USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 94 ASN : amide:sc= 0.913 K(o=2.1,f=-1.6) USER MOD Set 1.2: A 98 HIS : no HE2:sc= 1.18 K(o=2.1,f=-6.8!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.44) USER MOD Single : A 25 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -35:sc=-0.00188 USER MOD Single : A 36 THR OG1 : rot -170:sc= 0.0724 USER MOD Single : A 38 SER OG : rot 26:sc= 1.29 USER MOD Single : A 39 GLN : amide:sc= -0.827 X(o=-0.83,f=-0.63) USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= 0.118 (180deg=-1.33!) USER MOD Single : A 43 LYS NZ :NH3+ 149:sc= 0.785 (180deg=0.0989!) USER MOD Single : A 44 MET CE :methyl -164:sc= -4.41! (180deg=-4.73!) USER MOD Single : A 47 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.61) USER MOD Single : A 69 SER OG : rot -111:sc= -0.231 USER MOD Single : A 74 HIS : no HE2:sc= 1.03 K(o=1,f=-4.2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -150:sc= -1.09 USER MOD Single : A 97 GLN : amide:sc= -1.86! C(o=-1.9!,f=-1.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= 0.229 (180deg=-0.0269) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 10:sc= 0.317 USER MOD ----------------------------------------------------------------- ATOM 87 N TYR A 6 -8.064 4.855 -0.002 1.00 1.00 N ATOM 88 CA TYR A 6 -9.394 5.159 -0.285 1.00 1.00 C ATOM 89 C TYR A 6 -10.144 4.309 0.684 1.00 1.00 C ATOM 90 O TYR A 6 -9.506 3.565 1.438 1.00 1.00 O ATOM 91 CB TYR A 6 -9.730 4.840 -1.739 1.00 1.00 C ATOM 92 CG TYR A 6 -8.901 5.652 -2.718 1.00 1.00 C ATOM 93 CD1 TYR A 6 -8.981 7.042 -2.737 1.00 1.00 C ATOM 94 CD2 TYR A 6 -8.018 5.038 -3.591 1.00 1.00 C ATOM 95 CE1 TYR A 6 -8.212 7.792 -3.608 1.00 1.00 C ATOM 96 CE2 TYR A 6 -7.246 5.776 -4.464 1.00 1.00 C ATOM 97 CZ TYR A 6 -7.347 7.154 -4.475 1.00 1.00 C ATOM 98 OH TYR A 6 -6.565 7.897 -5.344 1.00 1.00 O ATOM 0 HA TYR A 6 -9.639 6.216 -0.179 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -9.566 3.778 -1.922 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -10.788 5.034 -1.915 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -9.656 7.544 -2.059 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -7.932 3.961 -3.588 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -8.287 8.869 -3.610 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -6.564 5.278 -5.137 1.00 1.00 H new ATOM 0 HH TYR A 6 -6.012 7.294 -5.884 1.00 1.00 H new ATOM 108 N ARG A 7 -11.415 4.362 0.719 1.00 1.00 N ATOM 109 CA ARG A 7 -12.078 3.639 1.780 1.00 1.00 C ATOM 110 C ARG A 7 -12.738 2.360 1.350 1.00 1.00 C ATOM 111 O ARG A 7 -13.690 2.377 0.597 1.00 1.00 O ATOM 112 CB ARG A 7 -12.984 4.538 2.618 1.00 1.00 C ATOM 113 CG ARG A 7 -12.202 5.579 3.421 1.00 1.00 C ATOM 114 CD ARG A 7 -11.199 4.924 4.383 1.00 1.00 C ATOM 115 NE ARG A 7 -10.263 5.890 4.962 1.00 1.00 N ATOM 116 CZ ARG A 7 -8.916 5.772 4.952 1.00 1.00 C ATOM 117 NH1 ARG A 7 -8.320 4.768 4.303 1.00 1.00 N ATOM 118 NH2 ARG A 7 -8.175 6.675 5.572 1.00 1.00 N ATOM 0 H ARG A 7 -12.016 4.868 0.068 1.00 1.00 H new ATOM 0 HA ARG A 7 -11.276 3.307 2.439 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -13.691 5.047 1.963 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -13.569 3.922 3.301 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -11.670 6.241 2.737 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -12.898 6.198 3.988 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -11.743 4.425 5.185 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -10.639 4.155 3.851 1.00 1.00 H new ATOM 0 HE ARG A 7 -10.659 6.718 5.408 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -8.882 4.077 3.806 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -7.303 4.692 4.305 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -8.620 7.456 6.055 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -7.158 6.591 5.568 1.00 1.00 H new ATOM 132 N PRO A 8 -12.184 1.211 1.795 1.00 1.00 N ATOM 133 CA PRO A 8 -12.780 -0.082 1.548 1.00 1.00 C ATOM 134 C PRO A 8 -14.095 -0.166 2.272 1.00 1.00 C ATOM 135 O PRO A 8 -14.163 -0.005 3.507 1.00 1.00 O ATOM 136 CB PRO A 8 -11.788 -1.089 2.150 1.00 1.00 C ATOM 137 CG PRO A 8 -10.533 -0.321 2.362 1.00 1.00 C ATOM 138 CD PRO A 8 -10.939 1.106 2.562 1.00 1.00 C ATOM 0 HA PRO A 8 -12.966 -0.268 0.490 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -12.163 -1.498 3.088 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -11.625 -1.931 1.478 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -9.990 -0.696 3.230 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -9.868 -0.419 1.504 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -11.095 1.336 3.616 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -10.180 1.796 2.194 1.00 1.00 H new ATOM 146 N LEU A 9 -15.116 -0.399 1.540 1.00 1.00 N ATOM 147 CA LEU A 9 -16.406 -0.457 2.087 1.00 1.00 C ATOM 148 C LEU A 9 -16.945 -1.848 1.943 1.00 1.00 C ATOM 149 O LEU A 9 -16.455 -2.622 1.120 1.00 1.00 O ATOM 150 CB LEU A 9 -17.322 0.529 1.400 1.00 1.00 C ATOM 151 CG LEU A 9 -18.566 0.893 2.179 1.00 1.00 C ATOM 152 CD1 LEU A 9 -18.245 1.897 3.245 1.00 1.00 C ATOM 153 CD2 LEU A 9 -19.618 1.409 1.277 1.00 1.00 C ATOM 0 H LEU A 9 -15.075 -0.556 0.533 1.00 1.00 H new ATOM 0 HA LEU A 9 -16.354 -0.194 3.144 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -16.761 1.440 1.193 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -17.622 0.114 0.438 1.00 1.00 H new ATOM 0 HG LEU A 9 -18.943 -0.010 2.659 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -19.152 2.147 3.795 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -17.509 1.477 3.931 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -17.840 2.798 2.786 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -20.503 1.664 1.859 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -19.253 2.298 0.763 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -19.874 0.645 0.543 1.00 1.00 H new ATOM 165 N THR A 10 -17.919 -2.171 2.730 1.00 1.00 N ATOM 166 CA THR A 10 -18.514 -3.471 2.684 1.00 1.00 C ATOM 167 C THR A 10 -19.802 -3.403 1.874 1.00 1.00 C ATOM 168 O THR A 10 -20.667 -2.566 2.137 1.00 1.00 O ATOM 169 CB THR A 10 -18.809 -3.970 4.104 1.00 1.00 C ATOM 170 OG1 THR A 10 -17.652 -3.730 4.924 1.00 1.00 O ATOM 171 CG2 THR A 10 -19.115 -5.463 4.098 1.00 1.00 C ATOM 0 H THR A 10 -18.326 -1.543 3.423 1.00 1.00 H new ATOM 0 HA THR A 10 -17.823 -4.169 2.211 1.00 1.00 H new ATOM 0 HB THR A 10 -19.676 -3.439 4.496 1.00 1.00 H new ATOM 0 HG1 THR A 10 -17.827 -4.043 5.836 1.00 1.00 H new ATOM 0 HG21 THR A 10 -19.321 -5.796 5.115 1.00 1.00 H new ATOM 0 HG22 THR A 10 -19.985 -5.653 3.470 1.00 1.00 H new ATOM 0 HG23 THR A 10 -18.257 -6.009 3.704 1.00 1.00 H new ATOM 179 N LEU A 11 -19.887 -4.218 0.865 1.00 1.00 N ATOM 180 CA LEU A 11 -21.048 -4.314 0.027 1.00 1.00 C ATOM 181 C LEU A 11 -21.528 -5.744 -0.036 1.00 1.00 C ATOM 182 O LEU A 11 -20.732 -6.671 -0.012 1.00 1.00 O ATOM 183 CB LEU A 11 -20.753 -3.798 -1.383 1.00 1.00 C ATOM 184 CG LEU A 11 -20.934 -2.299 -1.630 1.00 1.00 C ATOM 185 CD1 LEU A 11 -22.262 -1.857 -1.116 1.00 1.00 C ATOM 186 CD2 LEU A 11 -19.822 -1.481 -1.010 1.00 1.00 C ATOM 0 H LEU A 11 -19.134 -4.850 0.594 1.00 1.00 H new ATOM 0 HA LEU A 11 -21.831 -3.692 0.461 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -19.724 -4.059 -1.630 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -21.395 -4.336 -2.081 1.00 1.00 H new ATOM 0 HG LEU A 11 -20.890 -2.131 -2.706 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -22.384 -0.789 -1.295 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -23.052 -2.404 -1.631 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -22.322 -2.055 -0.046 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -19.993 -0.423 -1.211 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -19.805 -1.647 0.067 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -18.866 -1.782 -1.439 1.00 1.00 H new ATOM 198 N ASN A 12 -22.809 -5.924 -0.090 1.00 1.00 N ATOM 199 CA ASN A 12 -23.377 -7.236 -0.177 1.00 1.00 C ATOM 200 C ASN A 12 -23.594 -7.612 -1.635 1.00 1.00 C ATOM 201 O ASN A 12 -24.406 -6.990 -2.327 1.00 1.00 O ATOM 202 CB ASN A 12 -24.686 -7.269 0.585 1.00 1.00 C ATOM 203 CG ASN A 12 -25.323 -8.626 0.597 1.00 1.00 C ATOM 204 OD1 ASN A 12 -24.998 -9.464 1.427 1.00 1.00 O ATOM 205 ND2 ASN A 12 -26.225 -8.856 -0.304 1.00 1.00 N ATOM 0 H ASN A 12 -23.493 -5.167 -0.075 1.00 1.00 H new ATOM 0 HA ASN A 12 -22.694 -7.961 0.265 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -24.511 -6.947 1.611 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -25.377 -6.553 0.140 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -26.692 -9.762 -0.338 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -26.468 -8.131 -0.979 1.00 1.00 H new ATOM 212 N ALA A 13 -22.856 -8.609 -2.092 1.00 1.00 N ATOM 213 CA ALA A 13 -22.922 -9.089 -3.466 1.00 1.00 C ATOM 214 C ALA A 13 -24.182 -9.877 -3.679 1.00 1.00 C ATOM 215 O ALA A 13 -24.323 -11.013 -3.169 1.00 1.00 O ATOM 216 CB ALA A 13 -21.714 -9.959 -3.793 1.00 1.00 C ATOM 0 H ALA A 13 -22.185 -9.116 -1.514 1.00 1.00 H new ATOM 0 HA ALA A 13 -22.920 -8.224 -4.129 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -21.784 -10.306 -4.824 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -20.801 -9.376 -3.668 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -21.691 -10.817 -3.122 1.00 1.00 H new ATOM 222 N LEU A 14 -25.092 -9.302 -4.400 1.00 1.00 N ATOM 223 CA LEU A 14 -26.335 -9.918 -4.657 1.00 1.00 C ATOM 224 C