 0.938 7.377 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.141 3.084 7.722 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.653 -1.205 7.651 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.358 0.941 7.990 1.00 0.00 H new ATOM 0 HH TYR A 6 5.559 -1.555 8.919 1.00 0.00 H new ATOM 98 N ILE A 7 3.057 1.920 4.557 1.00 0.00 N ATOM 99 CA ILE A 7 2.976 0.646 3.794 1.00 0.00 C ATOM 100 C ILE A 7 4.370 0.046 3.737 1.00 0.00 C ATOM 101 O ILE A 7 5.341 0.748 3.556 1.00 0.00 O ATOM 102 CB ILE A 7 2.478 0.921 2.371 1.00 0.00 C ATOM 103 CG1 ILE A 7 3.614 1.507 1.523 1.00 0.00 C ATOM 104 CG2 ILE A 7 1.328 1.922 2.418 1.00 0.00 C ATOM 105 CD1 ILE A 7 4.386 0.372 0.848 1.00 0.00 C ATOM 0 H ILE A 7 3.985 2.341 4.596 1.00 0.00 H new ATOM 0 HA ILE A 7 2.282 -0.041 4.279 1.00 0.00 H new ATOM 0 HB ILE A 7 2.138 -0.015 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.208 2.183 0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.285 2.094 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.974 2.117 1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.513 1.512 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.674 2.853 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.193 0.789 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.804 -0.287 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.711 -0.196 0.208 1.00 0.00 H new ATOM 117 N ALA A 8 4.491 -1.235 3.887 1.00 0.00 N ATOM 118 CA ALA A 8 5.845 -1.834 3.839 1.00 0.00 C ATOM 119 C ALA A 8 5.895 -2.917 2.795 1.00 0.00 C ATOM 120 O ALA A 8 4.914 -3.227 2.147 1.00 0.00 O ATOM 121 CB ALA A 8 6.172 -2.482 5.170 1.00 0.00 C ATOM 0 H ALA A 8 3.722 -1.888 4.039 1.00 0.00 H new ATOM 0 HA ALA A 8 6.556 -1.041 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.169 -2.920 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.140 -1.730 5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.442 -3.263 5.384 1.00 0.00 H new ATOM 127 N PHE A 9 7.026 -3.534 2.665 1.00 0.00 N ATOM 128 CA PHE A 9 7.127 -4.633 1.703 1.00 0.00 C ATOM 129 C PHE A 9 7.995 -5.738 2.262 1.00 0.00 C ATOM 130 O PHE A 9 8.453 -5.690 3.386 1.00 0.00 O ATOM 131 CB PHE A 9 7.672 -4.158 0.365 1.00 0.00 C ATOM 132 CG PHE A 9 6.690 -4.632 -0.645 1.00 0.00 C ATOM 133 CD1 PHE A 9 5.397 -4.112 -0.621 1.00 0.00 C ATOM 134 CD2 PHE A 9 7.032 -5.642 -1.548 1.00 0.00 C ATOM 135 CE1 PHE A 9 4.437 -4.586 -1.505 1.00 0.00 C ATOM 136 CE2 PHE A 9 6.073 -6.117 -2.439 1.00 0.00 C ATOM 137 CZ PHE A 9 4.772 -5.590 -2.422 1.00 0.00 C ATOM 0 H PHE A 9 7.878 -3.321 3.184 1.00 0.00 H new ATOM 0 HA PHE A 9 6.122 -5.020 1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.768 -3.073 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.663 -4.570 0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.141 -3.338 0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.032 -6.051 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.436 -4.182 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.331 -6.893 -3.145 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.030 -5.958 -3.115 1.00 0.00 H new ATOM 147 N GLN A 10 8.182 -6.756 1.492 1.00 0.00 N ATOM 148 CA GLN A 10 8.986 -7.916 1.994 1.00 0.00 C ATOM 149 C GLN A 10 9.051 -9.046 0.949 1.00 0.00 C ATOM 150 O GLN A 10 8.152 -9.864 0.844 1.00 0.00 O ATOM 151 CB GLN A 10 8.309 -8.435 3.266 1.00 0.00 C ATOM 152 CG GLN A 10 9.216 -8.216 4.472 1.00 0.00 C ATOM 153 CD GLN A 10 10.403 -9.182 4.420 1.00 0.00 C ATOM 154 OE1 GLN A 10 11.305 -9.095 5.229 1.00 0.00 O ATOM 155 NE2 GLN A 10 10.447 -10.104 3.497 1.00 0.00 N ATOM 0 H GLN A 10 7.822 -6.848 0.542 1.00 0.00 H new ATOM 0 HA GLN A 10 10.007 -7.591 2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.360 -7.921 3.417 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.083 -9.496 3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.575 -7.187 4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.653 -8.369 5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.692 -10.180 2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.237 -10.748 3.457 1.00 0.00 H new ATOM 164 N ASP A 11 10.117 -9.111 0.193 1.00 0.00 N ATOM 165 CA ASP A 11 10.245 -10.193 -0.828 1.00 0.00 C ATOM 166 C ASP A 11 11.289 -11.215 -0.374 1.00 0.00 C ATOM 167 O ASP A 11 12.028 -10.989 0.564 1.00 0.00 O ATOM 168 CB ASP A 11 10.671 -9.582 -2.165 1.00 0.00 C ATOM 169 CG ASP A 11 9.927 -10.278 -3.306 1.00 0.00 C ATOM 170 OD1 ASP A 11 8.853 -9.816 -3.655 1.00 0.00 O ATOM 171 OD2 ASP A 11 10.442 -11.262 -3.811 1.00 0.00 O ATOM 0 H ASP A 11 10.903 -8.462 0.239 1.00 0.00 H new ATOM 0 HA ASP A 11 9.284 -10.694 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.454 -8.514 -2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.747 -9.690 -2.300 1.00 0.00 H new ATOM 176 N ASN A 12 11.349 -12.343 -1.029 1.00 0.00 N ATOM 177 CA ASN A 12 12.337 -13.386 -0.633 1.00 0.00 C ATOM 178 C ASN A 12 13.207 -13.762 -1.835 1.00 0.00 C ATOM 179 O ASN A 12 14.402 -13.542 -1.841 1.00 0.00 O ATOM 180 CB ASN A 12 11.590 -14.626 -0.137 1.00 0.00 C ATOM 181 CG ASN A 12 12.584 -15.615 0.473 1.00 0.00 C ATOM 182 OD1 ASN A 12 12.874 -15.554 1.652 1.00 0.00 O ATOM 183 ND2 ASN A 12 13.122 -16.532 -0.284 1.00 0.00 N ATOM 0 H ASN A 12 10.756 -12.587 -1.822 1.00 0.00 H new ATOM 0 HA ASN A 12 12.974 -12.997 0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.844 -14.341 0.605 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.055 -15.095 -0.963 1.00 0.00 H new ATOM 0 HD21 ASN A 12 13.785 -17.197 0.114 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.879 -16.584 -1.273 1.00 0.00 H new ATOM 190 N ASP A 13 12.619 -14.332 -2.851 1.00 0.00 N ATOM 191 CA ASP A 13 13.414 -14.728 -4.048 1.00 0.00 C ATOM 192 C ASP A 13 13.212 -13.698 -5.161 1.00 0.00 C ATOM 193 O ASP A 13 14.104 -13.431 -5.941 1.00 0.00 O ATOM 194 CB ASP A 13 12.949 -16.104 -4.531 1.00 0.00 C ATOM 195 CG ASP A 13 14.027 -16.728 -5.418 1.00 0.00 C ATOM 196 OD1 ASP A 13 15.193 -16.487 -5.157 1.00 0.00 O ATOM 197 OD2 ASP A 13 13.667 -17.437 -6.343 1.00 0.00 O ATOM 0 H ASP A 13 11.622 -14.541 -2.904 1.00 0.00 H new ATOM 0 HA ASP A 13 14.471 -14.772 -3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 13 12.747 -16.751 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 13 12.016 -16.009 -5.087 1.00 0.00 H new ATOM 202 N ASN A 14 12.049 -13.112 -5.235 1.00 0.00 N ATOM 203 CA ASN A 14 11.794 -12.094 -6.294 1.00 0.00 C ATOM 204 C ASN A 14 12.231 -10.720 -5.784 1.00 0.00 C ATOM 205 O ASN A 14 11.950 -9.704 -6.389 1.00 0.00 O ATOM 206 CB ASN A 14 10.302 -12.066 -6.633 1.00 0.00 C ATOM 207 CG ASN A 14 9.790 -13.498 -6.801 1.00 0.00 C ATOM 208 OD1 ASN A 14 10.223 -14.209 -7.686 1.00 0.00 O ATOM 209 ND2 ASN A 14 8.881 -13.953 -5.984 1.00 0.00 N ATOM 0 H ASN A 14 11.265 -13.293 -4.609 1.00 0.00 H new ATOM 0 HA ASN A 14 12.359 -12.349 -7.191 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.748 -11.561 -5.842 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.137 -11.500 -7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.533 -14.906 -6.088 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.518 -13.356 -5.241 1.00 0.00 H new ATOM 216 N ALA A 15 12.917 -10.681 -4.675 1.00 0.00 N ATOM 217 CA ALA A 15 13.374 -9.375 -4.124 1.00 0.00 C ATOM 218 C ALA A 15 14.255 -8.674 -5.157 1.00 0.00 C ATOM 219 O ALA A 15 14.501 -7.488 -5.076 1.00 0.00 O ATOM 220 CB ALA A 15 14.178 -9.610 -2.844 1.00 0.00 C ATOM 0 H ALA A 15 13.181 -11.499 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 15 12.508 -8.753 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.511 -8.653 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.551 -10.114 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.045 -10.231 -3.068 1.00 0.00 H new ATOM 226 N ARG A 16 14.730 -9.401 -6.131 1.00 0.00 N ATOM 227 CA ARG A 16 15.593 -8.777 -7.172 1.00 0.00 C ATOM 228 C ARG A 16 14.794 -7.705 -7.911 1.00 0.00 C ATOM 229 O ARG A 16 15.130 -6.538 -7.883 1.00 0.00 O ATOM 230 CB ARG A 16 16.053 -9.852 -8.162 1.00 0.00 C ATOM 231 CG ARG A 16 16.646 -9.191 -9.410 1.00 0.00 C ATOM 232 CD ARG A 16 17.988 -8.547 -9.063 1.00 0.00 C ATOM 233 NE ARG A 16 18.964 -8.799 -10.170 1.00 0.00 N ATOM 234 CZ ARG A 16 19.163 -10.004 -10.638 1.00 0.00 C ATOM 235 NH1 ARG A 16 18.657 -11.046 -10.033 1.00 0.00 N ATOM 236 NH2 ARG A 16 19.917 -10.171 -11.690 1.00 0.00 N ATOM 0 H ARG A 16 14.558 -10.399 -6.250 1.00 0.00 H new ATOM 0 HA ARG A 16 16.465 -8.321 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 16 16.796 -10.497 -7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 16 15.212 -10.486 -8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 16 16.780 -9.933 -10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.959 -8.438 -9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.861 -7.475 -8.913 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.369 -8.957 -8.128 1.00 0.00 H new ATOM 0 HE ARG A 16 19.484 -8.016 -10.567 1.00 0.00 H new ATOM 0 HH11 ARG A 16 18.100 -10.924 -9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.819 -11.981 -10.407 1.00 0.00 H new ATOM 0 HH21 ARG A 16 20.347 -9.364 -12.142 1.00 0.00 H new ATOM 0 HH22 ARG A 16 20.076 -11.108 -12.060 1.00 0.00 H new ATOM 250 N TYR A 17 13.737 -8.089 -8.571 1.00 0.00 N ATOM 251 CA TYR A 17 12.922 -7.083 -9.305 1.00 0.00 C ATOM 252 C TYR A 17 12.339 -6.094 -8.302 1.00 0.00 C ATOM 253 O TYR A 17 12.184 -4.923 -8.585 1.00 0.00 O ATOM 254 CB TYR A 17 11.793 -7.783 -10.057 1.00 0.00 C ATOM 255 CG TYR A 17 12.348 -8.398 -11.317 1.00 0.00 C ATOM 256 CD1 TYR A 17 12.939 -9.664 -11.271 1.00 0.00 C ATOM 257 CD2 TYR A 17 12.275 -7.701 -12.529 1.00 0.00 C ATOM 258 CE1 TYR