USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 445 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 35 ASN :FLIP amide:sc= 1.23 F(o=0.26!,f=2.3) USER MOD Set 1.2: A 37 THR OG1 : rot -65:sc= 1.1 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 129:sc= 1.03 USER MOD Single : A 16 GLN : amide:sc= -1.9 X(o=-1.9,f=-2.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 168:sc= 0.565 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.37 USER MOD Single : A 25 MET CE :methyl -126:sc= -3.3! (180deg=-13!) USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= -0.289 (180deg=-1.55!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -145:sc= -0.163 (180deg=-1.52!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.37) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -139:sc= -0.313 (180deg=-1.87!) USER MOD Single : A 68 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.184) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -5.077 -7.954 -6.762 1.00 0.00 N ATOM 89 CA GLU A 7 -6.378 -7.674 -6.165 1.00 0.00 C ATOM 90 C GLU A 7 -7.347 -8.828 -6.407 1.00 0.00 C ATOM 91 O GLU A 7 -6.997 -9.825 -7.040 1.00 0.00 O ATOM 92 CB GLU A 7 -6.958 -6.379 -6.735 1.00 0.00 C ATOM 93 CG GLU A 7 -6.144 -5.143 -6.389 1.00 0.00 C ATOM 94 CD GLU A 7 -6.368 -4.005 -7.365 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.829 -4.072 -8.489 1.00 0.00 O ATOM 96 OE2 GLU A 7 -7.082 -3.046 -7.004 1.00 0.00 O ATOM 0 HA GLU A 7 -6.238 -7.558 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.025 -6.467 -7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.974 -6.251 -6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.404 -4.811 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.085 -5.402 -6.375 1.00 0.00 H new ATOM 103 N LEU A 8 -8.565 -8.686 -5.898 1.00 0.00 N ATOM 104 CA LEU A 8 -9.586 -9.716 -6.057 1.00 0.00 C ATOM 105 C LEU A 8 -10.824 -9.153 -6.749 1.00 0.00 C ATOM 106 O LEU A 8 -11.110 -7.959 -6.658 1.00 0.00 O ATOM 107 CB LEU A 8 -9.969 -10.297 -4.695 1.00 0.00 C ATOM 108 CG LEU A 8 -8.955 -11.250 -4.063 1.00 0.00 C ATOM 109 CD1 LEU A 8 -7.842 -10.470 -3.380 1.00 0.00 C ATOM 110 CD2 LEU A 8 -9.641 -12.180 -3.073 1.00 0.00 C ATOM 0 H LEU A 8 -8.870 -7.868 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.173 -10.509 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.140 -9.471 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.917 -10.825 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.514 -11.856 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.130 -11.166 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.331 -9.847 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.266 -9.838 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.903 -12.851 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.111 -11.591 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.401 -12.765 -3.590 1.00 0.00 H new ATOM 122 N VAL A 9 -11.556 -10.022 -7.439 1.00 0.00 N ATOM 123 CA VAL A 9 -12.765 -9.613 -8.144 1.00 0.00 C ATOM 124 C VAL A 9 -13.959 -10.465 -7.728 1.00 0.00 C ATOM 125 O VAL A 9 -13.833 -11.675 -7.530 1.00 0.00 O ATOM 126 CB VAL A 9 -12.586 -9.711 -9.670 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.405 -8.865 -10.124 1.00 0.00 C ATOM 128 CG2 VAL A 9 -12.408 -11.161 -10.093 1.00 0.00 C ATOM 0 H VAL A 9 -11.333 -11.014 -7.525 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.952 -8.574 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.485 -9.325 -10.150 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.293 -8.946 -11.205 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.579 -7.823 -9.854 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.496 -9.219 -9.638 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.283 -11.212 -11.175 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.526 -11.576 -9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.288 -11.735 -9.802 1.00 0.00 H new ATOM 138 N LEU A 10 -15.117 -9.828 -7.597 1.00 0.00 N ATOM 139 CA LEU A 10 -16.335 -10.528 -7.204 1.00 0.00 C ATOM 140 C LEU A 10 -17.193 -10.852 -8.423 1.00 0.00 C ATOM 141 O LEU A 10 -17.433 -9.994 -9.272 1.00 0.00 O ATOM 142 CB LEU A 10 -17.136 -9.682 -6.213 1.00 0.00 C ATOM 143 CG LEU A 10 -18.159 -10.435 -5.362 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.275 -9.803 -3.984 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.514 -10.460 -6.055 1.00 0.00 C ATOM 0 H LEU A 10 -15.238 -8.828 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.049 -11.464 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.436 -9.181 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.658 -8.904 -6.769 1.00 0.00 H new ATOM 0 HG LEU A 10 -17.816 -11.463 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.008 -10.352 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.306 -9.837 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.594 -8.766 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.230 -11.000 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -19.864 -9.439 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.420 -10.959 -7.019 1.00 0.00 H new ATOM 157 N ALA A 11 -17.654 -12.097 -8.502 1.00 0.00 N ATOM 158 CA ALA A 11 -18.489 -12.533 -9.614 1.00 0.00 C ATOM 159 C ALA A 11 -19.784 -11.731 -9.676 1.00 0.00 C ATOM 160 O ALA A 11 -20.418 -11.475 -8.651 1.00 0.00 O ATOM 161 CB ALA A 11 -18.792 -14.019 -9.495 1.00 0.00 C ATOM 0 H ALA A 11 -17.463 -12.821 -7.809 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.939 -12.358 -10.539 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.416 -14.331 -10.332 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.859 -14.583 -9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.318 -14.209 -8.559 1.00 0.00 H new ATOM 167 N LEU A 12 -20.172 -11.335 -10.883 1.00 0.00 N ATOM 168 CA LEU A 12 -21.393 -10.560 -11.079 1.00 0.00 C ATOM 169 C LEU A 12 -22.569 -11.472 -11.413 1.00 0.00 C ATOM 170 O LEU A 12 -23.652 -11.339 -10.843 1.00 0.00 O ATOM 171 CB LEU A 12 -21.195 -9.534 -12.196 1.00 0.00 C ATOM 172 CG LEU A 12 -20.104 -8.489 -11.961 1.00 0.00 C ATOM 173 CD1 LEU A 12 -19.968 -7.578 -13.171 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.404 -7.676 -10.710 1.00 0.00 C ATOM 0 H LEU A 12 -19.659 -11.538 -11.741 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.616 -10.037 -10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.965 -10.069 -13.117 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.140 -9.014 -12.356 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.157 -9.008 -11.814 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.187 -6.841 -12.985 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.705 -8.172 -14.046 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.914 -7.067 -13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.617 -6.937 -10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.361 -7.168 -10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.449 -8.340 -9.847 1.00 0.00 H new ATOM 186 N TYR A 13 -22.347 -12.399 -12.339 1.00 0.00 N ATOM 187 CA TYR A 13 -23.389 -13.333 -12.749 1.00 0.00 C ATOM 188 C TYR A 13 -22.865 -14.766 -12.753 1.00 0.00 C ATOM 189 O TYR A 13 -21.659 -14.998 -12.665 1.00 