USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 606 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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.306 K(o=0.64,f=-0.99) USER MOD Set 1.3: A 81 THR OG1 : rot -120:sc= 0.333 USER MOD Set 2.1: A 72 LYS NZ :NH3+ -161:sc= 0.141 (180deg=-2.35!) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0.853 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -107:sc= 0.928 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0034) USER MOD Single : A 24 TYR OH : rot 64:sc= 0.00313 USER MOD Single : A 25 ASN :FLIP amide:sc=-6.31e-05 F(o=-0.95,f=-6.3e-05) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00206 USER MOD Single : A 30 SER OG : rot 78:sc= 1.31 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 141:sc= 1.12 (180deg=-1.13!) USER MOD Single : A 39 SER OG : rot -143:sc= 0.132 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 79:sc= 1.25 USER MOD Single : A 49 ASN : amide:sc= -0.723 K(o=-0.72,f=-2.6!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -121:sc= 0.378 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= -1.2 (180deg=-3.47!) USER MOD Single : A 75 HIS : no HD1:sc= -0.565 K(o=-0.57,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 6 -8.486 9.238 3.646 1.00 0.00 N ATOM 82 CA PRO A 6 -7.135 9.470 4.156 1.00 0.00 C ATOM 83 C PRO A 6 -6.511 8.208 4.742 1.00 0.00 C ATOM 84 O PRO A 6 -7.217 7.268 5.128 1.00 0.00 O ATOM 85 CB PRO A 6 -7.334 10.524 5.246 1.00 0.00 C ATOM 86 CG PRO A 6 -8.747 10.357 5.689 1.00 0.00 C ATOM 87 CD PRO A 6 -9.514 9.880 4.487 1.00 0.00 C ATOM 0 HA PRO A 6 -6.454 9.784 3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.640 10.373 6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.157 11.528 4.861 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.816 9.637 6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.152 11.299 6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.299 9.177 4.766 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.997 10.707 3.967 1.00 0.00 H new ATOM 95 N ILE A 7 -5.187 8.204 4.831 1.00 0.00 N ATOM 96 CA ILE A 7 -4.448 7.038 5.299 1.00 0.00 C ATOM 97 C ILE A 7 -4.821 6.665 6.735 1.00 0.00 C ATOM 98 O ILE A 7 -4.791 5.494 7.102 1.00 0.00 O ATOM 99 CB ILE A 7 -2.918 7.257 5.194 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.166 5.989 5.607 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.480 8.441 6.044 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.513 4.783 4.765 1.00 0.00 C ATOM 0 H ILE A 7 -4.600 9.000 4.584 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.729 6.211 4.647 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.676 7.479 4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.094 6.173 5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.386 5.769 6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.402 8.575 5.954 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.987 9.343 5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.737 8.255 7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.944 3.921 5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.579 4.573 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.266 4.984 3.722 1.00 0.00 H new ATOM 114 N THR A 8 -5.214 7.656 7.528 1.00 0.00 N ATOM 115 CA THR A 8 -5.553 7.429 8.928 1.00 0.00 C ATOM 116 C THR A 8 -6.700 6.421 9.062 1.00 0.00 C ATOM 117 O THR A 8 -6.814 5.734 10.072 1.00 0.00 O ATOM 118 CB THR A 8 -5.918 8.759 9.639 1.00 0.00 C ATOM 119 OG1 THR A 8 -6.097 8.549 11.047 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.180 9.378 9.053 1.00 0.00 C ATOM 0 H THR A 8 -5.306 8.625 7.224 1.00 0.00 H new ATOM 0 HA THR A 8 -4.671 7.012 9.415 1.00 0.00 H new ATOM 0 HB THR A 8 -5.089 9.448 9.479 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.325 9.399 11.478 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.405 10.308 9.575 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.026 9.585 7.994 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.013 8.685 9.170 1.00 0.00 H new ATOM 128 N GLU A 9 -7.521 6.312 8.023 1.00 0.00 N ATOM 129 CA GLU A 9 -8.652 5.399 8.045 1.00 0.00 C ATOM 130 C GLU A 9 -8.343 4.129 7.253 1.00 0.00 C ATOM 131 O GLU A 9 -8.707 3.020 7.661 1.00 0.00 O ATOM 132 CB GLU A 9 -9.891 6.082 7.466 1.00 0.00 C ATOM 133 CG GLU A 9 -10.302 7.338 8.215 1.00 0.00 C ATOM 134 CD GLU A 9 -10.510 7.090 9.695 1.00 0.00 C ATOM 135 OE1 GLU A 9 -11.378 6.264 10.049 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.810 7.720 