A 17 13.457 -10.238 -12.438 1.00 0.00 C ATOM 259 CE2 TYR A 17 12.792 -8.274 -13.697 1.00 0.00 C ATOM 260 CZ TYR A 17 13.383 -9.543 -13.652 1.00 0.00 C ATOM 261 OH TYR A 17 13.894 -10.108 -14.803 1.00 0.00 O ATOM 0 H TYR A 17 13.404 -9.051 -8.634 1.00 0.00 H new ATOM 0 HA TYR A 17 13.548 -6.553 -10.023 1.00 0.00 H new ATOM 0 HB2 TYR A 17 11.343 -8.552 -9.429 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.005 -7.070 -10.302 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.996 -10.199 -10.335 1.00 0.00 H new ATOM 0 HD2 TYR A 17 11.820 -6.722 -12.563 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.913 -11.216 -12.402 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.735 -7.738 -14.633 1.00 0.00 H new ATOM 0 HH TYR A 17 13.760 -9.495 -15.556 1.00 0.00 H new ATOM 271 N VAL A 18 12.030 -6.555 -7.123 1.00 0.00 N ATOM 272 CA VAL A 18 11.478 -5.636 -6.095 1.00 0.00 C ATOM 273 C VAL A 18 12.502 -4.533 -5.845 1.00 0.00 C ATOM 274 O VAL A 18 12.161 -3.398 -5.581 1.00 0.00 O ATOM 275 CB VAL A 18 11.224 -6.412 -4.802 1.00 0.00 C ATOM 276 CG1 VAL A 18 10.870 -5.435 -3.680 1.00 0.00 C ATOM 277 CG2 VAL A 18 10.063 -7.386 -5.014 1.00 0.00 C ATOM 0 H VAL A 18 12.136 -7.526 -6.829 1.00 0.00 H new ATOM 0 HA VAL A 18 10.537 -5.203 -6.435 1.00 0.00 H new ATOM 0 HB VAL A 18 12.121 -6.967 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.689 -5.989 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.696 -4.740 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.972 -4.879 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.880 -7.940 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.166 -6.829 -5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.314 -8.083 -5.813 1.00 0.00 H new ATOM 287 N VAL A 19 13.760 -4.860 -5.951 1.00 0.00 N ATOM 288 CA VAL A 19 14.817 -3.835 -5.748 1.00 0.00 C ATOM 289 C VAL A 19 14.896 -2.981 -7.010 1.00 0.00 C ATOM 290 O VAL A 19 15.299 -1.836 -6.980 1.00 0.00 O ATOM 291 CB VAL A 19 16.160 -4.525 -5.508 1.00 0.00 C ATOM 292 CG1 VAL A 19 17.242 -3.470 -5.266 1.00 0.00 C ATOM 293 CG2 VAL A 19 16.052 -5.435 -4.283 1.00 0.00 C ATOM 0 H VAL A 19 14.101 -5.796 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 19 14.582 -3.213 -4.884 1.00 0.00 H new ATOM 0 HB VAL A 19 16.424 -5.120 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.199 -3.963 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.319 -2.821 -6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.980 -2.874 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 19 17.009 -5.928 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.788 -4.839 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.282 -6.187 -4.455 1.00 0.00 H new ATOM 303 N GLU A 20 14.498 -3.539 -8.122 1.00 0.00 N ATOM 304 CA GLU A 20 14.528 -2.777 -9.398 1.00 0.00 C ATOM 305 C GLU A 20 13.536 -1.618 -9.305 1.00 0.00 C ATOM 306 O GLU A 20 13.882 -0.468 -9.511 1.00 0.00 O ATOM 307 CB GLU A 20 14.133 -3.704 -10.550 1.00 0.00 C ATOM 308 CG GLU A 20 13.945 -2.883 -11.827 1.00 0.00 C ATOM 309 CD GLU A 20 15.160 -1.978 -12.035 1.00 0.00 C ATOM 310 OE1 GLU A 20 15.201 -0.924 -11.421 1.00 0.00 O ATOM 311 OE2 GLU A 20 16.029 -2.354 -12.804 1.00 0.00 O ATOM 0 H GLU A 20 14.152 -4.495 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 20 15.530 -2.388 -9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 20 14.903 -4.461 -10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.211 -4.232 -10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.821 -3.546 -12.683 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.038 -2.282 -11.755 1.00 0.00 H new ATOM 318 N ALA A 21 12.305 -1.906 -8.980 1.00 0.00 N ATOM 319 CA ALA A 21 11.302 -0.816 -8.859 1.00 0.00 C ATOM 320 C ALA A 21 11.669 0.051 -7.656 1.00 0.00 C ATOM 321 O ALA A 21 11.654 1.264 -7.723 1.00 0.00 O ATOM 322 CB ALA A 21 9.910 -1.419 -8.657 1.00 0.00 C ATOM 0 H ALA A 21 11.954 -2.845 -8.794 1.00 0.00 H new ATOM 0 HA ALA A 21 11.296 -0.211 -9.765 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.176 -0.618 -8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.659 -2.049 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.902 -2.020 -7.748 1.00 0.00 H new ATOM 328 N ILE A 22 12.016 -0.566 -6.560 1.00 0.00 N ATOM 329 CA ILE A 22 12.401 0.214 -5.351 1.00 0.00 C ATOM 330 C ILE A 22 13.512 1.192 -5.740 1.00 0.00 C ATOM 331 O ILE A 22 13.627 2.266 -5.187 1.00 0.00 O ATOM 332 CB ILE A 22 12.887 -0.755 -4.255 1.00 0.00 C ATOM 333 CG1 ILE A 22 11.716 -1.105 -3.331 1.00 0.00 C ATOM 334 CG2 ILE A 22 14.002 -0.117 -3.415 1.00 0.00 C ATOM 335 CD1 ILE A 22 10.661 -1.900 -4.103 1.00 0.00 C ATOM 0 H ILE A 22 12.049 -1.579 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 22 11.549 0.773 -4.965 1.00 0.00 H new ATOM 0 HB ILE A 22 13.275 -1.652 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 22 12.073 -1.688 -2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.274 -0.193 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 22 14.328 -0.820 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 22 14.845 0.134 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 22 13.626 0.789 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.832 -2.145 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.293 -1.302 -4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.105 -2.820 -4.484 1.00 0.00 H new ATOM 347 N ILE A 23 14.328 0.828 -6.690 1.00 0.00 N ATOM 348 CA ILE A 23 15.423 1.743 -7.115 1.00 0.00 C ATOM 349 C ILE A 23 14.812 2.935 -7.854 1.00 0.00 C ATOM 350 O ILE A 23 15.207 4.066 -7.658 1.00 0.00 O ATOM 351 CB ILE A 23 16.394 0.991 -8.035 1.00 0.00 C ATOM 352 CG1 ILE A 23 17.350 0.151 -7.184 1.00 0.00 C ATOM 353 CG2 ILE A 23 17.207 1.986 -8.868 1.00 0.00 C ATOM 354 CD1 ILE A 23 17.952 -0.964 -8.042 1.00 0.00 C ATOM 0 H ILE A 23 14.284 -0.061 -7.189 1.00 0.00 H new ATOM 0 HA ILE A 23 15.972 2.099 -6.243 1.00 0.00 H new ATOM 0 HB ILE A 23 15.823 0.345 -8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 23 18.142 0.781 -6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.817 -0.277 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.893 1.442 -9.517 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.532 2.588 -9.476 1.00 0.00 H new ATOM 0 HG23 ILE A 23 17.776 2.637 -8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 23 18.633 -1.562 -7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 23 17.154 -1.600 -8.425 1.00 0.00 H new ATOM 0 HD13 ILE A 23 18.499 -0.526 -8.877 1.00 0.00 H new ATOM 366 N GLN A 24 13.849 2.694 -8.700 1.00 0.00 N ATOM 367 CA GLN A 24 13.216 3.822 -9.441 1.00 0.00 C ATOM 368 C GLN A 24 12.027 4.356 -8.641 1.00 0.00 C ATOM 369 O GLN A 24 11.307 5.226 -9.089 1.00 0.00 O ATOM 370 CB GLN A 24 12.736 3.332 -10.809 1.00 0.00 C ATOM 371 CG GLN A 24 13.479 4.090 -11.911 1.00 0.00 C ATOM 372 CD GLN A 24 12.472 4.633 -12.926 1.00 0.00 C ATOM 373 OE1 GLN A 24 12.558 5.774 -13.335 1.00 0.00 O ATOM 374 NE2 GLN A 24 11.512 3.858 -13.353 1.00 0.00 N ATOM 0 H GLN A 24 13.474 1.769 -8.910 1.00 0.00 H new ATOM 0 HA GLN A 24 13.946 4.619 -9.579 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.913 2.261 -10.906 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.662 3.487 -10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.054 4.909 -11.479 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.190 3.428 -12.406 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.439 2.900 -13.010 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.835 4.210 -14.029 1.00 0.00 H new ATOM 383 N ASP A 25 11.818 3.849 -7.457 1.00 0.00 N ATOM 384 CA ASP A 25 10.681 4.337 -6.627 1.00 0.00 C ATOM 385 C ASP A 25 11.224 4.943 -5.332 1.00 0.00 C ATOM 386 O ASP A 25 10.510 5.586 -4.589 1.00 0.00 O ATOM 387 CB ASP A 25 9.757 3.167 -6.283 1.00 0.00 C ATOM 388 CG ASP A 25 8.431 3.323 -7.030 1.00 0.00 C ATOM 389 OD1 ASP A 25 8.350 4.198 -7.877 1.00 0.00 O ATOM 390 OD2 ASP A 25 7.519 2.564 -6.743 1.00 0.00 O ATOM 0 H ASP A 25 12.386 3.118 -7.029 1.00 0.00 H new ATOM 0 HA ASP A 25 10.124 5.091 -7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.231 2.224 -6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.579 3.135 -5.208 1.00 0.00 H new ATOM 395 N ASN A 26 12.480 4.731 -5.052 1.00 0.00 N ATOM 396 CA ASN A 26 13.071 5.283 -3.799 1.00 0.00 C ATOM 397 C ASN A 26 13.542 6.724 -4.021 1.00 0.00 C ATOM 398 O ASN A 26 13.005 7.639 -3.432 1.00 0.00 O ATOM 399 CB ASN A 26 14.257 4.420 -3.375 1.00 0.00 C ATOM 400 CG ASN A 26 13.762 3.258 -2.511 1.00 0.00 C ATOM 401 OD1 ASN A 26 12.622 2.689 -2.797 1.00 0.00 O flip ATOM 402 ND2 ASN A 26 14.417 2.865 -1.566 1.00 0.00 N flip ATOM 0 H ASN A 26 13.124 4.199 -5.637 1.00 0.00 H new ATOM 0 HA ASN A 26 12.311 5.277 -3.018 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.775 4.038 -4.255 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.976 5.020 -2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.307 3.309 -1.343 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.076 2.091 -0.996 1.00 0.00 H new ATOM 409 N PRO A 27 14.539 6.884 -4.859 1.00 0.00 N ATOM 410 CA PRO A 27 15.045 8.256 -5.106 1.00 0.00 C ATOM 411 C PRO A 27 13.875 9.235 -5.213 1.00 0.00 C ATOM 412 O PRO A 27 14.003 10.406 -4.915 1.00 0.00 O ATOM 413 CB PRO A 27 15.806 8.190 -6.434 1.00 0.00 C ATOM 414 CG PRO A 27 15.713 6.742 -6.953 1.00 0.00 C ATOM 415 CD PRO A 27 14.888 5.938 -5.940 1.00 0.00 C ATOM 0 HA PRO A 27 15.687 8.601 -4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 27 15.376 8.884 -7.156 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.847 8.480 -6.293 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.242 6.717 -7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 27 16.708 6.311 -7.065 1.00 0.00 H new ATOM 0 HD2 PRO A 27 13.991 5.528 -6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.460 5.095 -5.552 1.00 0.00 H new ATOM 423 N HIS A 28 12.735 8.762 -5.635 1.00 0.00 N ATOM 424 CA HIS A 28 11.555 9.662 -5.757 1.00 0.00 C ATOM 425 C HIS A 28 10.656 9.503 -4.527 1.00 0.00 C ATOM 426 O HIS A 28 10.023 10.441 -4.086 1.00 0.00 O ATOM 427 CB HIS A 28 10.764 9.292 -7.013 1.00 0.00 C ATOM 428 CG HIS A 28 10.183 10.535 -7.628 1.00 0.00 C ATOM 429 ND1 HIS A 28 9.435 10.501 -8.793 1.00 0.00 N ATOM 430 CD2 HIS A 28 10.235 11.854 -7.252 1.00 0.00 C ATOM 431 CE1 HIS A 28 9.069 11.765 -9.076 1.00 0.00 C ATOM 432 NE2 HIS A 28 9.530 12.629 -8.169 1.00 0.00 N ATOM 0 H HIS A 28 12.570 7.791 -5.901 1.00 0.00 H new ATOM 0 HA HIS A 28 11.894 10.696 -5.826 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.414 8.789 -7.729 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.967 8.593 -6.760 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.745 12.233 -6.378 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.475 12.046 -9.933 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.395 13.640 -8.151 1.00 0.00 H new ATOM 440 N ALA A 29 10.586 8.320 -3.973 1.00 0.00 N ATOM 441 CA ALA A 29 9.715 8.111 -2.779 1.00 0.00 C ATOM 442 C ALA A 29 10.563 8.072 -1.504 1.00 0.00 C ATOM 443 O ALA A 29 11.774 8.139 -1.546 1.00 0.00 O ATOM 444 CB ALA A 29 8.959 6.789 -2.926 1.00 0.00 C ATOM 0 H ALA A 29 11.091 7.494 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 29 9.007 8.937 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.322 6.635 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.343 6.820 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.672 5.969 -3.004 1.00 0.00 H new ATOM 450 N VAL A 30 9.929 7.957 -0.369 1.00 0.00 N ATOM 451 CA VAL A 30 10.689 7.902 0.911 1.00 0.00 C ATOM 452 C VAL A 30 10.774 6.447 1.379 1.00 0.00 C ATOM 453 O VAL A 30 10.032 5.598 0.925 1.00 0.00 O ATOM 454 CB VAL A 30 9.970 8.739 1.969 1.00 0.00 C ATOM 455 CG1 VAL A 30 10.975 9.202 3.026 1.00 0.00 C ATOM 456 CG2 VAL A 30 9.333 9.961 1.302 1.00 0.00 C ATOM 0 H VAL A 30 8.915 7.899 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 30 11.693 8.299 0.761 1.00 0.00 H new ATOM 0 HB VAL A 30 9.196 8.137 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.461 9.799 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.431 8.333 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.750 9.805 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.819 10.560 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.109 10.562 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.617 9.632 0.549 1.00 0.00 H new ATOM 466 N VAL A 31 11.671 6.146 2.278 1.00 0.00 N ATOM 467 CA VAL A 31 11.793 4.742 2.760 1.00 0.00 C ATOM 468 C VAL A 31 12.719 4.690 3.976 1.00 0.00 C ATOM 469 O VAL A 31 13.419 5.636 4.278 1.00 0.00 O ATOM 470 CB VAL A 31 12.369 3.878 1.638 1.00 0.00 C ATOM 471 CG1 VAL A 31 13.567 4.592 1.011 1.00 0.00 C ATOM 472 CG2 VAL A 31 12.818 2.526 2.200 1.00 0.00 C ATOM 0 H VAL A 31 12.322 6.809 2.698 1.00 0.00 H new ATOM 0 HA VAL A 31 10.810 4.367 3.046 1.00 0.00 H new ATOM 0 HB VAL A 31 11.602 3.714 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.979 3.977 0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.247 5.551 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.331 4.757 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.227 1.915 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.583 2.684 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.964 2.015 2.645 1.00 0.00 H new ATOM 482 N GLN A 32 12.726 3.588 4.675 1.00 0.00 N ATOM 483 CA GLN A 32 13.606 3.467 5.873 1.00 0.00 C ATOM 484 C GLN A 32 13.572 2.026 6.391 1.00 0.00 C ATOM 485 O GLN A 32 13.098 1.759 7.478 1.00 0.00 O ATOM 486 CB GLN A 32 13.106 4.412 6.968 1.00 0.00 C ATOM 487 CG GLN A 32 11.633 4.121 7.262 1.00 0.00 C ATOM 488 CD GLN A 32 10.873 5.440 7.411 1.00 0.00 C ATOM 489 OE1 GLN A 32 10.245 5.902 6.479 1.00 0.00 O ATOM 490 NE2 GLN A 32 10.905 6.072 8.553 1.00 0.00 N ATOM 0 H GLN A 32 12.160 2.765 4.468 1.00 0.00 H new ATOM 0 HA GLN A 32 14.628 3.731 5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 32 13.700 4.284 7.873 1.00 0.00 H new ATOM 0 HB3 GLN A 32 13.227 5.448 6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.200 3.529 6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.543 3.532 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.432 5.685 9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.403 6.953 8.663 1.00 0.00 H new ATOM 499 N HIS A 33 14.066 1.094 5.621 1.00 0.00 N ATOM 500 CA HIS A 33 14.057 -0.326 6.065 1.00 0.00 C ATOM 501 C HIS A 33 15.446 -0.718 6.580 1.00 0.00 C ATOM 502 O HIS A 33 16.369 0.073 6.569 1.00 0.00 O ATOM 503 CB HIS A 33 13.687 -1.213 4.877 1.00 0.00 C ATOM 504 CG HIS A 33 14.831 -1.248 3.900 1.00 0.00 C ATOM 505 ND1 HIS A 33 15.858 -2.173 3.998 1.00 0.00 N ATOM 506 CD2 HIS A 33 15.122 -0.480 2.801 1.00 0.00 C ATOM 507 CE1 HIS A 33 16.712 -1.941 2.985 1.00 0.00 C ATOM 508 NE2 HIS A 33 16.311 -0.919 2.224 1.00 0.00 N ATOM 0 H HIS A 33 14.476 1.257 4.701 1.00 0.00 H new ATOM 0 HA HIS A 33 13.330 -0.454 6.867 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.457 -2.222 5.220 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.790 -0.830 4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 33 14.520 0.340 2.438 1.00 0.00 H new ATOM 0 HE1 HIS A 33 17.612 -2.511 2.808 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.776 -0.541 1.398 1.00 0.00 H new ATOM 516 N HIS A 34 15.602 -1.936 7.026 1.00 0.00 N ATOM 517 CA HIS A 34 16.931 -2.381 7.533 1.00 0.00 C ATOM 518 C HIS A 34 17.030 -3.909 7.444 1.00 0.00 C ATOM 519 O HIS A 34 17.864 -4.431 6.731 1.00 0.00 O ATOM 520 CB HIS A 34 17.105 -1.933 8.985 1.00 0.00 C ATOM 521 CG HIS A 34 18.184 -0.888 9.061 1.00 0.00 C ATOM 522 ND1 HIS A 34 17.931 0.453 8.822 1.00 0.00 N ATOM 523 CD2 HIS A 34 19.525 -0.973 9.343 1.00 0.00 C ATOM 524 CE1 HIS A 34 19.094 1.116 8.962 1.00 0.00 C ATOM 525 NE2 HIS A 34 20.097 0.294 9.280 1.00 0.00 N ATOM 0 H HIS A 34 14.866 -2.641 7.061 1.00 0.00 H new ATOM 0 HA HIS A 34 17.718 -1.935 6.925 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.167 -1.531 9.368 1.00 0.00 H new ATOM 0 HB3 HIS A 34 17.365 -2.786 9.611 1.00 0.00 H new ATOM 0 HD1 HIS A 34 17.028 0.863 8.583 1.00 0.00 H new ATOM 0 HD2 HIS A 34 20.055 -1.884 9.578 1.00 0.00 H new ATOM 0 HE1 HIS A 34 19.203 2.183 8.833 1.00 0.00 H new ATOM 533 N PRO A 35 16.171 -4.581 8.169 1.00 0.00 N ATOM 534 CA PRO A 35 16.215 -6.062 8.119 1.00 0.00 C ATOM 535 C PRO A 35 15.780 -6.550 6.735 1.00 0.00 C ATOM 536 O PRO A 35 15.665 -5.780 5.803 1.00 0.00 O ATOM 537 CB PRO A 35 15.221 -6.546 9.181 1.00 0.00 C ATOM 538 CG PRO A 35 14.535 -5.301 9.778 1.00 0.00 C ATOM 539 CD PRO A 35 15.180 -4.064 9.140 1.00 0.00 C ATOM 0 HA PRO A 35 17.219 -6.442 8.305 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.483 -7.215 8.738 1.00 0.00 H new ATOM 0 HB3 PRO A 35 15.736 -7.110 9.959 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.464 -5.321 9.577 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.656 -5.280 10.861 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.432 -3.445 8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.660 -3.440 9.894 1.00 0.00 H new ATOM 547 N ALA A 36 15.528 -7.824 6.596 1.00 0.00 N ATOM 548 CA ALA A 36 15.090 -8.352 5.275 1.00 0.00 C ATOM 549 C ALA A 36 13.774 -7.683 4.885 1.00 0.00 C ATOM 550 O ALA A 36 13.351 -7.734 3.747 1.00 0.00 O ATOM 551 CB ALA A 36 14.876 -9.864 5.370 1.00 0.00 C ATOM 0 H ALA A 36 15.607 -8.519 7.339 1.00 0.00 H new ATOM 0 HA ALA A 36 15.853 -8.141 4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.555 -10.248 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.810 -10.346 5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.110 -10.077 6.116 1.00 0.00 H new ATOM 557 N MET A 37 13.119 -7.058 5.825 1.00 0.00 N ATOM 558 CA MET A 37 11.828 -6.390 5.511 1.00 0.00 C ATOM 559 C MET A 37 12.097 -5.017 4.895 1.00 0.00 C ATOM 560 O MET A 37 12.931 -4.270 5.366 1.00 0.00 O ATOM 561 CB MET A 37 11.011 -6.222 6.795 1.00 0.00 C ATOM 562 CG MET A 37 10.662 -7.598 7.367 1.00 0.00 C ATOM 563 SD MET A 37 9.699 -7.391 8.886 1.00 0.00 S ATOM 564 CE MET A 37 8.058 -7.433 8.122 1.00 0.00 C ATOM 0 H MET A 37 13.423 -6.982 6.796 1.00 0.00 H new ATOM 0 HA MET A 37 11.269 -7.002 4.803 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.579 -5.647 7.526 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.099 -5.662 6.587 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.092 -8.173 6.638 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.573 -8.160 7.574 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.295 -7.320 8.892 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.971 -6.619 7.403 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.919 -8.386 7.611 1.00 0.00 H new ATOM 574 N ILE A 38 11.401 -4.677 3.842 1.00 0.00 N ATOM 575 CA ILE A 38 11.631 -3.350 3.203 1.00 0.00 C ATOM 576 C ILE A 38 10.374 -2.484 3.373 1.00 0.00 C ATOM 577 O ILE A 38 9.530 -2.404 2.503 1.00 0.00 O ATOM 578 CB ILE A 38 11.946 -3.581 1.725 1.00 0.00 C ATOM 579 CG1 ILE A 38 10.684 -4.110 1.023 1.00 0.00 C ATOM 580 CG2 ILE A 38 13.082 -4.608 1.626 1.00 0.00 C ATOM 581 CD1 ILE A 38 11.040 -5.144 -0.055 1.00 0.00 C ATOM 0 H ILE A 38 10.688 -5.257 3.400 1.00 0.00 H new ATOM 0 HA ILE A 38 12.467 -2.829 3.669 1.00 0.00 H new ATOM 0 HB ILE A 38 12.254 -2.652 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.018 -4.562 