USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 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= 1.03 K(o=1,f=-0.48) USER MOD Set 1.2: A 98 HIS : no HD1:sc= 0 X(o=1,f=1) USER MOD Set 2.1: A 36 THR OG1 : rot 160:sc=-0.00673 USER MOD Set 2.2: A 38 SER OG : rot 180:sc= 0.101 USER MOD Set 2.3: A 39 GLN : amide:sc= 0.309 X(o=0.4,f=0.31) 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= -1.93 K(o=-1.9,f=-1.2) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.0298 USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= -0.0386 (180deg=-0.0466) USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0933) USER MOD Single : A 44 MET CE :methyl -148:sc= -3.3 (180deg=-4.15!) USER MOD Single : A 47 GLN : amide:sc= -2.01 K(o=-2,f=-5.6!) USER MOD Single : A 69 SER OG : rot 57:sc= 1.73 USER MOD Single : A 74 HIS : no HE2:sc= 0.927 K(o=0.93,f=-4.7!) USER MOD Single : A 78 SER OG : rot 9:sc= 1.07 USER MOD Single : A 95 THR OG1 : rot -136:sc= -2.55! USER MOD Single : A 97 GLN : amide:sc= -2.83! K(o=-2.8!,f=-1.4) USER MOD Single : A 99 TYR OH : rot -160:sc= -0.256 USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0771) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 34:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 87 N TYR A 6 -9.265 6.565 0.700 1.00 1.00 N ATOM 88 CA TYR A 6 -10.476 6.044 0.210 1.00 1.00 C ATOM 89 C TYR A 6 -10.894 5.086 1.267 1.00 1.00 C ATOM 90 O TYR A 6 -10.043 4.604 2.017 1.00 1.00 O ATOM 91 CB TYR A 6 -10.287 5.307 -1.124 1.00 1.00 C ATOM 92 CG TYR A 6 -9.430 6.021 -2.167 1.00 1.00 C ATOM 93 CD1 TYR A 6 -9.688 7.329 -2.565 1.00 1.00 C ATOM 94 CD2 TYR A 6 -8.370 5.367 -2.753 1.00 1.00 C ATOM 95 CE1 TYR A 6 -8.901 7.950 -3.519 1.00 1.00 C ATOM 96 CE2 TYR A 6 -7.583 5.971 -3.705 1.00 1.00 C ATOM 97 CZ TYR A 6 -7.850 7.261 -4.087 1.00 1.00 C ATOM 98 OH TYR A 6 -7.064 7.861 -5.045 1.00 1.00 O ATOM 0 HA TYR A 6 -11.207 6.828 0.012 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -9.840 4.334 -0.919 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -11.270 5.121 -1.556 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -10.514 7.867 -2.123 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -8.151 4.352 -2.457 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -9.108 8.967 -3.817 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -6.759 5.433 -4.150 1.00 1.00 H new ATOM 0 HH TYR A 6 -6.369 7.235 -5.337 1.00 1.00 H new ATOM 108 N ARG A 7 -12.124 4.797 1.360 1.00 1.00 N ATOM 109 CA ARG A 7 -12.582 3.985 2.472 1.00 1.00 C ATOM 110 C ARG A 7 -12.974 2.596 2.042 1.00 1.00 C ATOM 111 O ARG A 7 -13.921 2.427 1.295 1.00 1.00 O ATOM 112 CB ARG A 7 -13.728 4.668 3.240 1.00 1.00 C ATOM 113 CG ARG A 7 -13.372 6.046 3.791 1.00 1.00 C ATOM 114 CD ARG A 7 -12.206 5.976 4.773 1.00 1.00 C ATOM 115 NE ARG A 7 -11.763 7.305 5.193 1.00 1.00 N ATOM 116 CZ ARG A 7 -10.558 7.588 5.705 1.00 1.00 C ATOM 117 NH1 ARG A 7 -9.660 6.620 5.885 1.00 1.00 N ATOM 118 NH2 ARG A 7 -10.255 8.837 6.043 1.00 1.00 N ATOM 0 H ARG A 7 -12.847 5.092 0.704 1.00 1.00 H new ATOM 0 HA ARG A 7 -11.735 3.886 3.151 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -14.589 4.764 2.578 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -14.032 4.025 4.066 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -13.115 6.712 2.967 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -14.242 6.475 4.288 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -12.504 5.400 5.649 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -11.374 5.446 4.310 1.00 1.00 H new ATOM 0 HE ARG A 7 -12.423 8.076 5.088 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -9.889 5.659 5.633 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -8.744 6.840 6.275 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -10.940 9.581 5.913 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -9.337 9.051 6.433 1.00 1.00 H new ATOM 132 N PRO A 8 -12.200 1.583 2.455 1.00 1.00 N ATOM 133 CA PRO A 8 -12.558 0.190 2.224 1.00 1.00 C ATOM 134 C PRO A 8 -13.876 -0.121 2.923 1.00 1.00 C ATOM 135 O PRO A 8 -13.954 -0.183 4.164 1.00 1.00 O ATOM 136 CB PRO A 8 -11.402 -0.604 2.857 1.00 1.00 C ATOM 137 CG PRO A 8 -10.283 0.377 3.000 1.00 1.00 C ATOM 138 CD PRO A 8 -10.912 1.727 3.148 1.00 1.00 C ATOM 0 HA PRO A 8 -12.693 -0.052 1.170 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -11.691 -1.016 3.824 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -11.110 -1.444 2.227 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -9.668 0.139 3.868 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -9.629 0.348 2.129 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -11.048 1.994 4.196 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -10.299 2.507 2.697 1.00 1.00 H new ATOM 146 N LEU A 9 -14.888 -0.310 2.144 1.00 1.00 N ATOM 147 CA LEU A 9 -16.215 -0.503 2.647 1.00 1.00 C ATOM 148 C LEU A 9 -16.675 -1.905 2.361 1.00 1.00 C ATOM 149 O LEU A 9 -16.182 -2.543 1.435 1.00 1.00 O ATOM 150 CB LEU A 9 -17.175 0.479 1.985 1.00 1.00 C ATOM 151 CG LEU A 9 -18.569 0.536 2.593 1.00 1.00 C ATOM 152 CD1 LEU A 9 -18.661 1.615 3.645 1.00 1.00 C ATOM 153 CD2 LEU A 9 -19.611 0.707 1.533 1.00 1.00 C ATOM 0 H LEU A 9 -14.820 -0.336 1.127 1.00 1.00 H new ATOM 0 HA LEU A 9 -16.205 -0.333 3.724 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -16.736 1.476 2.029 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -17.267 0.217 0.931 1.00 1.00 H new ATOM 0 HG LEU A 9 -18.760 -0.416 3.088 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -19.668 1.632 4.062 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -17.943 1.411 4.439 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -18.438 2.582 3.195 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -20.597 0.745 1.995 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -19.429 1.635 0.990 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -19.567 -0.133 0.840 1.00 1.00 H new ATOM 165 N THR A 10 -17.605 -2.374 3.140 1.00 1.00 N ATOM 166 CA THR A 10 -18.157 -3.672 2.957 1.00 1.00 C ATOM 167 C THR A 10 -19.441 -3.520 2.157 1.00 1.00 C ATOM 168 O THR A 10 -20.279 -2.674 2.468 1.00 1.00 O ATOM 169 CB THR A 10 -18.421 -4.346 4.317 1.00 1.00 C ATOM 170 OG1 THR A 10 -17.190 -4.340 5.067 1.00 1.00 O ATOM 171 CG2 THR A 10 -18.879 -5.791 4.132 1.00 1.00 C ATOM 0 H THR A 10 -18.001 -1.857 3.925 1.00 1.00 H new ATOM 0 HA THR A 10 -17.459 -4.312 2.417 1.00 1.00 H new ATOM 0 HB THR A 10 -19.206 -3.800 4.840 1.00 1.00 H new ATOM 0 HG1 THR A 10 -17.336 -4.764 5.939 1.00 1.00 H new ATOM 0 HG21 THR A 10 -19.058 -6.244 5.107 1.00 1.00 H new ATOM 0 HG22 THR A 10 -19.800 -5.809 3.549 1.00 1.00 H new ATOM 0 HG23 THR A 10 -18.106 -6.353 3.608 1.00 1.00 H new ATOM 179 N LEU A 11 -19.552 -4.268 1.114 1.00 1.00 N ATOM 180 CA LEU A 11 -20.649 -4.193 0.222 1.00 1.00 C ATOM 181 C LEU A 11 -21.240 -5.602 0.048 1.00 1.00 C ATOM 182 O LEU A 11 -20.505 -6.589 0.039 1.00 1.00 O ATOM 183 CB LEU A 11 -20.139 -3.626 -1.099 1.00 1.00 C ATOM 184 CG LEU A 11 -21.176 -3.239 -2.120 1.00 1.00 C ATOM 185 CD1 LEU A 11 -22.059 -2.157 -1.539 1.00 1.00 C ATOM 186 CD2 LEU A 11 -20.493 -2.741 -3.382 1.00 1.00 C ATOM 0 H LEU A 11 -18.859 -4.969 0.853 1.00 1.00 H new ATOM 0 HA LEU A 11 -21.437 -3.543 0.602 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -19.534 -2.746 -0.880 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -19.476 -4.364 -1.551 1.00 1.00 H new ATOM 0 HG LEU A 11 -21.787 -4.105 -2.375 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -22.813 -1.870 -2.272 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -22.550 -2.531 -0.641 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -21.451 -1.289 -1.285 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -21.247 -2.462 -4.118 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -19.879 -1.872 -3.145 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -19.862 -3.531 -3.790 1.00 1.00 H new ATOM 198 N ASN A 12 -22.531 -5.702 -0.077 1.00 1.00 N ATOM 199 CA ASN A 12 -23.183 -6.979 -0.172 1.00 1.00 C ATOM 200 C ASN A 12 -23.465 -7.339 -1.621 1.00 1.00 C ATOM 201 O ASN A 12 -24.275 -6.677 -2.290 1.00 1.00 O ATOM 202 CB ASN A 12 -24.478 -6.957 0.627 1.00 1.00 C ATOM 203 CG ASN A 12 -25.207 -8.268 0.601 1.00 1.00 C ATOM 204 OD1 ASN A 12 -24.986 -9.121 1.430 1.00 1.00 O ATOM 205 ND2 ASN A 12 -26.080 -8.438 -0.357 1.00 1.00 N ATOM 0 H ASN A 12 -23.163 -4.902 -0.116 1.00 1.00 H new ATOM 0 HA ASN A 12 -22.519 -7.738 0.241 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -24.256 -6.692 1.661 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -25.129 -6.178 0.231 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -26.601 -9.312 -0.423 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -26.240 -7.696 -1.039 1.00 1.00 H new ATOM 212 N ALA A 13 -22.798 -8.372 -2.096 1.00 1.00 N ATOM 213 CA ALA A 13 -22.956 -8.858 -3.456 1.00 1.00 C ATOM 214 C ALA A 13 -24.246 -9.630 -3.586 1.00 1.00 C ATOM 215 O ALA A 13 -24.422 -10.682 -2.937 1.00 1.00 O ATOM 216 CB ALA A 13 -21.789 -9.756 -3.847 1.00 1.00 C ATOM 0 H ALA A 13 -22.124 -8.904 -1.545 1.00 1.00 H new ATOM 0 HA ALA A 13 -22.978 -7.996 -4.123 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -21.928 -10.109 -4.869 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -20.858 -9.193 -3.781 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -21.745 -10.610 -3.171 1.00 1.00 H new ATOM 222 N LEU A 14 -25.145 -9.130 -4.387 1.00 1.00 N ATOM 223 CA LEU A 14 -26.409 -9.758 -4.573 