10.510 1.00 0.00 O ATOM 0 H GLU A 9 -7.423 6.844 7.158 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.845 5.122 9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.701 6.337 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.722 5.376 7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.537 8.103 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.223 7.730 7.783 1.00 0.00 H new ATOM 143 N VAL A 10 -7.657 4.293 6.127 1.00 0.00 N ATOM 144 CA VAL A 10 -7.371 3.171 5.244 1.00 0.00 C ATOM 145 C VAL A 10 -6.338 2.233 5.855 1.00 0.00 C ATOM 146 O VAL A 10 -6.413 1.025 5.661 1.00 0.00 O ATOM 147 CB VAL A 10 -6.893 3.648 3.854 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.486 2.471 2.975 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.984 4.461 3.175 1.00 0.00 C ATOM 0 H VAL A 10 -7.290 5.189 5.806 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.305 2.624 5.116 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.016 4.279 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.155 2.839 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.673 1.924 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.339 1.806 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.636 4.792 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.875 3.845 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.224 5.330 3.787 1.00 0.00 H new ATOM 159 N LEU A 11 -5.396 2.790 6.608 1.00 0.00 N ATOM 160 CA LEU A 11 -4.351 1.996 7.251 1.00 0.00 C ATOM 161 C LEU A 11 -4.941 0.849 8.090 1.00 0.00 C ATOM 162 O LEU A 11 -4.681 -0.321 7.798 1.00 0.00 O ATOM 163 CB LEU A 11 -3.446 2.905 8.098 1.00 0.00 C ATOM 164 CG LEU A 11 -2.625 2.201 9.178 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.675 1.187 8.570 1.00 0.00 C ATOM 166 CD2 LEU A 11 -1.867 3.218 10.015 1.00 0.00 C ATOM 0 H LEU A 11 -5.333 3.792 6.790 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.746 1.534 6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.762 3.429 7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.068 3.662 8.576 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.313 1.661 9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.104 0.702 9.362 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.245 0.437 8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.991 1.692 7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.287 2.701 10.779 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.195 3.788 9.374 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.574 3.896 10.493 1.00 0.00 H new ATOM 178 N PRO A 12 -5.743 1.143 9.137 1.00 0.00 N ATOM 179 CA PRO A 12 -6.346 0.098 9.969 1.00 0.00 C ATOM 180 C PRO A 12 -7.341 -0.772 9.200 1.00 0.00 C ATOM 181 O PRO A 12 -7.475 -1.963 9.480 1.00 0.00 O ATOM 182 CB PRO A 12 -7.057 0.878 11.078 1.00 0.00 C ATOM 183 CG PRO A 12 -7.268 2.238 10.517 1.00 0.00 C ATOM 184 CD PRO A 12 -6.102 2.491 9.613 1.00 0.00 C ATOM 0 HA PRO A 12 -5.595 -0.600 10.339 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.004 0.410 11.345 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.453 0.914 11.985 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.208 2.293 9.968 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.318 2.985 11.310 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.369 3.151 8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.276 2.963 10.145 1.00 0.00 H new ATOM 192 N ARG A 13 -8.029 -0.183 8.225 1.00 0.00 N ATOM 193 CA ARG A 13 -9.035 -0.912 7.462 1.00 0.00 C ATOM 194 C ARG A 13 -8.425 -1.722 6.317 1.00 0.00 C ATOM 195 O ARG A 13 -9.137 -2.423 5.598 1.00 0.00 O ATOM 196 CB ARG A 13 -10.086 0.054 6.922 1.00 0.00 C ATOM 197 CG ARG A 13 -11.004 0.599 8.000 1.00 0.00 C ATOM 198 CD ARG A 13 -12.000 1.598 7.436 1.00 0.00 C ATOM 199 NE ARG A 13 -12.967 2.034 8.445 1.00 0.00 N ATOM 200 CZ ARG A 13 -12.839 3.147 9.164 1.00 0.00 C ATOM 201 NH1 ARG A 13 -11.751 3.895 9.037 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.787 3.497 10.024 1.00 0.00 N ATOM 0 H ARG A 13 -7.909 0.791 7.947 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.506 -1.621 8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.586 0.885 6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.685 -0.455 6.167 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.541 -0.224 8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.409 1.078 8.777 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.465 2.465 7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.530 1.148 6.596 