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 38 10.142 -3.280 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.321 -4.786 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.964 -4.225 2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.769 -5.543 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.128 -5.500 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.686 -4.683 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.560 -5.985 0.405 1.00 0.00 H new ATOM 593 N ARG A 39 10.237 -1.854 4.511 1.00 0.00 N ATOM 594 CA ARG A 39 9.028 -1.018 4.777 1.00 0.00 C ATOM 595 C ARG A 39 9.128 0.342 4.077 1.00 0.00 C ATOM 596 O ARG A 39 10.176 0.740 3.608 1.00 0.00 O ATOM 597 CB ARG A 39 8.899 -0.799 6.286 1.00 0.00 C ATOM 598 CG ARG A 39 9.296 -2.080 7.025 1.00 0.00 C ATOM 599 CD ARG A 39 8.159 -2.512 7.951 1.00 0.00 C ATOM 600 NE ARG A 39 8.619 -2.449 9.374 1.00 0.00 N ATOM 601 CZ ARG A 39 9.753 -2.988 9.747 1.00 0.00 C ATOM 602 NH1 ARG A 39 10.427 -3.759 8.934 1.00 0.00 N ATOM 603 NH2 ARG A 39 10.184 -2.802 10.964 1.00 0.00 N ATOM 0 H ARG A 39 10.915 -1.883 5.272 1.00 0.00 H new ATOM 0 HA ARG A 39 8.153 -1.539 4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.537 0.027 6.600 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.875 -0.524 6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.516 -2.872 6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.205 -1.912 7.603 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.294 -1.864 7.809 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.841 -3.525 7.705 1.00 0.00 H new ATOM 0 HE ARG A 39 8.038 -1.977 10.067 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.071 -3.947 7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.309 -4.172 9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.639 -2.240 11.618 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.066 -3.219 11.262 1.00 0.00 H new ATOM 617 N ILE A 40 8.033 1.062 4.018 1.00 0.00 N ATOM 618 CA ILE A 40 8.041 2.401 3.366 1.00 0.00 C ATOM 619 C ILE A 40 6.991 3.285 4.044 1.00 0.00 C ATOM 620 O ILE A 40 6.038 2.798 4.619 1.00 0.00 O ATOM 621 CB ILE A 40 7.705 2.253 1.880 1.00 0.00 C ATOM 622 CG1 ILE A 40 8.803 1.445 1.187 1.00 0.00 C ATOM 623 CG2 ILE A 40 7.613 3.638 1.236 1.00 0.00 C ATOM 624 CD1 ILE A 40 8.399 1.179 -0.263 1.00 0.00 C ATOM 0 H ILE A 40 7.131 0.774 4.397 1.00 0.00 H new ATOM 0 HA ILE A 40 9.028 2.854 3.464 1.00 0.00 H new ATOM 0 HB ILE A 40 6.750 1.738 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.746 1.990 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.962 0.502 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.374 3.532 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.832 4.217 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.568 4.153 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.181 0.603 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.466 0.617 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.262 2.127 -0.782 1.00 0.00 H new ATOM 636 N GLU A 41 7.155 4.578 3.988 1.00 0.00 N ATOM 637 CA GLU A 41 6.162 5.480 4.639 1.00 0.00 C ATOM 638 C GLU A 41 5.745 6.578 3.660 1.00 0.00 C ATOM 639 O GLU A 41 6.525 7.025 2.842 1.00 0.00 O ATOM 640 CB GLU A 41 6.791 6.119 5.880 1.00 0.00 C ATOM 641 CG GLU A 41 5.692 6.708 6.766 1.00 0.00 C ATOM 642 CD GLU A 41 5.990 6.387 8.232 1.00 0.00 C ATOM 643 OE1 GLU A 41 6.672 5.405 8.476 1.00 0.00 O ATOM 644 OE2 GLU A 41 5.532 7.129 9.086 1.00 0.00 O ATOM 0 H GLU A 41 7.931 5.048 3.521 1.00 0.00 H new ATOM 0 HA GLU A 41 5.285 4.901 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.360 5.374 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.491 6.900 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.635 7.787 6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.723 6.297 6.483 1.00 0.00 H new ATOM 651 N ALA A 42 4.520 7.019 3.742 1.00 0.00 N ATOM 652 CA ALA A 42 4.048 8.090 2.824 1.00 0.00 C ATOM 653 C ALA A 42 3.089 9.004 3.583 1.00 0.00 C ATOM 654 O ALA A 42 2.934 8.894 4.783 1.00 0.00 O ATOM 655 CB ALA A 42 3.321 7.463 1.632 1.00 0.00 C ATOM 0 H ALA A 42 3.825 6.682 4.408 1.00 0.00 H new ATOM 0 HA ALA A 42 4.899 8.665 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.976 8.250 0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.003 6.802 1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.465 6.889 1.988 1.00 0.00 H new ATOM 661 N GLU A 43 2.443 9.903 2.898 1.00 0.00 N ATOM 662 CA GLU A 43 1.496 10.815 3.589 1.00 0.00 C ATOM 663 C GLU A 43 0.510 11.397 2.570 1.00 0.00 C ATOM 664 O GLU A 43 0.830 12.329 1.861 1.00 0.00 O ATOM 665 CB GLU A 43 2.273 11.959 4.241 1.00 0.00 C ATOM 666 CG GLU A 43 3.239 11.398 5.284 1.00 0.00 C ATOM 667 CD GLU A 43 3.894 12.553 6.042 1.00 0.00 C ATOM 668 OE1 GLU A 43 3.185 13.248 6.750 1.00 0.00 O ATOM 669 OE2 GLU A 43 5.093 12.724 5.899 1.00 0.00 O ATOM 0 H GLU A 43 2.530 10.045 1.892 1.00 0.00 H new ATOM 0 HA GLU A 43 0.951 10.258 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.824 12.515 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.582 12.659 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.705 10.749 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.001 10.788 4.799 1.00 0.00 H new ATOM 676 N LYS A 44 -0.682 10.863 2.477 1.00 0.00 N ATOM 677 CA LYS A 44 -1.645 11.418 1.483 1.00 0.00 C ATOM 678 C LYS A 44 -3.084 10.988 1.808 1.00 0.00 C ATOM 679 O LYS A 44 -3.469 10.879 2.954 1.00 0.00 O ATOM 680 CB LYS A 44 -1.253 10.924 0.089 1.00 0.00 C ATOM 681 CG LYS A 44 -1.440 12.051 -0.930 1.00 0.00 C ATOM 682 CD LYS A 44 -0.219 12.115 -1.852 1.00 0.00 C ATOM 683 CE LYS A 44 0.802 13.100 -1.280 1.00 0.00 C ATOM 684 NZ LYS A 44 0.597 14.443 -1.895 1.00 0.00 N ATOM 0 H LYS A 44 -1.024 10.081 3.036 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.607 12.507 1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.215 10.590 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.864 10.065 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.343 11.879 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.570 13.003 -0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.229 11.126 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.521 12.427 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.694 13.164 -0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.814 12.748 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.291 15.113 -1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.721 14.376 -2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.364 14.779 -1.683 1.00 0.00 H new ATOM 698 N ARG A 45 -3.885 10.764 0.797 1.00 0.00 N ATOM 699 CA ARG A 45 -5.302 10.369 1.024 1.00 0.00 C ATOM 700 C ARG A 45 -5.875 9.755 -0.261 1.00 0.00 C ATOM 701 O ARG A 45 -5.375 9.986 -1.344 1.00 0.00 O ATOM 702 CB ARG A 45 -6.116 11.611 1.394 1.00 0.00 C ATOM 703 CG ARG A 45 -5.867 12.714 0.364 1.00 0.00 C ATOM 704 CD ARG A 45 -6.135 14.077 1.002 1.00 0.00 C ATOM 705 NE ARG A 45 -7.383 14.668 0.423 1.00 0.00 N ATOM 706 CZ ARG A 45 -7.576 14.714 -0.871 1.00 0.00 C ATOM 707 NH1 ARG A 45 -6.607 14.429 -1.702 1.00 0.00 N ATOM 708 NH2 ARG A 45 -8.730 15.106 -1.339 1.00 0.00 N ATOM 0 H ARG A 45 -3.612 10.839 -0.183 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.353 9.638 1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.177 11.365 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.836 11.958 2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.839 12.665 0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.515 12.572 -0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.239 13.970 2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.290 14.744 0.827 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.096 15.042 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.688 14.167 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.770 14.468 -2.708 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.476 15.375 -0.697 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.886 15.144 -2.346 1.00 0.00 H new ATOM 722 N LEU A 46 -6.935 8.994 -0.155 1.00 0.00 N ATOM 723 CA LEU A 46 -7.555 8.390 -1.373 1.00 0.00 C ATOM 724 C LEU A 46 -9.030 8.761 -1.392 1.00 0.00 C ATOM 725 O LEU A 46 -9.490 9.510 -0.562 1.00 0.00 O ATOM 726 CB LEU A 46 -7.458 6.869 -1.339 1.00 0.00 C ATOM 727 CG LEU A 46 -6.574 6.379 -2.490 1.00 0.00 C ATOM 728 CD1 LEU A 46 -6.480 4.852 -2.457 1.00 0.00 C ATOM 729 CD2 LEU A 46 -7.179 6.823 -3.821 1.00 0.00 C ATOM 0 H LEU A 46 -7.398 8.765 0.724 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.031 8.763 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.043 6.543 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.452 6.430 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.576 6.803 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.850 4.508 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.046 4.535 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.477 4.424 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.550 6.475 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.178 6.401 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.240 7.911 -3.848 1.00 0.00 H new ATOM 741 N GLU A 47 -9.782 8.228 -2.312 1.00 0.00 N ATOM 742 CA GLU A 47 -11.232 8.549 -2.354 1.00 0.00 C ATOM 743 C GLU A 47 -11.891 7.780 -3.504 1.00 0.00 C ATOM 744 O GLU A 47 -11.317 7.623 -4.563 1.00 0.00 O ATOM 745 CB GLU A 47 -11.414 10.051 -2.573 1.00 0.00 C ATOM 746 CG GLU A 47 -10.349 10.555 -3.550 1.00 0.00 C ATOM 747 CD GLU A 47 -10.736 11.946 -4.058 1.00 0.00 C ATOM 748 OE1 GLU A 47 -11.702 12.492 -3.553 1.00 0.00 O ATOM 749 OE2 GLU A 47 -10.058 12.440 -4.944 1.00 0.00 O ATOM 0 H GLU A 47 -9.456 7.586 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.697 8.261 -1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.410 10.254 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.332 10.581 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.378 10.594 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.253 9.864 -4.388 1.00 0.00 H new ATOM 756 N ILE A 48 -13.089 7.301 -3.308 1.00 0.00 N ATOM 757 CA ILE A 48 -13.776 6.543 -4.399 1.00 0.00 C ATOM 758 C ILE A 48 -15.282 6.515 -4.134 1.00 0.00 C ATOM 759 O ILE A 48 -15.804 7.296 -3.366 1.00 0.00 O ATOM 760 CB ILE A 48 -13.253 5.099 -4.464 1.00 0.00 C ATOM 761 CG1 ILE A 48 -12.091 4.907 -3.484 1.00 0.00 C ATOM 762 CG2 ILE A 48 -12.769 4.796 -5.884 1.00 0.00 C ATOM 763 CD1 ILE A 48 -11.844 3.413 -3.273 1.00 0.00 C ATOM 0 H ILE A 48 -13.622 7.400 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.572 7.040 -5.347 1.00 0.00 H new ATOM 0 HB ILE A 48 -14.062 4.420 -4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -11.191 5.384 -3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.321 5.387 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -12.398 3.772 -5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -13.596 4.915 -6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -11.967 5.485 -6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.017 3.276 -2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -12.743 2.950 -2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.596 2.947 -4.227 1.00 0.00 H new ATOM 775 N ARG A 49 -15.983 5.614 -4.766 1.00 0.00 N ATOM 776 CA ARG A 49 -17.454 5.524 -4.553 1.00 0.00 C ATOM 777 C ARG A 49 -17.751 4.384 -3.577 1.00 0.00 C ATOM 778 O ARG A 49 -16.860 3.837 -2.960 1.00 0.00 O ATOM 779 CB ARG A 49 -18.146 5.242 -5.888 1.00 0.00 C ATOM 780 CG ARG A 49 -17.935 6.423 -6.836 1.00 0.00 C ATOM 781 CD ARG A 49 -18.352 6.021 -8.250 1.00 0.00 C ATOM 782 NE ARG A 49 -17.170 6.100 -9.164 1.00 0.00 N ATOM 783 CZ ARG A 49 -16.405 7.162 -9.195 1.00 0.00 C ATOM 784 NH1 ARG A 49 -16.755 8.257 -8.571 1.00 0.00 N ATOM 785 NH2 ARG A 49 -15.308 7.145 -9.901 1.00 0.00 N ATOM 0 H ARG A 49 -15.599 4.935 -5.423 1.00 0.00 H new ATOM 0 HA ARG A 49 -17.823 6.465 -4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.745 4.331 -6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.212 5.077 -5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -18.520 7.280 -6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -16.889 6.728 -6.827 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -18.755 5.008 -8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -19.145 6.678 -8.607 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.956 5.311 -9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.633 8.290 -8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.150 9.078 -8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.051 6.308 -10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.707 7.969 -9.930 1.00 0.00 H new ATOM 799 N ARG A 50 -18.994 4.014 -3.438 1.00 0.00 N ATOM 800 CA ARG A 50 -19.335 2.903 -2.508 1.00 0.00 C ATOM 801 C ARG A 50 -19.250 1.576 -3.264 1.00 0.00 C ATOM 802 O ARG A 50 -18.676 0.615 -2.792 1.00 0.00 O ATOM 803 CB ARG A 50 -20.754 3.092 -1.969 1.00 0.00 C ATOM 804 CG ARG A 50 -21.190 1.818 -1.242 1.00 0.00 C ATOM 805 CD ARG A 50 -22.570 2.026 -0.618 1.00 0.00 C ATOM 806 NE ARG A 50 -23.557 1.131 -1.286 1.00 0.00 N ATOM 807 CZ ARG A 50 -24.715 0.899 -0.729 1.00 0.00 C ATOM 808 NH1 ARG A 50 -25.013 1.442 0.421 1.00 0.00 N ATOM 809 NH2 ARG A 50 -25.576 0.119 -1.321 1.00 0.00 N ATOM 0 H ARG A 50 -19.786 4.432 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 50 -18.635 2.900 -1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -20.787 3.943 -1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -21.440 3.311 -2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.219 0.981 -1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -20.465 1.563 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -22.534 1.812 0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -22.876 3.067 -0.725 1.00 0.00 H new ATOM 0 HE ARG A 50 -23.327 0.699 -2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -24.340 2.050 0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -25.919 1.258 0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -25.344 -0.309 -2.218 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -26.481 -0.063 -0.888 1.00 0.00 H new ATOM 823 N GLU A 51 -19.815 1.519 -4.439 1.00 0.00 N ATOM 824 CA GLU A 51 -19.764 0.258 -5.229 1.00 0.00 C ATOM 825 C GLU A 51 -18.324 -0.252 -5.277 1.00 0.00 C ATOM 826 O GLU A 51 -18.077 -1.441 -5.319 1.00 0.00 O ATOM 827 CB GLU A 51 -20.254 0.527 -6.652 1.00 0.00 C ATOM 828 CG GLU A 51 -20.642 -0.795 -7.317 1.00 0.00 C ATOM 829 CD GLU A 51 -21.349 -0.511 -8.642 1.00 0.00 C ATOM 830 OE1 GLU A 51 -21.017 0.482 -9.267 1.00 0.00 O ATOM 831 OE2 GLU A 51 -22.212 -1.291 -9.010 1.00 0.00 O ATOM 0 H GLU A 51 -20.309 2.291 -4.885 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.402 -0.491 -4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -21.110 1.201 -6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.473 1.021 -7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.753 -1.402 -7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -21.296 -1.367 -6.659 1.00 0.00 H new ATOM 838 N THR A 52 -17.369 0.637 -5.269 1.00 0.00 N ATOM 839 CA THR A 52 -15.949 0.195 -5.311 1.00 0.00 C ATOM 840 C THR A 52 -15.587 -0.446 -3.973 1.00 0.00 C ATOM 841 O THR A 52 -15.063 -1.540 -3.923 1.00 0.00 O ATOM 842 CB THR A 52 -15.042 1.400 -5.564 1.00 0.00 C ATOM 843 OG1 THR A 52 -15.709 2.324 -6.415 1.00 0.00 O ATOM 844 CG2 THR A 52 -13.743 0.934 -6.222 1.00 0.00 C ATOM 0 H THR A 52 -17.511 1.647 -5.235 1.00 0.00 H new ATOM 0 HA THR A 52 -15.814 -0.529 -6.115 1.00 0.00 H new ATOM 0 HB THR A 52 -14.809 1.886 -4.617 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.129 3.097 -6.576 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.097 1.794 -6.402 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.234 0.229 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.970 0.446 -7.170 1.00 0.00 H new ATOM 852 N VAL A 53 -15.871 0.214 -2.884 1.00 0.00 N ATOM 853 CA VAL A 53 -15.551 -0.388 -1.563 1.00 0.00 C ATOM 854 C VAL A 53 -16.068 -1.825 -1.566 1.00 0.00 C ATOM 855 O VAL A 53 -15.544 -2.696 -0.897 1.00 0.00 O ATOM 856 CB VAL A 53 -16.237 0.411 -0.452 1.00 0.00 C ATOM 857 CG1 VAL A 53 -15.984 -0.265 0.896 1.00 0.00 C ATOM 858 CG2 VAL A 53 -15.669 1.832 -0.422 1.00 0.00 C ATOM 0 H VAL A 53 -16.307 1.136 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.476 -0.373 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.309 0.450 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -16.473 0.305 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -16.387 -1.278 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -14.912 -0.305 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -16.157 2.402 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.597 1.791 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.849 2.316 -1.382 1.00 0.00 H new ATOM 868 N GLU A 54 -17.089 -2.078 -2.340 1.00 0.00 N ATOM 869 CA GLU A 54 -17.647 -3.454 -2.422 1.00 0.00 C ATOM 870 C GLU A 54 -16.692 -4.315 -3.250 1.00 0.00 C ATOM 871 O GLU A 54 -16.379 -5.432 -2.893 1.00 0.00 O ATOM 872 CB GLU A 54 -19.025 -3.402 -3.092 1.00 0.00 C ATOM 873 CG GLU A 54 -19.415 -4.793 -3.598 1.00 0.00 C ATOM 874 CD GLU A 54 -19.628 -5.731 -2.408 1.00 0.00 C ATOM 875 OE1 GLU A 54 -19.486 -5.275 -1.286 1.00 0.00 O ATOM 876 OE2 GLU A 54 -19.930 -6.890 -2.641 1.00 0.00 O ATOM 0 H GLU A 54 -17.561 -1.385 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.756 -3.882 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -19.770 -3.042 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -19.008 -2.696 -3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -20.326 -4.732 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -18.634 -5.186 -4.249 1.00 0.00 H new ATOM 883 N GLU A 55 -16.220 -3.797 -4.350 1.00 0.00 N ATOM 884 CA GLU A 55 -15.277 -4.580 -5.193 1.00 0.00 C ATOM 885 C GLU A 55 -14.103 -5.037 -4.327 1.00 0.00 C ATOM 886 O GLU A 55 -13.712 -6.187 -4.348 1.00 0.00 O ATOM 887 CB GLU A 55 -14.763 -3.700 -6.332 1.00 0.00 C ATOM 888 CG GLU A 55 -15.921 -3.352 -7.270 1.00 0.00 C ATOM 889 CD GLU A 55 -16.526 -4.640 -7.833 1.00 0.00 C ATOM 890 OE1 GLU A 55 -15.788 -5.599 -7.989 1.00 0.00 O ATOM 891 OE2 GLU A 55 -17.717 -4.645 -8.099 1.00 0.00 O ATOM 0 H GLU A 55 -16.447 -2.866 -4.700 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.785 -5.448 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.320 -2.789 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.979 -4.220 -6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.681 -2.785 -6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.567 -2.718 -8.083 1.00 0.00 H new ATOM 898 N ASN A 56 -13.546 -4.144 -3.556 1.00 0.00 N ATOM 899 CA ASN A 56 -12.407 -4.526 -2.680 1.00 0.00 C ATOM 900 C ASN A 56 -12.874 -5.614 -1.713 1.00 0.00 C ATOM 901 O ASN A 56 -12.143 -6.527 -1.392 1.00 0.00 O ATOM 902 CB ASN A 56 -11.938 -3.304 -1.889 1.00 0.00 C ATOM 903 CG ASN A 56 -10.422 -3.369 -1.702 1.00 0.00 C ATOM 904 OD1 ASN A 56 -9.818 -4.524 -1.766 1.00 0.00 O flip ATOM 905 ND2 ASN A 56 -9.779 -2.358 -1.497 1.00 0.00 N flip ATOM 0 H ASN A 56 -13.832 -3.167 -3.496 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.581 -4.898 -3.286 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.211 -2.390 -2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.434 -3.273 -0.919 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.251 -1.455 -1.447 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.768 -2.413 -1.375 1.00 0.00 H new ATOM 912 N LEU A 57 -14.092 -5.524 -1.252 1.00 0.00 N ATOM 913 CA LEU A 57 -14.610 -6.557 -0.311 1.00 0.00 C ATOM 914 C LEU A 57 -14.523 -7.935 -0.972 1.00 0.00 C ATOM 915 O LEU A 57 -13.925 -8.851 -0.444 1.00 0.00 O ATOM 916 CB LEU A 57 -16.069 -6.240 0.033 1.00 0.00 C ATOM 917 CG LEU A 57 -16.684 -7.398 0.824 1.00 0.00 C ATOM 918 CD1 LEU A 57 -16.353 -7.238 2.309 1.00 0.00 C ATOM 919 CD2 LEU A 57 -18.202 -7.387 0.637 1.00 0.00 C ATOM 0 H LEU A 57 -14.750 -4.781 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.014 -6.557 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.122 -5.321 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.638 -6.070 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 57 -16.277 -8.342 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.791 -8.063 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.271 -7.242 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.760 -6.295 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -18.644 -8.210 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -18.606 -6.442 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -18.439 -7.501 -0.421 1.00 0.00 H new ATOM 931 N GLY A 58 -15.116 -8.089 -2.125 1.00 0.00 N ATOM 932 CA GLY A 58 -15.063 -9.407 -2.819 1.00 0.00 C ATOM 933 C GLY A 58 -13.628 -9.685 -3.266 1.00 0.00 C ATOM 934 O GLY A 58 -13.295 -10.781 -3.674 1.00 0.00 O ATOM 0 H GLY A 58 -15.634 -7.360 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.408 -10.197 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.731 -9.404 -3.681 1.00 0.00 H new ATOM 938 N ARG A 59 -12.775 -8.701 -3.196 1.00 0.00 N ATOM 939 CA ARG A 59 -11.363 -8.908 -3.620 1.00 0.00 C ATOM 940 C ARG A 59 -10.436 -8.762 -2.410 1.00 0.00 C ATOM 941 O ARG A 59 -9.228 -8.760 -2.539 1.00 0.00 O ATOM 942 CB ARG A 59 -10.994 -7.863 -4.672 1.00 0.00 C ATOM 943 CG ARG A 59 -10.118 -8.508 -5.747 1.00 0.00 C ATOM 944 CD ARG A 59 -9.861 -7.502 -6.869 1.00 0.00 C ATOM 945 NE ARG A 59 -8.819 -8.041 -7.789 1.00 0.00 N ATOM 946 CZ ARG A 59 -8.640 -7.503 -8.966 1.00 0.00 C ATOM 947 NH1 ARG A 59 -9.364 -6.482 -9.338 1.00 0.00 N ATOM 948 NH2 ARG A 59 -7.733 -7.985 -9.771 1.00 0.00 N ATOM 0 H ARG A 59 -12.995 -7.762 -2.863 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.252 -9.907 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.897 -7.451 -5.123 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.463 -7.033 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.173 -8.834 -5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.608 -9.396 -6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.783 -7.310 -7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.535 -6.550 -6.451 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.244 -8.832 -7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.072 -6.102 -8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.222 -6.064 -10.258 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.165 -8.781 -9.481 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.592 -7.566 -10.690 1.00 0.00 H new ATOM 962 N ALA A 60 -10.991 -8.639 -1.236 1.00 0.00 N ATOM 963 CA ALA A 60 -10.141 -8.493 -0.022 1.00 0.00 C ATOM 964 C ALA A 60 -9.431 -9.816 0.258 1.00 0.00 C ATOM 965 O ALA A 60 -8.340 -9.848 0.793 1.00 0.00 O ATOM 966 CB ALA A 60 -11.020 -8.120 1.175 1.00 0.00 C ATOM 0 H ALA A 60 -11.997 -8.633 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.401 -7.709 -0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.398 -8.013 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.529 -7.178 0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.759 -8.903 1.342 1.00 0.00 H new ATOM 972 N TRP A 61 -10.041 -10.911 -0.104 1.00 0.00 N ATOM 973 CA TRP A 61 -9.403 -12.233 0.135 1.00 0.00 C ATOM 974 C TRP A 61 -8.556 -12.615 -1.080 1.00 0.00 C ATOM 975 O TRP A 61 -8.505 -13.761 -1.480 1.00 0.00 O ATOM 976 CB TRP A 61 -10.486 -13.290 0.354 1.00 0.00 C ATOM 977 CG TRP A 61 -9.882 -14.480 1.025 1.00 0.00 C ATOM 978 CD1 TRP A 61 -8.874 -14.433 1.927 1.00 0.00 C ATOM 979 CD2 TRP A 61 -10.224 -15.886 0.863 1.00 0.00 C ATOM 980 NE1 TRP A 61 -8.576 -15.722 2.330 1.00 0.00 N ATOM 981 CE2 TRP A 61 -9.381 -16.653 1.702 1.00 0.00 C ATOM 982 CE3 TRP A 61 -11.174 -16.564 0.079 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -9.477 -18.044 1.760 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -11.274 -17.963 0.135 1.00 0.00 C ATOM 985 CH2 TRP A 61 -10.427 -18.702 0.974 1.00 0.00 C ATOM 0 H TRP A 61 -10.955 -10.946 -0.556 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.768 -12.176 1.019 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -11.291 -12.882 0.966 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -10.926 -13.580 -0.600 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.383 -13.536 2.275 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.851 -15.957 3.008 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -11.831 -16.005 -0.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.822 -18.608 2.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -12.007 -18.473 -0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.509 -19.778 1.013 1.00 0.00 H new ATOM 996 N ASP A 62 -7.890 -11.661 -1.670 1.00 0.00 N ATOM 997 CA ASP A 62 -7.046 -11.966 -2.858 1.00 0.00 C ATOM 998 C ASP A 62 -5.574 -12.002 -2.445 1.00 0.00 C ATOM 999 O ASP A 62 -5.030 -13.044 -2.140 1.00 0.00 O ATOM 1000 CB ASP A 62 -7.250 -10.885 -3.920 1.00 0.00 C ATOM 1001 CG ASP A 62 -6.220 -11.064 -5.036 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -5.596 -12.112 -5.078 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -6.070 -10.149 -5.830 1.00 0.00 O ATOM 0 H ASP A 62 -7.894 -10.683 -1.380 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.332 -12.936 -3.266 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.259 -10.947 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.148 -9.897 -3.472 1.00 0.00 H new ATOM 1008 N VAL A 63 -4.925 -10.870 -2.433 1.00 0.00 N ATOM 1009 CA VAL A 63 -3.487 -10.840 -2.041 1.00 0.00 C ATOM 1010 C VAL A 63 -3.364 -10.432 -0.571 1.00 0.00 C ATOM 1011 O VAL A 63 -2.278 -10.320 -0.038 1.00 0.00 O ATOM 1012 CB VAL A 63 -2.739 -9.827 -2.911 1.00 0.00 C ATOM 1013 CG1 VAL A 63 -1.282 -10.265 -3.068 1.00 0.00 C ATOM 1014 CG2 VAL A 63 -3.398 -9.748 -4.291 1.00 0.00 C ATOM 0 H VAL A 63 -5.328 -9.965 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.055 -11.831 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.776 -8.847 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.750 -9.543 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.810 -10.318 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.246 -11.246 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.864 -9.026 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.364 -10.728 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.436 -9.434 -4.181 1.00 0.00 H new ATOM 1024 N GLN A 64 -4.467 -10.205 0.088 1.00 0.00 N ATOM 1025 CA GLN A 64 -4.406 -9.803 1.521 1.00 0.00 C ATOM 1026 C GLN A 64 -3.537 -10.797 2.296 1.00 0.00 C ATOM 1027 O GLN A 64 -2.931 -10.458 3.294 1.00 0.00 O ATOM 1028 CB GLN A 64 -5.820 -9.787 2.106 1.00 0.00 C ATOM 1029 CG GLN A 64 -6.391 -8.369 2.016 1.00 0.00 C ATOM 1030 CD GLN A 64 -6.207 -7.832 0.595 1.00 0.00 C ATOM 1031 OE1 GLN A 64 -7.080 -7.973 -0.238 1.00 0.00 O ATOM 1032 NE2 GLN A 64 -5.099 -7.217 0.281 1.00 0.00 N ATOM 0 H GLN A 64 -5.406 -10.280 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.971 -8.807 1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.458 -10.483 1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.800 -10.118 3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.449 -8.374 2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.888 -7.717 2.730 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.366 -7.098 0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.967 -6.855 -0.663 1.00 0.00 H new ATOM 1041 N GLU A 65 -3.463 -12.019 1.843 1.00 0.00 N ATOM 1042 CA GLU A 65 -2.624 -13.027 2.555 1.00 0.00 C ATOM 1043 C GLU A 65 -1.160 -12.595 2.485 1.00 0.00 C ATOM 1044 O GLU A 65 -0.432 -12.664 3.455 1.00 0.00 O ATOM 1045 CB GLU A 65 -2.780 -14.393 1.885 1.00 0.00 C ATOM 1046 CG GLU A 65 -4.203 -14.911 2.096 1.00 0.00 C ATOM 1047 CD GLU A 65 -4.456 -16.093 1.158 1.00 0.00 C ATOM 1048 OE1 GLU A 65 -3.718 -17.060 1.244 1.00 0.00 O ATOM 1049 OE2 GLU A 65 -5.383 -16.009 0.369 1.00 0.00 O ATOM 0 H GLU A 65 -3.946 -12.363 1.013 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.942 -13.097 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.566 -14.313 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.061 -15.098 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.340 -15.219 3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.924 -14.117 1.901 1.00 0.00 H new ATOM 1056 N MET A 66 -0.727 -12.143 1.340 1.00 0.00 N ATOM 1057 CA MET A 66 0.686 -11.698 1.194 1.00 0.00 C ATOM 1058 C MET A 66 0.930 -10.477 2.084 1.00 0.00 C ATOM 1059 O MET A 66 2.049 -10.043 2.267 1.00 0.00 O ATOM 1060 CB MET A 66 0.946 -11.325 -0.264 1.00 0.00 C ATOM 1061 CG MET A 66 1.894 -12.348 -0.895 1.00 0.00 C ATOM 1062 SD MET A 66 3.608 -11.845 -0.604 1.00 0.00 S ATOM 1063 CE MET A 66 4.335 -13.503 -0.623 1.00 0.00 C ATOM 0 H MET A 66 -1.294 -12.063 0.496 1.00 0.00 H new ATOM 0 HA MET A 66 1.357 -12.503 1.492 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.006 -11.296 -0.816 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.381 -10.327 -0.323 1.00 0.00 H new ATOM 0 HG2 MET A 66 1.716 -13.335 -0.468 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.703 -12.424 -1.965 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.410 -13.431 -0.459 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.887 -14.106 0.167 1.00 0.00 H new ATOM 0 HE3 MET A 66 4.146 -13.972 -1.589 1.00 0.00 H new ATOM 1073 N LEU A 67 -0.111 -9.918 2.635 1.00 0.00 N ATOM 1074 CA LEU A 67 0.051 -8.725 3.515 1.00 0.00 C ATOM 1075 C LEU A 67 1.074 -9.026 4.616 1.00 0.00 C ATOM 1076 O LEU A 67 1.602 -8.132 5.245 1.00 0.00 O ATOM 1077 CB LEU A 67 -1.297 -8.385 4.154 1.00 0.00 C ATOM 1078 CG LEU A 67 -1.089 -7.366 5.276 1.00 0.00 C ATOM 1079 CD1 LEU A 67 -2.259 -6.382 5.291 1.00 0.00 C ATOM 1080 CD2 LEU A 67 -1.022 -8.096 6.618 1.00 0.00 C ATOM 0 H LEU A 67 -1.072 -10.237 2.514 1.00 0.00 H new ATOM 0 HA LEU A 67 0.402 -7.882 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.976 -7.981 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.761 -9.288 4.550 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.158 -6.824 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.113 -5.655 6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.311 -5.864 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.189 -6.925 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.874 -7.372 7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.954 -8.636 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.191 -8.801 6.608 1.00 0.00 H new ATOM 1092 N VAL A 68 1.355 -10.276 4.860 1.00 0.00 N ATOM 1093 CA VAL A 68 2.340 -10.623 5.923 1.00 0.00 C ATOM 1094 C VAL A 68 3.763 -10.506 5.369 1.00 0.00 C ATOM 1095 O VAL A 68 4.683 -10.127 6.067 1.00 0.00 O ATOM 1096 CB VAL A 68 2.097 -12.059 6.389 1.00 0.00 C ATOM 1097 CG1 VAL A 68 3.058 -12.396 7.531 1.00 0.00 C ATOM 1098 CG2 VAL A 68 0.654 -12.200 6.878 1.00 0.00 C ATOM 0 H VAL A 68 0.946 -11.072 4.370 1.00 0.00 H new ATOM 0 HA VAL A 68 2.221 -9.937 6.762 1.00 0.00 H new ATOM 0 HB VAL A 68 2.267 -12.743 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.884 -13.420 7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.086 -12.297 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.889 -11.712 8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.481 -13.224 7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.483 -11.515 7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.031 -11.962 6.064 1.00 0.00 H new ATOM 1108 N ASP A 69 3.955 -10.844 4.122 1.00 0.00 N ATOM 1109 CA ASP A 69 5.317 -10.770 3.524 1.00 0.00 C ATOM 1110 C ASP A 69 5.499 -9.493 2.713 1.00 0.00 C ATOM 1111 O ASP A 69 5.470 -8.395 3.226 1.00 0.00 O ATOM 1112 CB ASP A 69 5.511 -11.917 2.556 1.00 0.00 C ATOM 1113 CG ASP A 69 5.429 -13.262 3.280 1.00 0.00 C ATOM 1114 OD1 ASP A 69 6.336 -13.559 4.040 1.00 0.00 O ATOM 1115 OD2 ASP A 69 4.460 -13.971 3.064 1.00 0.00 O ATOM 0 H ASP A 69 3.223 -11.169 3.490 1.00 0.00 H new ATOM 0 HA ASP A 69 6.030 -10.803 4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.751 -11.872 1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.479 -11.823 2.064 1.00 0.00 H new ATOM 1120 N VAL A 70 5.744 -9.663 1.434 1.00 0.00 N ATOM 1121 CA VAL A 70 6.012 -8.563 0.542 1.00 0.00 C ATOM 1122 C VAL A 70 5.015 -7.431 0.620 1.00 0.00 C ATOM 1123 O VAL A 70 5.212 -6.466 -0.028 1.00 0.00 O ATOM 1124 CB VAL A 70 6.143 -9.131 -0.885 1.00 0.00 C ATOM 1125 CG1 VAL A 70 4.939 -8.764 -1.761 1.00 0.00 C ATOM 1126 CG2 VAL A 70 7.431 -8.600 -1.516 1.00 0.00 C ATOM 0 H VAL A 70 5.763 -10.577 0.982 1.00 0.00 H new ATOM 0 HA VAL A 70 6.945 -8.094 0.855 1.00 0.00 H new ATOM 0 HB VAL A 70 6.175 -10.219 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.073 -9.184 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.029 -9.167 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.858 -7.679 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.532 -8.997 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.395 -7.511 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.286 -8.913 -0.916 1.00 0.00 H new ATOM 1136 N ILE A 71 3.972 -7.499 1.374 1.00 0.00 N ATOM 1137 CA ILE A 71 3.043 -6.325 1.366 1.00 0.00 C ATOM 1138 C ILE A 71 2.656 -5.874 2.778 1.00 0.00 C ATOM 1139 O ILE A 71 2.456 -6.668 3.672 1.00 0.00 O ATOM 1140 CB ILE A 71 1.773 -6.655 0.574 1.00 0.00 C ATOM 1141 CG1 ILE A 71 1.934 -7.983 -0.174 1.00 0.00 C ATOM 1142 CG2 ILE A 71 1.525 -5.539 -0.440 1.00 0.00 C ATOM 1143 CD1 ILE A 71 0.726 -8.201 -1.087 1.00 0.00 C ATOM 0 H ILE A 71 3.715 -8.279 1.979 1.00 0.00 H new ATOM 0 HA ILE A 71 3.579 -5.505 0.889 1.00 0.00 H new ATOM 0 HB ILE A 71 0.934 -6.741 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.851 -7.973 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.020 -8.805 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.624 -5.760 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.399 -4.592 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.376 -5.467 -1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.838 -9.145 -1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.183 -8.229 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.661 -7.384 -1.806 1.00 0.00 H new ATOM 1155 N THR A 72 2.534 -4.580 2.958 1.00 0.00 N ATOM 1156 CA THR A 72 2.139 -4.015 4.281 1.00 0.00 C ATOM 1157 C THR A 72 1.498 -2.640 4.060 1.00 0.00 C ATOM 1158 O THR A 72 1.826 -1.937 3.124 1.00 0.00 O ATOM 1159 CB THR A 72 3.369 -3.885 5.179 1.00 0.00 C ATOM 1160 OG1 THR A 72 4.520 -4.292 4.457 1.00 0.00 O ATOM 1161 CG2 THR A 72 3.200 -4.777 6.410 1.00 0.00 C ATOM 0 H THR A 72 2.695 -3.883 2.230 1.00 0.00 H new ATOM 0 HA THR A 72 1.424 -4.678 4.768 1.00 0.00 H new ATOM 0 HB THR A 72 3.482 -2.848 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.987 -4.994 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.077 -4.684 7.050 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.313 -4.469 6.963 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.089 -5.815 6.095 1.00 0.00 H new ATOM 1169 N ILE A 73 0.574 -2.257 4.900 1.00 0.00 N ATOM 1170 CA ILE A 73 -0.097 -0.940 4.729 1.00 0.00 C ATOM 1171 C ILE A 73 -0.274 -0.273 6.094 1.00 0.00 C ATOM 1172 O ILE A 73 0.195 -0.763 7.102 1.00 0.00 O ATOM 1173 CB ILE A 73 -1.472 -1.143 4.089 1.00 0.00 C ATOM 1174 CG1 ILE A 73 -2.051 -2.499 4.506 1.00 0.00 C ATOM 1175 CG2 ILE A 73 -1.339 -1.093 2.566 1.00 0.00 C ATOM 1176 CD1 ILE A 73 -2.539 -2.423 5.954 1.00 0.00 C ATOM 0 H ILE A 73 0.255 -2.804 5.700 1.00 0.00 H new ATOM 0 HA ILE A 73 0.516 -0.307 4.088 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.141 -0.351 4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.875 -2.772 3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.293 -3.276 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.319 -1.238 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.939 -0.124 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.664 -1.882 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.951 -3.388 6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.704 -2.169 6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.311 -1.658 6.038 1.00 0.00 H new ATOM 1188 N GLY A 74 -0.945 0.847 6.133 1.00 0.00 N ATOM 1189 CA GLY A 74 -1.151 1.549 7.429 1.00 0.00 C ATOM 1190 C GLY A 74 -1.678 2.956 7.176 1.00 0.00 C ATOM 1191 O GLY A 74 -1.239 3.913 7.781 1.00 0.00 O ATOM 0 H GLY A 74 -1.359 1.305 5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.856 0.992 8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.212 1.596 7.981 1.00 0.00 H new ATOM 1195 N GLY A 75 -2.622 3.092 6.293 1.00 0.00 N ATOM 1196 CA GLY A 75 -3.181 4.438 6.014 1.00 0.00 C ATOM 1197 C GLY A 75 -4.419 4.653 6.876 1.00 0.00 C ATOM 1198 O GLY A 75 -4.331 4.883 8.066 1.00 0.00 O ATOM 0 H GLY A 75 -3.031 2.329 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.437 5.206 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.438 4.527 4.958 1.00 0.00 H new ATOM 1202 N ASN A 76 -5.572 4.575 6.284 1.00 0.00 N ATOM 1203 CA ASN A 76 -6.823 4.771 7.064 1.00 0.00 C ATOM 1204 C ASN A 76 -8.033 4.545 6.157 1.00 0.00 C ATOM 1205 O ASN A 76 -7.919 4.496 4.949 1.00 0.00 O ATOM 1206 CB ASN A 76 -6.861 6.195 7.621 1.00 0.00 C ATOM 1207 CG ASN A 76 -6.725 6.152 9.145 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -7.785 6.314 9.888 1.00 0.00 O flip ATOM 1209 ND2 ASN A 76 -5.642 5.968 9.664 1.00 0.00 N flip ATOM 0 H ASN A 76 -5.705 4.384 5.291 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.850 4.058 7.888 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.054 6.787 7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.796 6.681 7.342 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.813 5.841 9.083 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.562 5.940 10.680 1.00 0.00 H new ATOM 1216 N VAL A 77 -9.193 4.416 6.735 1.00 0.00 N ATOM 1217 CA VAL A 77 -10.419 4.205 5.918 1.00 0.00 C ATOM 1218 C VAL A 77 -11.512 5.144 6.425 1.00 0.00 C ATOM 1219 O VAL A 77 -12.241 4.820 7.342 1.00 0.00 O ATOM 1220 CB VAL A 77 -10.886 2.756 6.064 1.00 0.00 C ATOM 1221 CG1 VAL A 77 -11.101 2.440 7.545 1.00 0.00 C ATOM 1222 CG2 VAL A 77 -12.202 2.567 5.307 1.00 0.00 C ATOM 0 H VAL A 77 -9.346 4.448 7.743 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.207 4.410 4.869 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.131 2.086 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.434 1.408 7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.165 2.577 8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.858 3.110 