1.00 1.00 C ATOM 224 C LEU A 14 -26.889 -9.509 -6.008 1.00 1.00 C ATOM 225 O LEU A 14 -26.465 -8.549 -6.646 1.00 1.00 O ATOM 226 CB LEU A 14 -27.390 -9.186 -3.550 1.00 1.00 C ATOM 227 CG LEU A 14 -28.734 -9.872 -3.423 1.00 1.00 C ATOM 228 CD1 LEU A 14 -28.537 -11.328 -3.020 1.00 1.00 C ATOM 229 CD2 LEU A 14 -29.577 -9.139 -2.393 1.00 1.00 C ATOM 0 H LEU A 14 -25.015 -8.274 -4.927 1.00 1.00 H new ATOM 0 HA LEU A 14 -26.335 -10.835 -4.423 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -26.908 -9.204 -2.573 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -27.567 -8.140 -3.799 1.00 1.00 H new ATOM 0 HG LEU A 14 -29.250 -9.849 -4.383 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -29.508 -11.815 -2.930 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -27.943 -11.838 -3.778 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -28.019 -11.373 -2.062 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -30.545 -9.630 -2.299 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -29.068 -9.153 -1.429 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -29.723 -8.107 -2.711 1.00 1.00 H new ATOM 241 N LEU A 15 -27.725 -10.375 -6.525 1.00 1.00 N ATOM 242 CA LEU A 15 -28.240 -10.193 -7.862 1.00 1.00 C ATOM 243 C LEU A 15 -29.759 -10.195 -7.858 1.00 1.00 C ATOM 244 O LEU A 15 -30.382 -10.911 -7.074 1.00 1.00 O ATOM 245 CB LEU A 15 -27.648 -11.228 -8.858 1.00 1.00 C ATOM 246 CG LEU A 15 -28.381 -12.562 -9.023 1.00 1.00 C ATOM 247 CD1 LEU A 15 -27.770 -13.359 -10.160 1.00 1.00 C ATOM 248 CD2 LEU A 15 -28.324 -13.369 -7.747 1.00 1.00 C ATOM 0 H LEU A 15 -28.063 -11.209 -6.045 1.00 1.00 H new ATOM 0 HA LEU A 15 -27.916 -9.214 -8.216 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -27.590 -10.754 -9.838 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -26.626 -11.444 -8.548 1.00 1.00 H new ATOM 0 HG LEU A 15 -29.425 -12.348 -9.253 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -28.300 -14.305 -10.267 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -27.851 -12.791 -11.087 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -26.720 -13.554 -9.944 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -28.852 -14.312 -7.889 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -27.284 -13.570 -7.490 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -28.795 -12.808 -6.940 1.00 1.00 H new ATOM 260 N ALA A 16 -30.348 -9.383 -8.695 1.00 1.00 N ATOM 261 CA ALA A 16 -31.793 -9.303 -8.789 1.00 1.00 C ATOM 262 C ALA A 16 -32.261 -9.749 -10.172 1.00 1.00 C ATOM 263 O ALA A 16 -33.250 -9.256 -10.699 1.00 1.00 O ATOM 264 CB ALA A 16 -32.266 -7.895 -8.476 1.00 1.00 C ATOM 0 H ALA A 16 -29.849 -8.759 -9.330 1.00 1.00 H new ATOM 0 HA ALA A 16 -32.232 -9.976 -8.052 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -33.353 -7.851 -8.551 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -31.961 -7.625 -7.465 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -31.825 -7.196 -9.187 1.00 1.00 H new ATOM 270 N VAL A 17 -31.537 -10.699 -10.739 1.00 1.00 N ATOM 271 CA VAL A 17 -31.798 -11.219 -12.027 1.00 1.00 C ATOM 272 C VAL A 17 -33.157 -11.955 -12.088 1.00 1.00 C ATOM 273 O VAL A 17 -33.947 -11.729 -13.000 1.00 1.00 O ATOM 274 CB VAL A 17 -30.641 -12.154 -12.419 1.00 1.00 C ATOM 275 CG1 VAL A 17 -30.975 -12.932 -13.620 1.00 1.00 C ATOM 276 CG2 VAL A 17 -29.373 -11.353 -12.646 1.00 1.00 C ATOM 0 H VAL A 17 -30.732 -11.128 -10.284 1.00 1.00 H new ATOM 0 HA VAL A 17 -31.865 -10.395 -12.737 1.00 1.00 H new ATOM 0 HB VAL A 17 -30.476 -12.852 -11.599 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -30.140 -13.584 -13.875 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -31.862 -13.536 -13.427 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -31.172 -12.253 -14.450 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -28.562 -12.026 -12.923 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -29.536 -10.633 -13.448 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -29.108 -10.823 -11.731 1.00 1.00 H new ATOM 286 N GLY A 18 -33.428 -12.801 -11.110 1.00 1.00 N ATOM 287 CA GLY A 18 -34.681 -13.531 -11.130 1.00 1.00 C ATOM 288 C GLY A 18 -34.718 -14.709 -10.166 1.00 1.00 C ATOM 289 O GLY A 18 -35.293 -14.595 -9.078 1.00 1.00 O ATOM 0 H GLY A 18 -32.818 -12.995 -10.316 1.00 1.00 H new ATOM 0 HA2 GLY A 18 -35.494 -12.847 -10.886 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -34.864 -13.894 -12.141 1.00 1.00 H new ATOM 293 N PRO A 19 -34.073 -15.858 -10.511 1.00 1.00 N ATOM 294 CA PRO A 19 -34.133 -17.090 -9.688 1.00 1.00 C ATOM 295 C PRO A 19 -33.598 -16.866 -8.279 1.00 1.00 C ATOM 296 O PRO A 19 -34.104 -17.425 -7.309 1.00 1.00 O ATOM 297 CB PRO A 19 -33.233 -18.073 -10.451 1.00 1.00 C ATOM 298 CG PRO A 19 -32.366 -17.209 -11.296 1.00 1.00 C ATOM 299 CD PRO A 19 -33.229 -16.054 -11.701 1.00 1.00 C ATOM 0 HA PRO A 19 -35.156 -17.443 -9.555 1.00 1.00 H new ATOM 0 HB2 PRO A 19 -32.641 -18.681 -9.767 1.00 1.00 H new ATOM 0 HB3 PRO A 19 -33.822 -18.759 -11.059 1.00 1.00 H new ATOM 0 HG2 PRO A 19 -31.490 -16.870 -10.742 1.00 1.00 H new ATOM 0 HG3 PRO A 19 -32.001 -17.752 -12.168 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -32.639 -15.167 -11.931 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -33.822 -16.281 -12.587 1.00 1.00 H new ATOM 307 N GLY A 20 -32.598 -16.029 -8.182 1.00 1.00 N ATOM 308 CA GLY A 20 -32.022 -15.709 -6.920 1.00 1.00 C ATOM 309 C GLY A 20 -32.102 -14.231 -6.651 1.00 1.00 C ATOM 310 O GLY A 20 -31.194 -13.660 -6.058 1.00 1.00 O ATOM 0 H GLY A 20 -32.168 -15.556 -8.977 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -32.540 -16.255 -6.131 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -30.981 -16.030 -6.899 1.00 1.00 H new ATOM 314 N ALA A 21 -33.205 -13.609 -7.078 1.00 1.00 N ATOM 315 CA ALA A 21 -33.392 -12.155 -6.976 1.00 1.00 C ATOM 316 C ALA A 21 -33.547 -11.650 -5.534 1.00 1.00 C ATOM 317 O ALA A 21 -34.645 -11.326 -5.079 1.00 1.00 O ATOM 318 CB ALA A 21 -34.555 -11.692 -7.837 1.00 1.00 C ATOM 0 H ALA A 21 -33.993 -14.097 -7.504 1.00 1.00 H new ATOM 0 HA ALA A 21 -32.471 -11.711 -7.353 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -34.671 -10.612 -7.742 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -34.360 -11.946 -8.879 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -35.470 -12.185 -7.508 1.00 1.00 H new ATOM 324 N GLY A 22 -32.450 -11.622 -4.830 1.00 1.00 N ATOM 325 CA GLY A 22 -32.412 -11.078 -3.501 1.00 1.00 C ATOM 326 C GLY A 22 -32.325 -12.174 -2.502 1.00 1.00 C ATOM 327 O GLY A 22 -32.139 -11.945 -1.309 1.00 1.00 O ATOM 0 H GLY A 22 -31.554 -11.977 -5.163 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -31.555 -10.412 -3.397 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -33.305 -10.480 -3.319 1.00 1.00 H new ATOM 331 N GLU A 23 -32.417 -13.371 -3.011 1.00 1.00 N ATOM 332 CA GLU A 23 -32.438 -14.560 -2.212 1.00 1.00 C ATOM 333 C GLU A 23 -31.267 -15.484 -2.556 1.00 1.00 C ATOM 334 O GLU A 23 -31.267 -16.662 -2.207 1.00 1.00 O ATOM 335 CB GLU A 23 -33.747 -15.285 -2.468 1.00 1.00 C ATOM 336 CG GLU A 23 -33.950 -15.693 -3.922 1.00 1.00 C ATOM 337 CD GLU A 23 -35.171 -16.544 -4.141 1.00 1.00 C ATOM 338 OE1 GLU A 23 -35.203 -17.684 -3.645 1.00 1.00 O ATOM 339 OE2 GLU A 23 -36.111 -16.092 -4.839 1.00 1.00 O ATOM 0 H GLU A 23 -32.481 -13.549 -4.013 1.00 1.00 H new ATOM 0 HA GLU A 23 -32.347 -14.283 -1.162 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -33.787 -16.176 -1.841 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -34.573 -14.643 -2.162 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -34.027 -14.795 -4.536 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -33.070 -16.238 -4.264 1.00 1.00 H new ATOM 346 N ALA A 24 -30.279 -14.951 -3.226 1.00 1.00 N ATOM 347 CA ALA A 24 -29.162 -15.768 -3.685 1.00 1.00 C ATOM 348 C ALA A 24 -28.221 -16.143 -2.549 1.00 1.00 C ATOM 349 O ALA A 24 -28.203 -17.298 -2.097 1.00 1.00 O ATOM 350 CB ALA A 24 -28.402 -15.068 -4.787 1.00 1.00 C ATOM 0 H ALA A 24 -30.215 -13.963 -3.470 1.00 1.00 H new ATOM 0 HA ALA A 24 -29.584 -16.692 -4.079 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -27.573 -15.696 -5.113 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -29.070 -14.882 -5.628 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -28.014 -14.120 -4.416 1.00 1.00 H new ATOM 356 N GLN A 25 -27.420 -15.186 -2.116 1.00 1.00 N ATOM 357 CA GLN A 25 -26.479 -15.408 -1.039 1.00 1.00 C ATOM 358 C GLN A 25 -26.245 -14.141 -0.213 1.00 1.00 C ATOM 359 O GLN A 25 -26.487 -14.126 0.986 1.00 1.00 O ATOM 360 CB GLN A 25 -25.166 -15.938 -1.612 1.00 1.00 C ATOM 361 CG GLN A 25 -24.779 -15.289 -2.931 1.00 1.00 C ATOM 362 CD GLN A 25 -23.707 -16.037 -3.646 1.00 1.00 C ATOM 363 OE1 GLN A 25 -22.831 -16.646 -3.033 1.00 1.00 O ATOM 364 NE2 GLN A 25 -23.766 -16.016 -4.935 1.00 1.00 N ATOM 0 H GLN A 25 -27.405 -14.241 -2.499 1.00 1.00 H new ATOM 0 HA GLN A 25 -26.903 -16.149 -0.362 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -24.369 -15.774 -0.887 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -25.249 -17.015 -1.756 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -25.659 -15.223 -3.571 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -24.443 -14.269 -2.745 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -24.510 -15.498 -5.403 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -23.069 -16.517 -5.486 1.00 1.00 H new ATOM 373 N GLY A 26 -25.796 -13.074 -0.867 1.00 1.00 N ATOM 374 CA GLY A 26 -25.491 -11.864 -0.149 1.00 1.00 C ATOM 375 C GLY A 26 -24.106 -11.945 0.428 1.00 1.00 C ATOM 376 O GLY A 26 -23.928 -12.147 1.628 1.00 1.00 O ATOM 0 H GLY A 26 -25.641 -13.032 -1.874 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -25.566 -11.006 -0.817 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -26.218 -11.711 0.649 1.00 1.00 H new ATOM 380 N VAL A 27 -23.131 -11.784 -0.430 1.00 1.00 N ATOM 381 CA VAL A 27 -21.739 -11.970 -0.052 1.00 1.00 C ATOM 382 C VAL A 27 -21.121 -10.659 0.374 1.00 1.00 C ATOM 383 O VAL A 27 -21.196 -9.678 -0.361 1.00 1.00 O ATOM 384 CB VAL A 27 -20.913 -12.542 -1.234 1.00 1.00 C ATOM 385 CG1 VAL A 27 -19.515 -12.956 -0.795 1.00 1.00 C ATOM 386 CG2 VAL A 27 -21.636 -13.700 -1.883 1.00 1.00 C ATOM 0 H VAL A 27 -23.270 -11.522 -1.406 1.00 1.00 H new ATOM 0 HA VAL A 27 -21.721 -12.675 0.779 1.00 1.00 H new ATOM 0 HB VAL A 27 -20.803 -11.747 -1.972 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -18.967 -13.352 -1.650 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -18.988 -12.090 -0.395 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -19.588 -13.723 -0.024 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -21.038 -14.085 -2.709 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -21.791 -14.490 -1.148 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -22.601 -13.361 -2.260 1.00 1.00 H new ATOM 396 N PRO A 28 -20.523 -10.610 1.562 1.00 1.00 N ATOM 397 CA PRO A 28 -19.829 -9.429 2.020 1.00 1.00 C ATOM 398 C PRO A 28 -18.474 -9.281 1.305 1.00 1.00 C ATOM 399 O PRO A 28 -17.476 -9.935 1.654 1.00 1.00 O ATOM 400 CB PRO A 28 -19.631 -9.677 3.522 1.00 1.00 C ATOM 401 CG PRO A 28 -19.633 -11.160 3.667 1.00 1.00 C ATOM 402 CD PRO A 28 -20.499 -11.699 2.560 1.00 1.00 C ATOM 0 HA PRO A 28 -20.379 -8.510 1.815 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -18.693 -9.247 3.874 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -20.430 -9.221 4.107 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -18.621 -11.558 3.596 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -20.023 -11.454 4.642 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -20.085 -12.616 2.140 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -21.501 -11.936 2.917 1.00 1.00 H new ATOM 410 N VAL A 29 -18.460 -8.450 0.307 1.00 1.00 N ATOM 411 CA VAL A 29 -17.275 -8.160 -0.469 1.00 1.00 C ATOM 412 C VAL A 29 -16.854 -6.749 -0.135 1.00 1.00 C ATOM 413 O VAL A 29 -17.667 -5.966 0.320 1.00 1.00 O ATOM 414 CB VAL A 29 -17.558 -8.260 -1.996 1.00 1.00 C ATOM 415 CG1 VAL A 29 -16.270 -8.199 -2.812 1.00 1.00 C ATOM 416 CG2 VAL A 29 -18.348 -9.517 -2.322 1.00 1.00 C ATOM 0 H VAL A 29 -19.287 -7.939 -0.004 1.00 1.00 H new ATOM 0 HA VAL A 29 -16.495 -8.883 -0.228 1.00 1.00 H new ATOM 0 HB VAL A 29 -18.163 -7.397 -2.273 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -16.508 -8.272 -3.873 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -15.761 -7.255 -2.618 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -15.620 -9.027 -2.528 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -18.532 -9.563 -3.395 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -17.779 -10.394 -2.014 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -19.300 -9.497 -1.791 1.00 1.00 H new ATOM 426 N LYS A 30 -15.615 -6.419 -0.313 1.00 1.00 N ATOM 427 CA LYS A 30 -15.206 -5.092 0.003 1.00 1.00 C ATOM 428 C LYS A 30 -14.582 -4.400 -1.174 1.00 1.00 C ATOM 429 O LYS A 30 -13.993 -5.036 -2.053 1.00 1.00 O ATOM 430 CB LYS A 30 -14.317 -5.040 1.239 1.00 1.00 C ATOM 431 CG LYS A 30 -12.915 -5.579 1.070 1.00 1.00 C ATOM 432 CD LYS A 30 -12.090 -5.290 2.317 1.00 1.00 C ATOM 433 CE LYS A 30 -12.616 -6.049 3.535 1.00 1.00 C ATOM 434 NZ LYS A 30 -11.834 -5.762 4.756 1.00 1.00 N ATOM 0 H LYS A 30 -14.884 -7.036 -0.668 1.00 1.00 H new ATOM 0 HA LYS A 30 -16.111 -4.537 0.250 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -14.249 -4.004 1.570 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -14.806 -5.598 2.037 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -12.949 -6.653 0.888 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -12.444 -5.123 0.199 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -11.051 -5.566 2.137 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -12.104 -4.220 2.522 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -13.659 -5.782 3.704 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -12.589 -7.120 3.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -12.228 -6.299 5.555 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -10.843 -6.040 4.607 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -11.880 -4.745 4.967 1.00 1.00 H new ATOM 448 N VAL A 31 -14.717 -3.112 -1.181 1.00 1.00 N ATOM 449 CA VAL A 31 -14.274 -2.270 -2.256 1.00 1.00 C ATOM 450 C VAL A 31 -13.928 -0.892 -1.663 1.00 1.00 C ATOM 451 O VAL A 31 -14.027 -0.715 -0.441 1.00 1.00 O ATOM 452 CB VAL A 31 -15.378 -2.184 -3.370 1.00 1.00 C ATOM 453 CG1 VAL A 31 -16.534 -1.270 -2.983 1.00 1.00 C ATOM 454 CG2 VAL A 31 -14.796 -1.829 -4.738 1.00 1.00 C ATOM 0 H VAL A 31 -15.152 -2.597 -0.416 1.00 1.00 H new ATOM 0 HA VAL A 31 -13.385 -2.680 -2.736 1.00 1.00 H new ATOM 0 HB VAL A 31 -15.797 -3.186 -3.458 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -17.267 -1.249 -3.790 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -17.005 -1.644 -2.074 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -16.158 -0.262 -2.808 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -15.599 -1.782 -5.474 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -14.298 -0.861 -4.681 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -14.075 -2.591 -5.036 1.00 1.00 H new ATOM 464 N LEU A 32 -13.540 0.068 -2.476 1.00 1.00 N ATOM 465 CA LEU A 32 -13.156 1.356 -1.969 1.00 1.00 C ATOM 466 C LEU A 32 -14.246 2.337 -2.125 1.00 1.00 C ATOM 467 O LEU A 32 -15.109 2.159 -2.938 1.00 1.00 O ATOM 468 CB LEU A 32 -11.928 1.893 -2.660 1.00 1.00 C ATOM 469 CG LEU A 32 -10.602 1.303 -2.256 1.00 1.00 C ATOM 470 CD1 LEU A 32 -9.524 2.079 -2.931 1.00 1.00 C ATOM 471 CD2 LEU A 32 -10.433 1.368 -0.750 1.00 1.00 C ATOM 0 H LEU A 32 -13.484 -0.025 -3.490 1.00 1.00 H new ATOM 0 HA LEU A 32 -12.934 1.212 -0.911 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -12.051 1.746 -3.733 1.00 1.00 H new ATOM 0 HB3 LEU A 32 -11.886 2.969 -2.489 1.00 1.00 H new ATOM 0 HG LEU A 32 -10.552 0.256 -2.554 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -8.553 1.670 -2.653 1.00 1.00 H new ATOM 0 HD12 LEU A 32 -9.650 2.013 -4.012 1.00 1.00 H new ATOM 0 HD13 LEU A 32 -9.579 3.123 -2.622 1.00 1.00 H new ATOM 0 HD21 LEU A 32 -9.470 0.938 -0.473 1.00 1.00 H new ATOM 0 HD22 LEU A 32 -10.474 2.407 -0.424 1.00 1.00 H new ATOM 0 HD23 LEU A 32 -11.233 0.805 -0.269 1.00 1.00 H new ATOM 483 N ASP A 33 -14.164 3.409 -1.356 1.00 1.00 N ATOM 484 CA ASP A 33 -15.161 4.493 -1.408 1.00 1.00 C ATOM 485 C ASP A 33 -15.101 5.143 -2.760 1.00 1.00 C ATOM 486 O ASP A 33 -16.129 5.588 -3.317 1.00 1.00 O ATOM 487 CB ASP A 33 -14.865 5.517 -0.300 1.00 1.00 C ATOM 488 CG ASP A 33 -15.769 6.741 -0.299 1.00 1.00 C ATOM 489 OD1 ASP A 33 -16.883 6.693 0.266 1.00 1.00 O ATOM 490 OD2 ASP A 33 -15.346 7.779 -0.822 1.00 1.00 O ATOM 0 H ASP A 33 -13.416 3.563 -0.680 1.00 1.00 H new ATOM 0 HA ASP A 33 -16.162 4.093 -1.249 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -14.951 5.020 0.666 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -13.831 5.847 -0.398 1.00 1.00 H new ATOM 495 N CYS A 34 -13.886 5.127 -3.318 1.00 1.00 N ATOM 496 CA CYS A 34 -13.586 5.737 -4.571 1.00 1.00 C ATOM 497 C CYS A 34 -13.351 4.678 -5.623 1.00 1.00 C ATOM 498 O CYS A 34 -12.435 4.783 -6.441 1.00 1.00 O ATOM 499 CB CYS A 34 -12.374 6.658 -4.442 1.00 1.00 C ATOM 500 SG CYS A 34 -12.203 7.855 -5.786 1.00 1.00 S ATOM 0 H CYS A 34 -13.082 4.674 -2.884 1.00 1.00 H new ATOM 0 HA CYS A 34 -14.438 6.343 -4.879 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -12.441 7.197 -3.497 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -11.472 6.048 -4.397 1.00 1.00 H new ATOM 0 HG CYS A 34 -11.149 8.588 -5.583 1.00 1.00 H new ATOM 506 N ASP A 35 -14.149 3.650 -5.558 1.00 1.00 N ATOM 507 CA ASP A 35 -14.212 2.630 -6.583 1.00 1.00 C ATOM 508 C ASP A 35 -14.780 3.240 -7.873 1.00 1.00 C ATOM 509 O ASP A 35 -14.810 4.444 -8.059 1.00 1.00 O ATOM 510 CB ASP A 35 -15.197 1.535 -6.125 1.00 1.00 C ATOM 511 CG ASP A 35 -16.662 2.043 -6.054 1.00 1.00 C ATOM 512 OD1 ASP A 35 -16.933 3.045 -5.332 1.00 1.00 O ATOM 513 OD2 ASP A 35 -17.516 1.461 -6.727 1.00 1.00 O ATOM 0 H ASP A 35 -14.788 3.488 -4.780 1.00 1.00 H new ATOM 0 HA ASP A 35 -13.215 2.225 -6.754 1.00 1.00 H new ATOM 0 HB2 ASP A 35 -15.142 0.691 -6.812 1.00 1.00 H new ATOM 0 HB3 ASP A 35 -14.896 1.167 -5.144 1.00 1.00 H new ATOM 518 N THR A 36 -15.174 2.409 -8.752 1.00 1.00 N ATOM 519 CA THR A 36 -15.939 2.795 -9.883 1.00 1.00 C ATOM 520 C THR A 36 -16.916 1.688 -10.079 1.00 1.00 C ATOM 521 O THR A 36 -16.614 0.555 -9.701 1.00 1.00 O ATOM 522 CB THR A 36 -15.100 3.000 -11.193 1.00 1.00 C ATOM 523 OG1 THR A 36 -14.400 1.811 -11.539 1.00 1.00 O ATOM 524 CG2 THR A 36 -14.110 4.142 -11.061 1.00 1.00 C ATOM 0 H THR A 36 -14.972 1.410 -8.711 1.00 1.00 H new ATOM 0 HA THR A 36 -16.398 3.766 -9.697 1.00 1.00 H new ATOM 0 HB THR A 36 -15.809 3.249 -11.982 1.00 1.00 H new ATOM 0 HG1 THR A 36 -14.154 1.841 -12.487 1.00 1.00 H new ATOM 0 HG21 THR A 36 -13.551 4.248 -11.991 1.00 1.00 H new ATOM 0 HG22 THR A 36 -14.647 5.067 -10.853 1.00 1.00 H new ATOM 0 HG23 THR A 36 -13.419 3.932 -10.244 1.00 1.00 H new ATOM 532 N ILE A 37 -18.053 1.965 -10.667 1.00 1.00 N ATOM 533 CA ILE A 37 -19.053 0.924 -10.891 1.00 1.00 C ATOM 534 C ILE A 37 -18.473 -0.240 -11.694 1.00 1.00 C ATOM 535 O ILE A 37 -18.735 -1.405 -11.394 1.00 1.00 O ATOM 536 CB ILE A 37 -20.340 1.472 -11.549 1.00 1.00 C ATOM 537 CG1 ILE A 37 -20.886 2.639 -10.726 1.00 1.00 C ATOM 538 CG2 ILE A 37 -21.399 0.375 -11.688 1.00 1.00 C ATOM 539 CD1 ILE A 37 -21.197 2.307 -9.291 1.00 1.00 C ATOM 0 H ILE A 37 -18.318 2.892 -11.001 1.00 1.00 H new ATOM 0 HA ILE A 37 -19.338 0.548 -9.909 1.00 1.00 H new ATOM 0 HB ILE A 37 -20.092 1.825 -12.550 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -20.160 3.452 -10.747 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -21.793 3.009 -11.204 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -22.293 0.789 -12.154 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -21.008 -0.432 -12.308 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -21.651 -0.014 -10.702 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -21.578 3.195 -8.787 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -21.948 1.518 -9.255 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -20.290 1.967 -8.791 1.00 1.00 H new ATOM 551 N SER A 38 -17.678 0.074 -12.686 1.00 1.00 N ATOM 552 CA SER A 38 -17.015 -0.937 -13.463 1.00 1.00 C ATOM 553 C SER A 38 -16.039 -1.782 -12.592 1.00 1.00 C ATOM 554 O SER A 38 -16.030 -3.014 -12.684 1.00 1.00 O ATOM 555 CB SER A 38 -16.304 -0.277 -14.647 1.00 1.00 C ATOM 556 OG SER A 38 -15.953 1.086 -14.342 1.00 1.00 O ATOM 0 H SER A 38 -17.475 1.031 -12.974 1.00 1.00 H new ATOM 0 HA SER A 38 -17.758 -1.635 -13.848 1.00 1.00 H new ATOM 0 HB2 SER A 38 -15.405 -0.841 -14.897 1.00 1.00 H new ATOM 0 HB3 SER A 38 -16.950 -0.303 -15.524 1.00 1.00 H new ATOM 0 HG SER A 38 -15.498 1.487 -15.112 1.00 1.00 H new ATOM 562 N GLN A 39 -15.272 -1.121 -11.718 1.00 1.00 N ATOM 563 CA GLN A 39 -14.306 -1.833 -10.865 1.00 1.00 C ATOM 564 C GLN A 39 -15.000 -2.608 -9.765 1.00 1.00 C ATOM 565 O GLN A 39 -14.579 -3.706 -9.401 1.00 1.00 O ATOM 566 CB GLN A 39 -13.250 -0.906 -10.288 1.00 1.00 C ATOM 567 CG GLN A 39 -12.282 -0.362 -11.310 1.00 1.00 C ATOM 568 CD GLN A 39 -11.243 0.527 -10.689 1.00 1.00 C ATOM 569 OE1 GLN A 39 -10.148 0.086 -10.357 1.00 1.00 O ATOM 570 NE2 GLN A 39 -11.585 1.761 -10.489 1.00 1.00 N ATOM 0 H GLN A 39 -15.297 -0.111 -11.581 1.00 1.00 H new ATOM 0 HA GLN A 39 -13.793 -2.546 -11.510 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -13.746 -0.071 -9.793 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -12.690 -1.443 -9.523 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -11.791 -1.191 -11.820 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -12.832 0.198 -12.067 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.506 2.089 -10.780 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -10.933 2.405 -10.040 1.00 1.00 H new ATOM 579 N ALA A 40 -16.056 -2.034 -9.223 1.00 1.00 N ATOM 580 CA ALA A 40 -16.844 -2.705 -8.216 1.00 1.00 C ATOM 581 C ALA A 40 -17.488 -3.932 -8.792 1.00 1.00 C ATOM 582 O ALA A 40 -17.527 -4.964 -8.151 1.00 1.00 O ATOM 583 CB ALA A 40 -17.864 -1.781 -7.584 1.00 1.00 C ATOM 0 H ALA A 40 -16.387 -1.100 -9.466 1.00 1.00 H new ATOM 0 HA ALA A 40 -16.172 -3.015 -7.415 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -18.434 -2.328 -6.833 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -17.352 -0.942 -7.112 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -18.541 -1.407 -8.352 1.00 1.00 H new ATOM 589 N LYS A 41 -17.929 -3.830 -10.035 1.00 1.00 N ATOM 590 CA LYS A 41 -18.494 -4.954 -10.760 1.00 1.00 C ATOM 591 C LYS A 41 -17.485 -6.089 -10.761 1.00 1.00 C ATOM 592 O LYS A 41 -17.833 -7.249 -10.514 1.00 1.00 O ATOM 593 CB LYS A 41 -18.810 -4.513 -12.207 1.00 1.00 C ATOM 594 CG LYS A 41 -19.339 -5.592 -13.157 1.00 1.00 C ATOM 595 CD LYS A 41 -20.687 -6.143 -12.734 1.00 1.00 C ATOM 596 CE LYS A 41 -21.369 -6.900 -13.876 1.00 1.00 C ATOM 597 NZ LYS A 41 -20.533 -7.996 -14.428 1.00 1.00 N ATOM 0 H LYS A 41 -17.905 -2.962 -10.570 1.00 1.00 H new ATOM 0 HA LYS A 41 -19.415 -5.293 -10.285 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -19.544 -3.708 -12.164 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -17.902 -4.094 -12.641 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -19.421 -5.176 -14.161 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -18.619 -6.408 -13.208 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -20.557 -6.809 -11.881 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -21.328 -5.325 -12.405 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -22.311 -7.315 -13.518 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -21.612 -6.199 -14.674 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -21.073 -8.514 -15.150 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -19.675 -7.595 -14.858 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -20.265 -8.647 -13.663 1.00 1.00 H new ATOM 611 N GLU A 42 -16.236 -5.730 -10.970 1.00 1.00 N ATOM 612 CA GLU A 42 -15.158 -6.683 -11.026 1.00 1.00 C ATOM 613 C GLU A 42 -14.920 -7.303 -9.659 1.00 1.00 C ATOM 614 O GLU A 42 -14.830 -8.509 -9.540 1.00 1.00 O ATOM 615 CB GLU A 42 -13.889 -5.993 -11.489 1.00 1.00 C ATOM 616 CG GLU A 42 -14.021 -5.343 -12.836 1.00 1.00 C ATOM 617 CD GLU A 42 -12.747 -4.685 -13.283 1.00 1.00 C ATOM 618 OE1 GLU A 42 -12.537 -3.502 -12.964 1.00 1.00 O ATOM 619 OE2 GLU A 42 -11.941 -5.331 -13.962 1.00 1.00 O ATOM 0 H GLU A 42 -15.943 -4.763 -11.106 1.00 1.00 H new ATOM 0 HA GLU A 42 -15.430 -7.470 -11.729 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -13.607 -5.238 -10.756 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -13.080 -6.722 -11.523 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -14.316 -6.092 -13.570 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -14.817 -4.600 -12.801 1.00 1.00 H new ATOM 626 N LYS A 43 -14.830 -6.462 -8.641 1.00 1.00 N ATOM 627 CA LYS A 43 -14.554 -6.914 -7.280 1.00 1.00 C ATOM 628 C LYS A 43 -15.668 -7.776 -6.698 1.00 1.00 C ATOM 629 O LYS A 43 -15.393 -8.795 -6.055 1.00 1.00 O ATOM 630 CB LYS A 43 -14.246 -5.738 -6.348 1.00 1.00 C ATOM 631 CG LYS A 43 -12.960 -4.987 -6.682 1.00 1.00 C ATOM 632 CD LYS A 43 -11.734 -5.885 -6.519 1.00 1.00 C ATOM 633 CE LYS A 43 -10.443 -5.133 -6.815 1.00 1.00 C ATOM 634 NZ LYS A 43 -10.163 -4.096 -5.797 1.00 1.00 N ATOM 0 H LYS A 43 -14.945 -5.452 -8.730 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.668 -7.545 -7.352 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -15.080 -5.037 -6.380 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -14.180 -6.109 -5.325 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -13.008 -4.616 -7.706 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -12.865 -4.117 -6.032 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -11.702 -6.277 -5.502 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -11.818 -6.741 -7.188 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -9.613 -5.838 -6.853 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -10.511 -4.668 -7.798 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -9.202 -3.724 -5.935 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -10.851 -3.321 -5.892 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -10.240 -4.512 -4.847 1.00 1.00 H new ATOM 648 N MET A 44 -16.908 -7.378 -6.920 1.00 1.00 N ATOM 649 CA MET A 44 -18.051 -8.104 -6.365 1.00 1.00 C ATOM 650 C MET A 44 -18.125 -9.512 -6.946 1.00 1.00 C ATOM 651 O MET A 44 -18.357 -10.483 -6.223 1.00 1.00 O ATOM 652 CB MET A 44 -19.376 -7.367 -6.623 1.00 1.00 C ATOM 653 CG MET A 44 -19.399 -5.914 -6.152 1.00 1.00 C ATOM 654 SD MET A 44 -18.866 -5.684 -4.444 1.00 1.00 S ATOM 655 CE MET A 44 -20.147 -6.548 -3.568 1.00 1.00 C ATOM 0 H MET A 44 -17.155 -6.560 -7.477 1.00 1.00 H new ATOM 0 HA MET A 44 -17.901 -8.164 -5.287 1.00 1.00 H new ATOM 0 HB2 MET A 44 -19.588 -7.392 -7.692 1.00 1.00 H new ATOM 0 HB3 MET A 44 -20.181 -7.909 -6.126 1.00 1.00 H new ATOM 0 HG2 MET A 44 -18.757 -5.322 -6.804 1.00 1.00 H new ATOM 0 HG3 MET A 44 -20.411 -5.524 -6.261 1.00 1.00 H new ATOM 0 HE1 MET A 44 -20.315 -6.069 -2.603 1.00 1.00 H new ATOM 0 HE2 MET A 44 -21.068 -6.522 -4.151 1.00 1.00 H new ATOM 0 HE3 MET A 44 -19.846 -7.584 -3.411 1.00 1.00 H new ATOM 665 N LEU A 45 -17.907 -9.627 -8.257 1.00 1.00 N ATOM 666 CA LEU A 45 -17.942 -10.929 -8.914 1.00 1.00 C ATOM 667 C LEU A 45 -16.681 -11.741 -8.625 1.00 1.00 C ATOM 668 O LEU A 45 -16.707 -12.960 -8.639 1.00 1.00 O ATOM 669 CB LEU A 45 -18.251 -10.826 -10.446 1.00 1.00 C ATOM 670 CG LEU A 45 -17.198 -10.160 -11.369 1.00 1.00 C ATOM 671 CD1 LEU A 45 -16.078 -11.125 -11.731 1.00 1.00 C ATOM 672 CD2 LEU A 45 -17.862 -9.638 -12.632 1.00 1.00 C ATOM 0 H LEU A 45 -17.707 -8.842 -8.877 1.00 1.00 H new ATOM 0 HA LEU A 45 -18.779 -11.476 -8.480 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -18.427 -11.836 -10.818 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -19.186 -10.277 -10.560 1.00 1.00 H new ATOM 0 HG LEU A 45 -16.758 -9.327 -10.821 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -15.360 -10.622 -12.379 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -15.576 -11.458 -10.822 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -16.495 -11.987 -12.252 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -17.112 -9.173 -13.272 