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.788 1.450 8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.014 3.617 8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.652 4.748 9.587 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.616 2.913 10.135 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.687 4.350 10.574 1.00 0.00 H new ATOM 216 N ALA A 14 -7.114 -1.637 6.155 1.00 0.00 N ATOM 217 CA ALA A 14 -6.430 -2.377 5.102 1.00 0.00 C ATOM 218 C ALA A 14 -6.055 -3.775 5.577 1.00 0.00 C ATOM 219 O ALA A 14 -5.836 -4.000 6.768 1.00 0.00 O ATOM 220 CB ALA A 14 -5.188 -1.629 4.640 1.00 0.00 C ATOM 0 H ALA A 14 -6.502 -1.065 6.737 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.114 -2.471 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.692 -2.198 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.475 -0.651 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.506 -1.501 5.481 1.00 0.00 H new ATOM 226 N VAL A 15 -5.993 -4.707 4.640 1.00 0.00 N ATOM 227 CA VAL A 15 -5.627 -6.085 4.941 1.00 0.00 C ATOM 228 C VAL A 15 -4.385 -6.494 4.154 1.00 0.00 C ATOM 229 O VAL A 15 -3.963 -7.648 4.180 1.00 0.00 O ATOM 230 CB VAL A 15 -6.782 -7.060 4.619 1.00 0.00 C ATOM 231 CG1 VAL A 15 -7.954 -6.839 5.564 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.228 -6.907 3.172 1.00 0.00 C ATOM 0 H VAL A 15 -6.193 -4.533 3.655 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.415 -6.139 6.009 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.416 -8.077 4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.755 -7.536 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.630 -7.006 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.318 -5.817 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.042 -7.603 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.572 -5.886 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.390 -7.122 2.508 1.00 0.00 H new ATOM 242 N GLY A 16 -3.803 -5.537 3.452 1.00 0.00 N ATOM 243 CA GLY A 16 -2.616 -5.800 2.676 1.00 0.00 C ATOM 244 C GLY A 16 -1.930 -4.511 2.316 1.00 0.00 C ATOM 245 O GLY A 16 -2.572 -3.463 2.279 1.00 0.00 O ATOM 0 H GLY A 16 -4.137 -4.574 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.936 -6.435 3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.880 -6.345 1.769 1.00 0.00 H new ATOM 249 N SER A 17 -0.636 -4.558 2.081 1.00 0.00 N ATOM 250 CA SER A 17 0.106 -3.355 1.763 1.00 0.00 C ATOM 251 C SER A 17 1.325 -3.681 0.905 1.00 0.00 C ATOM 252 O SER A 17 2.037 -4.653 1.156 1.00 0.00 O ATOM 253 CB SER A 17 0.526 -2.640 3.053 1.00 0.00 C ATOM 254 OG SER A 17 -0.582 -2.425 3.912 1.00 0.00 O ATOM 0 H SER A 17 -0.078 -5.411 2.104 1.00 0.00 H new ATOM 0 HA SER A 17 -0.539 -2.690 1.189 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.279 -3.234 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.988 -1.684 2.807 1.00 0.00 H new ATOM 0 HG SER A 17 -0.820 -1.474 3.907 1.00 0.00 H new ATOM 260 N LEU A 18 1.529 -2.885 -0.131 1.00 0.00 N ATOM 261 CA LEU A 18 2.693 -3.012 -0.988 1.00 0.00 C ATOM 262 C LEU A 18 3.614 -1.817 -0.805 1.00 0.00 C ATOM 263 O LEU A 18 3.218 -0.678 -1.051 1.00 0.00 O ATOM 264 CB LEU A 18 2.275 -3.116 -2.454 1.00 0.00 C ATOM 265 CG LEU A 18 2.018 -4.532 -2.967 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.383 -4.493 -4.347 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.319 -5.315 -3.018 1.00 0.00 C ATOM 0 H LEU A 18 0.893 -2.134 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 18 3.223 -3.922 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.370 -2.526 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.052 -2.662 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 18 1.331 -5.027 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.208 -5.511 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.435 -3.958 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.051 -3.982 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.123 -6.322 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.019 -4.815 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.750 -5.370 -2.018 1.00 0.00 H new ATOM 279 N THR A 19 4.831 -2.077 -0.370 1.00 0.00 N ATOM 280 CA THR A 19 5.805 -1.020 -0.165 1.00 0.00 C ATOM 281 C THR A 19 6.624 -0.798 -1.431 1.00 0.00 C ATOM 282 O THR A 19 7.364 -1.679 -1.869 1.00 0.00 O ATOM 283 CB THR A 19 6.751 -1.349 1.009 1.00 0.00 C ATOM 284 OG1 THR A 19 5.984 -1.666 2.180 1.00 0.00 O ATOM 285 CG2 THR A 19 7.675 -0.177 1.314 1.00 0.00 C ATOM 0 H THR A 19 5.171 -3.013 -0.151 1.00 0.00 H new ATOM 0 HA THR A 19 5.256 -0.110 0.077 1.00 0.00 H new ATOM 0 HB THR A 19 7.360 -2.206 0.722 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.590 -1.876 2.921 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.330 -0.437 2.145 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.277 0.050 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.079 0.696 1.581 1.00 0.00 H new ATOM 293 N PHE A 20 6.465 0.371 -2.026 1.00 0.00 N ATOM 294 CA PHE A 20 7.208 0.747 -3.218 1.00 0.00 C ATOM 295 C PHE A 20 8.214 1.846 -2.895 1.00 0.00 C ATOM 296 O PHE A 20 8.027 2.639 -1.968 1.00 0.00 O ATOM 297 CB PHE A 20 6.259 1.227 -4.325 1.00 0.00 C ATOM 298 CG PHE A 20 5.571 0.130 -5.079 1.00 0.00 C ATOM 299 CD1 PHE A 20 4.561 -0.616 -4.493 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.932 -0.147 -6.386 1.00 0.00 C ATOM 301 CE1 PHE A 20 3.927 -1.618 -5.203 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.301 -1.145 -7.097 1.00 0.00 C ATOM 303 CZ PHE A 20 4.297 -1.882 -6.503 1.00 0.00 C ATOM 0 H PHE A 20 5.817 1.087 -1.697 1.00 0.00 H new ATOM 0 HA PHE A 20 7.742 -0.135 -3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.503 1.874 -3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.824 1.835 -5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.267 -0.413 -3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.718 0.426 -6.855 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.141 -2.194 -4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.592 -1.350 -8.117 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.802 -2.665 -7.057 1.00 0.00 H new ATOM 313 N ASP A 21 9.287 1.878 -3.657 1.00 0.00 N ATOM 314 CA ASP A 21 10.311 2.896 -3.500 1.00 0.00 C ATOM 315 C ASP A 21 9.889 4.182 -4.202 1.00 0.00 C ATOM 316 O ASP A 21 8.906 4.197 -4.939 1.00 0.00 O ATOM 317 CB ASP A 21 11.641 2.379 -4.063 1.00 0.00 C ATOM 318 CG ASP A 21 12.771 3.377 -3.943 1.00 0.00 C ATOM 319 OD1 ASP A 21 13.215 3.654 -2.811 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.211 3.905 -4.986 1.00 0.00 O ATOM 0 H ASP A 21 9.476 1.204 -4.399 1.00 0.00 H new ATOM 0 HA ASP A 21 10.441 3.116 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.917 1.463 -3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.506 2.118 -5.113 1.00 0.00 H new ATOM 325 N GLU A 22 10.633 5.254 -3.968 1.00 0.00 N ATOM 326 CA GLU A 22 10.384 6.529 -4.617 1.00 0.00 C ATOM 327 C GLU A 22 10.599 6.413 -6.124 1.00 0.00 C ATOM 328 O GLU A 22 10.035 7.175 -6.905 1.00 0.00 O ATOM 329 CB GLU A 22 11.300 7.588 -4.012 1.00 0.00 C ATOM 330 CG GLU A 22 12.766 7.185 -4.005 1.00 0.00 C ATOM 331 CD GLU A 22 13.564 7.938 -2.967 1.00 0.00 C ATOM 332 OE1 GLU A 22 13.961 9.088 -3.234 1.00 0.00 O ATOM 333 OE2 GLU A 22 13.788 7.385 -1.873 1.00 0.00 O ATOM 0 H GLU A 22 11.424 5.262 -3.324 1.00 0.00 H new ATOM 0 HA GLU A 22 9.347 6.824 -4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.189 8.517 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.982 7.792 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.845 6.115 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.195 7.366 -4.991 1.00 0.00 H new ATOM 340 N ASN A 23 11.409 5.438 -6.522 1.00 0.00 N ATOM 341 CA ASN A 23 11.619 5.136 -7.928 1.00 0.00 C ATOM 342 C ASN A 23 10.577 4.129 -8.414 1.00 0.00 C ATOM 343 O ASN A 23 10.710 3.551 -9.492 1.00 0.00 O ATOM 344 CB ASN A 23 13.025 4.582 -8.141 1.00 0.00 C ATOM 345 CG ASN A 23 14.113 5.606 -7.879 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.537 6.325 -8.784 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.578 5.677 -6.640 1.00 0.00 N ATOM 0 H ASN A 23 11.933 4.841 -5.883 1.00 0.00 H new ATOM 0 HA ASN A 23 11.512 6.055 -8.504 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.175 3.725 -7.484 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.115 4.219 -9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.313 6.345 -6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.200 5.064 -5.918 1.00 0.00 H new ATOM 354 N TYR A 24 9.551 3.926 -7.586 1.00 0.00 N ATOM 355 CA TYR A 24 8.404 3.075 -7.909 1.00 0.00 C ATOM 356 C TYR A 24 8.793 1.605 -8.075 1.00 0.00 C ATOM 357 O TYR A 24 8.131 0.859 -8.793 1.00 0.00 O ATOM 358 CB TYR A 24 7.693 3.594 -9.163 1.00 0.00 C ATOM 359 CG TYR A 24 7.188 5.012 -9.016 1.00 0.00 C ATOM 360 CD1 TYR A 24 6.033 5.286 -8.298 1.00 0.00 C ATOM 361 CD2 TYR A 24 7.870 6.076 -9.592 1.00 0.00 C ATOM 362 CE1 TYR A 24 5.571 6.581 -8.157 1.00 0.00 C ATOM 363 CE2 TYR A 24 7.414 7.374 -9.456 1.00 