LEU A 14 -26.753 -9.608 -6.095 1.00 1.00 C ATOM 225 O LEU A 14 -26.245 -8.669 -6.708 1.00 1.00 O ATOM 226 CB LEU A 14 -27.345 -9.381 -3.644 1.00 1.00 C ATOM 227 CG LEU A 14 -28.686 -10.076 -3.558 1.00 1.00 C ATOM 228 CD1 LEU A 14 -28.487 -11.549 -3.221 1.00 1.00 C ATOM 229 CD2 LEU A 14 -29.534 -9.394 -2.499 1.00 1.00 C ATOM 0 H LEU A 14 -24.982 -8.382 -4.827 1.00 1.00 H new ATOM 0 HA LEU A 14 -26.277 -11.001 -4.553 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -26.883 -9.418 -2.657 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -27.525 -8.331 -3.873 1.00 1.00 H new ATOM 0 HG LEU A 14 -29.197 -10.011 -4.519 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -29.457 -12.043 -3.161 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -27.887 -12.022 -3.998 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -27.975 -11.637 -2.263 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -30.502 -9.891 -2.433 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -29.029 -9.453 -1.535 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -29.681 -8.348 -2.768 1.00 1.00 H new ATOM 241 N LEU A 15 -27.624 -10.406 -6.641 1.00 1.00 N ATOM 242 CA LEU A 15 -28.100 -10.194 -7.981 1.00 1.00 C ATOM 243 C LEU A 15 -29.619 -10.205 -7.978 1.00 1.00 C ATOM 244 O LEU A 15 -30.236 -10.946 -7.211 1.00 1.00 O ATOM 245 CB LEU A 15 -27.492 -11.224 -8.971 1.00 1.00 C ATOM 246 CG LEU A 15 -28.183 -12.585 -9.115 1.00 1.00 C ATOM 247 CD1 LEU A 15 -27.519 -13.391 -10.220 1.00 1.00 C ATOM 248 CD2 LEU A 15 -28.141 -13.369 -7.818 1.00 1.00 C ATOM 0 H LEU A 15 -28.024 -11.220 -6.174 1.00 1.00 H new ATOM 0 HA LEU A 15 -27.769 -9.218 -8.335 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -27.461 -10.760 -9.957 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -26.460 -11.405 -8.671 1.00 1.00 H new ATOM 0 HG LEU A 15 -29.227 -12.403 -9.369 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -28.016 -14.356 -10.315 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -27.596 -12.849 -11.162 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -26.468 -13.547 -9.976 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -28.640 -14.328 -7.956 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -27.104 -13.538 -7.528 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -28.649 -12.805 -7.036 1.00 1.00 H new ATOM 260 N ALA A 16 -30.210 -9.382 -8.790 1.00 1.00 N ATOM 261 CA ALA A 16 -31.652 -9.244 -8.821 1.00 1.00 C ATOM 262 C ALA A 16 -32.236 -9.829 -10.109 1.00 1.00 C ATOM 263 O ALA A 16 -33.216 -9.323 -10.642 1.00 1.00 O ATOM 264 CB ALA A 16 -32.002 -7.779 -8.687 1.00 1.00 C ATOM 0 H ALA A 16 -29.716 -8.784 -9.452 1.00 1.00 H new ATOM 0 HA ALA A 16 -32.086 -9.802 -7.991 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -33.085 -7.660 -8.709 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -31.614 -7.397 -7.743 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -31.559 -7.222 -9.513 1.00 1.00 H new ATOM 270 N VAL A 17 -31.649 -10.914 -10.576 1.00 1.00 N ATOM 271 CA VAL A 17 -32.018 -11.529 -11.806 1.00 1.00 C ATOM 272 C VAL A 17 -33.437 -12.131 -11.764 1.00 1.00 C ATOM 273 O VAL A 17 -34.229 -11.939 -12.675 1.00 1.00 O ATOM 274 CB VAL A 17 -30.966 -12.588 -12.161 1.00 1.00 C ATOM 275 CG1 VAL A 17 -31.432 -13.434 -13.270 1.00 1.00 C ATOM 276 CG2 VAL A 17 -29.663 -11.923 -12.528 1.00 1.00 C ATOM 0 H VAL A 17 -30.889 -11.391 -10.091 1.00 1.00 H new ATOM 0 HA VAL A 17 -32.047 -10.765 -12.583 1.00 1.00 H new ATOM 0 HB VAL A 17 -30.808 -13.221 -11.288 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -30.671 -14.178 -13.505 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -32.354 -13.938 -12.981 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -31.617 -12.814 -14.147 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -28.924 -12.684 -12.778 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -29.817 -11.270 -13.387 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -29.305 -11.333 -11.684 1.00 1.00 H new ATOM 286 N GLY A 18 -33.753 -12.830 -10.702 1.00 1.00 N ATOM 287 CA GLY A 18 -35.061 -13.440 -10.610 1.00 1.00 C ATOM 288 C GLY A 18 -35.099 -14.577 -9.617 1.00 1.00 C ATOM 289 O GLY A 18 -35.453 -14.366 -8.470 1.00 1.00 O ATOM 0 H GLY A 18 -33.139 -12.990 -9.903 1.00 1.00 H new ATOM 0 HA2 GLY A 18 -35.791 -12.684 -10.321 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -35.356 -13.809 -11.592 1.00 1.00 H new ATOM 293 N PRO A 19 -34.663 -15.792 -10.012 1.00 1.00 N ATOM 294 CA PRO A 19 -34.726 -16.998 -9.142 1.00 1.00 C ATOM 295 C PRO A 19 -33.897 -16.845 -7.864 1.00 1.00 C ATOM 296 O PRO A 19 -34.141 -17.503 -6.863 1.00 1.00 O ATOM 297 CB PRO A 19 -34.116 -18.093 -10.030 1.00 1.00 C ATOM 298 CG PRO A 19 -33.291 -17.346 -11.013 1.00 1.00 C ATOM 299 CD PRO A 19 -34.067 -16.109 -11.320 1.00 1.00 C ATOM 0 HA PRO A 19 -35.741 -17.202 -8.803 1.00 1.00 H new ATOM 0 HB2 PRO A 19 -33.510 -18.787 -9.447 1.00 1.00 H new ATOM 0 HB3 PRO A 19 -34.889 -18.682 -10.524 1.00 1.00 H new ATOM 0 HG2 PRO A 19 -32.312 -17.104 -10.601 1.00 1.00 H new ATOM 0 HG3 PRO A 19 -33.121 -17.937 -11.913 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -33.427 -15.305 -11.683 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -34.826 -16.282 -12.083 1.00 1.00 H new ATOM 307 N GLY A 20 -32.914 -15.989 -7.927 1.00 1.00 N ATOM 308 CA GLY A 20 -32.088 -15.723 -6.791 1.00 1.00 C ATOM 309 C GLY A 20 -32.091 -14.253 -6.454 1.00 1.00 C ATOM 310 O GLY A 20 -31.142 -13.741 -5.863 1.00 1.00 O ATOM 0 H GLY A 20 -32.667 -15.461 -8.764 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -32.444 -16.297 -5.935 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -31.069 -16.052 -6.993 1.00 1.00 H new ATOM 314 N ALA A 21 -33.178 -13.568 -6.806 1.00 1.00 N ATOM 315 CA ALA A 21 -33.272 -12.115 -6.627 1.00 1.00 C ATOM 316 C ALA A 21 -33.528 -11.722 -5.174 1.00 1.00 C ATOM 317 O ALA A 21 -34.605 -11.243 -4.811 1.00 1.00 O ATOM 318 CB ALA A 21 -34.329 -11.519 -7.538 1.00 1.00 C ATOM 0 H ALA A 21 -34.008 -13.994 -7.218 1.00 1.00 H new ATOM 0 HA ALA A 21 -32.302 -11.703 -6.905 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -34.376 -10.441 -7.384 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -34.072 -11.726 -8.577 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -35.298 -11.961 -7.309 1.00 1.00 H new ATOM 324 N GLY A 22 -32.546 -11.957 -4.356 1.00 1.00 N ATOM 325 CA GLY A 22 -32.614 -11.566 -2.985 1.00 1.00 C ATOM 326 C GLY A 22 -32.324 -12.718 -2.094 1.00 1.00 C ATOM 327 O GLY A 22 -32.015 -12.558 -0.912 1.00 1.00 O ATOM 0 H GLY A 22 -31.679 -12.424 -4.622 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -31.900 -10.764 -2.795 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -33.605 -11.170 -2.764 1.00 1.00 H new ATOM 331 N GLU A 23 -32.385 -13.887 -2.668 1.00 1.00 N ATOM 332 CA GLU A 23 -32.207 -15.105 -1.934 1.00 1.00 C ATOM 333 C GLU A 23 -31.126 -15.995 -2.543 1.00 1.00 C ATOM 334 O GLU A 23 -31.153 -17.218 -2.399 1.00 1.00 O ATOM 335 CB GLU A 23 -33.533 -15.830 -1.867 1.00 1.00 C ATOM 336 CG GLU A 23 -34.233 -16.034 -3.211 1.00 1.00 C ATOM 337 CD GLU A 23 -35.598 -16.659 -3.047 1.00 1.00 C ATOM 338 OE1 GLU A 23 -36.501 -15.978 -2.533 1.00 1.00 O ATOM 339 OE2 GLU A 23 -35.781 -17.836 -3.426 1.00 1.00 O ATOM 0 H GLU A 23 -32.561 -14.021 -3.664 1.00 1.00 H new ATOM 0 HA GLU A 23 -31.867 -14.859 -0.928 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -33.373 -16.805 -1.407 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -34.200 -15.273 -1.209 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -34.332 -15.074 -3.718 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -33.617 -16.669 -3.848 1.00 1.00 H new ATOM 346 N ALA A 24 -30.177 -15.381 -3.209 1.00 1.00 N ATOM 347 CA ALA A 24 -29.100 -16.129 -3.825 1.00 1.00 C ATOM 348 C ALA A 24 -28.003 -16.421 -2.811 1.00 1.00 C ATOM 349 O ALA A 24 -28.061 -17.404 -2.078 1.00 1.00 O ATOM 350 CB ALA A 24 -28.534 -15.377 -5.012 1.00 1.00 C ATOM 0 H ALA A 24 -30.126 -14.371 -3.339 1.00 1.00 H new ATOM 0 HA ALA A 24 -29.505 -17.077 -4.180 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -27.727 -15.957 -5.459 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -29.320 -15.219 -5.751 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -28.148 -14.413 -4.681 1.00 1.00 H new ATOM 356 N GLN A 25 -27.020 -15.556 -2.763 1.00 1.00 N ATOM 357 CA GLN A 25 -25.929 -15.717 -1.864 1.00 1.00 C ATOM 358 C GLN A 25 -25.891 -14.611 -0.817 1.00 1.00 C ATOM 359 O GLN A 25 -26.071 -14.877 0.370 1.00 1.00 O ATOM 360 CB GLN A 25 -24.621 -15.809 -2.637 1.00 1.00 C ATOM 361 CG GLN A 25 -24.549 -14.893 -3.835 1.00 1.00 C ATOM 362 CD GLN A 25 -23.254 -15.001 -4.569 1.00 1.00 C ATOM 363 OE1 GLN A 25 -22.619 -16.048 -4.600 1.00 1.00 O ATOM 364 NE2 GLN A 25 -22.849 -13.923 -5.152 1.00 1.00 N ATOM 0 H GLN A 25 -26.964 -14.724 -3.350 1.00 1.00 H new ATOM 0 HA GLN A 25 -26.070 -16.652 -1.321 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -23.796 -15.575 -1.964 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -24.479 -16.837 -2.970 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -25.368 -15.127 -4.515 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -24.691 -13.863 -3.508 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -23.411 -13.073 -5.100 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -21.967 -13.921 -5.665 1.00 1.00 H new ATOM 373 N GLY A 26 -25.711 -13.372 -1.260 1.00 1.00 N ATOM 374 CA GLY A 26 -25.573 -12.275 -0.325 