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -18.331 -10.465 -13.165 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -18.620 -8.901 -12.367 1.00 1.00 H new ATOM 684 N ASP A 46 -15.595 -11.030 -8.329 1.00 1.00 N ATOM 685 CA ASP A 46 -14.247 -11.604 -8.072 1.00 1.00 C ATOM 686 C ASP A 46 -14.277 -12.686 -7.007 1.00 1.00 C ATOM 687 O ASP A 46 -13.499 -13.612 -7.043 1.00 1.00 O ATOM 688 CB ASP A 46 -13.274 -10.471 -7.661 1.00 1.00 C ATOM 689 CG ASP A 46 -11.941 -10.933 -7.082 1.00 1.00 C ATOM 690 OD1 ASP A 46 -11.861 -11.128 -5.855 1.00 1.00 O ATOM 691 OD2 ASP A 46 -10.946 -11.060 -7.834 1.00 1.00 O ATOM 0 H ASP A 46 -15.613 -10.013 -8.256 1.00 1.00 H new ATOM 0 HA ASP A 46 -13.902 -12.074 -8.993 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -13.076 -9.850 -8.535 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -13.770 -9.837 -6.926 1.00 1.00 H new ATOM 696 N GLN A 47 -15.174 -12.556 -6.069 1.00 1.00 N ATOM 697 CA GLN A 47 -15.294 -13.530 -4.997 1.00 1.00 C ATOM 698 C GLN A 47 -15.875 -14.855 -5.507 1.00 1.00 C ATOM 699 O GLN A 47 -15.446 -15.937 -5.102 1.00 1.00 O ATOM 700 CB GLN A 47 -16.156 -12.979 -3.866 1.00 1.00 C ATOM 701 CG GLN A 47 -15.658 -11.667 -3.277 1.00 1.00 C ATOM 702 CD GLN A 47 -14.304 -11.747 -2.574 1.00 1.00 C ATOM 703 OE1 GLN A 47 -13.453 -12.584 -2.884 1.00 1.00 O ATOM 704 NE2 GLN A 47 -14.106 -10.870 -1.622 1.00 1.00 N ATOM 0 H GLN A 47 -15.840 -11.785 -6.017 1.00 1.00 H new ATOM 0 HA GLN A 47 -14.292 -13.725 -4.615 1.00 1.00 H new ATOM 0 HB2 GLN A 47 -17.171 -12.835 -4.236 1.00 1.00 H new ATOM 0 HB3 GLN A 47 -16.210 -13.723 -3.071 1.00 1.00 H new ATOM 0 HG2 GLN A 47 -15.592 -10.929 -4.077 1.00 1.00 H new ATOM 0 HG3 GLN A 47 -16.399 -11.301 -2.566 1.00 1.00 H new ATOM 0 HE21 GLN A 47 -14.833 -10.193 -1.393 1.00 1.00 H new ATOM 0 HE22 GLN A 47 -13.224 -10.864 -1.109 1.00 1.00 H new ATOM 713 N LEU A 48 -16.829 -14.760 -6.415 1.00 1.00 N ATOM 714 CA LEU A 48 -17.528 -15.933 -6.919 1.00 1.00 C ATOM 715 C LEU A 48 -16.756 -16.501 -8.069 1.00 1.00 C ATOM 716 O LEU A 48 -16.531 -17.700 -8.172 1.00 1.00 O ATOM 717 CB LEU A 48 -18.959 -15.562 -7.387 1.00 1.00 C ATOM 718 CG LEU A 48 -20.000 -15.213 -6.303 1.00 1.00 C ATOM 719 CD1 LEU A 48 -19.921 -16.174 -5.135 1.00 1.00 C ATOM 720 CD2 LEU A 48 -19.858 -13.768 -5.837 1.00 1.00 C ATOM 0 H LEU A 48 -17.141 -13.878 -6.822 1.00 1.00 H new ATOM 0 HA LEU A 48 -17.609 -16.669 -6.119 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -18.881 -14.711 -8.063 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -19.348 -16.397 -7.970 1.00 1.00 H new ATOM 0 HG LEU A 48 -20.987 -15.318 -6.753 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -20.667 -15.901 -4.388 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -20.112 -17.188 -5.485 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -18.927 -16.125 -4.690 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -20.607 -13.557 -5.074 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -18.862 -13.616 -5.420 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -20.003 -13.097 -6.683 1.00 1.00 H new ATOM 964 N LEU A 63 -25.928 -4.458 -18.476 1.00 1.00 N ATOM 965 CA LEU A 63 -26.824 -4.768 -17.410 1.00 1.00 C ATOM 966 C LEU A 63 -26.879 -3.599 -16.448 1.00 1.00 C ATOM 967 O LEU A 63 -26.043 -2.730 -16.515 1.00 1.00 O ATOM 968 CB LEU A 63 -26.399 -6.076 -16.726 1.00 1.00 C ATOM 969 CG LEU A 63 -25.163 -6.032 -15.833 1.00 1.00 C ATOM 970 CD1 LEU A 63 -25.550 -5.664 -14.414 1.00 1.00 C ATOM 971 CD2 LEU A 63 -24.464 -7.367 -15.867 1.00 1.00 C ATOM 0 HA LEU A 63 -27.831 -4.927 -17.796 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -27.237 -6.429 -16.125 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -26.227 -6.822 -17.502 1.00 1.00 H new ATOM 0 HG LEU A 63 -24.480 -5.269 -16.206 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -24.657 -5.637 -13.789 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -26.026 -4.684 -14.409 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -26.245 -6.407 -14.022 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -23.582 -7.332 -15.228 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -25.142 -8.142 -15.508 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -24.163 -7.594 -16.890 1.00 1.00 H new ATOM 983 N ASP A 64 -27.858 -3.559 -15.596 1.00 1.00 N ATOM 984 CA ASP A 64 -27.993 -2.444 -14.679 1.00 1.00 C ATOM 985 C ASP A 64 -27.629 -2.923 -13.303 1.00 1.00 C ATOM 986 O ASP A 64 -27.964 -4.064 -12.930 1.00 1.00 O ATOM 987 CB ASP A 64 -29.446 -1.953 -14.578 1.00 1.00 C ATOM 988 CG ASP A 64 -30.229 -1.956 -15.855 1.00 1.00 C ATOM 989 OD1 ASP A 64 -29.661 -1.712 -16.934 1.00 1.00 O ATOM 990 OD2 ASP A 64 -31.451 -2.224 -15.786 1.00 1.00 O ATOM 0 H ASP A 64 -28.577 -4.277 -15.508 1.00 1.00 H new ATOM 0 HA ASP A 64 -27.355 -1.640 -15.045 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -29.970 -2.575 -13.852 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -29.439 -0.938 -14.181 1.00 1.00 H new ATOM 995 N VAL A 65 -26.949 -2.115 -12.535 1.00 1.00 N ATOM 996 CA VAL A 65 -26.763 -2.476 -11.170 1.00 1.00 C ATOM 997 C VAL A 65 -27.698 -1.636 -10.332 1.00 1.00 C ATOM 998 O VAL A 65 -27.589 -0.396 -10.292 1.00 1.00 O ATOM 999 CB VAL A 65 -25.263 -2.398 -10.660 1.00 1.00 C ATOM 1000 CG1 VAL A 65 -24.684 -0.991 -10.694 1.00 1.00 C ATOM 1001 CG2 VAL A 65 -25.135 -2.988 -9.260 1.00 1.00 C ATOM 0 H VAL A 65 -26.529 -1.232 -12.825 1.00 1.00 H new ATOM 0 HA VAL A 65 -27.005 -3.534 -11.069 1.00 1.00 H new ATOM 0 HB VAL A 65 -24.677 -2.993 -11.360 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -23.656 -1.012 -10.332 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -24.701 -0.615 -11.717 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -25.280 -0.337 -10.057 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -24.098 -2.923 -8.931 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -25.769 -2.430 -8.571 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -25.446 -4.032 -9.275 1.00 1.00 H new ATOM 1011 N GLU A 66 -28.650 -2.266 -9.704 1.00 1.00 N ATOM 1012 CA GLU A 66 -29.549 -1.523 -8.905 1.00 1.00 C ATOM 1013 C GLU A 66 -29.001 -1.480 -7.541 1.00 1.00 C ATOM 1014 O GLU A 66 -28.900 -2.504 -6.861 1.00 1.00 O ATOM 1015 CB GLU A 66 -30.968 -2.098 -8.901 1.00 1.00 C ATOM 1016 CG GLU A 66 -31.953 -1.226 -8.128 1.00 1.00 C ATOM 1017 CD GLU A 66 -33.347 -1.780 -8.094 1.00 1.00 C ATOM 1018 OE1 GLU A 66 -33.626 -2.637 -7.243 1.00 1.00 O ATOM 1019 OE2 GLU A 66 -34.183 -1.347 -8.886 1.00 1.00 O ATOM 0 H GLU A 66 -28.813 -3.272 -9.735 1.00 1.00 H new ATOM 0 HA GLU A 66 -29.643 -0.521 -9.324 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -31.314 -2.207 -9.929 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -30.950 -3.096 -8.463 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -31.594 -1.105 -7.106 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -31.976 -0.233 -8.577 1.00 1.00 H new ATOM 1026 N TRP A 67 -28.620 -0.330 -7.139 1.00 1.00 N ATOM 1027 CA TRP A 67 -28.052 -0.175 -5.885 1.00 1.00 C ATOM 1028 C TRP A 67 -29.142 -0.046 -4.843 1.00 1.00 C ATOM 1029 O TRP A 67 -30.045 0.796 -4.964 1.00 1.00 O ATOM 1030 CB TRP A 67 -27.132 1.016 -5.866 1.00 1.00 C ATOM 1031 CG TRP A 67 -26.187 0.929 -4.755 1.00 1.00 C ATOM 1032 CD1 TRP A 67 -26.493 1.008 -3.451 1.00 1.00 C ATOM 1033 CD2 TRP A 67 -24.785 0.728 -4.836 1.00 1.00 C ATOM 1034 NE1 TRP A 67 -25.407 0.861 -2.695 1.00 1.00 N ATOM 1035 CE2 TRP A 67 -24.310 0.696 -3.529 1.00 1.00 C ATOM 1036 CE3 TRP A 67 -23.878 0.574 -5.892 1.00 1.00 C ATOM 1037 CZ2 TRP A 67 -22.963 0.513 -3.239 1.00 1.00 C ATOM 1038 CZ3 TRP A 67 -22.546 0.399 -5.604 1.00 1.00 C ATOM 1039 CH2 TRP A 67 -22.098 0.368 -4.288 1.00 1.00 C ATOM 0 H TRP A 67 -28.700 0.528 -7.684 1.00 1.00 H new ATOM 0 HA TRP A 67 -27.454 -1.056 -5.650 1.00 1.00 H new ATOM 0 HB2 TRP A 67 -26.587 1.074 -6.808 1.00 1.00 H new ATOM 0 HB3 TRP A 67 -27.718 1.931 -5.779 1.00 1.00 H new ATOM 0 HD1 TRP A 67 -27.489 1.170 -3.066 1.00 1.00 H new ATOM 0 HE1 TRP A 67 -25.385 0.868 -1.675 1.00 1.00 H new ATOM 0 HE3 TRP A 67 -24.220 0.593 -6.916 1.00 1.00 H new ATOM 0 HZ2 TRP A 67 -22.611 0.486 -2.218 1.00 1.00 H new ATOM 0 HZ3 TRP A 67 -21.837 0.284 -6.411 1.00 1.00 H new ATOM 0 HH2 TRP A 67 -21.046 0.227 -4.090 1.00 1.00 H new ATOM 1050 N ARG A 68 -29.048 -0.864 -3.827 1.00 1.00 N ATOM 1051 CA ARG A 68 -30.018 -0.913 -2.788 1.00 1.00 C ATOM 1052 C ARG A 68 -29.340 -0.650 -1.441 1.00 1.00 C ATOM 1053 O ARG A 68 -28.881 -1.569 -0.761 1.00 1.00 O ATOM 1054 CB ARG A 68 -30.676 -2.304 -2.795 1.00 1.00 C ATOM 1055 CG ARG A 68 -31.479 -2.590 -4.051 1.00 1.00 C ATOM 1056 CD ARG A 68 -32.047 -4.002 -4.070 1.00 1.00 C ATOM 1057 NE ARG A 68 -32.830 -4.240 -5.294 1.00 1.00 N ATOM 1058 CZ ARG A 68 -33.643 -5.276 -5.530 1.00 1.00 C ATOM 1059 NH1 ARG A 68 -33.791 -6.245 -4.637 1.00 1.00 N ATOM 1060 NH2 ARG A 68 -34.329 -5.311 -6.667 1.00 1.00 N ATOM 0 H ARG A 68 -28.278 -1.522 -3.705 1.00 1.00 H new ATOM 0 HA ARG A 68 -30.780 -0.150 -2.946 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -29.902 -3.064 -2.688 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -31.330 -2.392 -1.928 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -32.296 -1.872 -4.128 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -30.844 -2.445 -4.925 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -31.234 -4.726 -4.008 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -32.678 -4.156 -3.195 1.00 1.00 H new ATOM 0 HE ARG