0.00 O ATOM 190 CB TYR A 13 -23.914 -12.966 -14.138 1.00 0.00 C ATOM 191 CG TYR A 13 -24.568 -11.604 -14.198 1.00 0.00 C ATOM 192 CD1 TYR A 13 -23.805 -10.444 -14.156 1.00 0.00 C ATOM 193 CD2 TYR A 13 -25.948 -11.479 -14.299 1.00 0.00 C ATOM 194 CE1 TYR A 13 -24.399 -9.197 -14.210 1.00 0.00 C ATOM 195 CE2 TYR A 13 -26.550 -10.236 -14.355 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.771 -9.099 -14.309 1.00 0.00 C ATOM 197 OH TYR A 13 -26.366 -7.859 -14.365 1.00 0.00 O ATOM 0 H TYR A 13 -21.456 -12.523 -12.819 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.205 -13.266 -12.030 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.088 -12.995 -14.849 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -24.634 -13.720 -14.456 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -22.730 -10.518 -14.080 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -26.561 -12.368 -14.334 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -23.792 -8.304 -14.175 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -27.624 -10.156 -14.434 1.00 0.00 H new ATOM 0 HH TYR A 13 -27.338 -7.965 -14.434 1.00 0.00 H new ATOM 207 N ASP A 14 -23.780 -15.723 -12.857 1.00 0.00 N ATOM 208 CA ASP A 14 -23.412 -17.134 -12.875 1.00 0.00 C ATOM 209 C ASP A 14 -22.763 -17.510 -14.204 1.00 0.00 C ATOM 210 O ASP A 14 -23.271 -17.168 -15.272 1.00 0.00 O ATOM 211 CB ASP A 14 -24.643 -18.008 -12.630 1.00 0.00 C ATOM 212 CG ASP A 14 -25.568 -18.055 -13.830 1.00 0.00 C ATOM 213 OD1 ASP A 14 -26.053 -16.983 -14.247 1.00 0.00 O ATOM 214 OD2 ASP A 14 -25.808 -19.165 -14.351 1.00 0.00 O ATOM 0 H ASP A 14 -24.782 -15.548 -12.930 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.690 -17.305 -12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -24.323 -19.020 -12.382 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -25.190 -17.626 -11.768 1.00 0.00 H new ATOM 219 N TYR A 15 -21.639 -18.214 -14.129 1.00 0.00 N ATOM 220 CA TYR A 15 -20.919 -18.633 -15.326 1.00 0.00 C ATOM 221 C TYR A 15 -20.432 -20.072 -15.192 1.00 0.00 C ATOM 222 O TYR A 15 -20.609 -20.704 -14.152 1.00 0.00 O ATOM 223 CB TYR A 15 -19.732 -17.703 -15.584 1.00 0.00 C ATOM 224 CG TYR A 15 -19.429 -17.501 -17.052 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.323 -16.833 -17.880 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.251 -17.979 -17.611 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.051 -16.646 -19.222 1.00 0.00 C ATOM 228 CE2 TYR A 15 -17.970 -17.796 -18.951 1.00 0.00 C ATOM 229 CZ TYR A 15 -18.873 -17.129 -19.752 1.00 0.00 C ATOM 230 OH TYR A 15 -18.597 -16.946 -21.088 1.00 0.00 O ATOM 0 H TYR A 15 -21.207 -18.506 -13.253 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.606 -18.578 -16.171 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -19.934 -16.734 -15.127 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.849 -18.110 -15.092 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.246 -16.453 -17.468 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.542 -18.503 -16.987 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -20.757 -16.125 -19.852 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.048 -18.173 -19.369 1.00 0.00 H new ATOM 0 HH TYR A 15 -17.704 -16.554 -21.187 1.00 0.00 H new ATOM 240 N GLN A 16 -19.816 -20.582 -16.254 1.00 0.00 N ATOM 241 CA GLN A 16 -19.303 -21.947 -16.256 1.00 0.00 C ATOM 242 C GLN A 16 -18.065 -22.062 -17.141 1.00 0.00 C ATOM 243 O GLN A 16 -17.751 -21.150 -17.904 1.00 0.00 O ATOM 244 CB GLN A 16 -20.381 -22.919 -16.738 1.00 0.00 C ATOM 245 CG GLN A 16 -20.624 -22.863 -18.238 1.00 0.00 C ATOM 246 CD GLN A 16 -21.188 -21.530 -18.688 1.00 0.00 C ATOM 247 OE1 GLN A 16 -21.946 -20.886 -17.962 1.00 0.00 O ATOM 248 NE2 GLN A 16 -20.820 -21.107 -19.892 1.00 0.00 N ATOM 0 H GLN A 16 -19.660 -20.071 -17.123 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.022 -22.204 -15.235 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -20.093 -23.934 -16.463 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -21.314 -22.700 -16.219 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.687 -23.052 -18.761 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.313 -23.659 -18.521 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.190 -21.673 -20.461 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -21.168 -20.217 -20.248 1.00 0.00 H new ATOM 257 N GLU A 17 -17.368 -23.188 -17.031 1.00 0.00 N ATOM 258 CA GLU A 17 -16.164 -23.421 -17.821 1.00 0.00 C ATOM 259 C GLU A 17 -16.519 -23.768 -19.264 1.00 0.00 C ATOM 260 O GLU A 17 -16.315 -24.897 -19.711 1.00 0.00 O ATOM 261 CB GLU A 17 -15.332 -24.546 -17.203 1.00 0.00 C ATOM 262 CG GLU A 17 -16.117 -25.827 -16.971 1.00 0.00 C ATOM 263 CD GLU A 17 -15.254 -27.069 -17.085 1.00 0.00 C ATOM 264 OE1 GLU A 17 -14.263 -27.175 -16.334 1.00 0.00 O ATOM 265 OE2 GLU A 17 -15.572 -27.935 -17.927 1.00 0.00 O ATOM 0 H GLU A 17 -17.616 -23.953 -16.403 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.576 -22.503 -17.821 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.486 -24.761 -17.856 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.922 -24.204 -16.253 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.573 -25.795 -15.981 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.930 -25.886 -17.694 1.00 0.00 H new ATOM 272 N LYS A 18 -17.052 -22.790 -19.988 1.00 0.00 N ATOM 273 CA LYS A 18 -17.435 -22.989 -21.380 1.00 0.00 C ATOM 274 C LYS A 18 -16.223 -23.356 -22.231 1.00 0.00 C ATOM 275 O LYS A 18 -16.364 -23.887 -23.332 1.00 0.00 O ATOM 276 CB LYS A 18 -18.096 -21.725 -21.935 1.00 0.00 C ATOM 277 CG LYS A 18 -19.244 -22.007 -22.888 1.00 0.00 C ATOM 278 CD LYS A 18 -19.559 -20.800 -23.755 1.00 0.00 C ATOM 279 CE LYS A 18 -20.986 -20.847 -24.278 1.00 0.00 C ATOM 280 NZ LYS A 18 -21.513 -19.486 -24.576 1.00 0.00 N ATOM 0 H LYS A 18 -17.229 -21.850 -19.633 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.148 -23.812 -21.420 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.464 -21.123 -21.104 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.344 -21.129 -22.452 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.991 -22.856 -23.523 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -20.130 -22.288 -22.319 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.412 -19.887 -23.177 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.864 -20.762 -24.594 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.022 -21.456 -25.181 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.627 -21.331 -23.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.488 -19.561 -24.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.503 -18.912 -23.