1.00 1.00 C ATOM 375 C GLY A 26 -24.248 -12.357 0.380 1.00 1.00 C ATOM 376 O GLY A 26 -24.173 -12.751 1.545 1.00 1.00 O ATOM 0 H GLY A 26 -25.659 -13.110 -2.244 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -25.654 -11.325 -0.853 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -26.383 -12.304 0.404 1.00 1.00 H new ATOM 380 N VAL A 27 -23.203 -12.004 -0.327 1.00 1.00 N ATOM 381 CA VAL A 27 -21.848 -12.140 0.189 1.00 1.00 C ATOM 382 C VAL A 27 -21.254 -10.775 0.468 1.00 1.00 C ATOM 383 O VAL A 27 -21.285 -9.910 -0.394 1.00 1.00 O ATOM 384 CB VAL A 27 -20.935 -12.882 -0.832 1.00 1.00 C ATOM 385 CG1 VAL A 27 -19.566 -13.190 -0.235 1.00 1.00 C ATOM 386 CG2 VAL A 27 -21.601 -14.146 -1.329 1.00 1.00 C ATOM 0 H VAL A 27 -23.258 -11.617 -1.269 1.00 1.00 H new ATOM 0 HA VAL A 27 -21.901 -12.719 1.111 1.00 1.00 H new ATOM 0 HB VAL A 27 -20.783 -12.218 -1.683 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -18.955 -13.708 -0.974 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -19.077 -12.259 0.053 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -19.686 -13.823 0.644 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -20.945 -14.647 -2.041 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -21.797 -14.809 -0.487 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -22.542 -13.893 -1.818 1.00 1.00 H new ATOM 396 N PRO A 28 -20.730 -10.547 1.670 1.00 1.00 N ATOM 397 CA PRO A 28 -20.084 -9.292 1.993 1.00 1.00 C ATOM 398 C PRO A 28 -18.721 -9.191 1.300 1.00 1.00 C ATOM 399 O PRO A 28 -17.767 -9.884 1.651 1.00 1.00 O ATOM 400 CB PRO A 28 -19.925 -9.338 3.515 1.00 1.00 C ATOM 401 CG PRO A 28 -19.926 -10.787 3.865 1.00 1.00 C ATOM 402 CD PRO A 28 -20.739 -11.485 2.811 1.00 1.00 C ATOM 0 HA PRO A 28 -20.655 -8.425 1.660 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -18.998 -8.858 3.829 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -20.740 -8.812 4.012 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -18.909 -11.179 3.893 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -20.356 -10.946 4.854 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -20.301 -12.446 2.541 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -21.754 -11.683 3.156 1.00 1.00 H new ATOM 410 N VAL A 29 -18.661 -8.352 0.317 1.00 1.00 N ATOM 411 CA VAL A 29 -17.471 -8.138 -0.466 1.00 1.00 C ATOM 412 C VAL A 29 -16.995 -6.726 -0.243 1.00 1.00 C ATOM 413 O VAL A 29 -17.807 -5.801 -0.141 1.00 1.00 O ATOM 414 CB VAL A 29 -17.739 -8.356 -1.973 1.00 1.00 C ATOM 415 CG1 VAL A 29 -16.475 -8.159 -2.804 1.00 1.00 C ATOM 416 CG2 VAL A 29 -18.365 -9.717 -2.226 1.00 1.00 C ATOM 0 H VAL A 29 -19.453 -7.780 0.023 1.00 1.00 H new ATOM 0 HA VAL A 29 -16.713 -8.856 -0.152 1.00 1.00 H new ATOM 0 HB VAL A 29 -18.454 -7.598 -2.292 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -16.703 -8.321 -3.857 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -16.103 -7.144 -2.665 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -15.715 -8.871 -2.484 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -18.542 -9.843 -3.294 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -17.691 -10.498 -1.876 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -19.312 -9.787 -1.690 1.00 1.00 H new ATOM 426 N LYS A 30 -15.708 -6.552 -0.121 1.00 1.00 N ATOM 427 CA LYS A 30 -15.186 -5.242 0.109 1.00 1.00 C ATOM 428 C LYS A 30 -14.658 -4.665 -1.159 1.00 1.00 C ATOM 429 O LYS A 30 -14.008 -5.350 -1.959 1.00 1.00 O ATOM 430 CB LYS A 30 -14.125 -5.220 1.184 1.00 1.00 C ATOM 431 CG LYS A 30 -14.628 -5.684 2.522 1.00 1.00 C ATOM 432 CD LYS A 30 -13.561 -5.512 3.574 1.00 1.00 C ATOM 433 CE LYS A 30 -14.032 -6.008 4.938 1.00 1.00 C ATOM 434 NZ LYS A 30 -12.997 -5.827 5.977 1.00 1.00 N ATOM 0 H LYS A 30 -15.011 -7.295 -0.177 1.00 1.00 H new ATOM 0 HA LYS A 30 -16.011 -4.627 0.468 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -13.292 -5.853 0.877 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -13.736 -4.206 1.281 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -15.516 -5.117 2.800 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -14.924 -6.731 2.463 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -12.665 -6.058 3.277 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -13.285 -4.460 3.644 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -14.935 -5.471 5.228 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -14.297 -7.063 4.869 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -13.356 -6.176 6.889 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -12.144 -6.360 5.714 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -12.762 -4.817 6.061 1.00 1.00 H new ATOM 448 N VAL A 31 -14.924 -3.436 -1.337 1.00 1.00 N ATOM 449 CA VAL A 31 -14.556 -2.730 -2.527 1.00 1.00 C ATOM 450 C VAL A 31 -14.179 -1.303 -2.130 1.00 1.00 C ATOM 451 O VAL A 31 -14.559 -0.852 -1.047 1.00 1.00 O ATOM 452 CB VAL A 31 -15.731 -2.767 -3.557 1.00 1.00 C ATOM 453 CG1 VAL A 31 -16.930 -1.987 -3.078 1.00 1.00 C ATOM 454 CG2 VAL A 31 -15.299 -2.329 -4.932 1.00 1.00 C ATOM 0 H VAL A 31 -15.416 -2.863 -0.652 1.00 1.00 H new ATOM 0 HA VAL A 31 -13.700 -3.198 -3.012 1.00 1.00 H new ATOM 0 HB VAL A 31 -16.037 -3.810 -3.637 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -17.721 -2.041 -3.826 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -17.288 -2.410 -2.139 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -16.648 -0.946 -2.922 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -16.150 -2.372 -5.612 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -14.922 -1.307 -4.887 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -14.512 -2.990 -5.294 1.00 1.00 H new ATOM 464 N LEU A 32 -13.431 -0.612 -2.950 1.00 1.00 N ATOM 465 CA LEU A 32 -12.993 0.714 -2.602 1.00 1.00 C ATOM 466 C LEU A 32 -14.022 1.751 -2.884 1.00 1.00 C ATOM 467 O LEU A 32 -14.873 1.598 -3.751 1.00 1.00 O ATOM 468 CB LEU A 32 -11.700 1.117 -3.280 1.00 1.00 C ATOM 469 CG LEU A 32 -10.413 0.529 -2.741 1.00 1.00 C ATOM 470 CD1 LEU A 32 -9.260 1.199 -3.424 1.00 1.00 C ATOM 471 CD2 LEU A 32 -10.313 0.731 -1.240 1.00 1.00 C ATOM 0 H LEU A 32 -13.113 -0.944 -3.861 1.00 1.00 H new ATOM 0 HA LEU A 32 -12.819 0.663 -1.527 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -11.776 0.850 -4.334 1.00 1.00 H new ATOM 0 HB3 LEU A 32 -11.619 2.203 -3.231 1.00 1.00 H new ATOM 0 HG LEU A 32 -10.397 -0.543 -2.937 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -8.324 0.787 -3.047 1.00 1.00 H new ATOM 0 HD12 LEU A 32 -9.325 1.028 -4.499 1.00 1.00 H new ATOM 0 HD13 LEU A 32 -9.291 2.270 -3.224 1.00 1.00 H new ATOM 0 HD21 LEU A 32 -9.380 0.300 -0.876 1.00 1.00 H new ATOM 0 HD22 LEU A 32 -10.333 1.797 -1.014 1.00 1.00 H new ATOM 0 HD23 LEU A 32 -11.154 0.241 -0.750 1.00 1.00 H new ATOM 483 N ASP A 33 -13.887 2.834 -2.164 1.00 1.00 N ATOM 484 CA ASP A 33 -14.735 4.018 -2.299 1.00 1.00 C ATOM 485 C ASP A 33 -14.554 4.594 -3.694 1.00 1.00 C ATOM 486 O ASP A 33 -15.527 5.113 -4.324 1.00 1.00 O ATOM 487 CB ASP A 33 -14.278 5.026 -1.218 1.00 1.00 C ATOM 488 CG ASP A 33 -14.870 6.421 -1.311 1.00 1.00 C ATOM 489 OD1 ASP A 33 -15.999 6.653 -0.819 1.00 1.00 O ATOM 490 OD2 ASP A 33 -14.177 7.323 -1.822 1.00 1.00 O ATOM 0 H ASP A 33 -13.170 2.932 -1.446 1.00 1.00 H new ATOM 0 HA ASP A 33 -15.791 3.783 -2.164 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -14.524 4.614 -0.239 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -13.192 5.110 -1.265 1.00 1.00 H new ATOM 495 N CYS A 34 -13.317 4.406 -4.198 1.00 1.00 N ATOM 496 CA CYS A 34 -12.840 4.904 -5.473 1.00 1.00 C ATOM 497 C CYS A 34 -13.193 3.966 -6.618 1.00 1.00 C ATOM 498 O CYS A 34 -13.005 4.315 -7.796 1.00 1.00 O ATOM 499 CB CYS A 34 -11.322 5.099 -5.401 1.00 1.00 C ATOM 500 SG CYS A 34 -10.590 6.028 -6.769 1.00 1.00 S ATOM 0 H CYS A 34 -12.604 3.878 -3.694 1.00 1.00 H new ATOM 0 HA CYS A 34 -13.331 5.856 -5.672 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -11.083 5.610 -4.469 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -10.849 4.118 -5.357 1.00 1.00 H new ATOM 0 HG CYS A 34 -11.224 5.751 -7.870 1.00 1.00 H new ATOM 506 N ASP A 35 -13.701 2.790 -6.302 1.00 1.00 N ATOM 507 CA ASP A 35 -14.061 1.858 -7.328 1.00 1.00 C ATOM 508 C ASP A 35 -15.291 2.337 -8.037 1.00 1.00 C ATOM 509 O ASP A 35 -16.275 2.773 -7.416 1.00 1.00 O ATOM 510 CB ASP A 35 -14.251 0.434 -6.797 1.00 1.00 C ATOM 511 CG ASP A 35 -12.952 -0.367 -6.730 1.00 1.00 C ATOM 512 OD1 ASP A 35 -12.311 -0.576 -7.776 1.00 1.00 O ATOM 513 OD2 ASP A 35 -12.566 -0.818 -5.633 1.00 1.00 O ATOM 0 H ASP A 35 -13.869 2.468 -5.349 1.00 1.00 H new ATOM 0 HA ASP A 35 -13.232 1.809 -8.034 1.00 1.00 H new ATOM 0 HB2 ASP A 35 -14.692 0.481 -5.801 1.00 1.00 H new ATOM 0 HB3 ASP A 35 -14.961 -0.092 -7.435 1.00 1.00 H new ATOM 518 N THR A 36 -15.220 2.285 -9.320 1.00 1.00 N ATOM 519 CA THR A 36 -16.274 2.726 -10.174 1.00 1.00 C ATOM 520 C THR A 36 -17.317 1.646 -10.300 1.00 1.00 C ATOM 521 O THR A 36 -17.161 0.572 -9.746 1.00 1.00 O ATOM 522 CB THR A 36 -15.739 3.099 -11.560 1.00 1.00 C ATOM 523 OG1 THR A 36 -15.210 1.935 -12.205 1.00 1.00 O ATOM 524 CG2 THR A 36 -14.650 4.143 -11.429 1.00 1.00 C ATOM 0 H THR A 36 -14.408 1.926 -9.821 1.00 1.00 H new ATOM 0 HA THR A 36 -16.724 3.615 -9.731 1.00 1.00 H new ATOM 0 HB THR A 36 -16.556 3.504 -12.158 1.00 1.00 H new ATOM 0 HG1 THR A 36 -14.730 2.201 -13.017 1.00 1.00 H new ATOM 0 HG21 THR A 36 -14.274 4.403 -12.419 1.00 1.00 H new ATOM 0 HG22 THR A 36 -15.056 5.034 -10.949 1.00 1.00 H new ATOM 0 HG23 THR A 36 -13.835 3.745 -10.825 1.00 1.00 H new ATOM 532 N ILE A 37 -18.382 1.922 -11.021 1.00 1.00 N ATOM 533 CA ILE A 37 -19.420 0.950 -11.203 1.00 1.00 C ATOM 534 C ILE A 37 -18.869 -0.287 -11.896 1.00 1.00 C ATOM 535 O ILE A 37 -19.122 -1.409 -11.427 1.00 1.00 O ATOM 536 CB ILE A 37 -20.655 1.526 -11.944 1.00 1.00 C ATOM 537 CG1 ILE A 37 -21.155 2.778 -11.214 1.00 1.00 C ATOM 538 CG2 ILE A 37 -21.769 0.488 -12.058 1.00 1.00 C ATOM 539 CD1 ILE A 37 -21.434 2.574 -9.753 1.00 1.00 C ATOM 0 H ILE A 37 -18.545 2.814 -11.488 1.00 1.00 H new ATOM 0 HA ILE A 37 -19.776 0.660 -10.214 1.00 1.00 H new ATOM 0 HB ILE A 37 -20.356 1.796 -12.957 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -20.412 3.568 -11.323 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -22.066 3.128 -11.700 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -22.620 0.923 -12.582 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -21.405 -0.377 -12.613 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -22.079 0.175 -11.061 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -21.783 3.509 -9.315 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -22.201 1.809 -9.632 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -20.521 2.256 -9.249 1.00 1.00 H new ATOM 551 N SER A 38 -18.104 -0.087 -12.962 1.00 1.00 N ATOM 552 CA SER A 38 -17.431 -1.174 -13.640 1.00 1.00 C ATOM 553 C SER A 38 -16.453 -1.886 -12.712 1.00 1.00 C ATOM 554 O SER A 38 -16.509 -3.112 -12.578 1.00 1.00 O ATOM 555 CB SER A 38 -16.674 -0.661 -14.875 1.00 1.00 C ATOM 556 OG SER A 38 -17.559 -0.285 -15.922 1.00 1.00 O ATOM 0 H SER A 38 -17.937 0.831 -13.375 1.00 1.00 H new ATOM 0 HA SER A 38 -18.198 -1.882 -13.953 1.00 1.00 H new ATOM 0 HB2 SER A 38 -16.060 0.195 -14.594 1.00 1.00 H new ATOM 0 HB3 SER A 38 -15.997 -1.436 -15.233 1.00 1.00 H new ATOM 0 HG SER A 38 -18.427 -0.033 -15.542 1.00 1.00 H new ATOM 562 N GLN A 39 -15.627 -1.112 -12.003 1.00 1.00 N ATOM 563 CA GLN A 39 -14.597 -1.688 -11.149 1.00 1.00 C ATOM 564 C GLN A 39 -15.221 -2.469 -10.016 1.00 1.00 C ATOM 565 O GLN A 39 -14.803 -3.573 -9.703 1.00 1.00 O ATOM 566 CB GLN A 39 -13.708 -0.605 -10.589 1.00 1.00 C ATOM 567 CG GLN A 39 -12.811 0.066 -11.611 1.00 1.00 C ATOM 568 CD GLN A 39 -12.114 1.282 -11.044 1.00 1.00 C ATOM 569 OE1 GLN A 39 -11.881 2.264 -11.745 1.00 1.00 O ATOM 570 NE2 GLN A 39 -11.796 1.248 -9.778 1.00 1.00 N ATOM 0 H GLN A 39 -15.654 -0.092 -12.006 1.00 1.00 H new ATOM 0 HA GLN A 39 -13.995 -2.364 -11.756 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -14.334 0.154 -10.120 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -13.085 -1.034 -9.804 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.066 -0.647 -11.963 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -13.405 0.360 -12.477 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.003 0.418 -9.222 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -11.341 2.051 -9.345 1.00 1.00 H new ATOM 579 N ALA A 40 -16.249 -1.909 -9.431 1.00 1.00 N ATOM 580 CA ALA A 40 -16.932 -2.546 -8.342 1.00 1.00 C ATOM 581 C ALA A 40 -17.564 -3.831 -8.771 1.00 1.00 C ATOM 582 O ALA A 40 -17.560 -4.771 -8.021 1.00 1.00 O ATOM 583 CB ALA A 40 -17.927 -1.628 -7.661 1.00 1.00 C ATOM 0 H ALA A 40 -16.632 -1.002 -9.697 1.00 1.00 H new ATOM 0 HA ALA A 40 -16.176 -2.784 -7.594 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -18.415 -2.161 -6.845 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -17.406 -0.757 -7.265 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -18.677 -1.305 -8.383 1.00 1.00 H new ATOM 589 N LYS A 41 -18.070 -3.886 -10.006 1.00 1.00 N ATOM 590 CA LYS A 41 -18.675 -5.122 -10.494 1.00 1.00 C ATOM 591 C LYS A 41 -17.632 -6.194 -10.484 1.00 1.00 C ATOM 592 O LYS A 41 -17.892 -7.311 -10.061 1.00 1.00 O ATOM 593 CB LYS A 41 -19.251 -4.987 -11.921 1.00 1.00 C ATOM 594 CG LYS A 41 -20.424 -4.022 -12.085 1.00 1.00 C ATOM 595 CD LYS A 41 -21.628 -4.392 -11.217 1.00 1.00 C ATOM 596 CE LYS A 41 -21.628 -3.623 -9.899 1.00 1.00 C ATOM 597 NZ LYS A 41 -21.475 -2.162 -10.110 1.00 1.00 N ATOM 0 H LYS A 41 -18.073 -3.110 -10.669 1.00 1.00 H new ATOM 0 HA LYS A 41 -19.509 -5.367 -9.836 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -18.449 -4.667 -12.586 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -19.569 -5.974 -12.257 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -20.096 -3.014 -11.831 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -20.729 -4.004 -13.131 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -22.548 -4.181 -11.762 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -21.616 -5.463 -11.014 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -22.559 -3.817 -9.366 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -20.817 -3.985 -9.267 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -21.795 -1.653 -9.261 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -20.475 -1.940 -10.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -22.048 -1.867 -10.927 1.00 1.00 H new ATOM 611 N GLU A 42 -16.433 -5.810 -10.875 1.00 1.00 N ATOM 612 CA GLU A 42 -15.334 -6.720 -10.994 1.00 1.00 C ATOM 613 C GLU A 42 -14.950 -7.270 -9.640 1.00 1.00 C ATOM 614 O GLU A 42 -14.849 -8.465 -9.463 1.00 1.00 O ATOM 615 CB GLU A 42 -14.144 -6.020 -11.618 1.00 1.00 C ATOM 616 CG GLU A 42 -14.420 -5.461 -12.992 1.00 1.00 C ATOM 617 CD GLU A 42 -13.189 -4.872 -13.610 1.00 1.00 C ATOM 618 OE1 GLU A 42 -12.415 -5.635 -14.211 1.00 1.00 O ATOM 619 OE2 GLU A 42 -12.969 -3.654 -13.490 1.00 1.00 O ATOM 0 H GLU A 42 -16.202 -4.847 -11.119 1.00 1.00 H new ATOM 0 HA GLU A 42 -15.641 -7.547 -11.634 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -13.826 -5.209 -10.963 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -13.313 -6.722 -11.682 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -14.807 -6.251 -13.635 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -15.194 -4.697 -12.925 1.00 1.00 H new ATOM 626 N LYS A 43 -14.781 -6.386 -8.677 1.00 1.00 N ATOM 627 CA LYS A 43 -14.399 -6.784 -7.324 1.00 1.00 C ATOM 628 C LYS A 43 -15.476 -7.625 -6.636 1.00 1.00 C ATOM 629 O LYS A 43 -15.163 -8.613 -5.960 1.00 1.00 O ATOM 630 CB LYS A 43 -14.020 -5.568 -6.453 1.00 1.00 C ATOM 631 CG LYS A 43 -12.597 -5.025 -6.681 1.00 1.00 C ATOM 632 CD LYS A 43 -12.467 -4.265 -7.991 1.00 1.00 C ATOM 633 CE LYS A 43 -11.063 -3.721 -8.209 1.00 1.00 C ATOM 634 NZ LYS A 43 -10.715 -2.671 -7.224 1.00 1.00 N ATOM 0 H LYS A 43 -14.901 -5.381 -8.801 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.514 -7.412 -7.432 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -14.734 -4.767 -6.643 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -14.124 -5.845 -5.404 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -12.326 -4.368 -5.855 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -11.890 -5.854 -6.674 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -12.731 -4.924 -8.818 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -13.179 -3.440 -8.001 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -10.343 -4.537 -8.139 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -10.985 -3.313 -9.217 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -9.692 -2.694 -7.039 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -10.977 -1.739 -7.603 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -11.231 -2.842 -6.338 1.00 1.00 H new ATOM 648 N MET A 44 -16.731 -7.238 -6.823 1.00 1.00 N ATOM 649 CA MET A 44 -17.854 -7.935 -6.199 1.00 1.00 C ATOM 650 C MET A 44 -17.955 -9.355 -6.760 1.00 1.00 C ATOM 651 O MET A 44 -18.136 -10.318 -6.011 1.00 1.00 O ATOM 652 CB MET A 44 -19.181 -7.218 -6.497 1.00 1.00 C ATOM 653 CG MET A 44 -19.284 -5.792 -5.960 1.00 1.00 C ATOM 654 SD MET A 44 -18.926 -5.621 -4.211 1.00 1.00 S ATOM 655 CE MET A 44 -20.207 -6.625 -3.511 1.00 1.00 C ATOM 0 H MET A 44 -17.000 -6.443 -7.403 1.00 1.00 H new ATOM 0 HA MET A 44 -17.679 -7.952 -5.123 1.00 1.00 H new ATOM 0 HB2 MET A 44 -19.328 -7.194 -7.577 1.00 1.00 H new ATOM 0 HB3 MET A 44 -19.996 -7.807 -6.077 1.00 1.00 H new ATOM 0 HG2 MET A 44 -18.598 -5.157 -6.521 1.00 1.00 H new ATOM 0 HG3 MET A 44 -20.291 -5.419 -6.149 1.00 1.00 H new ATOM 0 HE1 MET A 44 -20.304 -6.403 -2.448 1.00 1.00 H new ATOM 0 HE2 MET A 44 -21.151 -6.413 -4.013 1.00 1.00 H new ATOM 0 HE3 MET A 44 -19.956 -7.678 -3.640 1.00 1.00 H new ATOM 665 N LEU A 45 -17.807 -9.486 -8.081 1.00 1.00 N ATOM 666 CA LEU A 45 -17.903 -10.783 -8.727 1.00 1.00 C ATOM 667 C LEU A 45 -16.656 -11.608 -8.495 1.00 1.00 C ATOM 668 O LEU A 45 -16.714 -12.809 -8.449 1.00 1.00 O ATOM 669 CB LEU A 45 -18.271 -10.679 -10.253 1.00 1.00 C ATOM 670 CG LEU A 45 -17.278 -9.984 -11.222 1.00 1.00 C ATOM 671 CD1 LEU A 45 -16.124 -10.898 -11.621 1.00 1.00 C ATOM 672 CD2 LEU A 45 -18.011 -9.498 -12.465 1.00 1.00 C ATOM 0 H LEU A 45 -17.621 -8.709 -8.715 1.00 1.00 H new ATOM 0 HA LEU A 45 -18.734 -11.307 -8.256 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -18.435 -11.692 -10.621 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -19.224 -10.154 -10.326 1.00 1.00 H new ATOM 0 HG LEU A 45 -16.851 -9.133 -10.692 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -15.457 -10.366 -12.299 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -15.572 -11.198 -10.730 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -16.517 -11.784 -12.119 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -17.304 -9.012 -13.138 