0.00 C ATOM 364 CZ TYR A 24 6.263 7.621 -8.739 1.00 0.00 C ATOM 365 OH TYR A 24 5.803 8.913 -8.602 1.00 0.00 O ATOM 0 H TYR A 24 9.492 4.353 -6.661 1.00 0.00 H new ATOM 0 HA TYR A 24 7.718 3.124 -7.064 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.379 3.545 -10.009 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.854 2.938 -9.395 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.486 4.474 -7.842 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.772 5.886 -10.156 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.671 6.777 -7.593 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.957 8.190 -9.909 1.00 0.00 H new ATOM 0 HH TYR A 24 5.834 9.173 -7.658 1.00 0.00 H new ATOM 375 N ASN A 25 9.843 1.185 -7.382 1.00 0.00 N ATOM 376 CA ASN A 25 10.241 -0.222 -7.385 1.00 0.00 C ATOM 377 C ASN A 25 9.673 -0.922 -6.158 1.00 0.00 C ATOM 378 O ASN A 25 9.650 -0.346 -5.074 1.00 0.00 O ATOM 379 CB ASN A 25 11.768 -0.374 -7.395 1.00 0.00 C ATOM 380 CG ASN A 25 12.415 0.193 -8.644 1.00 0.00 C ATOM 381 OD1 ASN A 25 12.920 1.412 -8.549 1.00 0.00 O flip ATOM 382 ND2 ASN A 25 12.492 -0.473 -9.675 1.00 0.00 N flip ATOM 0 H ASN A 25 10.433 1.792 -6.813 1.00 0.00 H new ATOM 0 HA ASN A 25 9.845 -0.679 -8.292 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.182 0.126 -6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.022 -1.430 -7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.090 -1.410 -9.708 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.958 -0.089 -10.497 1.00 0.00 H new ATOM 389 N LEU A 26 9.200 -2.151 -6.331 1.00 0.00 N ATOM 390 CA LEU A 26 8.656 -2.923 -5.228 1.00 0.00 C ATOM 391 C LEU A 26 9.738 -3.245 -4.201 1.00 0.00 C ATOM 392 O LEU A 26 10.787 -3.798 -4.536 1.00 0.00 O ATOM 393 CB LEU A 26 8.015 -4.212 -5.752 1.00 0.00 C ATOM 394 CG LEU A 26 7.453 -5.148 -4.681 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.498 -4.397 -3.767 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.749 -6.332 -5.326 1.00 0.00 C ATOM 0 H LEU A 26 9.184 -2.633 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 26 7.891 -2.324 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.209 -3.945 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.759 -4.757 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 26 8.282 -5.523 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.107 -5.078 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.029 -3.579 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.673 -3.995 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.355 -6.988 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.929 -5.973 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.458 -6.885 -5.943 1.00 0.00 H new ATOM 408 N LEU A 27 9.477 -2.878 -2.957 1.00 0.00 N ATOM 409 CA LEU A 27 10.407 -3.131 -1.869 1.00 0.00 C ATOM 410 C LEU A 27 9.909 -4.276 -0.997 1.00 0.00 C ATOM 411 O LEU A 27 10.623 -5.249 -0.757 1.00 0.00 O ATOM 412 CB LEU A 27 10.571 -1.877 -1.009 1.00 0.00 C ATOM 413 CG LEU A 27 11.079 -0.639 -1.745 1.00 0.00 C ATOM 414 CD1 LEU A 27 11.080 0.565 -0.816 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.473 -0.888 -2.304 1.00 0.00 C ATOM 0 H LEU A 27 8.621 -2.400 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 27 11.370 -3.402 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.609 -1.640 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.260 -2.103 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 27 10.409 -0.429 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.445 1.440 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.066 0.753 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.730 0.367 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.821 0.004 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.156 -1.120 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.442 -1.726 -3.000 1.00 0.00 H new ATOM 427 N ASP A 28 8.673 -4.156 -0.540 1.00 0.00 N ATOM 428 CA ASP A 28 8.102 -5.122 0.387 1.00 0.00 C ATOM 429 C ASP A 28 6.667 -5.453 0.013 1.00 0.00 C ATOM 430 O ASP A 28 5.945 -4.615 -0.525 1.00 0.00 O ATOM 431 CB ASP A 28 8.151 -4.569 1.816 1.00 0.00 C ATOM 432 CG ASP A 28 7.427 -5.454 2.815 1.00 0.00 C ATOM 433 OD1 ASP A 28 8.067 -6.360 3.393 1.00 0.00 O ATOM 434 OD2 ASP A 28 6.218 -5.245 3.034 1.00 0.00 O ATOM 0 H ASP A 28 8.043 -3.396 -0.797 1.00 0.00 H new ATOM 0 HA ASP A 28 8.692 -6.037 0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.191 -4.459 2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.707 -3.574 1.831 1.00 0.00 H new ATOM 439 N THR A 29 6.270 -6.682 0.285 1.00 0.00 N ATOM 440 CA THR A 29 4.908 -7.118 0.068 1.00 0.00 C ATOM 441 C THR A 29 4.346 -7.721 1.354 1.00 0.00 C ATOM 442 O THR A 29 4.857 -8.725 1.848 1.00 0.00 O ATOM 443 CB THR A 29 4.851 -8.157 -1.063 1.00 0.00 C ATOM 444 OG1 THR A 29 5.537 -7.650 -2.215 1.00 0.00 O ATOM 445 CG2 THR A 29 3.415 -8.486 -1.424 1.00 0.00 C ATOM 0 H THR A 29 6.884 -7.404 0.662 1.00 0.00 H new ATOM 0 HA THR A 29 4.306 -6.256 -0.219 1.00 0.00 H new ATOM 0 HB THR A 29 5.336 -9.071 -0.719 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.502 -8.314 -2.935 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.401 -9.223 -2.227 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.904 -8.891 -0.551 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.906 -7.580 -1.755 1.00 0.00 H new ATOM 453 N SER A 30 3.312 -7.098 1.904 1.00 0.00 N ATOM 454 CA SER A 30 2.730 -7.558 3.153 1.00 0.00 C ATOM 455 C SER A 30 1.212 -7.679 3.049 1.00 0.00 C ATOM 456 O SER A 30 0.581 -7.050 2.196 1.00 0.00 O ATOM 457 CB SER A 30 3.109 -6.603 4.286 1.00 0.00 C ATOM 458 OG SER A 30 4.512 -6.582 4.487 1.00 0.00 O ATOM 0 H SER A 30 2.862 -6.275 1.504 1.00 0.00 H new ATOM 0 HA SER A 30 3.128 -8.550 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.757 -5.598 4.052 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.611 -6.909 5.206 1.00 0.00 H new ATOM 0 HG SER A 30 4.934 -6.035 3.792 1.00 0.00 H new ATOM 464 N GLY A 31 0.634 -8.493 3.920 1.00 0.00 N ATOM 465 CA GLY A 31 -0.800 -8.683 3.933 1.00 0.00 C ATOM 466 C GLY A 31 -1.289 -9.478 2.739 1.00 0.00 C ATOM 467 O GLY A 31 -0.532 -10.241 2.138 1.00 0.00 O ATOM 0 H GLY A 31 1.140 -9.030 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.087 -9.197 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.292 -7.711 3.945 1.00 0.00 H new ATOM 471 N VAL A 32 -2.552 -9.281 2.383 1.00 0.00 N ATOM 472 CA VAL A 32 -3.156 -9.974 1.249 1.00 0.00 C ATOM 473 C VAL A 32 -2.438 -9.634 -0.059 1.00 0.00 C ATOM 474 O VAL A 32 -2.522 -10.374 -1.037 1.00 0.00 O ATOM 475 CB VAL A 32 -4.652 -9.619 1.120 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.298 -10.387 -0.019 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.373 -9.901 2.426 1.00 0.00 C ATOM 0 H VAL A 32 -3.183 -8.642 2.867 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.056 -11.043 1.435 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.732 -8.555 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.352 -10.118 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.798 -10.138 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.208 -11.457 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.428 -9.646 2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.278 -10.958 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.932 -9.301 3.222 1.00 0.00 H new ATOM 487 N ALA A 33 -1.695 -8.533 -0.054 1.00 0.00 N ATOM 488 CA ALA A 33 -0.959 -8.094 -1.234 1.00 0.00 C ATOM 489 C ALA A 33 0.036 -9.159 -1.695 1.00 0.00 C ATOM 490 O ALA A 33 0.511 -9.130 -2.831 1.00 0.00 O ATOM 491 CB ALA A 33 -0.238 -6.786 -0.947 1.00 0.00 C ATOM 0 H ALA A 33 -1.586 -7.926 0.758 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.676 -7.935 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.308 -6.469 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.966 -6.021 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.462 -6.929 -0.123 1.00 0.00 H new ATOM 497 N LYS A 34 0.343 -10.104 -0.811 1.00 0.00 N ATOM 498 CA LYS A 34 1.270 -11.176 -1.126 1.00 0.00 C ATOM 499 C LYS A 34 0.649 -12.167 -2.105 1.00 0.00 C ATOM 500 O LYS A 34 1.333 -12.691 -2.980 1.00 0.00 O ATOM 501 CB LYS A 34 1.695 -11.898 0.151 1.00 0.00 C ATOM 502 CG LYS A 34 2.419 -11.005 1.149 1.00 0.00 C ATOM 503 CD LYS A 34 2.849 -11.780 2.384 1.00 0.00 C ATOM 504 CE LYS A 34 1.654 -12.327 3.152 1.00 0.00 C ATOM 505 NZ LYS A 34 2.074 -13.155 4.312 1.00 0.00 N ATOM 0 H LYS A 34 -0.041 -10.145 0.133 1.00 0.00 H new ATOM 0 HA LYS A 34 2.149 -10.736 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.812 -12.321 0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.344 -12.733 -0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.294 -10.562 0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.766 -10.183 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.499 -12.603 2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.434 -11.131 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.037 -11.499 