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -20.917 -19.033 -25.298 1.00 0.00 H new ATOM 294 N SER A 19 -15.033 -23.072 -21.712 1.00 0.00 N ATOM 295 CA SER A 19 -13.796 -23.370 -22.424 1.00 0.00 C ATOM 296 C SER A 19 -12.833 -24.152 -21.537 1.00 0.00 C ATOM 297 O SER A 19 -12.959 -24.180 -20.313 1.00 0.00 O ATOM 298 CB SER A 19 -13.133 -22.077 -22.902 1.00 0.00 C ATOM 299 OG SER A 19 -12.010 -21.754 -22.099 1.00 0.00 O ATOM 0 H SER A 19 -14.899 -22.635 -20.800 1.00 0.00 H new ATOM 0 HA SER A 19 -14.044 -23.984 -23.290 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.822 -22.186 -23.941 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.855 -21.261 -22.869 1.00 0.00 H new ATOM 0 HG SER A 19 -11.493 -21.043 -22.531 1.00 0.00 H new ATOM 305 N PRO A 20 -11.845 -24.805 -22.168 1.00 0.00 N ATOM 306 CA PRO A 20 -10.840 -25.600 -21.456 1.00 0.00 C ATOM 307 C PRO A 20 -9.882 -24.732 -20.647 1.00 0.00 C ATOM 308 O PRO A 20 -9.064 -25.242 -19.881 1.00 0.00 O ATOM 309 CB PRO A 20 -10.091 -26.315 -22.583 1.00 0.00 C ATOM 310 CG PRO A 20 -10.274 -25.441 -23.775 1.00 0.00 C ATOM 311 CD PRO A 20 -11.634 -24.816 -23.625 1.00 0.00 C ATOM 0 HA PRO A 20 -11.293 -26.276 -20.731 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.035 -26.438 -22.341 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.496 -27.312 -22.757 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.497 -24.678 -23.823 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.210 -26.019 -24.697 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.662 -23.810 -24.043 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.402 -25.396 -24.138 1.00 0.00 H new ATOM 319 N ARG A 21 -9.990 -23.419 -20.820 1.00 0.00 N ATOM 320 CA ARG A 21 -9.132 -22.481 -20.106 1.00 0.00 C ATOM 321 C ARG A 21 -9.935 -21.678 -19.087 1.00 0.00 C ATOM 322 O ARG A 21 -9.375 -21.107 -18.152 1.00 0.00 O ATOM 323 CB ARG A 21 -8.445 -21.533 -21.091 1.00 0.00 C ATOM 324 CG ARG A 21 -7.449 -22.225 -22.008 1.00 0.00 C ATOM 325 CD ARG A 21 -6.117 -22.453 -21.312 1.00 0.00 C ATOM 326 NE ARG A 21 -5.132 -23.064 -22.200 1.00 0.00 N ATOM 327 CZ ARG A 21 -4.466 -22.391 -23.133 1.00 0.00 C ATOM 328 NH1 ARG A 21 -4.678 -21.093 -23.296 1.00 0.00 N ATOM 329 NH2 ARG A 21 -3.586 -23.018 -23.903 1.00 0.00 N ATOM 0 H ARG A 21 -10.663 -22.980 -21.448 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.372 -23.054 -19.575 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.205 -21.041 -21.699 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.929 -20.752 -20.532 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.858 -23.181 -22.336 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.295 -21.621 -22.902 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.733 -21.501 -20.945 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.267 -23.093 -20.443 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.945 -24.062 -22.099 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.353 -20.608 -22.705 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.166 -20.579 -24.013 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.420 -24.017 -23.779 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.075 -22.501 -24.619 1.00 0.00 H new ATOM 343 N GLU A 22 -11.251 -21.638 -19.276 1.00 0.00 N ATOM 344 CA GLU A 22 -12.130 -20.903 -18.374 1.00 0.00 C ATOM 345 C GLU A 22 -12.604 -21.795 -17.230 1.00 0.00 C ATOM 346 O GLU A 22 -12.537 -23.022 -17.316 1.00 0.00 O ATOM 347 CB GLU A 22 -13.335 -20.351 -19.138 1.00 0.00 C ATOM 348 CG GLU A 22 -13.094 -18.978 -19.744 1.00 0.00 C ATOM 349 CD GLU A 22 -12.601 -19.052 -21.176 1.00 0.00 C ATOM 350 OE1 GLU A 22 -13.446 -19.128 -22.092 1.00 0.00 O ATOM 351 OE2 GLU A 22 -11.369 -19.033 -21.380 1.00 0.00 O ATOM 0 H GLU A 22 -11.731 -22.106 -20.045 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.564 -20.072 -17.953 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.601 -21.048 -19.933 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.189 -20.296 -18.463 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.019 -18.403 -19.711 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.363 -18.441 -19.139 1.00 0.00 H new ATOM 358 N VAL A 23 -13.083 -21.170 -16.160 1.00 0.00 N ATOM 359 CA VAL A 23 -13.570 -21.906 -14.999 1.00 0.00 C ATOM 360 C VAL A 23 -15.038 -21.597 -14.728 1.00 0.00 C ATOM 361 O VAL A 23 -15.647 -20.773 -15.411 1.00 0.00 O ATOM 362 CB VAL A 23 -12.746 -21.576 -13.740 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.490 -22.432 -13.684 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.394 -20.097 -13.706 1.00 0.00 C ATOM 0 H VAL A 23 -13.144 -20.156 -16.073 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.462 -22.966 -15.228 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.351 -21.802 -12.862 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.921 -22.185 -12.788 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.769 -23.485 -13.658 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.879 -22.240 -14.566 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.812 -19.882 -12.810 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.808 -19.842 -14.589 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.309 -19.505 -13.695 1.00 0.00 H new ATOM 374 N THR A 24 -15.602 -22.263 -13.725 1.00 0.00 N ATOM 375 CA THR A 24 -16.999 -22.061 -13.363 1.00 0.00 C ATOM 376 C THR A 24 -17.121 -21.307 -12.044 1.00 0.00 C ATOM 377 O THR A 24 -16.509 -21.682 -11.044 1.00 0.00 O ATOM 378 CB THR A 24 -17.749 -23.401 -13.246 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.645 -24.129 -14.475 1.00 0.00 O ATOM 380 CG2 THR A 24 -19.214 -23.174 -12.908 1.00 0.00 C ATOM 0 H THR A 24 -15.112 -22.947 -13.149 1.00 0.00 H new ATOM 0 HA THR A 24 -17.450 -21.470 -14.160 1.00 0.00 H new ATOM 0 HB THR A 24 -17.293 -23.978 -12.442 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.123 -24.981 -14.392 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.723 -24.135 -12.831 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.291 -22.645 -11.958 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.680 -22.579 -13.693 1.00 0.00 H new ATOM 388 N MET A 25 -17.916 -20.242 -12.048 1.00 0.00 N ATOM 389 CA MET A 25 -18.120 -19.436 -10.850 1.00 0.00 C ATOM 390 C MET A 25 -19.540 -18.881 -10.803 1.00 0.00 C ATOM 391 O MET A 25 -20.231 -18.828 -11.821 1.00 0.00 O ATOM 392 CB MET A 25 -17.110 -18.288 -10.803 1.00 0.00 C ATOM 393 CG MET A 25 -16.734 -17.867 -9.392 1.00 0.00 C ATOM 394 SD MET A 25 -15.824 -19.145 -8.504 1.00 0.00 S ATOM 395 CE MET A 25 -15.174 -18.203 -7.126 1.00 0.00 C ATOM 0 H MET A 25 -18.429 -19.917 -12.867 1.00 0.00 H new ATOM 0 HA MET A 25 -17.971 -20.078 -9.982 1.00 0.00 H new ATOM 0 HB2 MET A 25 -16.208 -18.587 -11.337 1.00 0.00 H new ATOM 0 HB3 MET A 25 -17.524 -17.429 -11.332 1.00 0.00 H new ATOM 0 HG2 MET A 25 -16.130 -16.961 -9.436 1.00 0.00 H new ATOM 0 HG3 MET A 25 -17.639 -17.620 -8.838 1.00 0.00 H new ATOM 0 HE1 MET A 25 -14.093 -18.331 -7.075 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.408 -17.147 -7.264 1.00 0.00 H new ATOM 0 HE3 MET A 25 -15.625 -18.556 -6.199 1.00 0.00 H new ATOM 405 N LYS A 26 -19.971 -18.469 -9.615 1.00 0.00 N ATOM 406 CA LYS A 26 -21.308 -17.916 -9.435 1.00 0.00 C ATOM 407 C LYS A 26 -21.242 -16.513 -8.841 1.00 0.00 C ATOM 408 O LYS A 26 -20.327 -16.192 -8.082 1.00 0.00 O ATOM 409 CB LYS A 26 -22.140 -18.827 -8.530 1.00 0.00 C ATOM 410 CG LYS A 26 -23.637 -18.705 -8.755 1.00 0.00 C ATOM 411 CD LYS A 26 -24.399 -19.820 -8.059 1.00 0.00 C ATOM 412 CE LYS A 26 -24.519 -21.051 -8.945 1.00 0.00 C ATOM 413 NZ LYS A 26 -23.320 -21.928 -8.841 1.00 0.00 N ATOM 0 H LYS A 26 -19.413 -18.508 -8.762 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.783 -17.854 -10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -21.839 -19.862 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -21.917 -18.593 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -23.984 -17.740 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.848 -18.731 -9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.891 -20.086 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -25.394 -19.468 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -25.408 -21.616 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.653 -20.741 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -23.603 -22.920 -8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -22.633 -21.665 -9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -22.885 -21.812 -7.903 1.00 0.00 H new ATOM 427 N LYS A 27 -22.218 -15.682 -9.188 1.00 0.00 N ATOM 428 CA LYS A 27 -22.272 -14.313 -8.687 1.00 0.00 C ATOM 429 C LYS A 27 -22.130 -14.284 -7.169 1.00 0.00 C ATOM 430 O LYS A 27 -22.821 -15.010 -6.457 1.00 0.00 O ATOM 431 CB LYS A 27 -23.588 -13.650 -9.100 1.00 0.00 C ATOM 432 CG LYS A 27 -24.809 -14.247 -8.422 1.00 0.00 C ATOM 433 CD LYS A 27 -26.086 -13.905 -9.171 1.00 0.00 C ATOM 434 CE LYS A 27 -26.537 -12.481 -8.883 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.894 -12.207 -9.432 1.00 0.00 N ATOM 0 H LYS A 27 -22.983 -15.932 -9.814 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.440 -13.759 -9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -23.538 -12.586 -8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -23.705 -13.735 -10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.700 -15.330 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -24.876 -13.877 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.925 -14.027 -10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.874 -14.602 -8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.540 -12.312 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -25.823 -11.780 -9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.165 -11.227 -9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -27.885 -12.344 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -28.581 -12.859 -9.002 1.00 0.00 H new ATOM 449 N GLY A 28 -21.229 -13.437 -6.680 1.00 0.00 N ATOM 450 CA GLY A 28 -21.013 -13.328 -5.249 1.00 0.00 C ATOM 451 C GLY A 28 -19.704 -13.954 -4.810 1.00 0.00 C ATOM 452 O GLY A 28 -19.155 -13.594 -3.769 1.00 0.00 O ATOM 0 H GLY A 28 -20.645 -12.825 -7.249 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.023 -12.276 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.837 -13.810 -4.723 1.00 0.00 H new ATOM 456 N ASP A 29 -19.203 -14.893 -5.606 1.00 0.00 N ATOM 457 CA ASP A 29 -17.950 -15.570 -5.294 1.00 0.00 C ATOM 458 C ASP A 29 -16.754 -14.705 -5.679 1.00 0.00 C ATOM 459 O ASP A 29 -16.619 -14.295 -6.832 1.00 0.00 O ATOM 460 CB ASP A 29 -17.878 -16.915 -6.020 1.00 0.00 C ATOM 461 CG ASP A 29 -19.196 -17.664 -5.982 1.00 0.00 C ATOM 462 OD1 ASP A 29 -19.964 -17.467 -5.017 1.00 0.00 O ATOM 463 OD2 ASP A 29 -19.459 -18.448 -6.918 1.00 0.00 O ATOM 0 H ASP A 29 -19.645 -15.202 -6.471 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.918 -15.744 -4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.587 -16.750 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.101 -17.529 -5.565 1.00 0.00 H new ATOM 468 N ILE A 30 -15.891 -14.433 -4.707 1.00 0.00 N ATOM 469 CA ILE A 30 -14.706 -13.617 -4.944 1.00 0.00 C ATOM 470 C ILE A 30 -13.543 -14.468 -5.441 1.00 0.00 C ATOM 471 O ILE A 30 -13.372 -15.612 -5.019 1.00 0.00 O ATOM 472 CB ILE A 30 -14.273 -12.869 -3.670 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.420 -12.004 -3.144 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.044 -12.016 -3.948 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.210 -11.517 -1.728 1.00 0.00 C ATOM 0 H ILE A 30 -15.990 -14.765 -3.748 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.973 -12.888 -5.710 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.017 -13.603 -2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.546 -11.143 -3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.346 -12.577 -3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.750 -11.493 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.225 -12.655 -4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.275 -11.288 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.062 -10.910 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.115 -12.373 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.302 -10.917 -1.681 1.00 0.00 H new ATOM 487 N LEU A 31 -12.745 -13.902 -6.340 1.00 0.00 N ATOM 488 CA LEU A 31 -11.595 -14.608 -6.894 1.00 0.00 C ATOM 489 C LEU A 31 -10.348 -13.729 -6.861 1.00 0.00 C ATOM 490 O LEU A 31 -10.424 -12.536 -6.567 1.00 0.00 O ATOM 491 CB LEU A 31 -11.885 -15.048 -8.330 1.00 0.00 C ATOM 492 CG LEU A 31 -13.210 -15.777 -8.554 1.00 0.00 C ATOM 493 CD1 LEU A 31 -14.323 -14.784 -8.851 1.00 0.00 C ATOM 494 CD2 LEU A 31 -13.079 -16.788 -9.684 1.00 0.00 C ATOM 0 H LEU A 31 -12.873 -12.957 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.411 -15.490 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.866 -14.166 -8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.075 -15.699 -8.660 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.465 -16.314 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.258 -15.322 -9.008 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.434 -14.100 -8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.075 -14.218 -9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.032 -17.297 -9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.800 -16.273 -10.603 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.312 -17.519 -9.431 1.00 0.00 H new ATOM 506 N THR A 32 -9.201 -14.327 -7.168 1.00 0.00 N ATOM 507 CA THR A 32 -7.938 -13.599 -7.175 1.00 0.00 C ATOM 508 C THR A 32 -7.522 -13.233 -8.595 1.00 0.00 C ATOM 509 O THR A 32 -7.514 -14.081 -9.488 1.00 0.00 O ATOM 510 CB THR A 32 -6.813 -14.420 -6.518 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.192 -14.795 -5.189 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.517 -13.625 -6.475 1.00 0.00 C ATOM 0 H THR A 32 -9.121 -15.313 -7.415 1.00 0.00 H new ATOM 0 HA THR A 32 -8.096 -12.687 -6.599 1.00 0.00 H new ATOM 0 HB THR A 32 -6.651 -15.317 -7.116 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.472 -15.318 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.737 -14.226 -6.007 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.215 -13.366 -7.490 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.669 -12.713 -5.898 1.00 0.00 H new ATOM 520 N LEU A 33 -7.177 -11.966 -8.797 1.00 0.00 N ATOM 521 CA LEU A 33 -6.759 -11.488 -10.110 1.00 0.00 C ATOM 522 C LEU A 33 -5.409 -12.081 -10.501 1.00 0.00 C ATOM 523 O LEU A 33 -4.470 -12.096 -9.704 1.00 0.00 O ATOM 524 CB LEU A 33 -6.678 -9.960 -10.116 1.00 0.00 C ATOM 525 CG LEU A 33 -5.899 -9.334 -11.273 1.00 0.00 C ATOM 526 CD1 LEU A 33 -6.400 -9.869 -12.606 1.00 0.00 C ATOM 527 CD2 LEU A 33 -6.008 -7.817 -11.231 1.00 0.00 C ATOM 0 H LEU A 33 -7.179 -11.252 -8.069 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.502 -11.810 -10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.693 -9.562 -10.130 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.222 -9.637 -9.180 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.849 -9.606 -11.167 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.834 -9.412 -13.417 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.269 -10.951 -12.636 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.457 -9.628 -12.721 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.447 -7.389 -12.062 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.055 -7.525 -11.311 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.600 -7.449 -10.290 1.00 0.00 H new ATOM 539 N LEU A 34 -5.318 -12.568 -11.734 1.00 0.00 N ATOM 540 CA LEU A 34 -4.082 -13.161 -12.233 1.00 0.00 C ATOM 541 C LEU A 34 -3.644 -12.494 -13.533 1.00 0.00 C ATOM 542 O LEU A 34 -2.469 -12.178 -13.714 1.00 0.00 O ATOM 543 CB LEU A 34 -4.267 -14.663 -12.454 1.00 0.00 C ATOM 544 CG LEU A 34 -3.794 -15.573 -11.320 1.00 0.00 C ATOM 545 CD1 LEU A 34 -2.275 -15.646 -11.293 1.00 0.00 C ATOM 546 CD2 LEU A 34 -4.330 -15.080 -9.983 1.00 0.00 C ATOM 0 H LEU A 34 -6.085 -12.564 -12.406 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.305 -13.003 -11.486 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.325 -14.856 -12.630 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.736 -14.944 -13.364 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.182 -16.576 -11.498 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.956 -16.298 -10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.913 -16.045 -12.241 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.865 -14.648 -11.139 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.984 -15.739 -9.187 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.971 -14.068 -9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.420 -15.080 -10.006 1.00 0.00 H new ATOM 558 N ASN A 35 -4.598 -12.282 -14.434 1.00 0.00 N ATOM 559 CA ASN A 35 -4.311 -11.651 -15.717 1.00 0.00 C ATOM 560 C ASN A 35 -5.389 -10.634 -16.076 1.00 0.00 C ATOM 561 O ASN A 35 -6.576 -10.959 -16.112 1.00 0.00 O ATOM 562 CB ASN A 35 -4.205 -12.710 -16.817 1.00 0.00 C ATOM 563 CG ASN A 35 -3.447 -12.208 -18.031 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.105 -11.389 -18.843 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.283 -12.552 -18.236 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.576 -12.538 -14.299 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.358 -11.128 -15.632 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.706 -13.594 -16.420 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.206 -13.018 -17.119 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.816 -13.183 -17.585 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.786 -12.206 -19.056 1.00 0.00 H new ATOM 572 N SER A 36 -4.968 -9.402 -16.342 1.00 0.00 N ATOM 573 CA SER A 36 -5.897 -8.335 -16.696 1.00 0.00 C ATOM 574 C SER A 36 -5.449 -7.624 -17.969 1.00 0.00 C ATOM 575 O SER A 36 -5.715 -6.436 -18.158 1.00 0.00 O ATOM 576 CB SER A 36 -6.012 -7.329 -15.549 1.00 0.00 C ATOM 577 OG SER A 36 -4.761 -7.137 -14.912 1.00 0.00 O ATOM 0 H SER A 36 -3.989 -9.118 -16.319 1.00 0.00 H new ATOM 0 HA SER A 36 -6.874 -8.783 -16.876 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.379 -6.377 -15.932 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.743 -7.683 -14.822 1.00 0.00 H new ATOM 0 HG SER A 36 -4.861 -6.489 -14.184 1.00 0.00 H new ATOM 583 N THR A 37 -4.767 -8.360 -18.842 1.00 0.00 N ATOM 584 CA THR A 37 -4.280 -7.801 -20.097 1.00 0.00 C ATOM 585 C THR A 37 -5.311 -7.964 -21.208 1.00 0.00 C ATOM 586 O THR A 37 -5.009 -7.757 -22.382 1.00 0.00 O ATOM 587 CB THR A 37 -2.961 -8.466 -20.534 1.00 0.00 C ATOM 588 OG1 THR A 37 -3.209 -9.808 -20.966 1.00 0.00 O ATOM 589 CG2 THR A 37 -1.955 -8.472 -19.393 1.00 0.00 C ATOM 0 H THR A 37 -4.540 -9.345 -18.702 1.00 0.00 H new ATOM 0 HA THR A 37 -4.103 -6.740 -19.923 1.00 0.00 H new ATOM 0 HB THR A 37 -2.545 -7.890 -21.361 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.520 -10.344 -20.207 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.031 -8.946 -19.725 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.747 -7.447 -19.086 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.365 -9.027 -18.549 1.00 0.00 H new ATOM 597 N ASN A 38 -6.529 -8.337 -20.829 1.00 0.00 N ATOM 598 CA ASN A 38 -7.605 -8.528 -21.794 1.00 0.00 C ATOM 599 C ASN A 38 -8.937 -8.047 -21.227 1.00 0.00 C ATOM 600 O ASN A 38 -9.613 -8.774 -20.498 1.00 0.00 O ATOM 601 CB ASN A 38 -7.709 -10.003 -22.188 1.00 0.00 C ATOM 602 CG ASN A 38 -7.560 -10.214 -23.682 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.710 -10.984 -24.130 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.389 -9.530 -24.462 1.00 0.00 N ATOM 0 H ASN A 38 -6.795 -8.513 -19.860 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.373 -7.937 -22.680 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.940 -10.571 -21.665 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.672 -10.396 -21.863 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.336 -9.632 -25.476 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.078 -8.903 -24.048 1.00 0.00 H new ATOM 611 N LYS A 39 -9.309 -6.818 -21.566 1.00 0.00 N ATOM 612 CA LYS A 39 -10.561 -6.238 -21.093 1.00 0.00 C ATOM 613 C LYS A 39 -11.726 -7.194 -21.329 1.00 0.00 C ATOM 614 O LYS A 39 -12.694 -7.206 -20.569 1.00 0.00 O ATOM 615 CB LYS A 39 -10.828 -4.906 -21.798 1.00 0.00 C ATOM 616 CG LYS A 39 -10.729 -4.989 -23.312 1.00 0.00 C ATOM 617 CD LYS A 39 -10.998 -3.642 -23.962 1.00 0.00 C ATOM 618 CE LYS A 39 -9.740 -2.790 -24.022 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.533 -2.017 -22.766 1.00 0.00 N ATOM 0 H LYS A 39 -8.761 -6.203 -22.167 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.470 -6.062 -20.021 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.823 -4.553 -21.526 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.117 -4.164 -21.436 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.736 -5.339 -23.594 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.443 -5.723 -23.685 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.384 -3.794 -24.970 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.770 -3.114 -23.402 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.876 -3.430 -24.201 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.807 -2.102 -24.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.112 -1.093 -22.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.447 -1.874 -22.