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -18.470 -10.347 -12.972 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -18.785 -8.787 -12.176 1.00 1.00 H new ATOM 684 N ASP A 46 -15.548 -10.931 -8.287 1.00 1.00 N ATOM 685 CA ASP A 46 -14.209 -11.534 -8.127 1.00 1.00 C ATOM 686 C ASP A 46 -14.151 -12.572 -7.014 1.00 1.00 C ATOM 687 O ASP A 46 -13.360 -13.498 -7.071 1.00 1.00 O ATOM 688 CB ASP A 46 -13.167 -10.430 -7.895 1.00 1.00 C ATOM 689 CG ASP A 46 -11.792 -10.936 -7.539 1.00 1.00 C ATOM 690 OD1 ASP A 46 -11.066 -11.438 -8.429 1.00 1.00 O ATOM 691 OD2 ASP A 46 -11.406 -10.829 -6.355 1.00 1.00 O ATOM 0 H ASP A 46 -15.535 -9.913 -8.220 1.00 1.00 H new ATOM 0 HA ASP A 46 -13.982 -12.066 -9.051 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -13.095 -9.821 -8.796 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -13.519 -9.777 -7.096 1.00 1.00 H new ATOM 696 N GLN A 47 -14.995 -12.423 -6.017 1.00 1.00 N ATOM 697 CA GLN A 47 -14.995 -13.332 -4.884 1.00 1.00 C ATOM 698 C GLN A 47 -15.490 -14.705 -5.304 1.00 1.00 C ATOM 699 O GLN A 47 -15.080 -15.729 -4.754 1.00 1.00 O ATOM 700 CB GLN A 47 -15.898 -12.821 -3.771 1.00 1.00 C ATOM 701 CG GLN A 47 -15.517 -11.488 -3.166 1.00 1.00 C ATOM 702 CD GLN A 47 -14.170 -11.472 -2.474 1.00 1.00 C ATOM 703 OE1 GLN A 47 -13.624 -12.504 -2.094 1.00 1.00 O ATOM 704 NE2 GLN A 47 -13.651 -10.299 -2.267 1.00 1.00 N ATOM 0 H GLN A 47 -15.693 -11.681 -5.965 1.00 1.00 H new ATOM 0 HA GLN A 47 -13.969 -13.396 -4.521 1.00 1.00 H new ATOM 0 HB2 GLN A 47 -16.913 -12.744 -4.161 1.00 1.00 H new ATOM 0 HB3 GLN A 47 -15.918 -13.566 -2.976 1.00 1.00 H new ATOM 0 HG2 GLN A 47 -15.516 -10.734 -3.953 1.00 1.00 H new ATOM 0 HG3 GLN A 47 -16.283 -11.198 -2.447 1.00 1.00 H new ATOM 0 HE21 GLN A 47 -14.133 -9.463 -2.597 1.00 1.00 H new ATOM 0 HE22 GLN A 47 -12.762 -10.214 -1.775 1.00 1.00 H new ATOM 713 N LEU A 48 -16.377 -14.724 -6.275 1.00 1.00 N ATOM 714 CA LEU A 48 -17.013 -15.943 -6.676 1.00 1.00 C ATOM 715 C LEU A 48 -16.678 -16.327 -8.122 1.00 1.00 C ATOM 716 O LEU A 48 -16.708 -17.494 -8.488 1.00 1.00 O ATOM 717 CB LEU A 48 -18.506 -15.821 -6.444 1.00 1.00 C ATOM 718 CG LEU A 48 -19.237 -14.719 -7.207 1.00 1.00 C ATOM 719 CD1 LEU A 48 -20.579 -15.216 -7.655 1.00 1.00 C ATOM 720 CD2 LEU A 48 -19.408 -13.483 -6.334 1.00 1.00 C ATOM 0 H LEU A 48 -16.670 -13.900 -6.799 1.00 1.00 H new ATOM 0 HA LEU A 48 -16.627 -16.759 -6.065 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -18.968 -16.774 -6.700 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -18.672 -15.663 -5.378 1.00 1.00 H new ATOM 0 HG LEU A 48 -18.642 -14.447 -8.079 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -21.097 -14.426 -8.199 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -20.448 -16.080 -8.307 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -21.169 -15.504 -6.785 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -19.931 -12.710 -6.897 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -19.987 -13.741 -5.447 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -18.428 -13.112 -6.032 1.00 1.00 H new ATOM 964 N LEU A 63 -24.941 -3.816 -18.453 1.00 1.00 N ATOM 965 CA LEU A 63 -25.836 -4.290 -17.423 1.00 1.00 C ATOM 966 C LEU A 63 -25.976 -3.252 -16.346 1.00 1.00 C ATOM 967 O LEU A 63 -25.168 -2.323 -16.263 1.00 1.00 O ATOM 968 CB LEU A 63 -25.567 -5.765 -16.911 1.00 1.00 C ATOM 969 CG LEU A 63 -24.428 -6.094 -15.897 1.00 1.00 C ATOM 970 CD1 LEU A 63 -23.093 -5.676 -16.395 1.00 1.00 C ATOM 971 CD2 LEU A 63 -24.694 -5.555 -14.497 1.00 1.00 C ATOM 0 HA LEU A 63 -26.816 -4.414 -17.883 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -26.497 -6.117 -16.464 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -25.387 -6.377 -17.795 1.00 1.00 H new ATOM 0 HG LEU A 63 -24.421 -7.181 -15.812 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -22.334 -5.926 -15.654 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -22.874 -6.195 -17.328 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -23.090 -4.600 -16.568 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -23.864 -5.819 -13.842 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -24.794 -4.470 -14.538 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -25.615 -5.990 -14.109 1.00 1.00 H new ATOM 983 N ASP A 64 -26.993 -3.362 -15.564 1.00 1.00 N ATOM 984 CA ASP A 64 -27.300 -2.359 -14.606 1.00 1.00 C ATOM 985 C ASP A 64 -27.281 -2.908 -13.231 1.00 1.00 C ATOM 986 O ASP A 64 -27.505 -4.109 -13.022 1.00 1.00 O ATOM 987 CB ASP A 64 -28.647 -1.672 -14.909 1.00 1.00 C ATOM 988 CG ASP A 64 -29.608 -2.490 -15.792 1.00 1.00 C ATOM 989 OD1 ASP A 64 -29.323 -2.681 -16.980 1.00 1.00 O ATOM 990 OD2 ASP A 64 -30.666 -2.901 -15.324 1.00 1.00 O ATOM 0 H ASP A 64 -27.637 -4.153 -15.571 1.00 1.00 H new ATOM 0 HA ASP A 64 -26.523 -1.598 -14.676 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -29.145 -1.449 -13.965 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -28.450 -0.718 -15.399 1.00 1.00 H new ATOM 995 N VAL A 65 -26.991 -2.065 -12.286 1.00 1.00 N ATOM 996 CA VAL A 65 -26.977 -2.492 -10.934 1.00 1.00 C ATOM 997 C VAL A 65 -27.921 -1.633 -10.128 1.00 1.00 C ATOM 998 O VAL A 65 -27.900 -0.397 -10.239 1.00 1.00 O ATOM 999 CB VAL A 65 -25.516 -2.452 -10.315 1.00 1.00 C ATOM 1000 CG1 VAL A 65 -24.850 -1.100 -10.482 1.00 1.00 C ATOM 1001 CG2 VAL A 65 -25.506 -2.861 -8.848 1.00 1.00 C ATOM 0 H VAL A 65 -26.763 -1.082 -12.433 1.00 1.00 H new ATOM 0 HA VAL A 65 -27.308 -3.530 -10.900 1.00 1.00 H new ATOM 0 HB VAL A 65 -24.937 -3.182 -10.880 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -23.854 -1.128 -10.041 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -24.771 -0.862 -11.543 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -25.446 -0.336 -9.982 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -24.486 -2.819 -8.466 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -26.136 -2.180 -8.276 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -25.889 -3.877 -8.751 1.00 1.00 H new ATOM 1011 N GLU A 66 -28.755 -2.262 -9.336 1.00 1.00 N ATOM 1012 CA GLU A 66 -29.558 -1.517 -8.445 1.00 1.00 C ATOM 1013 C GLU A 66 -28.752 -1.407 -7.222 1.00 1.00 C ATOM 1014 O GLU A 66 -28.473 -2.415 -6.543 1.00 1.00 O ATOM 1015 CB GLU A 66 -30.850 -2.218 -8.029 1.00 1.00 C ATOM 1016 CG GLU A 66 -31.933 -2.414 -9.041 1.00 1.00 C ATOM 1017 CD GLU A 66 -33.192 -2.878 -8.335 1.00 1.00 C ATOM 1018 OE1 GLU A 66 -33.347 -4.082 -8.098 1.00 1.00 O ATOM 1019 OE2 GLU A 66 -34.034 -2.019 -7.952 1.00 1.00 O ATOM 0 H GLU A 66 -28.883 -3.273 -9.302 1.00 1.00 H new ATOM 0 HA GLU A 66 -29.837 -0.582 -8.931 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -30.580 -3.201 -7.643 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -31.276 -1.655 -7.198 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -32.122 -1.483 -9.575 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -31.625 -3.150 -9.784 1.00 1.00 H new ATOM 1026 N TRP A 67 -28.346 -0.254 -6.939 1.00 1.00 N ATOM 1027 CA TRP A 67 -27.617 -0.061 -5.791 1.00 1.00 C ATOM 1028 C TRP A 67 -28.546 0.281 -4.698 1.00 1.00 C ATOM 1029 O TRP A 67 -29.240 1.297 -4.741 1.00 1.00 O ATOM 1030 CB TRP A 67 -26.570 0.994 -5.958 1.00 1.00 C ATOM 1031 CG TRP A 67 -25.538 0.880 -4.911 1.00 1.00 C ATOM 1032 CD1 TRP A 67 -25.740 0.995 -3.577 1.00 1.00 C ATOM 1033 CD2 TRP A 67 -24.159 0.614 -5.097 1.00 1.00 C ATOM 1034 NE1 TRP A 67 -24.610 0.800 -2.902 1.00 1.00 N ATOM 1035 CE2 TRP A 67 -23.579 0.574 -3.827 1.00 1.00 C ATOM 1036 CE3 TRP A 67 -23.352 0.401 -6.226 1.00 1.00 C ATOM 1037 CZ2 TRP A 67 -22.209 0.335 -3.655 1.00 1.00 C ATOM 1038 CZ3 TRP A 67 -22.009 0.167 -6.049 1.00 1.00 C ATOM 1039 CH2 TRP A 67 -21.452 0.134 -4.775 1.00 1.00 C ATOM 0 H TRP A 67 -28.512 0.581 -7.500 1.00 1.00 H new ATOM 0 HA TRP A 67 -27.085 -0.982 -5.553 1.00 1.00 H new ATOM 0 HB2 TRP A 67 -26.108 0.902 -6.941 1.00 1.00 H new ATOM 0 HB3 TRP A 67 -27.031 1.981 -5.914 1.00 1.00 H new ATOM 0 HD1 TRP A 67 -26.694 1.216 -3.121 1.00 1.00 H new ATOM 0 HE1 TRP A 67 -24.510 0.813 -1.887 1.00 1.00 H new ATOM 0 HE3 TRP A 67 -23.779 0.421 -7.218 1.00 1.00 H new ATOM 0 HZ2 TRP A 67 -21.766 0.310 -2.670 1.00 1.00 H new ATOM 0 HZ3 TRP A 67 -21.378 0.007 -6.911 1.00 1.00 H new ATOM 0 HH2 TRP A 67 -20.394 -0.055 -4.668 1.00 1.00 H new ATOM 1050 N ARG A 68 -28.561 -0.543 -3.723 1.00 1.00 N ATOM 1051 CA ARG A 68 -29.404 -0.369 -2.633 1.00 1.00 C ATOM 1052 C ARG A 68 -28.541 0.128 -1.510 1.00 1.00 C ATOM 1053 O ARG A 68 -27.960 -0.630 -0.738 1.00 1.00 O ATOM 1054 CB ARG A 68 -30.078 -1.707 -2.330 1.00 1.00 C ATOM 1055 CG ARG A 68 -30.845 -2.238 -3.544 1.00 1.00 C ATOM 1056 CD ARG A 68 -31.403 -3.633 -3.345 1.00 1.00 C ATOM 1057 NE ARG A 68 -32.065 -4.114 -4.572 1.00 1.00 N ATOM 1058 CZ ARG A 68 -32.702 -5.285 -4.707 1.00 1.00 C ATOM 1059 NH1 ARG A 68 -32.769 -6.139 -3.684 1.00 1.00 N ATOM 1060 NH2 ARG A 68 -33.259 -5.600 -5.876 1.00 1.00 N ATOM 0 H ARG A 68 -27.970 -1.373 -3.670 1.00 1.00 H new ATOM 0 HA ARG A 68 -30.202 0.352 -2.807 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -29.325 -2.435 -2.028 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -30.762 -1.589 -1.490 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -31.665 -1.557 -3.772 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -30.182 -2.241 -4.410 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -30.599 -4.315 -3.069 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -32.115 -3.630 -2.520 1.00 1.00 H new ATOM 0 HE ARG A 68 -32.035 -3.503 -5.388 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -32.334 -5.902 -2.792 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -33.256 -7.029 -3.793 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -33.199 -4.951 -6.661 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -33.745 -6.490 -5.986 1.00 1.00 H new ATOM 1074 N SER A 69 -28.424 1.414 -1.471 1.00 1.00 N ATOM 1075 CA SER A 69 -27.622 2.087 -0.502 1.00 1.00 C ATOM 1076 C SER A 69 -28.449 2.400 0.701 1.00 1.00 C ATOM 1077 O SER A 69 -27.939 2.712 1.766 1.00 1.00 O ATOM 1078 CB SER A 69 -27.073 3.372 -1.117 1.00 1.00 C ATOM 1079 OG SER A 69 -28.130 4.162 -1.650 1.00 1.00 O ATOM 0 H SER A 69 -28.893 2.040 -2.126 1.00 1.00 H new ATOM 0 HA SER A 69 -26.791 1.450 -0.198 1.00 1.00 H new ATOM 0 HB2 SER A 69 -26.531 3.941 -0.361 1.00 1.00 H new ATOM 0 HB3 SER A 69 -26.360 3.129 -1.905 1.00 1.00 H new ATOM 0 HG SER A 69 -28.068 4.174 -2.628 1.00 1.00 H new ATOM 1085 N GLY A 70 -29.724 2.325 0.515 1.00 1.00 N ATOM 1086 CA GLY A 70 -30.671 2.637 1.570 1.00 1.00 C ATOM 1087 C GLY A 70 -30.837 4.139 1.756 1.00 1.00 C ATOM 1088 O GLY A 70 -31.944 4.651 1.738 1.00 1.00 O ATOM 0 H GLY A 70 -30.154 2.047 -0.367 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -31.637 2.191 1.334 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -30.333 2.190 2.505 1.00 1.00 H new ATOM 1092 N VAL A 71 -29.716 4.838 1.899 1.00 1.00 N ATOM 1093 CA VAL A 71 -29.699 6.286 2.075 1.00 1.00 C ATOM 1094 C VAL A 71 -30.248 6.999 0.827 1.00 1.00 C ATOM 1095 O VAL A 71 -30.966 7.984 0.931 1.00 1.00 O ATOM 1096 CB VAL A 71 -28.270 6.820 2.442 1.00 1.00 C ATOM 1097 CG1 VAL A 71 -27.812 6.230 3.764 1.00 1.00 C ATOM 1098 CG2 VAL A 71 -27.243 6.509 1.350 1.00 1.00 C ATOM 0 H VAL A 71 -28.788 4.414 1.896 1.00 1.00 H new ATOM 0 HA VAL A 71 -30.353 6.514 2.917 1.00 1.00 H new ATOM 0 HB VAL A 71 -28.342 7.904 2.531 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -26.819 6.609 4.007 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -28.511 6.514 4.551 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -27.777 5.143 3.685 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -26.268 6.897 1.646 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -27.177 5.430 1.209 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -27.552 6.978 0.416 1.00 1.00 H new ATOM 1108 N ALA A 72 -29.907 6.478 -0.339 1.00 1.00 N ATOM 1109 CA ALA A 72 -30.395 7.008 -1.603 1.00 1.00 C ATOM 1110 C ALA A 72 -31.423 6.052 -2.169 1.00 1.00 C ATOM 1111 O ALA A 72 -31.882 6.186 -3.305 1.00 1.00 O ATOM 1112 CB ALA A 72 -29.247 7.156 -2.562 1.00 1.00 C ATOM 0 H ALA A 72 -29.284 5.676 -0.437 1.00 1.00 H new ATOM 0 HA ALA A 72 -30.852 7.985 -1.447 1.00 1.00 H new ATOM 0 HB1 ALA A 72 -29.613 7.553 -3.509 1.00 1.00 H new ATOM 0 HB2 ALA A 72 -28.509 7.840 -2.143 1.00 1.00 H new ATOM 0 HB3 ALA A 72 -28.786 6.183 -2.731 1.00 1.00 H new ATOM 1118 N GLY A 73 -31.749 5.080 -1.363 1.00 1.00 N ATOM 1119 CA GLY A 73 -32.682 4.063 -1.717 1.00 1.00 C ATOM 1120 C GLY A 73 -32.061 3.068 -2.646 1.00 1.00 C ATOM 1121 O GLY A 73 -30.930 2.590 -2.404 1.00 1.00 O ATOM 0 H GLY A 73 -31.362 4.976 -0.425 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -33.033 3.557 -0.818 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -33.554 4.513 -2.190 1.00 1.00 H new ATOM 1125 N HIS A 74 -32.760 2.765 -3.688 1.00 1.00 N ATOM 1126 CA HIS A 74 -32.270 1.865 -4.701 1.00 1.00 C ATOM 1127 C HIS A 74 -32.144 2.610 -6.014 1.00 1.00 C ATOM 1128 O HIS A 74 -33.125 2.853 -6.720 1.00 1.00 O ATOM 1129 CB HIS A 74 -33.083 0.529 -4.820 1.00 1.00 C ATOM 1130 CG HIS A 74 -34.513 0.642 -5.301 1.00 1.00 C ATOM 1131 ND1 HIS A 74 -34.986 0.013 -6.442 1.00 1.00 N ATOM 1132 CD2 HIS A 74 -35.566 1.310 -4.786 1.00 1.00 C ATOM 1133 CE1 HIS A 74 -36.265 0.306 -6.595 1.00 1.00 C ATOM 1134 NE2 HIS A 74 -36.634 1.082 -5.609 1.00 1.00 N ATOM 0 H HIS A 74 -33.694 3.132 -3.870 1.00 1.00 H new ATOM 0 HA HIS A 74 -31.280 1.527 -4.395 1.00 1.00 H new ATOM 0 HB2 HIS A 74 -32.548 -0.135 -5.498 1.00 1.00 H new ATOM 0 HB3 HIS A 74 -33.090 0.047 -3.842 1.00 1.00 H new ATOM 0 HD1 HIS A 74 -34.436 -0.580 -7.063 1.00 1.00 H new ATOM 0 HD2 HIS A 74 -35.566 1.913 -3.890 1.00 1.00 H new ATOM 0 HE1 HIS A 74 -36.899 -0.037 -7.399 1.00 1.00 H new ATOM 1143 N LEU A 75 -30.943 2.971 -6.315 1.00 1.00 N ATOM 1144 CA LEU A 75 -30.639 3.779 -7.456 1.00 1.00 C ATOM 1145 C LEU A 75 -29.994 2.902 -8.488 1.00 1.00 C ATOM 1146 O LEU A 75 -29.259 1.978 -8.149 1.00 1.00 O ATOM 1147 CB LEU A 75 -29.671 4.898 -7.032 1.00 1.00 C ATOM 1148 CG LEU A 75 -29.867 6.297 -7.663 1.00 1.00 C ATOM 1149 CD1 LEU A 75 -29.478 6.312 -9.131 1.00 1.00 C ATOM 1150 CD2 LEU A 75 -31.294 6.795 -7.473 1.00 1.00 C ATOM 0 H LEU A 75 -30.125 2.709 -5.765 1.00 1.00 H new ATOM 0 HA LEU A 75 -31.542 4.230 -7.867 1.00 1.00 H new ATOM 0 HB2 LEU A 75 -29.737 5.006 -5.949 1.00 1.00 H new ATOM 0 HB3 LEU A 75 -28.657 4.568 -7.258 1.00 1.00 H new ATOM 0 HG LEU A 75 -29.199 6.981 -7.140 1.00 1.00 H new ATOM 0 HD11 LEU A 75 -29.630 7.312 -9.537 1.00 1.00 H new ATOM 0 HD12 LEU A 75 -28.429 6.035 -9.232 1.00 1.00 H new ATOM 0 HD13 LEU A 75 -30.096 5.600 -9.678 1.00 1.00 H new ATOM 0 HD21 LEU A 75 -31.399 7.780 -7.927 1.00 1.00 H new ATOM 0 HD22 LEU A 75 -31.988 6.101 -7.947 1.00 1.00 H new ATOM 0 HD23 LEU A 75 -31.518 6.861 -6.408 1.00 1.00 H new ATOM 1162 N ILE A 76 -30.276 3.150 -9.734 1.00 1.00 N ATOM 1163 CA ILE A 76 -29.698 2.362 -10.780 1.00 1.00 C ATOM 1164 C ILE A 76 -28.377 2.984 -11.173 1.00 1.00 C ATOM 1165 O ILE A 76 -28.333 4.062 -11.773 1.00 1.00 O ATOM 1166 CB ILE A 76 -30.636 2.282 -12.009 1.00 1.00 C ATOM 1167 CG1 ILE A 76 -32.074 1.911 -11.576 1.00 1.00 C ATOM 1168 CG2 ILE A 76 -30.099 1.277 -13.025 1.00 1.00 C ATOM 1169 CD1 ILE A 76 -32.159 0.697 -10.673 1.00 1.00 C ATOM 0 H ILE A 76 -30.902 3.891 -10.049 1.00 1.00 H new ATOM 0 HA ILE A 76 -29.546 1.345 -10.419 1.00 1.00 H new ATOM 0 HB ILE A 76 -30.669 3.263 -12.482 1.00 1.00 H new ATOM 0 HG12 ILE A 76 -32.518 2.764 -11.062 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -32.674 1.729 -12.468 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -30.770 1.233 -13.883 1.00 1.00 H new ATOM 0 HG22 ILE A 76 -29.108 1.588 -13.355 1.00 1.00 H new ATOM 0 HG23 ILE A 76 -30.035 0.292 -12.563 1.00 1.00 H new ATOM 0 HD11 ILE A 76 -33.201 0.506 -10.417 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -31.748 -0.170 -11.190 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -31.589 0.880 -9.762 1.00 1.00 H new ATOM 1181 N LEU A 77 -27.322 2.317 -10.826 1.00 1.00 N ATOM 1182 CA LEU A 77 -25.994 2.827 -11.048 1.00 1.00 C ATOM 1183 C LEU A 77 -25.338 2.230 -12.278 1.00 1.00 C ATOM 1184 O LEU A 77 -25.524 1.058 -12.603 1.00 1.00 O ATOM 1185 CB LEU A 77 -25.092 2.643 -9.813 1.00 1.00 C ATOM 1186 CG LEU A 77 -25.101 3.751 -8.735 1.00 1.00 C ATOM 1187 CD1 LEU A 77 -26.496 4.062 -8.275 1.00 1.00 C ATOM 1188 CD2 LEU A 77 -24.295 3.300 -7.561 1.00 1.00 C ATOM 0 H LEU A 77 -27.351 1.401 -10.379 1.00 1.00 H new ATOM 0 HA LEU A 77 -26.112 3.896 -11.226 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -25.373 1.706 -9.331 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -24.066 2.526 -10.163 1.00 1.00 H new ATOM 0 HG LEU A 77 -24.675 4.653 -9.174 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -26.463 4.845 -7.518 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -27.091 4.402 -9.123 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -26.948 3.165 -7.851 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -24.298 4.078 -6.797 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -24.728 2.388 -7.151 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -23.270 3.105 -7.877 1.00 1.00 H new ATOM 1200 N SER A 78 -24.586 3.056 -12.928 1.00 1.00 N ATOM 1201 CA SER A 78 -23.823 2.745 -14.092 1.00 1.00 C ATOM 1202 C SER A 78 -22.695 3.716 -14.093 1.00 1.00 C ATOM 1203 O SER A 78 -22.863 4.844 -13.626 1.00 1.00 O ATOM 1204 CB SER A 78 -24.609 3.002 -15.359 1.00 1.00 C ATOM 1205 OG SER A 78 -25.800 2.244 -15.463 1.00 1.00 O ATOM 0 H SER A 78 -24.482 4.029 -12.641 1.00 1.00 H new ATOM 0 HA SER A 78 -23.524 1.697 -14.070 1.00 1.00 H new ATOM 0 HB2 SER A 78 -24.860 4.062 -15.410 1.00 1.00 H new ATOM 0 HB3 SER A 78 -23.975 2.783 -16.218 1.00 1.00 H new ATOM 0 HG SER A 78 -26.255 2.463 -16.303 1.00 1.00 H new ATOM 1211 N ASP A 79 -21.566 3.329 -14.559 1.00 1.00 N ATOM 1212 CA ASP A 79 -20.487 4.263 -14.661 1.00 1.00 C ATOM 1213 C ASP A 79 -20.711 5.213 -15.811 1.00 1.00 C ATOM 1214 O ASP A 79 -20.476 6.412 -15.670 1.00 1.00 O ATOM 1215 CB ASP A 79 -19.140 3.582 -14.743 1.00 1.00 C ATOM 1216 CG ASP A 79 -19.180 2.368 -15.590 1.00 1.00 C ATOM 1217 OD1 ASP A 79 -19.020 2.475 -16.796 1.00 1.00 O ATOM 1218 OD2 ASP A 79 -19.408 1.288 -15.032 1.00 1.00 O ATOM 0 H ASP A 79 -21.357 2.382 -14.876 1.00 1.00 H new ATOM 0 HA ASP A 79 -20.473 4.847 -13.741 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -18.405 4.280 -15.145 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -18.809 3.313 -13.740 1.00 1.00 H new ATOM 1223 N GLU A 80 -21.200 4.695 -16.928 1.00 1.00 N ATOM 1224 CA GLU A 80 -21.469 5.510 -18.096 1.00 1.00 C ATOM 1225 C GLU A 80 -22.865 5.265 -18.663 1.00 1.00 C ATOM 1226 O GLU A 80 -23.046 4.389 -19.493 1.00 1.00 O ATOM 1227 CB GLU A 80 -20.430 5.254 -19.177 1.00 1.00 C ATOM 1228 CG GLU A 80 -19.039 5.709 -18.811 1.00 1.00 C ATOM 1229 CD GLU A 80 -18.050 5.401 -19.903 1.00 1.00 C ATOM 1230 OE1 GLU A 80 -17.561 