A 68 -32.744 -3.546 -6.036 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -33.281 -6.207 -3.754 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -34.415 -7.028 -4.833 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -34.232 -4.555 -7.345 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -34.953 -6.094 -6.862 1.00 1.00 H new ATOM 1074 N SER A 69 -29.257 0.593 -1.064 1.00 1.00 N ATOM 1075 CA SER A 69 -28.691 0.935 0.236 1.00 1.00 C ATOM 1076 C SER A 69 -29.793 1.128 1.218 1.00 1.00 C ATOM 1077 O SER A 69 -29.581 1.160 2.428 1.00 1.00 O ATOM 1078 CB SER A 69 -27.865 2.199 0.163 1.00 1.00 C ATOM 1079 OG SER A 69 -26.675 1.997 -0.556 1.00 1.00 O ATOM 0 H SER A 69 -29.567 1.389 -1.622 1.00 1.00 H new ATOM 0 HA SER A 69 -28.041 0.118 0.549 1.00 1.00 H new ATOM 0 HB2 SER A 69 -28.448 2.989 -0.311 1.00 1.00 H new ATOM 0 HB3 SER A 69 -27.629 2.539 1.171 1.00 1.00 H new ATOM 0 HG SER A 69 -26.887 1.662 -1.452 1.00 1.00 H new ATOM 1085 N GLY A 70 -30.961 1.315 0.686 1.00 1.00 N ATOM 1086 CA GLY A 70 -32.133 1.498 1.514 1.00 1.00 C ATOM 1087 C GLY A 70 -32.339 2.940 1.909 1.00 1.00 C ATOM 1088 O GLY A 70 -33.442 3.463 1.784 1.00 1.00 O ATOM 0 H GLY A 70 -31.138 1.346 -0.318 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -33.013 1.142 0.978 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -32.039 0.888 2.412 1.00 1.00 H new ATOM 1092 N VAL A 71 -31.266 3.594 2.342 1.00 1.00 N ATOM 1093 CA VAL A 71 -31.311 5.003 2.755 1.00 1.00 C ATOM 1094 C VAL A 71 -31.758 5.903 1.593 1.00 1.00 C ATOM 1095 O VAL A 71 -32.614 6.751 1.754 1.00 1.00 O ATOM 1096 CB VAL A 71 -29.937 5.486 3.339 1.00 1.00 C ATOM 1097 CG1 VAL A 71 -29.603 4.708 4.594 1.00 1.00 C ATOM 1098 CG2 VAL A 71 -28.798 5.338 2.326 1.00 1.00 C ATOM 0 H VAL A 71 -30.342 3.169 2.418 1.00 1.00 H new ATOM 0 HA VAL A 71 -32.049 5.082 3.553 1.00 1.00 H new ATOM 0 HB VAL A 71 -30.039 6.545 3.575 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -28.648 5.051 4.991 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -30.383 4.866 5.339 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -29.537 3.646 4.357 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -27.866 5.684 2.773 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -28.697 4.290 2.042 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -29.019 5.934 1.440 1.00 1.00 H new ATOM 1108 N ALA A 72 -31.198 5.668 0.421 1.00 1.00 N ATOM 1109 CA ALA A 72 -31.591 6.382 -0.781 1.00 1.00 C ATOM 1110 C ALA A 72 -32.482 5.480 -1.613 1.00 1.00 C ATOM 1111 O ALA A 72 -32.938 5.834 -2.694 1.00 1.00 O ATOM 1112 CB ALA A 72 -30.373 6.782 -1.557 1.00 1.00 C ATOM 0 H ALA A 72 -30.460 4.979 0.275 1.00 1.00 H new ATOM 0 HA ALA A 72 -32.138 7.287 -0.517 1.00 1.00 H new ATOM 0 HB1 ALA A 72 -30.675 7.317 -2.457 1.00 1.00 H new ATOM 0 HB2 ALA A 72 -29.747 7.429 -0.943 1.00 1.00 H new ATOM 0 HB3 ALA A 72 -29.810 5.891 -1.836 1.00 1.00 H new ATOM 1118 N GLY A 73 -32.704 4.308 -1.083 1.00 1.00 N ATOM 1119 CA GLY A 73 -33.543 3.338 -1.693 1.00 1.00 C ATOM 1120 C GLY A 73 -32.851 2.549 -2.774 1.00 1.00 C ATOM 1121 O GLY A 73 -31.776 1.966 -2.554 1.00 1.00 O ATOM 0 H GLY A 73 -32.295 4.004 -0.199 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -33.909 2.652 -0.929 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -34.414 3.836 -2.117 1.00 1.00 H new ATOM 1125 N HIS A 74 -33.476 2.521 -3.908 1.00 1.00 N ATOM 1126 CA HIS A 74 -33.017 1.786 -5.086 1.00 1.00 C ATOM 1127 C HIS A 74 -32.698 2.763 -6.190 1.00 1.00 C ATOM 1128 O HIS A 74 -33.573 3.497 -6.652 1.00 1.00 O ATOM 1129 CB HIS A 74 -34.107 0.807 -5.598 1.00 1.00 C ATOM 1130 CG HIS A 74 -34.562 -0.270 -4.633 1.00 1.00 C ATOM 1131 ND1 HIS A 74 -34.744 -1.584 -5.005 1.00 1.00 N ATOM 1132 CD2 HIS A 74 -34.915 -0.211 -3.324 1.00 1.00 C ATOM 1133 CE1 HIS A 74 -35.188 -2.275 -3.973 1.00 1.00 C ATOM 1134 NE2 HIS A 74 -35.297 -1.465 -2.945 1.00 1.00 N ATOM 0 H HIS A 74 -34.352 3.020 -4.064 1.00 1.00 H new ATOM 0 HA HIS A 74 -32.132 1.215 -4.804 1.00 1.00 H new ATOM 0 HB2 HIS A 74 -34.979 1.392 -5.891 1.00 1.00 H new ATOM 0 HB3 HIS A 74 -33.732 0.321 -6.498 1.00 1.00 H new ATOM 0 HD1 HIS A 74 -34.563 -1.964 -5.934 1.00 1.00 H new ATOM 0 HD2 HIS A 74 -34.897 0.668 -2.697 1.00 1.00 H new ATOM 0 HE1 HIS A 74 -35.422 -3.329 -3.973 1.00 1.00 H new ATOM 1143 N LEU A 75 -31.471 2.780 -6.607 1.00 1.00 N ATOM 1144 CA LEU A 75 -31.043 3.650 -7.670 1.00 1.00 C ATOM 1145 C LEU A 75 -30.244 2.851 -8.661 1.00 1.00 C ATOM 1146 O LEU A 75 -29.457 1.996 -8.264 1.00 1.00 O ATOM 1147 CB LEU A 75 -30.206 4.802 -7.122 1.00 1.00 C ATOM 1148 CG LEU A 75 -30.923 5.797 -6.194 1.00 1.00 C ATOM 1149 CD1 LEU A 75 -29.937 6.801 -5.632 1.00 1.00 C ATOM 1150 CD2 LEU A 75 -32.042 6.520 -6.931 1.00 1.00 C ATOM 0 H LEU A 75 -30.732 2.192 -6.222 1.00 1.00 H new ATOM 0 HA LEU A 75 -31.918 4.076 -8.160 1.00 1.00 H new ATOM 0 HB2 LEU A 75 -29.360 4.380 -6.579 1.00 1.00 H new ATOM 0 HB3 LEU A 75 -29.798 5.358 -7.966 1.00 1.00 H new ATOM 0 HG LEU A 75 -31.362 5.233 -5.371 1.00 1.00 H new ATOM 0 HD11 LEU A 75 -30.461 7.498 -4.977 1.00 1.00 H new ATOM 0 HD12 LEU A 75 -29.168 6.277 -5.064 1.00 1.00 H new ATOM 0 HD13 LEU A 75 -29.472 7.351 -6.450 1.00 1.00 H new ATOM 0 HD21 LEU A 75 -32.533 7.218 -6.253 1.00 1.00 H new ATOM 0 HD22 LEU A 75 -31.626 7.068 -7.777 1.00 1.00 H new ATOM 0 HD23 LEU A 75 -32.769 5.793 -7.292 1.00 1.00 H new ATOM 1162 N ILE A 76 -30.444 3.092 -9.929 1.00 1.00 N ATOM 1163 CA ILE A 76 -29.712 2.361 -10.932 1.00 1.00 C ATOM 1164 C ILE A 76 -28.369 3.022 -11.165 1.00 1.00 C ATOM 1165 O ILE A 76 -28.300 4.181 -11.570 1.00 1.00 O ATOM 1166 CB ILE A 76 -30.472 2.283 -12.277 1.00 1.00 C ATOM 1167 CG1 ILE A 76 -31.933 1.846 -12.066 1.00 1.00 C ATOM 1168 CG2 ILE A 76 -29.754 1.323 -13.211 1.00 1.00 C ATOM 1169 CD1 ILE A 76 -32.091 0.560 -11.300 1.00 1.00 C ATOM 0 H ILE A 76 -31.102 3.782 -10.291 1.00 1.00 H new ATOM 0 HA ILE A 76 -29.584 1.345 -10.560 1.00 1.00 H new ATOM 0 HB ILE A 76 -30.489 3.276 -12.727 1.00 1.00 H new ATOM 0 HG12 ILE A 76 -32.464 2.638 -11.537 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -32.411 1.736 -13.039 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -30.290 1.268 -14.159 1.00 1.00 H new ATOM 0 HG22 ILE A 76 -28.739 1.678 -13.388 1.00 1.00 H new ATOM 0 HG23 ILE A 76 -29.718 0.333 -12.757 1.00 1.00 H new ATOM 0 HD11 ILE A 76 -33.151 0.326 -11.197 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -31.592 -0.247 -11.837 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -31.645 0.668 -10.311 1.00 1.00 H new ATOM 1181 N LEU A 77 -27.318 2.300 -10.899 1.00 1.00 N ATOM 1182 CA LEU A 77 -25.989 2.807 -11.086 1.00 1.00 C ATOM 1183 C LEU A 77 -25.303 2.147 -12.278 1.00 1.00 C ATOM 1184 O LEU A 77 -25.709 1.081 -12.745 1.00 1.00 O ATOM 1185 CB LEU A 77 -25.136 2.649 -9.815 1.00 1.00 C ATOM 1186 CG LEU A 77 -25.212 3.776 -8.756 1.00 1.00 C ATOM 1187 CD1 LEU A 77 -26.633 4.031 -8.306 1.00 1.00 C ATOM 1188 CD2 LEU A 77 -24.388 3.375 -7.574 1.00 1.00 C ATOM 0 H LEU A 77 -27.358 1.344 -10.547 1.00 1.00 H new ATOM 0 HA LEU A 77 -26.082 3.873 -11.296 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -25.422 1.715 -9.332 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -24.095 2.544 -10.120 1.00 1.00 H new ATOM 0 HG LEU A 77 -24.835 4.695 -9.205 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -26.642 4.829 -7.563 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -27.239 4.326 -9.163 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -27.044 3.122 -7.867 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -24.431 4.159 -6.818 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -24.778 2.447 -7.157 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -23.354 3.227 -7.885 1.00 1.00 H new ATOM 1200 N SER A 78 -24.298 2.811 -12.770 1.00 1.00 N ATOM 1201 CA SER A 78 -23.472 2.391 -13.884 1.00 1.00 C ATOM 1202 C SER A 78 -22.245 3.276 -13.869 1.00 1.00 C ATOM 1203 O SER A 78 -22.261 4.323 -13.210 1.00 1.00 O ATOM 1204 CB SER A 78 -24.210 2.550 -15.217 1.00 1.00 C ATOM 1205 OG SER A 78 -25.234 1.584 -15.352 1.00 1.00 O ATOM 0 H SER A 78 -24.010 3.712 -12.389 1.00 1.00 H new ATOM 0 HA SER A 78 -23.213 1.337 -13.786 1.00 1.00 H new ATOM 0 HB2 SER A 78 -24.639 3.550 -15.281 1.00 1.00 H new ATOM 0 HB3 SER A 78 -23.503 2.452 -16.041 1.00 1.00 H new ATOM 0 HG SER A 78 -25.347 1.107 -14.504 1.00 1.00 H new ATOM 1211 N ASP A 79 -21.194 2.882 -14.551 1.00 1.00 N ATOM 1212 CA ASP A 79 -19.979 3.690 -14.605 1.00 1.00 C ATOM 1213 C ASP A 79 -20.259 4.984 -15.342 1.00 1.00 C ATOM 1214 O ASP A 79 -19.794 6.038 -14.949 1.00 1.00 O ATOM 1215 CB ASP A 79 -18.801 2.920 -15.243 1.00 1.00 C ATOM 1216 CG ASP A 79 -19.125 2.327 -16.599 1.00 1.00 C ATOM 1217 OD1 ASP A 79 -20.151 1.662 -16.714 1.00 1.00 O ATOM 1218 OD2 ASP A 79 -18.327 2.499 -17.560 1.00 1.00 O ATOM 0 H ASP A 79 -21.148 2.010 -15.078 1.00 1.00 H new ATOM 0 HA ASP A 79 -19.678 3.924 -13.584 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -17.950 3.594 -15.345 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -18.495 2.119 -14.570 1.00 1.00 H new ATOM 1223 N GLU A 80 -21.049 4.885 -16.376 1.00 1.00 N ATOM 1224 CA GLU A 80 -21.491 6.024 -17.139 1.00 1.00 C ATOM 1225 C GLU A 80 -22.987 5.858 -17.384 1.00 1.00 C ATOM 1226 O GLU A 80 -23.419 4.807 -17.859 1.00 1.00 O ATOM 1227 CB GLU A 80 -20.707 6.095 -18.462 1.00 1.00 C ATOM 1228 CG GLU A 80 -21.052 7.266 -19.366 1.00 1.00 C ATOM 1229 CD GLU A 80 -20.237 7.271 -20.639 1.00 1.00 C ATOM 1230 OE1 GLU A 