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.894 -2.543 -22.136 1.00 0.00 H new ATOM 633 N ASP A 40 -11.625 -7.993 -22.386 1.00 0.00 N ATOM 634 CA ASP A 40 -12.670 -8.954 -22.720 1.00 0.00 C ATOM 635 C ASP A 40 -12.775 -10.036 -21.650 1.00 0.00 C ATOM 636 O ASP A 40 -13.785 -10.139 -20.954 1.00 0.00 O ATOM 637 CB ASP A 40 -12.390 -9.591 -24.082 1.00 0.00 C ATOM 638 CG ASP A 40 -12.265 -8.562 -25.188 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.663 -7.400 -24.964 1.00 0.00 O ATOM 640 OD2 ASP A 40 -11.769 -8.919 -26.277 1.00 0.00 O ATOM 0 H ASP A 40 -10.831 -7.994 -23.026 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.619 -8.420 -22.766 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.470 -10.173 -24.025 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.193 -10.287 -24.326 1.00 0.00 H new ATOM 645 N TRP A 41 -11.726 -10.841 -21.525 1.00 0.00 N ATOM 646 CA TRP A 41 -11.701 -11.917 -20.540 1.00 0.00 C ATOM 647 C TRP A 41 -10.541 -11.737 -19.567 1.00 0.00 C ATOM 648 O TRP A 41 -9.424 -11.414 -19.972 1.00 0.00 O ATOM 649 CB TRP A 41 -11.591 -13.273 -21.239 1.00 0.00 C ATOM 650 CG TRP A 41 -12.648 -13.493 -22.279 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.686 -12.955 -23.534 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.818 -14.307 -22.153 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.811 -13.386 -24.196 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.521 -14.217 -23.370 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.340 -15.105 -21.131 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.718 -14.894 -23.590 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.528 -15.776 -21.351 1.00 0.00 C ATOM 658 CH2 TRP A 41 -16.206 -15.668 -22.573 1.00 0.00 C ATOM 0 H TRP A 41 -10.882 -10.769 -22.093 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.633 -11.882 -19.976 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.609 -13.354 -21.706 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.655 -14.065 -20.493 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.942 -12.289 -23.945 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -14.074 -13.129 -25.147 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.824 -15.196 -20.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -16.243 -14.811 -24.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.941 -16.394 -20.568 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -17.132 -16.206 -22.714 1.00 0.00 H new ATOM 669 N TRP A 42 -10.813 -11.948 -18.285 1.00 0.00 N ATOM 670 CA TRP A 42 -9.791 -11.809 -17.254 1.00 0.00 C ATOM 671 C TRP A 42 -9.495 -13.152 -16.596 1.00 0.00 C ATOM 672 O TRP A 42 -10.398 -13.960 -16.376 1.00 0.00 O ATOM 673 CB TRP A 42 -10.236 -10.797 -16.197 1.00 0.00 C ATOM 674 CG TRP A 42 -10.110 -9.373 -16.648 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.320 -8.900 -17.657 1.00 0.00 C ATOM 676 CD2 TRP A 42 -10.793 -8.238 -16.105 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.471 -7.539 -17.773 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.370 -7.109 -16.833 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.723 -8.066 -15.076 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -10.844 -5.828 -16.563 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.192 -6.794 -14.809 1.00 0.00 C ATOM 682 CH2 TRP A 42 -11.753 -5.689 -15.550 1.00 0.00 C ATOM 0 H TRP A 42 -11.732 -12.216 -17.934 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.879 -11.449 -17.730 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.274 -10.995 -15.929 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.641 -10.939 -15.295 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.672 -9.506 -18.273 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.991 -6.945 -18.449 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.069 -8.912 -14.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.506 -4.975 -17.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.910 -6.649 -14.015 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.140 -4.708 -15.317 1.00 0.00 H new ATOM 693 N LYS A 43 -8.225 -13.386 -16.282 1.00 0.00 N ATOM 694 CA LYS A 43 -7.810 -14.631 -15.647 1.00 0.00 C ATOM 695 C LYS A 43 -7.818 -14.496 -14.128 1.00 0.00 C ATOM 696 O LYS A 43 -7.062 -13.707 -13.561 1.00 0.00 O ATOM 697 CB LYS A 43 -6.413 -15.031 -16.127 1.00 0.00 C ATOM 698 CG LYS A 43 -6.135 -16.520 -16.019 1.00 0.00 C ATOM 699 CD LYS A 43 -4.646 -16.805 -15.923 1.00 0.00 C ATOM 700 CE LYS A 43 -3.936 -16.507 -17.234 1.00 0.00 C ATOM 701 NZ LYS A 43 -2.466 -16.354 -17.047 1.00 0.00 N ATOM 0 H LYS A 43 -7.465 -12.729 -16.457 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.521 -15.408 -15.929 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.293 -14.722 -17.165 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.669 -14.488 -15.545 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.640 -16.922 -15.141 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.549 -17.032 -16.888 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.210 -16.202 -15.127 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.491 -17.850 -15.653 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.130 -17.312 -17.943 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.344 -15.594 -17.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.019 -16.152 -17.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.279 -15.570 -16.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.072 -17.234 -16.656 1.00 0.00 H new ATOM 715 N VAL A 44 -8.676 -15.273 -13.474 1.00 0.00 N ATOM 716 CA VAL A 44 -8.780 -15.242 -12.020 1.00 0.00 C ATOM 717 C VAL A 44 -8.356 -16.573 -11.410 1.00 0.00 C ATOM 718 O VAL A 44 -8.081 -17.535 -12.126 1.00 0.00 O ATOM 719 CB VAL A 44 -10.215 -14.916 -11.567 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.609 -13.514 -12.008 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.192 -15.948 -12.109 1.00 0.00 C ATOM 0 H VAL A 44 -9.309 -15.931 -13.928 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.110 -14.456 -11.672 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.251 -14.952 -10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.626 -13.301 -11.679 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.926 -12.788 -11.567 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.558 -13.447 -13.095 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.201 -15.702 -11.779 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.156 -15.946 -13.198 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.920 -16.936 -11.739 1.00 0.00 H new ATOM 731 N GLU A 45 -8.306 -16.620 -10.082 1.00 0.00 N ATOM 732 CA GLU A 45 -7.915 -17.834 -9.376 1.00 0.00 C ATOM 733 C GLU A 45 -8.929 -18.183 -8.290 1.00 0.00 C ATOM 734 O GLU A 45 -9.399 -17.309 -7.561 1.00 0.00 O ATOM 735 CB GLU A 45 -6.526 -17.666 -8.757 1.00 0.00 C ATOM 736 CG GLU A 45 -5.789 -18.979 -8.548 1.00 0.00 C ATOM 737 CD GLU A 45 -4.345 -18.778 -8.132 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.105 -18.509 -6.936 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.455 -18.888 -9.001 1.00 0.00 O ATOM 0 H GLU A 45 -8.531 -15.832 -9.475 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.887 -18.650 -10.098 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.927 -17.021 -9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.624 -17.158 -7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.305 -19.563 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.820 -19.559 -9.470 1.00 0.00 H new ATOM 746 N VAL A 46 -9.262 -19.465 -8.189 1.00 0.00 N ATOM 747 CA VAL A 46 -10.219 -19.931 -7.193 1.00 0.00 C ATOM 748 C VAL A 46 -9.564 -20.892 -6.208 1.00 0.00 C ATOM 749 O VAL A 46 -8.386 -21.225 -6.338 1.00 0.00 O ATOM 750 CB VAL A 46 -11.422 -20.630 -7.854 