4.255 -19.978 1.00 1.00 O ATOM 1231 OE2 GLU A 80 -17.770 6.286 -20.724 1.00 1.00 O ATOM 0 H GLU A 80 -21.419 3.706 -17.047 1.00 1.00 H new ATOM 0 HA GLU A 80 -21.416 6.550 -17.774 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -20.406 4.187 -19.398 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -20.739 5.762 -20.091 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -19.046 6.782 -18.617 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -18.727 5.220 -17.888 1.00 1.00 H new ATOM 1433 N LEU A 93 -16.423 8.309 -14.356 1.00 1.00 N ATOM 1434 CA LEU A 93 -17.188 7.122 -14.114 1.00 1.00 C ATOM 1435 C LEU A 93 -17.912 7.323 -12.791 1.00 1.00 C ATOM 1436 O LEU A 93 -17.546 8.225 -12.023 1.00 1.00 O ATOM 1437 CB LEU A 93 -16.233 5.932 -14.012 1.00 1.00 C ATOM 1438 CG LEU A 93 -15.398 5.628 -15.262 1.00 1.00 C ATOM 1439 CD1 LEU A 93 -14.310 4.636 -14.944 1.00 1.00 C ATOM 1440 CD2 LEU A 93 -16.268 5.101 -16.373 1.00 1.00 C ATOM 0 HA LEU A 93 -17.901 6.931 -14.916 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -15.552 6.109 -13.179 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -16.816 5.045 -13.764 1.00 1.00 H new ATOM 0 HG LEU A 93 -14.939 6.559 -15.594 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -13.728 4.433 -15.843 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -13.657 5.047 -14.174 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -14.757 3.709 -14.584 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -15.653 4.893 -17.249 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -16.758 4.184 -16.047 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -17.023 5.845 -16.628 1.00 1.00 H new ATOM 1452 N ASN A 94 -18.944 6.551 -12.525 1.00 1.00 N ATOM 1453 CA ASN A 94 -19.618 6.674 -11.248 1.00 1.00 C ATOM 1454 C ASN A 94 -18.974 5.750 -10.255 1.00 1.00 C ATOM 1455 O ASN A 94 -18.596 4.639 -10.601 1.00 1.00 O ATOM 1456 CB ASN A 94 -21.128 6.401 -11.351 1.00 1.00 C ATOM 1457 CG ASN A 94 -21.913 7.588 -11.872 1.00 1.00 C ATOM 1458 OD1 ASN A 94 -22.287 8.473 -11.106 1.00 1.00 O ATOM 1459 ND2 ASN A 94 -22.185 7.614 -13.165 1.00 1.00 N ATOM 0 H ASN A 94 -19.328 5.848 -13.157 1.00 1.00 H new ATOM 0 HA ASN A 94 -19.515 7.705 -10.911 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -21.293 5.547 -12.008 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -21.509 6.124 -10.368 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -22.722 8.387 -13.558 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -21.858 6.861 -13.770 1.00 1.00 H new ATOM 1466 N THR A 95 -18.825 6.220 -9.051 1.00 1.00 N ATOM 1467 CA THR A 95 -18.219 5.491 -7.973 1.00 1.00 C ATOM 1468 C THR A 95 -19.221 5.311 -6.866 1.00 1.00 C ATOM 1469 O THR A 95 -20.309 5.926 -6.905 1.00 1.00 O ATOM 1470 CB THR A 95 -17.090 6.324 -7.416 1.00 1.00 C ATOM 1471 OG1 THR A 95 -17.425 7.718 -7.565 1.00 1.00 O ATOM 1472 CG2 THR A 95 -15.795 6.024 -8.094 1.00 1.00 C ATOM 0 H THR A 95 -19.133 7.155 -8.782 1.00 1.00 H new ATOM 0 HA THR A 95 -17.869 4.525 -8.337 1.00 1.00 H new ATOM 0 HB THR A 95 -16.962 6.080 -6.361 1.00 1.00 H new ATOM 0 HG1 THR A 95 -16.604 8.242 -7.673 1.00 1.00 H new ATOM 0 HG21 THR A 95 -15.008 6.644 -7.665 1.00 1.00 H new ATOM 0 HG22 THR A 95 -15.546 4.972 -7.954 1.00 1.00 H new ATOM 0 HG23 THR A 95 -15.884 6.237 -9.159 1.00 1.00 H new ATOM 1480 N LEU A 96 -18.884 4.504 -5.863 1.00 1.00 N ATOM 1481 CA LEU A 96 -19.776 4.355 -4.738 1.00 1.00 C ATOM 1482 C LEU A 96 -19.741 5.621 -3.926 1.00 1.00 C ATOM 1483 O LEU A 96 -20.714 5.976 -3.269 1.00 1.00 O ATOM 1484 CB LEU A 96 -19.511 3.071 -3.881 1.00 1.00 C ATOM 1485 CG LEU A 96 -18.325 3.052 -2.882 1.00 1.00 C ATOM 1486 CD1 LEU A 96 -18.663 3.760 -1.568 1.00 1.00 C ATOM 1487 CD2 LEU A 96 -17.921 1.621 -2.596 1.00 1.00 C ATOM 0 H LEU A 96 -18.022 3.961 -5.813 1.00 1.00 H new ATOM 0 HA LEU A 96 -20.785 4.199 -5.121 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -20.419 2.863 -3.315 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -19.369 2.240 -4.572 1.00 1.00 H new ATOM 0 HG LEU A 96 -17.499 3.592 -3.345 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -17.802 3.720 -0.901 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -18.918 4.800 -1.770 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -19.511 3.264 -1.095 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -17.087 1.612 -1.894 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -18.765 1.084 -2.164 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -17.619 1.136 -3.524 1.00 1.00 H new ATOM 1499 N GLN A 97 -18.598 6.329 -3.994 1.00 1.00 N ATOM 1500 CA GLN A 97 -18.453 7.600 -3.295 1.00 1.00 C ATOM 1501 C GLN A 97 -19.409 8.661 -3.810 1.00 1.00 C ATOM 1502 O GLN A 97 -19.747 9.569 -3.083 1.00 1.00 O ATOM 1503 CB GLN A 97 -17.036 8.111 -3.345 1.00 1.00 C ATOM 1504 CG GLN A 97 -16.554 8.554 -4.694 1.00 1.00 C ATOM 1505 CD GLN A 97 -15.074 8.608 -4.714 1.00 1.00 C ATOM 1506 OE1 GLN A 97 -14.451 9.670 -4.567 1.00 1.00 O ATOM 1507 NE2 GLN A 97 -14.502 7.469 -4.848 1.00 1.00 N ATOM 0 H GLN A 97 -17.775 6.039 -4.522 1.00 1.00 H new ATOM 0 HA GLN A 97 -18.711 7.397 -2.255 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -16.946 8.949 -2.654 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -16.373 7.326 -2.982 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -16.911 7.866 -5.460 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -16.965 9.535 -4.931 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -15.065 6.626 -4.966 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -13.484 7.405 -4.837 1.00 1.00 H new ATOM 1516 N HIS A 98 -19.836 8.542 -5.063 1.00 1.00 N ATOM 1517 CA HIS A 98 -20.726 9.545 -5.641 1.00 1.00 C ATOM 1518 C HIS A 98 -22.049 9.543 -4.895 1.00 1.00 C ATOM 1519 O HIS A 98 -22.552 10.589 -4.509 1.00 1.00 O ATOM 1520 CB HIS A 98 -20.941 9.307 -7.155 1.00 1.00 C ATOM 1521 CG HIS A 98 -21.740 10.392 -7.856 1.00 1.00 C ATOM 1522 ND1 HIS A 98 -22.438 10.183 -9.025 1.00 1.00 N ATOM 1523 CD2 HIS A 98 -21.939 11.694 -7.540 1.00 1.00 C ATOM 1524 CE1 HIS A 98 -23.026 11.295 -9.389 1.00 1.00 C ATOM 1525 NE2 HIS A 98 -22.741 12.229 -8.511 1.00 1.00 N ATOM 0 H HIS A 98 -19.586 7.776 -5.689 1.00 1.00 H new ATOM 0 HA HIS A 98 -20.260 10.525 -5.535 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -19.968 9.221 -7.638 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -21.450 8.353 -7.291 1.00 1.00 H new ATOM 0 HD1 HIS A 98 -22.489 9.298 -9.530 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -21.539 12.213 -6.682 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -23.643 11.423 -10.266 1.00 1.00 H new ATOM 1534 N TYR A 99 -22.579 8.363 -4.659 1.00 1.00 N ATOM 1535 CA TYR A 99 -23.832 8.237 -3.937 1.00 1.00 C ATOM 1536 C TYR A 99 -23.596 8.039 -2.448 1.00 1.00 C ATOM 1537 O TYR A 99 -24.547 8.000 -1.663 1.00 1.00 O ATOM 1538 CB TYR A 99 -24.669 7.101 -4.529 1.00 1.00 C ATOM 1539 CG TYR A 99 -25.163 7.400 -5.936 1.00 1.00 C ATOM 1540 CD1 TYR A 99 -24.364 7.170 -7.054 1.00 1.00 C ATOM 1541 CD2 TYR A 99 -26.422 7.940 -6.138 1.00 1.00 C ATOM 1542 CE1 TYR A 99 -24.817 7.471 -8.326 1.00 1.00 C ATOM 1543 CE2 TYR A 99 -26.880 8.238 -7.403 1.00 1.00 C ATOM 1544 CZ TYR A 99 -26.075 8.003 -8.492 1.00 1.00 C ATOM 1545 OH TYR A 99 -26.533 8.315 -9.753 1.00 1.00 O ATOM 0 H TYR A 99 -22.166 7.478 -4.954 1.00 1.00 H new ATOM 0 HA TYR A 99 -24.390 9.167 -4.049 1.00 1.00 H new ATOM 0 HB2 TYR A 99 -24.074 6.188 -4.545 1.00 1.00 H new ATOM 0 HB3 TYR A 99 -25.525 6.912 -3.881 1.00 1.00 H new ATOM 0 HD1 TYR A 99 -23.377 6.751 -6.926 1.00 1.00 H new ATOM 0 HD2 TYR A 99 -27.058 8.132 -5.286 1.00 1.00 H new ATOM 0 HE1 TYR A 99 -24.187 7.289 -9.184 1.00 1.00 H new ATOM 0 HE2 TYR A 99 -27.867 8.654 -7.538 1.00 1.00 H new ATOM 0 HH TYR A 99 -27.440 8.680 -9.691 1.00 1.00 H new ATOM 1555 N LYS A 100 -22.312 7.937 -2.082 1.00 1.00 N ATOM 1556 CA LYS A 100 -21.846 7.737 -0.714 1.00 1.00 C ATOM 1557 C LYS A 100 -22.643 6.718 0.032 1.00 1.00 C ATOM 1558 O LYS A 100 -23.375 7.028 0.982 1.00 1.00 O ATOM 1559 CB LYS A 100 -21.659 9.030 0.075 1.00 1.00 C ATOM 1560 CG LYS A 100 -20.233 9.559 0.027 1.00 1.00 C ATOM 1561 CD LYS A 100 -19.257 8.517 0.567 1.00 1.00 C ATOM 1562 CE LYS A 100 -17.907 9.121 0.915 1.00 1.00 C ATOM 1563 NZ LYS A 100 -16.976 9.133 -0.240 1.00 1.00 N ATOM 0 H LYS A 100 -21.548 7.994 -2.756 1.00 1.00 H new ATOM 0 HA LYS A 100 -20.844 7.323 -0.822 1.00 1.00 H new ATOM 0 HB2 LYS A 100 -22.335 9.789 -0.318 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -21.942 8.859 1.114 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -19.969 9.816 -0.999 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -20.159 10.474 0.614 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -19.683 8.048 1.454 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -19.121 7.730 -0.175 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -18.050 10.141 1.273 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -17.459 8.556 1.733 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -16.044 9.475 0.