80 -20.546 6.485 -21.565 1.00 1.00 O ATOM 1231 OE2 GLU A 80 -19.268 8.055 -20.736 1.00 1.00 O ATOM 0 H GLU A 80 -21.411 3.995 -16.719 1.00 1.00 H new ATOM 0 HA GLU A 80 -21.311 6.956 -16.603 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -19.643 6.138 -18.231 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -20.876 5.170 -19.014 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -22.112 7.228 -19.617 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -20.885 8.199 -18.827 1.00 1.00 H new ATOM 1433 N LEU A 93 -17.618 9.090 -13.481 1.00 1.00 N ATOM 1434 CA LEU A 93 -17.849 7.718 -13.089 1.00 1.00 C ATOM 1435 C LEU A 93 -18.581 7.698 -11.767 1.00 1.00 C ATOM 1436 O LEU A 93 -18.394 8.591 -10.937 1.00 1.00 O ATOM 1437 CB LEU A 93 -16.513 6.994 -12.929 1.00 1.00 C ATOM 1438 CG LEU A 93 -15.693 6.794 -14.204 1.00 1.00 C ATOM 1439 CD1 LEU A 93 -14.307 6.306 -13.857 1.00 1.00 C ATOM 1440 CD2 LEU A 93 -16.373 5.800 -15.121 1.00 1.00 C ATOM 0 HA LEU A 93 -18.443 7.219 -13.854 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -15.906 7.551 -12.216 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -16.705 6.015 -12.489 1.00 1.00 H new ATOM 0 HG LEU A 93 -15.617 7.751 -14.720 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -13.731 6.167 -14.772 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -13.810 7.041 -13.224 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -14.378 5.357 -13.325 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -15.776 5.670 -16.023 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -16.472 4.842 -14.610 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -17.362 6.171 -15.391 1.00 1.00 H new ATOM 1452 N ASN A 94 -19.412 6.712 -11.557 1.00 1.00 N ATOM 1453 CA ASN A 94 -20.103 6.609 -10.297 1.00 1.00 C ATOM 1454 C ASN A 94 -19.296 5.775 -9.339 1.00 1.00 C ATOM 1455 O ASN A 94 -18.665 4.789 -9.737 1.00 1.00 O ATOM 1456 CB ASN A 94 -21.520 6.020 -10.441 1.00 1.00 C ATOM 1457 CG ASN A 94 -22.527 6.996 -11.003 1.00 1.00 C ATOM 1458 OD1 ASN A 94 -23.033 7.859 -10.295 1.00 1.00 O ATOM 1459 ND2 ASN A 94 -22.863 6.845 -12.262 1.00 1.00 N ATOM 0 H ASN A 94 -19.626 5.977 -12.231 1.00 1.00 H new ATOM 0 HA ASN A 94 -20.216 7.621 -9.909 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -21.476 5.144 -11.088 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -21.863 5.679 -9.464 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -23.565 7.456 -12.679 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -22.422 6.116 -12.824 1.00 1.00 H new ATOM 1466 N THR A 95 -19.301 6.191 -8.111 1.00 1.00 N ATOM 1467 CA THR A 95 -18.637 5.534 -7.037 1.00 1.00 C ATOM 1468 C THR A 95 -19.657 5.203 -6.001 1.00 1.00 C ATOM 1469 O THR A 95 -20.825 5.681 -6.095 1.00 1.00 O ATOM 1470 CB THR A 95 -17.720 6.528 -6.365 1.00 1.00 C ATOM 1471 OG1 THR A 95 -18.376 7.806 -6.354 1.00 1.00 O ATOM 1472 CG2 THR A 95 -16.426 6.641 -7.064 1.00 1.00 C ATOM 0 H THR A 95 -19.792 7.037 -7.821 1.00 1.00 H new ATOM 0 HA THR A 95 -18.107 4.659 -7.413 1.00 1.00 H new ATOM 0 HB THR A 95 -17.512 6.185 -5.351 1.00 1.00 H new ATOM 0 HG1 THR A 95 -17.737 8.504 -6.608 1.00 1.00 H new ATOM 0 HG21 THR A 95 -15.796 7.366 -6.549 1.00 1.00 H new ATOM 0 HG22 THR A 95 -15.930 5.670 -7.071 1.00 1.00 H new ATOM 0 HG23 THR A 95 -16.594 6.970 -8.089 1.00 1.00 H new ATOM 1480 N LEU A 96 -19.268 4.447 -5.018 1.00 1.00 N ATOM 1481 CA LEU A 96 -20.148 4.238 -3.900 1.00 1.00 C ATOM 1482 C LEU A 96 -20.321 5.554 -3.153 1.00 1.00 C ATOM 1483 O LEU A 96 -21.368 5.805 -2.564 1.00 1.00 O ATOM 1484 CB LEU A 96 -19.728 3.061 -2.972 1.00 1.00 C ATOM 1485 CG LEU A 96 -18.511 3.242 -2.040 1.00 1.00 C ATOM 1486 CD1 LEU A 96 -18.872 3.995 -0.757 1.00 1.00 C ATOM 1487 CD2 LEU A 96 -17.932 1.887 -1.699 1.00 1.00 C ATOM 0 H LEU A 96 -18.367 3.972 -4.963 1.00 1.00 H new ATOM 0 HA LEU A 96 -21.115 3.919 -4.289 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -20.586 2.811 -2.348 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -19.532 2.196 -3.606 1.00 1.00 H new ATOM 0 HG LEU A 96 -17.772 3.843 -2.570 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -17.984 4.098 -0.133 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -19.254 4.984 -1.011 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -19.636 3.440 -0.212 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -17.072 2.014 -1.041 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -18.688 1.284 -1.196 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -17.617 1.385 -2.614 1.00 1.00 H new ATOM 1499 N GLN A 97 -19.275 6.413 -3.195 1.00 1.00 N ATOM 1500 CA GLN A 97 -19.326 7.724 -2.574 1.00 1.00 C ATOM 1501 C GLN A 97 -20.313 8.646 -3.290 1.00 1.00 C ATOM 1502 O GLN A 97 -20.833 9.572 -2.693 1.00 1.00 O ATOM 1503 CB GLN A 97 -17.947 8.362 -2.515 1.00 1.00 C ATOM 1504 CG GLN A 97 -17.547 9.174 -3.740 1.00 1.00 C ATOM 1505 CD GLN A 97 -16.066 9.190 -3.949 1.00 1.00 C ATOM 1506 OE1 GLN A 97 -15.479 10.204 -4.298 1.00 1.00 O ATOM 1507 NE2 GLN A 97 -15.476 8.061 -3.812 1.00 1.00 N ATOM 0 H GLN A 97 -18.390 6.205 -3.658 1.00 1.00 H new ATOM 0 HA GLN A 97 -19.679 7.582 -1.553 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -17.903 9.011 -1.640 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -17.208 7.575 -2.365 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -18.032 8.759 -4.623 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -17.908 10.197 -3.629 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -16.006 7.241 -3.518 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -14.476 7.983 -3.996 1.00 1.00 H new ATOM 1516 N HIS A 98 -20.555 8.398 -4.573 1.00 1.00 N ATOM 1517 CA HIS A 98 -21.499 9.214 -5.324 1.00 1.00 C ATOM 1518 C HIS A 98 -22.883 9.029 -4.724 1.00 1.00 C ATOM 1519 O HIS A 98 -23.643 9.972 -4.587 1.00 1.00 O ATOM 1520 CB HIS A 98 -21.500 8.833 -6.815 1.00 1.00 C ATOM 1521 CG HIS A 98 -22.205 9.831 -7.707 1.00 1.00 C ATOM 1522 ND1 HIS A 98 -21.537 10.809 -8.408 1.00 1.00 N ATOM 1523 CD2 HIS A 98 -23.518 9.990 -8.008 1.00 1.00 C ATOM 1524 CE1 HIS A 98 -22.399 11.523 -9.094 1.00 1.00 C ATOM 1525 NE2 HIS A 98 -23.605 11.051 -8.872 1.00 1.00 N ATOM 0 H HIS A 98 -20.116 7.648 -5.108 1.00 1.00 H new ATOM 0 HA HIS A 98 -21.203 10.261 -5.258 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -20.469 8.725 -7.152 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -21.976 7.859 -6.930 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -24.339 9.394 -7.637 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -22.157 12.359 -9.734 1.00 1.00 H new ATOM 0 HE2 HIS A 98 -24.467 11.415 -9.277 1.00 1.00 H new ATOM 1534 N TYR A 99 -23.193 7.796 -4.385 1.00 1.00 N ATOM 1535 CA TYR A 99 -24.447 7.459 -3.718 1.00 1.00 C ATOM 1536 C TYR A 99 -24.307 7.695 -2.184 1.00 1.00 C ATOM 1537 O TYR A 99 -25.298 7.891 -1.488 1.00 1.00 O ATOM 1538 CB TYR A 99 -24.683 5.950 -3.980 1.00 1.00 C ATOM 1539 CG TYR A 99 -26.024 5.356 -3.566 1.00 1.00 C ATOM 1540 CD1 TYR A 99 -26.420 5.332 -2.245 1.00 1.00 C ATOM 1541 CD2 TYR A 99 -26.861 4.769 -4.502 1.00 1.00 C ATOM 1542 CE1 TYR A 99 -27.579 4.759 -1.864 1.00 1.00 C ATOM 1543 CE2 TYR A 99 -28.056 4.189 -4.114 1.00 1.00 C ATOM 1544 CZ TYR A 99 -28.398 4.189 -2.786 1.00 1.00 C ATOM 1545 OH TYR A 99 -29.565 3.607 -2.365 1.00 1.00 O ATOM 0 H TYR A 99 -22.588 6.994 -4.561 1.00 1.00 H new ATOM 0 HA TYR A 99 -25.270 8.070 -4.088 1.00 1.00 H new ATOM 0 HB2 TYR A 99 -24.553 5.772 -5.047 1.00 1.00 H new ATOM 0 HB3 TYR A 99 -23.898 5.395 -3.466 1.00 1.00 H new ATOM 0 HD1 TYR A 99 -25.785 5.784 -1.497 1.00 1.00 H new ATOM 0 HD2 TYR A 99 -26.578 4.764 -5.544 1.00 1.00 H new ATOM 0 HE1 TYR A 99 -27.858 4.753 -0.821 1.00 1.00 H new ATOM 0 HE2 TYR A 99 -28.711 3.742 -4.848 1.00 1.00 H new ATOM 0 HH TYR A 99 -29.879 2.975 -3.045 1.00 1.00 H new ATOM 1555 N LYS A 100 -23.060 7.763 -1.717 1.00 1.00 N ATOM 1556 CA LYS A 100 -22.718 7.802 -0.280 1.00 1.00 C ATOM 1557 C LYS A 100 -23.386 6.657 0.465 1.00 1.00 C ATOM 1558 O LYS A 100 -24.197 6.870 1.373 1.00 1.00 O ATOM 1559 CB LYS A 100 -23.004 9.155 0.396 1.00 1.00 C ATOM 1560 CG LYS A 100 -21.949 10.238 0.142 1.00 1.00 C ATOM 1561 CD LYS A 100 -20.521 9.771 0.496 1.00 1.00 C ATOM 1562 CE LYS A 100 -20.314 9.572 1.994 1.00 1.00 C ATOM 1563 NZ LYS A 100 -20.381 10.842 2.734 1.00 1.00 N ATOM 0 H LYS A 100 -22.243 7.793 -2.327 1.00 1.00 H new ATOM 0 HA LYS A 100 -21.637 7.676 -0.225 1.00 1.00 H new ATOM 0 HB2 LYS A 100 -23.970 9.521 0.049 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -23.090 8.997 1.471 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -21.981 10.532 -0.907 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -22.194 11.123 0.729 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -20.312 8.835 -0.022 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -19.803 10.505 0.130 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -21.072 8.889 2.377 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -19.346 9.103 2.167 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -20.086 10.686 3.719 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -19.748 11.537 2.289 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -21.356 11.202 2.718 1.00 1.00 H new ATOM 1577 N VAL A 101 -23.052 5.447 0.068 1.00 1.00 N ATOM 1578 CA VAL A 101 -23.667 4.264 0.647 1.00 1.00 C ATOM 1579 C VAL A 101 -23.154 3.966 2.060 1.00 1.00 C ATOM 1580 O VAL A 101 -22.019 4.315 2.411 1.00 1.00 O ATOM 1581 CB VAL A 101 -23.486 3.012 -0.262 1.00 1.00 C ATOM 1582 