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.091 -19.706 -8.859 1.00 0.00 C ATOM 752 CG2 VAL A 46 -10.984 -21.927 -8.518 1.00 0.00 C ATOM 0 H VAL A 46 -8.883 -20.200 -8.785 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.571 -19.050 -6.656 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.150 -20.872 -7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.938 -20.217 -9.315 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.440 -18.807 -8.351 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.374 -19.430 -9.633 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.846 -22.408 -8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.237 -21.711 -9.281 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.555 -22.593 -7.769 1.00 0.00 H new ATOM 940 N GLN A 58 -6.124 -21.820 -11.082 1.00 0.00 N ATOM 941 CA GLN A 58 -6.340 -20.639 -11.909 1.00 0.00 C ATOM 942 C GLN A 58 -7.266 -20.956 -13.079 1.00 0.00 C ATOM 943 O GLN A 58 -7.353 -22.100 -13.522 1.00 0.00 O ATOM 944 CB GLN A 58 -5.005 -20.104 -12.431 1.00 0.00 C ATOM 945 CG GLN A 58 -4.159 -21.157 -13.128 1.00 0.00 C ATOM 946 CD GLN A 58 -3.272 -21.924 -12.167 1.00 0.00 C ATOM 947 OE1 GLN A 58 -3.424 -23.133 -11.995 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.339 -21.222 -11.534 1.00 0.00 N ATOM 0 HA GLN A 58 -6.813 -19.876 -11.291 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.197 -19.286 -13.125 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.439 -19.688 -11.598 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.813 -21.856 -13.649 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.538 -20.677 -13.884 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.249 -20.221 -11.707 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.713 -21.684 -10.875 1.00 0.00 H new ATOM 957 N GLY A 59 -7.957 -19.933 -13.575 1.00 0.00 N ATOM 958 CA GLY A 59 -8.868 -20.124 -14.688 1.00 0.00 C ATOM 959 C GLY A 59 -9.331 -18.812 -15.290 1.00 0.00 C ATOM 960 O GLY A 59 -9.376 -17.789 -14.606 1.00 0.00 O ATOM 0 H GLY A 59 -7.902 -18.976 -13.226 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.377 -20.720 -15.457 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.735 -20.691 -14.350 1.00 0.00 H new ATOM 964 N PHE A 60 -9.675 -18.840 -16.573 1.00 0.00 N ATOM 965 CA PHE A 60 -10.134 -17.643 -17.267 1.00 0.00 C ATOM 966 C PHE A 60 -11.619 -17.402 -17.013 1.00 0.00 C ATOM 967 O PHE A 60 -12.372 -18.336 -16.733 1.00 0.00 O ATOM 968 CB PHE A 60 -9.877 -17.769 -18.770 1.00 0.00 C ATOM 969 CG PHE A 60 -8.485 -17.377 -19.175 1.00 0.00 C ATOM 970 CD1 PHE A 60 -8.169 -16.051 -19.424 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.492 -18.334 -19.307 1.00 0.00 C ATOM 972 CE1 PHE A 60 -6.889 -15.688 -19.797 1.00 0.00 C ATOM 973 CE2 PHE A 60 -6.209 -17.977 -19.679 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.907 -16.652 -19.924 1.00 0.00 C ATOM 0 H PHE A 60 -9.645 -19.678 -17.153 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.574 -16.792 -16.879 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.060 -18.799 -19.077 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.592 -17.145 -19.306 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.932 -15.293 -19.325 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.723 -19.372 -19.117 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.656 -14.651 -19.989 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.444 -18.733 -19.778 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.906 -16.370 -20.214 1.00 0.00 H new ATOM 984 N VAL A 61 -12.034 -16.143 -17.111 1.00 0.00 N ATOM 985 CA VAL A 61 -13.429 -15.779 -16.892 1.00 0.00 C ATOM 986 C VAL A 61 -13.784 -14.494 -17.632 1.00 0.00 C ATOM 987 O VAL A 61 -12.924 -13.669 -17.943 1.00 0.00 O ATOM 988 CB VAL A 61 -13.732 -15.595 -15.393 1.00 0.00 C ATOM 989 CG1 VAL A 61 -13.905 -16.945 -14.714 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.631 -14.788 -14.722 1.00 0.00 C ATOM 0 H VAL A 61 -11.424 -15.358 -17.341 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.035 -16.598 -17.280 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.667 -15.043 -15.294 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.118 -16.795 -13.656 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.732 -17.483 -15.178 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.989 -17.526 -14.821 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.862 -14.668 -13.663 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.680 -15.310 -14.829 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.561 -13.807 -15.192 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.082 -14.318 -17.923 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.581 -13.135 -18.630 1.00 0.00 C ATOM 1002 C PRO A 62 -15.500 -11.873 -17.777 1.00 0.00 C ATOM 1003 O PRO A 62 -16.052 -11.818 -16.679 1.00 0.00 O ATOM 1004 CB PRO A 62 -17.041 -13.488 -18.925 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.411 -14.477 -17.874 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.161 -15.260 -17.583 1.00 0.00 C ATOM 0 HA PRO A 62 -14.993 -12.914 -19.521 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.679 -12.605 -18.880 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -17.152 -13.911 -19.923 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.775 -13.976 -16.977 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.210 -15.133 -18.219 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.113 -15.566 -16.538 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -16.106 -16.168 -18.184 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.808 -10.861 -18.291 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.657 -9.599 -17.577 1.00 0.00 C ATOM 1016 C ALA A 63 -15.994 -8.877 -17.451 1.00 0.00 C ATOM 1017 O ALA A 63 -16.123 -7.919 -16.689 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.640 -8.713 -18.281 1.00 0.00 C ATOM 0 H ALA A 63 -14.343 -10.891 -19.199 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.297 -9.819 -16.572 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.537 -7.774 -17.737 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.676 -9.221 -18.314 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.977 -8.509 -19.297 1.00 0.00 H new ATOM 1024 N ALA A 64 -16.986 -9.342 -18.203 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.313 -8.740 -18.174 1.00 0.00 C ATOM 1026 C ALA A 64 -19.115 -9.238 -16.975 1.00 0.00 C ATOM 1027 O ALA A 64 -20.166 -8.686 -16.647 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.056 -9.037 -19.468 1.00 0.00 C ATOM 0 H ALA A 64 -16.896 -10.134 -18.840 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.194 -7.661 -18.076 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.046 -8.581 -19.432 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.498 -8.627 -20.310 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.157 -10.115 -19.590 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.614 -10.283 -16.327 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.286 -10.856 -15.167 1.00 0.00 C ATOM 1036 C TYR A 65 -18.372 -10.839 -13.945 1.00 0.00 C ATOM 1037 O TYR A 65 -18.388 -11.761 -13.130 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.730 -12.289 -15.465 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.785 -12.384 -16.544 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -21.822 -11.462 -16.611 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -20.744 -13.395 -17.496 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -22.789 -11.546 -17.594 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -21.706 -13.486 -18.483 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.727 -12.559 -18.528 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.687 -12.645 -19.510 1.00 0.00 O ATOM 0 H TYR A 65 -17.745 -10.751 -16.585 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.164 -10.248 -14.950 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.861 -12.875 -15.766 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -20.116 -12.738 -14.550 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -21.873 -10.666 -15.882 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -19.946 -14.122 -17.464 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -23.590 -10.822 -17.631 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -21.659 -14.278 -19.215 1.00 0.00 H new ATOM 0 HH TYR A 65 -23.497 -13.414 -20.087 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.576 -9.781 -13.824 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.657 -9.641 -12.702 1.00 0.00 C ATOM 1057 C VAL A 66 -16.541 -8.185 -12.265 1.00 0.00 C ATOM 1058 O VAL A 66 -16.620 -7.270 -13.085 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.255 -10.172 -13.055 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.338 -11.603 -13.564 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.587 -9.270 -14.081 1.00 0.00 C ATOM 0 H VAL A 66 -17.550 -9.009 -14.490 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.066 -10.232 -11.883 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.646 -10.169 -12.151 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.338 -11.961 -13.808 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.773 -12.239 -12.793 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.963 -11.636 -14.456 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.597 -9.660 -14.319 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.192 -9.239 -14.987 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.492 -8.263 -13.674 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.353 -7.975 -10.966 1.00 0.00 N ATOM 1072 CA LYS A 67 -16.224 -6.630 -10.418 1.00 0.00 C ATOM 1073 C LYS A 67 -15.056 -6.550 -9.442 1.00 0.00 C ATOM 1074 O LYS A 67 -15.078 -7.170 -8.378 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.520 -6.218 -9.715 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.415 -4.896 -8.974 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.185 -3.738 -9.930 1.00 0.00 C ATOM 1078 CE LYS A 67 -18.489 -3.258 -10.549 1.00 0.00 C ATOM 1079 NZ LYS A 67 -18.847 -4.039 -11.765 1.00 0.00 N ATOM 0 H LYS A 67 -16.287 -8.720 -10.273 1.00 0.00 H new ATOM 0 HA LYS A 67 -16.032 -5.945 -11.243 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.318 -6.149 -10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.805 -6.999 -9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -18.328 -4.723 -8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.596 -4.944 -8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.709 -2.914 -9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.499 -4.047 -10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -19.291 -3.340 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.401 -2.203 -10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.216 -3.396 -12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.002 -4.525 -12.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.574 -4.743 -11.524 1.00 0.00 H new ATOM 1093 N LYS A 68 -14.035 -5.782 -9.809 1.00 0.00 N ATOM 1094 CA LYS A 68 -12.858 -5.618 -8.964 1.00 0.00 C ATOM 1095 C LYS A 68 -13.228 -4.969 -7.634 1.00 0.00 C ATOM 1096 O LYS A 68 -13.821 -3.890 -7.602 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.805 -4.771 -9.682 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.426 -4.851 -9.049 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.350 -4.341 -9.993 1.00 0.00 C ATOM 1100 CE LYS A 68 -9.145 -2.841 -9.846 1.00 0.00 C ATOM 1101 NZ LYS A 68 -10.032 -2.068 -10.759 1.00 0.00 N ATOM 0 H LYS A 68 -13.999 -5.263 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.445 -6.607 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.738 -5.093 -10.721 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.132 -3.731 -9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.412 -4.266 -8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.210 -5.883 -8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.412 -4.859 -9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.627 -4.572 -11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.341 -2.547 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.104 -2.594 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.534 -1.217 -11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.288 -2.658 -11.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.895 -1.788 -10.250 1.00 0.00 H new ATOM 1115 N LEU A 69 -12.875 -5.633 -6.539 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.169 -5.120 -5.206 1.00 0.00 C ATOM 1117 C LEU A 69 -12.005 -4.290 -4.673 1.00 0.00 C ATOM 1118 O LEU A 69 -12.132 -3.081 -4.473 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.467 -6.275 -4.248 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.502 -7.294 -4.726 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -14.239 -8.655 -4.101 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -15.910 -6.817 -4.399 1.00 0.00 C ATOM 0 H LEU A 69 -12.385 -6.528 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.047 -4.478 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.535 -6.802 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.809 -5.856 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.415 -7.392 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.985 -9.367 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.245 -9.000 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.298 -8.574 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.634 -7.554 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.010 -6.690 -3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.096 -5.864 -4.895 1.00 0.00 H new ATOM 1134 N ASP A 70 -10.872 -4.945 -4.447 1.00 0.00 N ATOM 1135 CA ASP A 70 -9.684 -4.267 -3.941 1.00 0.00 C ATOM 1136 C ASP A 70 -9.143 -3.279 -4.969 1.00 0.00 C ATOM 1137 O ASP A 70 -9.087 -2.074 -4.718 1.00 0.00 O ATOM 1138 CB ASP A 70 -8.604 -5.287 -3.578 1.00 0.00 C ATOM 1139 CG ASP A 70 -8.902 -6.008 -2.278 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -8.734 -5.391 -1.206 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -9.303 -7.190 -2.333 1.00 0.00 O ATOM 0 H ASP A 70 -10.751 -5.945 -4.606 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.966 -3.714 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.513 -6.017 -4.382 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.642 -4.780 -3.497 1.00 0.00 H new