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -16.882 8.170 -0.620 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -17.348 9.762 -0.979 1.00 1.00 H new ATOM 1577 N VAL A 101 -22.509 5.505 -0.399 1.00 1.00 N ATOM 1578 CA VAL A 101 -23.248 4.434 0.202 1.00 1.00 C ATOM 1579 C VAL A 101 -22.669 4.048 1.577 1.00 1.00 C ATOM 1580 O VAL A 101 -21.461 4.188 1.819 1.00 1.00 O ATOM 1581 CB VAL A 101 -23.380 3.208 -0.742 1.00 1.00 C ATOM 1582 CG1 VAL A 101 -23.618 3.659 -2.170 1.00 1.00 C ATOM 1583 CG2 VAL A 101 -22.187 2.283 -0.663 1.00 1.00 C ATOM 0 H VAL A 101 -21.895 5.228 -1.165 1.00 1.00 H new ATOM 0 HA VAL A 101 -24.260 4.801 0.371 1.00 1.00 H new ATOM 0 HB VAL A 101 -24.244 2.636 -0.403 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -23.708 2.786 -2.817 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -24.537 4.243 -2.219 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -22.780 4.272 -2.502 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -22.332 1.443 -1.343 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -21.286 2.827 -0.945 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -22.082 1.911 0.356 1.00 1.00 H new ATOM 1593 N PRO A 102 -23.531 3.600 2.491 1.00 1.00 N ATOM 1594 CA PRO A 102 -23.139 3.217 3.843 1.00 1.00 C ATOM 1595 C PRO A 102 -22.420 1.882 3.894 1.00 1.00 C ATOM 1596 O PRO A 102 -22.456 1.094 2.925 1.00 1.00 O ATOM 1597 CB PRO A 102 -24.471 3.134 4.580 1.00 1.00 C ATOM 1598 CG PRO A 102 -25.425 2.714 3.536 1.00 1.00 C ATOM 1599 CD PRO A 102 -24.975 3.411 2.281 1.00 1.00 C ATOM 0 HA PRO A 102 -22.433 3.926 4.276 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -24.431 2.415 5.398 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -24.749 4.095 5.013 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -25.417 1.631 3.409 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -26.444 2.997 3.799 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -25.176 2.810 1.394 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -25.489 4.363 2.144 1.00 1.00 H new ATOM 1607 N ASP A 103 -21.763 1.630 5.007 1.00 1.00 N ATOM 1608 CA ASP A 103 -21.054 0.385 5.211 1.00 1.00 C ATOM 1609 C ASP A 103 -22.055 -0.733 5.244 1.00 1.00 C ATOM 1610 O ASP A 103 -22.923 -0.761 6.118 1.00 1.00 O ATOM 1611 CB ASP A 103 -20.281 0.396 6.547 1.00 1.00 C ATOM 1612 CG ASP A 103 -19.172 1.424 6.624 1.00 1.00 C ATOM 1613 OD1 ASP A 103 -19.463 2.604 6.939 1.00 1.00 O ATOM 1614 OD2 ASP A 103 -17.995 1.078 6.379 1.00 1.00 O ATOM 0 H ASP A 103 -21.706 2.279 5.792 1.00 1.00 H new ATOM 0 HA ASP A 103 -20.340 0.252 4.398 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -20.986 0.579 7.358 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -19.854 -0.593 6.713 1.00 1.00 H new ATOM 1619 N GLY A 104 -21.976 -1.630 4.302 1.00 1.00 N ATOM 1620 CA GLY A 104 -22.882 -2.746 4.316 1.00 1.00 C ATOM 1621 C GLY A 104 -24.068 -2.522 3.424 1.00 1.00 C ATOM 1622 O GLY A 104 -25.135 -3.103 3.639 1.00 1.00 O ATOM 0 H GLY A 104 -21.310 -1.614 3.530 1.00 1.00 H new ATOM 0 HA2 GLY A 104 -22.354 -3.645 3.997 1.00 1.00 H new ATOM 0 HA3 GLY A 104 -23.224 -2.922 5.336 1.00 1.00 H new ATOM 1626 N ALA A 105 -23.901 -1.678 2.425 1.00 1.00 N ATOM 1627 CA ALA A 105 -24.952 -1.440 1.461 1.00 1.00 C ATOM 1628 C ALA A 105 -25.120 -2.669 0.566 1.00 1.00 C ATOM 1629 O ALA A 105 -24.249 -3.550 0.522 1.00 1.00 O ATOM 1630 CB ALA A 105 -24.687 -0.185 0.649 1.00 1.00 C ATOM 0 H ALA A 105 -23.046 -1.146 2.261 1.00 1.00 H new ATOM 0 HA ALA A 105 -25.887 -1.273 1.996 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -25.496 -0.036 -0.066 1.00 1.00 H new ATOM 0 HB2 ALA A 105 -24.630 0.675 1.316 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -23.744 -0.291 0.112 1.00 1.00 H new ATOM 1636 N THR A 106 -26.200 -2.745 -0.125 1.00 1.00 N ATOM 1637 CA THR A 106 -26.492 -3.925 -0.891 1.00 1.00 C ATOM 1638 C THR A 106 -26.460 -3.620 -2.378 1.00 1.00 C ATOM 1639 O THR A 106 -27.047 -2.648 -2.833 1.00 1.00 O ATOM 1640 CB THR A 106 -27.871 -4.508 -0.492 1.00 1.00 C ATOM 1641 OG1 THR A 106 -27.886 -4.743 0.924 1.00 1.00 O ATOM 1642 CG2 THR A 106 -28.151 -5.821 -1.218 1.00 1.00 C ATOM 0 H THR A 106 -26.904 -2.009 -0.183 1.00 1.00 H new ATOM 0 HA THR A 106 -25.725 -4.669 -0.674 1.00 1.00 H new ATOM 0 HB THR A 106 -28.642 -3.790 -0.773 1.00 1.00 H new ATOM 0 HG1 THR A 106 -28.756 -5.111 1.185 1.00 1.00 H new ATOM 0 HG21 THR A 106 -29.126 -6.203 -0.916 1.00 1.00 H new ATOM 0 HG22 THR A 106 -28.146 -5.650 -2.294 1.00 1.00 H new ATOM 0 HG23 THR A 106 -27.381 -6.549 -0.963 1.00 1.00 H new ATOM 1650 N VAL A 107 -25.760 -4.421 -3.130 1.00 1.00 N ATOM 1651 CA VAL A 107 -25.731 -4.232 -4.550 1.00 1.00 C ATOM 1652 C VAL A 107 -26.447 -5.364 -5.210 1.00 1.00 C ATOM 1653 O VAL A 107 -26.298 -6.517 -4.812 1.00 1.00 O ATOM 1654 CB VAL A 107 -24.296 -4.102 -5.146 1.00 1.00 C ATOM 1655 CG1 VAL A 107 -23.565 -2.933 -4.540 1.00 1.00 C ATOM 1656 CG2 VAL A 107 -23.476 -5.377 -4.994 1.00 1.00 C ATOM 0 H VAL A 107 -25.206 -5.205 -2.786 1.00 1.00 H new ATOM 0 HA VAL A 107 -26.227 -3.281 -4.747 1.00 1.00 H new ATOM 0 HB VAL A 107 -24.421 -3.928 -6.215 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -22.567 -2.864 -4.972 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -24.114 -2.014 -4.746 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -23.485 -3.073 -3.462 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -22.487 -5.227 -5.427 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -23.376 -5.621 -3.936 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -23.978 -6.196 -5.510 1.00 1.00 H new ATOM 1666 N ALA A 108 -27.256 -5.050 -6.151 1.00 1.00 N ATOM 1667 CA ALA A 108 -27.949 -6.057 -6.886 1.00 1.00 C ATOM 1668 C ALA A 108 -27.795 -5.789 -8.330 1.00 1.00 C ATOM 1669 O ALA A 108 -28.033 -4.706 -8.780 1.00 1.00 O ATOM 1670 CB ALA A 108 -29.398 -6.109 -6.525 1.00 1.00 C ATOM 0 H ALA A 108 -27.461 -4.093 -6.438 1.00 1.00 H new ATOM 0 HA ALA A 108 -27.518 -7.026 -6.635 1.00 1.00 H new ATOM 0 HB1 ALA A 108 -29.890 -6.889 -7.107 1.00 1.00 H new ATOM 0 HB2 ALA A 108 -29.501 -6.330 -5.462 1.00 1.00 H new ATOM 0 HB3 ALA A 108 -29.862 -5.147 -6.742 1.00 1.00 H new ATOM 1676 N LEU A 109 -27.429 -6.757 -9.053 1.00 1.00 N ATOM 1677 CA LEU A 109 -27.169 -6.551 -10.451 1.00 1.00 C ATOM 1678 C LEU A 109 -28.162 -7.271 -11.297 1.00 1.00 C ATOM 1679 O LEU A 109 -28.647 -8.354 -10.922 1.00 1.00 O ATOM 1680 CB LEU A 109 -25.704 -6.877 -10.839 1.00 1.00 C ATOM 1681 CG LEU A 109 -25.146 -8.254 -10.445 1.00 1.00 C ATOM 1682 CD1 LEU A 109 -25.464 -9.299 -11.508 1.00 1.00 C ATOM 1683 CD2 LEU A 109 -23.642 -8.166 -10.222 1.00 1.00 C ATOM 0 H LEU A 109 -27.295 -7.713 -8.722 1.00 1.00 H new ATOM 0 HA LEU A 109 -27.293 -5.486 -10.648 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -25.614 -6.777 -11.921 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -25.063 -6.116 -10.394 1.00 1.00 H new ATOM 0 HG LEU A 109 -25.625 -8.563 -9.516 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -25.058 -10.263 -11.203 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -26.545 -9.381 -11.625 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -25.018 -9.001 -12.457 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -23.257 -9.147 -9.943 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -23.157 -7.833 -11.140 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -23.434 -7.454 -9.423 1.00 1.00 H new ATOM 1695 N VAL A 110 -28.500 -6.665 -12.398 1.00 1.00 N ATOM 1696 CA VAL A 110 -29.432 -7.209 -13.326 1.00 1.00 C ATOM 1697 C VAL A 110 -28.865 -7.080 -14.741 1.00 1.00 C ATOM 1698 O VAL A 110 -28.360 -6.012 -15.128 1.00 1.00 O ATOM 1699 CB VAL A 110 -30.826 -6.505 -13.222 1.00 1.00 C ATOM 1700 CG1 VAL A 110 -31.511 -6.891 -11.958 1.00 1.00 C ATOM 1701 CG2 VAL A 110 -30.694 -5.010 -13.255 1.00 1.00 C ATOM 0 H VAL A 110 -28.123 -5.759 -12.676 1.00 1.00 H new ATOM 0 HA VAL A 110 -29.587 -8.262 -13.089 1.00 1.00 H new ATOM 0 HB VAL A 110 -31.412 -6.829 -14.082 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -32.479 -6.393 -11.902 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -31.657 -7.971 -11.939 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -30.899 -6.592 -11.107 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -31.682 -4.556 -13.181 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -30.079 -4.680 -12.417 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -30.225 -4.707 -14.191 1.00 1.00 H new ATOM 1711 N PRO A 111 -28.884 -8.168 -15.513 1.00 1.00 N ATOM 1712 CA PRO A 111 -28.378 -8.169 -16.877 1.00 1.00 C ATOM 1713 C PRO A 111 -29.285 -7.369 -17.811 1.00 1.00 C ATOM 1714 O PRO A 111 -30.172 -7.934 -18.477 1.00 1.00 O ATOM 1715 CB PRO A 111 -28.364 -9.651 -17.259 1.00 1.00 C ATOM 1716 CG PRO A 111 -29.391 -10.274 -16.386 1.00 1.00 C ATOM 1717 CD PRO A 111 -29.389 -9.488 -15.110 1.00 1.00 C ATOM 0 HA PRO A 111 -27.397 -7.702 -16.958 1.00 1.00 H new ATOM 0 HB2 PRO A 111 -28.603 -9.791 -18.313 1.00 1.00 H new ATOM 0 HB3 PRO A 111 -27.382 -10.094 -17.093 1.00 1.00 H new ATOM 0 HG2 PRO A 111 -30.373 -10.246 -16.859 1.00 1.00 H new ATOM 0 HG3 PRO A 111 -29.158 -11.322 -16.198 1.00 1.00 H new ATOM 0 HD2 PRO A 111 -30.388 -9.420 -14.680 1.00 1.00 H new ATOM 0 HD3 PRO A 111 -28.749 -9.949 -14.357 1.00 1.00 H new ATOM 1725 N CYS A 112 -29.062 -6.053 -17.827 1.00 1.00 N ATOM 1726 CA CYS A 112 -29.776 -5.090 -18.633 1.00 1.00 C ATOM 1727 C CYS A 112 -31.268 -5.197 -18.466 1.00 1.00 C ATOM 1728 O CYS A 112 -31.973 -5.753 -19.313 1.00 1.00 O ATOM 1729 CB CYS A 112 -29.330 -5.069 -20.103 1.00 1.00 C ATOM 1730 SG CYS A 112 -29.158 -6.676 -20.920 1.00 1.00 S ATOM 0 H CYS A 112 -28.343 -5.621 -17.247 1.00 1.00 H new ATOM 0 HA CYS A 112 -29.497 -4.111 -18.244 1.00 1.00 H new ATOM 0 HB2 CYS A 112 -30.047 -4.474 -20.668 1.00 1.00 H new ATOM 0 HB3 CYS A 112 -28.372 -4.553 -20.161 1.00 1.00 H new ATOM 0 HG CYS A 112 -29.654 -7.605 -20.158 1.00 1.00 H new