CG1 VAL A 101 -23.624 3.388 -1.705 1.00 1.00 C ATOM 1583 CG2 VAL A 101 -22.160 2.310 -0.019 1.00 1.00 C ATOM 0 H VAL A 101 -22.358 5.253 -0.654 1.00 1.00 H new ATOM 0 HA VAL A 101 -24.731 4.488 0.720 1.00 1.00 H new ATOM 0 HB VAL A 101 -24.275 2.307 -0.000 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -23.495 2.502 -2.326 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -24.614 3.811 -1.878 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -22.864 4.126 -1.963 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -22.081 1.444 -0.676 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -21.341 2.998 -0.226 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -22.106 1.983 1.020 1.00 1.00 H new ATOM 1593 N PRO A 102 -24.009 3.363 2.895 1.00 1.00 N ATOM 1594 CA PRO A 102 -23.637 2.917 4.229 1.00 1.00 C ATOM 1595 C PRO A 102 -22.821 1.640 4.187 1.00 1.00 C ATOM 1596 O PRO A 102 -22.776 0.949 3.155 1.00 1.00 O ATOM 1597 CB PRO A 102 -24.981 2.677 4.904 1.00 1.00 C ATOM 1598 CG PRO A 102 -25.877 2.264 3.795 1.00 1.00 C ATOM 1599 CD PRO A 102 -25.432 3.067 2.606 1.00 1.00 C ATOM 0 HA PRO A 102 -23.011 3.640 4.752 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -24.910 1.903 5.668 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -25.346 3.578 5.396 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -25.795 1.195 3.600 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -26.921 2.465 4.037 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -25.544 2.505 1.679 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -26.017 3.980 2.498 1.00 1.00 H new ATOM 1607 N ASP A 103 -22.166 1.333 5.288 1.00 1.00 N ATOM 1608 CA ASP A 103 -21.398 0.114 5.370 1.00 1.00 C ATOM 1609 C ASP A 103 -22.321 -1.074 5.295 1.00 1.00 C ATOM 1610 O ASP A 103 -23.342 -1.136 5.979 1.00 1.00 O ATOM 1611 CB ASP A 103 -20.521 0.064 6.645 1.00 1.00 C ATOM 1612 CG ASP A 103 -21.308 0.004 7.948 1.00 1.00 C ATOM 1613 OD1 ASP A 103 -21.679 1.076 8.473 1.00 1.00 O ATOM 1614 OD2 ASP A 103 -21.545 -1.111 8.468 1.00 1.00 O ATOM 0 H ASP A 103 -22.151 1.908 6.131 1.00 1.00 H new ATOM 0 HA ASP A 103 -20.714 0.086 4.522 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -19.868 -0.807 6.588 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -19.878 0.944 6.663 1.00 1.00 H new ATOM 1619 N GLY A 104 -22.003 -1.975 4.421 1.00 1.00 N ATOM 1620 CA GLY A 104 -22.805 -3.150 4.260 1.00 1.00 C ATOM 1621 C GLY A 104 -23.948 -2.927 3.301 1.00 1.00 C ATOM 1622 O GLY A 104 -24.963 -3.619 3.372 1.00 1.00 O ATOM 0 H GLY A 104 -21.192 -1.921 3.805 1.00 1.00 H new ATOM 0 HA2 GLY A 104 -22.182 -3.967 3.897 1.00 1.00 H new ATOM 0 HA3 GLY A 104 -23.199 -3.455 5.229 1.00 1.00 H new ATOM 1626 N ALA A 105 -23.790 -1.956 2.404 1.00 1.00 N ATOM 1627 CA ALA A 105 -24.821 -1.638 1.419 1.00 1.00 C ATOM 1628 C ALA A 105 -25.041 -2.803 0.463 1.00 1.00 C ATOM 1629 O ALA A 105 -24.154 -3.612 0.253 1.00 1.00 O ATOM 1630 CB ALA A 105 -24.465 -0.384 0.654 1.00 1.00 C ATOM 0 H ALA A 105 -22.955 -1.374 2.339 1.00 1.00 H new ATOM 0 HA ALA A 105 -25.752 -1.459 1.956 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -25.247 -0.167 -0.074 1.00 1.00 H new ATOM 0 HB2 ALA A 105 -24.373 0.452 1.348 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -23.518 -0.531 0.135 1.00 1.00 H new ATOM 1636 N THR A 106 -26.204 -2.883 -0.110 1.00 1.00 N ATOM 1637 CA THR A 106 -26.536 -3.987 -0.968 1.00 1.00 C ATOM 1638 C THR A 106 -26.572 -3.561 -2.432 1.00 1.00 C ATOM 1639 O THR A 106 -27.125 -2.524 -2.773 1.00 1.00 O ATOM 1640 CB THR A 106 -27.893 -4.608 -0.552 1.00 1.00 C ATOM 1641 OG1 THR A 106 -27.796 -5.102 0.795 1.00 1.00 O ATOM 1642 CG2 THR A 106 -28.291 -5.758 -1.477 1.00 1.00 C ATOM 0 H THR A 106 -26.946 -2.192 0.001 1.00 1.00 H new ATOM 0 HA THR A 106 -25.757 -4.741 -0.858 1.00 1.00 H new ATOM 0 HB THR A 106 -28.655 -3.832 -0.622 1.00 1.00 H new ATOM 0 HG1 THR A 106 -28.653 -5.494 1.062 1.00 1.00 H new ATOM 0 HG21 THR A 106 -29.248 -6.169 -1.155 1.00 1.00 H new ATOM 0 HG22 THR A 106 -28.380 -5.389 -2.499 1.00 1.00 H new ATOM 0 HG23 THR A 106 -27.529 -6.537 -1.438 1.00 1.00 H new ATOM 1650 N VAL A 107 -25.940 -4.327 -3.271 1.00 1.00 N ATOM 1651 CA VAL A 107 -25.997 -4.087 -4.693 1.00 1.00 C ATOM 1652 C VAL A 107 -26.740 -5.216 -5.352 1.00 1.00 C ATOM 1653 O VAL A 107 -26.642 -6.354 -4.906 1.00 1.00 O ATOM 1654 CB VAL A 107 -24.594 -3.936 -5.343 1.00 1.00 C ATOM 1655 CG1 VAL A 107 -23.882 -2.751 -4.761 1.00 1.00 C ATOM 1656 CG2 VAL A 107 -23.748 -5.196 -5.178 1.00 1.00 C ATOM 0 H VAL A 107 -25.374 -5.130 -2.998 1.00 1.00 H new ATOM 0 HA VAL A 107 -26.515 -3.140 -4.842 1.00 1.00 H new ATOM 0 HB VAL A 107 -24.741 -3.781 -6.412 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -22.900 -2.654 -5.223 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -24.463 -1.848 -4.950 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -23.765 -2.889 -3.686 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -22.776 -5.046 -5.647 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -23.610 -5.405 -4.117 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -24.253 -6.038 -5.651 1.00 1.00 H new ATOM 1666 N ALA A 108 -27.520 -4.908 -6.351 1.00 1.00 N ATOM 1667 CA ALA A 108 -28.226 -5.918 -7.078 1.00 1.00 C ATOM 1668 C ALA A 108 -27.925 -5.818 -8.553 1.00 1.00 C ATOM 1669 O ALA A 108 -27.914 -4.752 -9.127 1.00 1.00 O ATOM 1670 CB ALA A 108 -29.711 -5.844 -6.834 1.00 1.00 C ATOM 0 H ALA A 108 -27.681 -3.956 -6.680 1.00 1.00 H new ATOM 0 HA ALA A 108 -27.881 -6.886 -6.715 1.00 1.00 H new ATOM 0 HB1 ALA A 108 -30.213 -6.627 -7.403 1.00 1.00 H new ATOM 0 HB2 ALA A 108 -29.912 -5.982 -5.772 1.00 1.00 H new ATOM 0 HB3 ALA A 108 -30.084 -4.870 -7.151 1.00 1.00 H new ATOM 1676 N LEU A 109 -27.708 -6.929 -9.139 1.00 1.00 N ATOM 1677 CA LEU A 109 -27.361 -7.035 -10.537 1.00 1.00 C ATOM 1678 C LEU A 109 -28.592 -7.479 -11.328 1.00 1.00 C ATOM 1679 O LEU A 109 -29.198 -8.495 -11.001 1.00 1.00 O ATOM 1680 CB LEU A 109 -26.215 -8.078 -10.665 1.00 1.00 C ATOM 1681 CG LEU A 109 -25.521 -8.240 -12.032 1.00 1.00 C ATOM 1682 CD1 LEU A 109 -24.102 -8.740 -11.835 1.00 1.00 C ATOM 1683 CD2 LEU A 109 -26.285 -9.213 -12.924 1.00 1.00 C ATOM 0 H LEU A 109 -27.763 -7.829 -8.663 1.00 1.00 H new ATOM 0 HA LEU A 109 -27.028 -6.076 -10.935 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -25.450 -7.822 -9.932 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -26.617 -9.050 -10.379 1.00 1.00 H new ATOM 0 HG LEU A 109 -25.503 -7.265 -12.520 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -23.618 -8.852 -12.805 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -23.544 -8.024 -11.232 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -24.123 -9.704 -11.326 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -25.773 -9.308 -13.881 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -26.334 -10.189 -12.440 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -27.295 -8.839 -13.089 1.00 1.00 H new ATOM 1695 N VAL A 110 -28.972 -6.708 -12.338 1.00 1.00 N ATOM 1696 CA VAL A 110 -30.093 -7.061 -13.202 1.00 1.00 C ATOM 1697 C VAL A 110 -29.645 -6.970 -14.669 1.00 1.00 C ATOM 1698 O VAL A 110 -28.864 -6.095 -15.008 1.00 1.00 O ATOM 1699 CB VAL A 110 -31.361 -6.164 -12.963 1.00 1.00 C ATOM 1700 CG1 VAL A 110 -31.836 -6.243 -11.530 1.00 1.00 C ATOM 1701 CG2 VAL A 110 -31.123 -4.721 -13.353 1.00 1.00 C ATOM 0 H VAL A 110 -28.517 -5.828 -12.581 1.00 1.00 H new ATOM 0 HA VAL A 110 -30.389 -8.081 -12.956 1.00 1.00 H new ATOM 0 HB VAL A 110 -32.143 -6.561 -13.610 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -32.714 -5.610 -11.402 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -32.094 -7.274 -11.288 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -31.043 -5.902 -10.865 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -32.027 -4.141 -13.170 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -30.304 -4.314 -12.760 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -30.866 -4.668 -14.411 1.00 1.00 H new ATOM 1711 N PRO A 111 -30.135 -7.855 -15.554 1.00 1.00 N ATOM 1712 CA PRO A 111 -29.677 -7.924 -16.964 1.00 1.00 C ATOM 1713 C PRO A 111 -30.278 -6.824 -17.877 1.00 1.00 C ATOM 1714 O PRO A 111 -30.800 -7.119 -18.962 1.00 1.00 O ATOM 1715 CB PRO A 111 -30.144 -9.313 -17.394 1.00 1.00 C ATOM 1716 CG PRO A 111 -31.379 -9.561 -16.596 1.00 1.00 C ATOM 1717 CD PRO A 111 -31.173 -8.874 -15.272 1.00 1.00 C ATOM 0 HA PRO A 111 -28.603 -7.759 -17.049 1.00 1.00 H new ATOM 0 HB2 PRO A 111 -30.350 -9.348 -18.464 1.00 1.00 H new ATOM 0 HB3 PRO A 111 -29.383 -10.067 -17.191 1.00 1.00 H new ATOM 0 HG2 PRO A 111 -32.257 -9.166 -17.106 1.00 1.00 H new ATOM 0 HG3 PRO A 111 -31.544 -10.629 -16.458 1.00 1.00 H new ATOM 0 HD2 PRO A 111 -32.094 -8.416 -14.912 1.00 1.00 H new ATOM 0 HD3 PRO A 111 -30.845 -9.576 -14.505 1.00 1.00 H new ATOM 1725 N CYS A 112 -30.162 -5.571 -17.430 1.00 1.00 N ATOM 1726 CA CYS A 112 -30.685 -4.400 -18.116 1.00 1.00 C ATOM 1727 C CYS A 112 -32.177 -4.445 -18.196 1.00 1.00 C ATOM 1728 O CYS A 112 -32.768 -4.899 -19.177 1.00 1.00 O ATOM 1729 CB CYS A 112 -30.053 -4.164 -19.480 1.00 1.00 C ATOM 1730 SG CYS A 112 -29.613 -2.435 -19.774 1.00 1.00 S ATOM 0 H CYS A 112 -29.688 -5.343 -16.556 1.00 1.00 H new ATOM 0 HA CYS A 112 -30.402 -3.539 -17.511 1.00 1.00 H new ATOM 0 HB2 CYS A 112 -29.158 -4.780 -19.570 1.00 1.00 H new ATOM 0 HB3 CYS A 112 -30.745 -4.493 -20.255 1.00 1.00 H new ATOM 0 HG CYS A 112 -29.243 -1.885 -18.656 1.00 1.00 H new