7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.536 1.535 5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.958 3.236 5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.051 2.796 4.252 1.00 0.00 H new ATOM 1232 N ASP A 78 -11.624 6.312 5.855 1.00 0.00 N ATOM 1233 CA ASP A 78 -12.666 7.265 6.338 1.00 0.00 C ATOM 1234 C ASP A 78 -13.831 7.311 5.348 1.00 0.00 C ATOM 1235 O ASP A 78 -13.642 7.346 4.151 1.00 0.00 O ATOM 1236 CB ASP A 78 -12.070 8.670 6.485 1.00 0.00 C ATOM 1237 CG ASP A 78 -10.538 8.605 6.447 1.00 0.00 C ATOM 1238 OD1 ASP A 78 -9.995 8.518 5.359 1.00 0.00 O ATOM 1239 OD2 ASP A 78 -9.938 8.642 7.508 1.00 0.00 O ATOM 0 H ASP A 78 -11.046 6.647 5.084 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.027 6.924 7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.434 9.312 5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.399 9.115 7.424 1.00 0.00 H new ATOM 1244 N GLU A 79 -15.039 7.315 5.845 1.00 0.00 N ATOM 1245 CA GLU A 79 -16.222 7.363 4.939 1.00 0.00 C ATOM 1246 C GLU A 79 -17.045 8.618 5.241 1.00 0.00 C ATOM 1247 O GLU A 79 -17.315 8.934 6.383 1.00 0.00 O ATOM 1248 CB GLU A 79 -17.087 6.119 5.164 1.00 0.00 C ATOM 1249 CG GLU A 79 -17.810 6.236 6.508 1.00 0.00 C ATOM 1250 CD GLU A 79 -18.552 4.932 6.805 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -17.889 3.944 7.075 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -19.771 4.943 6.759 1.00 0.00 O ATOM 0 H GLU A 79 -15.257 7.287 6.841 1.00 0.00 H new ATOM 0 HA GLU A 79 -15.886 7.390 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -17.812 6.016 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -16.466 5.224 5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -17.093 6.447 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -18.513 7.069 6.483 1.00 0.00 H new ATOM 1259 N ASP A 80 -17.446 9.337 4.229 1.00 0.00 N ATOM 1260 CA ASP A 80 -18.250 10.570 4.464 1.00 0.00 C ATOM 1261 C ASP A 80 -19.742 10.217 4.458 1.00 0.00 C ATOM 1262 O ASP A 80 -20.290 9.792 5.455 1.00 0.00 O ATOM 1263 CB ASP A 80 -17.953 11.590 3.362 1.00 0.00 C ATOM 1264 CG ASP A 80 -18.975 12.726 3.430 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -19.137 13.289 4.500 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -19.579 13.014 2.410 1.00 0.00 O ATOM 0 H ASP A 80 -17.252 9.125 3.250 1.00 0.00 H new ATOM 0 HA ASP A 80 -17.987 10.999 5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -16.945 11.986 3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -17.993 11.108 2.385 1.00 0.00 H new ATOM 1271 N ASP A 81 -20.403 10.386 3.343 1.00 0.00 N ATOM 1272 CA ASP A 81 -21.855 10.057 3.280 1.00 0.00 C ATOM 1273 C ASP A 81 -22.046 8.769 2.477 1.00 0.00 C ATOM 1274 O ASP A 81 -22.535 7.776 2.981 1.00 0.00 O ATOM 1275 CB ASP A 81 -22.607 11.201 2.595 1.00 0.00 C ATOM 1276 CG ASP A 81 -23.103 12.190 3.651 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -22.304 12.588 4.483 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -24.273 12.533 3.610 1.00 0.00 O ATOM 0 H ASP A 81 -19.999 10.737 2.475 1.00 0.00 H new ATOM 0 HA ASP A 81 -22.244 9.920 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -21.952 11.708 1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -23.449 10.807 2.026 1.00 0.00 H new ATOM 1283 N ASP A 82 -21.654 8.776 1.233 1.00 0.00 N ATOM 1284 CA ASP A 82 -21.799 7.555 0.393 1.00 0.00 C ATOM 1285 C ASP A 82 -20.438 7.224 -0.211 1.00 0.00 C ATOM 1286 O ASP A 82 -20.046 6.078 -0.308 1.00 0.00 O ATOM 1287 CB ASP A 82 -22.809 7.821 -0.726 1.00 0.00 C ATOM 1288 CG ASP A 82 -22.521 9.183 -1.362 1.00 0.00 C ATOM 1289 OD1 ASP A 82 -22.923 10.181 -0.788 1.00 0.00 O ATOM 1290 OD2 ASP A 82 -21.903 9.204 -2.414 1.00 0.00 O ATOM 0 H ASP A 82 -21.238 9.578 0.761 1.00 0.00 H new ATOM 0 HA ASP A 82 -22.153 6.720 0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -22.748 7.036 -1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -23.823 7.801 -0.327 1.00 0.00 H new ATOM 1295 N ARG A 83 -19.711 8.230 -0.605 1.00 0.00 N ATOM 1296 CA ARG A 83 -18.366 8.000 -1.191 1.00 0.00 C ATOM 1297 C ARG A 83 -17.448 7.411 -0.118 1.00 0.00 C ATOM 1298 O ARG A 83 -17.875 7.105 0.977 1.00 0.00 O ATOM 1299 CB ARG A 83 -17.798 9.338 -1.665 1.00 0.00 C ATOM 1300 CG ARG A 83 -18.023 9.492 -3.169 1.00 0.00 C ATOM 1301 CD ARG A 83 -19.085 10.565 -3.415 1.00 0.00 C ATOM 1302 NE ARG A 83 -19.886 10.208 -4.618 1.00 0.00 N ATOM 1303 CZ ARG A 83 -21.040 10.782 -4.832 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -21.500 11.668 -3.990 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -21.734 10.467 -5.891 1.00 0.00 N ATOM 0 H ARG A 83 -19.994 9.208 -0.545 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.436 7.310 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.278 10.157 -1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -16.733 9.392 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -17.090 9.768 -3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -18.342 8.543 -3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -19.736 10.653 -2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.610 11.536 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 83 -19.533 9.514 -5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -20.958 11.914 -3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -22.401 12.114 -4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -21.375 9.775 -6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -22.635 10.913 -6.061 1.00 0.00 H new ATOM 1319 N PHE A 84 -16.189 7.259 -0.419 1.00 0.00 N ATOM 1320 CA PHE A 84 -15.245 6.701 0.587 1.00 0.00 C ATOM 1321 C PHE A 84 -13.913 7.445 0.488 1.00 0.00 C ATOM 1322 O PHE A 84 -13.661 8.163 -0.460 1.00 0.00 O ATOM 1323 CB PHE A 84 -15.024 5.209 0.322 1.00 0.00 C ATOM 1324 CG PHE A 84 -15.681 4.405 1.418 1.00 0.00 C ATOM 1325 CD1 PHE A 84 -17.050 4.117 1.352 1.00 0.00 C ATOM 1326 CD2 PHE A 84 -14.923 3.947 2.503 1.00 0.00 C ATOM 1327 CE1 PHE A 84 -17.660 3.372 2.369 1.00 0.00 C ATOM 1328 CE2 PHE A 84 -15.532 3.203 3.519 1.00 0.00 C ATOM 1329 CZ PHE A 84 -16.900 2.915 3.453 1.00 0.00 C ATOM 0 H PHE A 84 -15.773 7.497 -1.319 1.00 0.00 H new ATOM 0 HA PHE A 84 -15.662 6.824 1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.442 4.934 -0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -13.957 4.989 0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -17.636 4.470 0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -13.867 4.168 2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -18.716 3.150 2.317 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -14.946 2.851 4.355 1.00 0.00 H new ATOM 0 HZ PHE A 84 -17.369 2.340 4.238 1.00 0.00 H new ATOM 1339 N VAL A 85 -13.060 7.285 1.459 1.00 0.00 N ATOM 1340 CA VAL A 85 -11.749 7.988 1.422 1.00 0.00 C ATOM 1341 C VAL A 85 -10.729 7.210 2.250 1.00 0.00 C ATOM 1342 O VAL A 85 -11.079 6.385 3.068 1.00 0.00 O ATOM 1343 CB VAL A 85 -11.907 9.403 2.010 1.00 0.00 C ATOM 1344 CG1 VAL A 85 -11.618 9.389 3.515 1.00 0.00 C ATOM 1345 CG2 VAL A 85 -10.914 10.347 1.339 1.00 0.00 C ATOM 0 H VAL A 85 -13.214 6.697 2.278 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.406 8.057 0.390 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.929 9.738 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.733 10.396 3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.317 8.717 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.598 9.045 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.026 11.348 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.899 9.992 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.107 10.376 0.267 1.00 0.00 H new ATOM 1355 N LEU A 86 -9.474 7.479 2.054 1.00 0.00 N ATOM 1356 CA LEU A 86 -8.440 6.777 2.840 1.00 0.00 C ATOM 1357 C LEU A 86 -7.066 7.403 2.548 1.00 0.00 C ATOM 1358 O LEU A 86 -6.862 8.584 2.736 1.00 0.00 O ATOM 1359 CB LEU A 86 -8.480 5.303 2.463 1.00 0.00 C ATOM 1360 CG LEU A 86 -8.575 5.179 0.951 1.00 0.00 C ATOM 1361 CD1 LEU A 86 -7.373 4.389 0.411 1.00 0.00 C ATOM 1362 CD2 LEU A 86 -9.862 4.449 0.579 1.00 0.00 C ATOM 0 H LEU A 86 -9.122 8.158 1.380 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.624 6.872 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.585 4.798 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.334 4.817 2.935 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.576 6.177 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.450 4.305 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.450 4.908 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.365 3.392 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.930 4.360 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.858 3.454 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.719 5.010 0.951 1.00 0.00 H new ATOM 1374 N GLU A 87 -6.129 6.616 2.118 1.00 0.00 N ATOM 1375 CA GLU A 87 -4.756 7.123 1.824 1.00 0.00 C ATOM 1376 C GLU A 87 -4.460 7.065 0.325 1.00 0.00 C ATOM 1377 O GLU A 87 -5.107 6.376 -0.422 1.00 0.00 O ATOM 1378 CB GLU A 87 -3.751 6.216 2.498 1.00 0.00 C ATOM 1379 CG GLU A 87 -3.768 4.872 1.778 1.00 0.00 C ATOM 1380 CD GLU A 87 -3.721 3.729 2.792 1.00 0.00 C ATOM 1381 OE1 GLU A 87 -4.675 3.588 3.539 1.00 0.00 O ATOM 1382 OE2 GLU A 87 -2.733 3.014 2.804 1.00 0.00 O ATOM 0 H GLU A 87 -6.255 5.617 1.952 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.691 8.151 2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.755 6.656 2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.001 6.087 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.667 4.790 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.916 4.803 1.101 1.00 0.00 H new