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.036 -12.926 2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.232 -13.509 4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.642 -13.959 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.643 -12.577 4.963 1.00 0.00 H new ATOM 519 N VAL A 35 -0.648 -12.412 -1.963 1.00 0.00 N ATOM 520 CA VAL A 35 -1.335 -13.365 -2.829 1.00 0.00 C ATOM 521 C VAL A 35 -1.951 -12.656 -4.030 1.00 0.00 C ATOM 522 O VAL A 35 -2.288 -13.286 -5.033 1.00 0.00 O ATOM 523 CB VAL A 35 -2.426 -14.153 -2.067 1.00 0.00 C ATOM 524 CG1 VAL A 35 -1.824 -14.880 -0.875 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.560 -13.239 -1.623 1.00 0.00 C ATOM 0 H VAL A 35 -1.242 -11.968 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.587 -14.077 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.844 -14.893 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.606 -15.429 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.061 -15.577 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.373 -14.156 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.311 -13.823 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.167 -12.465 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.016 -12.773 -2.497 1.00 0.00 H new ATOM 535 N ILE A 36 -2.096 -11.342 -3.917 1.00 0.00 N ATOM 536 CA ILE A 36 -2.603 -10.526 -5.007 1.00 0.00 C ATOM 537 C ILE A 36 -1.567 -10.423 -6.124 1.00 0.00 C ATOM 538 O ILE A 36 -0.372 -10.249 -5.865 1.00 0.00 O ATOM 539 CB ILE A 36 -2.991 -9.117 -4.502 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.213 -9.215 -3.584 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.266 -8.170 -5.662 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.547 -7.921 -2.876 1.00 0.00 C ATOM 0 H ILE A 36 -1.867 -10.817 -3.073 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.497 -11.006 -5.405 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.152 -8.710 -3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.075 -9.529 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.036 -9.991 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.536 -7.188 -5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.372 -8.083 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.087 -8.560 -6.264 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.423 -8.068 -2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.702 -7.615 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.757 -7.146 -3.614 1.00 0.00 H new ATOM 554 N GLU A 37 -2.036 -10.555 -7.361 1.00 0.00 N ATOM 555 CA GLU A 37 -1.171 -10.509 -8.531 1.00 0.00 C ATOM 556 C GLU A 37 -0.589 -9.117 -8.737 1.00 0.00 C ATOM 557 O GLU A 37 -1.273 -8.106 -8.568 1.00 0.00 O ATOM 558 CB GLU A 37 -1.939 -10.973 -9.771 1.00 0.00 C ATOM 559 CG GLU A 37 -3.277 -10.275 -9.967 1.00 0.00 C ATOM 560 CD GLU A 37 -4.086 -10.878 -11.094 1.00 0.00 C ATOM 561 OE1 GLU A 37 -4.848 -11.835 -10.839 1.00 0.00 O ATOM 562 OE2 GLU A 37 -3.967 -10.402 -12.245 1.00 0.00 O ATOM 0 H GLU A 37 -3.023 -10.696 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.335 -11.188 -8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.321 -10.805 -10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.108 -12.047 -9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.851 -10.331 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.105 -9.218 -10.172 1.00 0.00 H new ATOM 569 N LYS A 38 0.689 -9.074 -9.091 1.00 0.00 N ATOM 570 CA LYS A 38 1.390 -7.816 -9.270 1.00 0.00 C ATOM 571 C LYS A 38 1.173 -7.275 -10.674 1.00 0.00 C ATOM 572 O LYS A 38 1.883 -7.633 -11.614 1.00 0.00 O ATOM 573 CB LYS A 38 2.891 -7.963 -8.989 1.00 0.00 C ATOM 574 CG LYS A 38 3.265 -7.891 -7.510 1.00 0.00 C ATOM 575 CD LYS A 38 2.578 -8.977 -6.702 1.00 0.00 C ATOM 576 CE LYS A 38 3.149 -9.077 -5.298 1.00 0.00 C ATOM 577 NZ LYS A 38 2.523 -10.184 -4.528 1.00 0.00 N ATOM 0 H LYS A 38 1.261 -9.902 -9.260 1.00 0.00 H new ATOM 0 HA LYS A 38 0.979 -7.108 -8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.232 -8.917 -9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.427 -7.180 -9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.346 -7.987 -7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.991 -6.914 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.509 -8.769 -6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.690 -9.935 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.226 -9.236 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.992 -8.135 -4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.247 -10.659 -3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.783 -9.800 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.101 -10.869 -5.186 1.00 0.00 H new ATOM 591 N SER A 39 0.145 -6.462 -10.815 1.00 0.00 N ATOM 592 CA SER A 39 -0.089 -5.729 -12.047 1.00 0.00 C ATOM 593 C SER A 39 0.808 -4.484 -12.087 1.00 0.00 C ATOM 594 O SER A 39 1.558 -4.239 -11.136 1.00 0.00 O ATOM 595 CB SER A 39 -1.575 -5.361 -12.137 1.00 0.00 C ATOM 596 OG SER A 39 -2.039 -4.783 -10.929 1.00 0.00 O ATOM 0 H SER A 39 -0.548 -6.290 -10.086 1.00 0.00 H new ATOM 0 HA SER A 39 0.163 -6.346 -12.909 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.729 -4.662 -12.959 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.159 -6.253 -12.363 1.00 0.00 H new ATOM 0 HG SER A 39 -2.954 -5.087 -10.751 1.00 0.00 H new ATOM 602 N PRO A 40 0.789 -3.697 -13.186 1.00 0.00 N ATOM 603 CA PRO A 40 1.538 -2.429 -13.276 1.00 0.00 C ATOM 604 C PRO A 40 0.997 -1.356 -12.324 1.00 0.00 C ATOM 605 O PRO A 40 0.663 -0.245 -12.739 1.00 0.00 O ATOM 606 CB PRO A 40 1.349 -1.991 -14.737 1.00 0.00 C ATOM 607 CG PRO A 40 0.877 -3.209 -15.453 1.00 0.00 C ATOM 608 CD PRO A 40 0.088 -3.992 -14.447 1.00 0.00 C ATOM 0 HA PRO A 40 2.582 -2.562 -12.991 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.622 -1.182 -14.815 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.283 -1.622 -15.161 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.261 -2.944 -16.313 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.717 -3.791 -15.830 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.954 -3.675 -14.415 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.090 -5.059 -14.672 1.00 0.00 H new ATOM 616 N ILE A 41 0.939 -1.695 -11.043 1.00 0.00 N ATOM 617 CA ILE A 41 0.445 -0.795 -10.015 1.00 0.00 C ATOM 618 C ILE A 41 1.340 0.431 -9.892 1.00 0.00 C ATOM 619 O ILE A 41 0.858 1.530 -9.633 1.00 0.00 O ATOM 620 CB ILE A 41 0.359 -1.514 -8.651 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.547 -2.743 -8.765 1.00 0.00 C ATOM 622 CG2 ILE A 41 -0.155 -0.571 -7.573 1.00 0.00 C ATOM 623 CD1 ILE A 41 -0.641 -3.559 -7.493 1.00 0.00 C ATOM 0 H ILE A 41 1.235 -2.605 -10.689 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.554 -0.474 -10.309 1.00 0.00 H new ATOM 0 HB ILE A 41 1.360 -1.838 -8.365 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.548 -2.419 -9.051 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.177 -3.381 -9.567 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.207 -1.100 -6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.522 0.278 -7.480 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.149 -0.215 -7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.301 -4.411 -7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.351 -3.916 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.041 -2.938 -6.691 1.00 0.00 H new ATOM 635 N ALA A 42 2.641 0.242 -10.108 1.00 0.00 N ATOM 636 CA ALA A 42 3.605 1.339 -10.026 1.00 0.00 C ATOM 637 C ALA A 42 3.231 2.467 -10.983 1.00 0.00 C ATOM 638 O ALA A 42 3.392 3.649 -10.668 1.00 0.00 O ATOM 639 CB ALA A 42 5.011 0.835 -10.320 1.00 0.00 C ATOM 0 H ALA A 42 3.052 -0.662 -10.341 1.00 0.00 H new ATOM 0 HA ALA A 42 3.582 1.735 -9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.716 1.664 -10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.283 0.070 -9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.043 0.410 -11.323 1.00 0.00 H new ATOM 645 N GLU A 43 2.708 2.087 -12.142 1.00 0.00 N ATOM 646 CA GLU A 43 2.261 3.044 -13.143 1.00 0.00 C ATOM 647 C GLU A 43 1.097 3.872 -12.596 1.00 0.00 C ATOM 648 O GLU A 43 0.999 5.076 -12.831 1.00 0.00 O ATOM 649 CB GLU A 43 1.833 2.300 -14.411 1.00 0.00 C ATOM 650 CG GLU A 43 1.457 3.207 -15.567 1.00 0.00 C ATOM 651 CD GLU A 43 2.620 4.045 -16.052 1.00 0.00 C ATOM 652 OE1 GLU A 43 3.456 3.522 -16.820 1.00 0.00 O ATOM 653 OE2 GLU A 43 2.691 5.234 -15.687 1.00 0.00 O ATOM 0 H GLU A 43 2.583 1.112 -12.413 1.00 0.00 H new ATOM 0 HA GLU A 43 3.082 3.718 -13.386 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.646 1.646 -14.727 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.983 1.661 -14.174 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.082 2.601 -16.392 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.644 3.864 -15.259 1.00 0.00 H new ATOM 660 N ILE A 44 0.232 3.226 -11.838 1.00 0.00 N ATOM 661 CA ILE A 44 -0.921 3.903 -11.274 1.00 0.00 C ATOM 662 C ILE A 44 -0.509 4.680 -10.024 1.00 0.00 C ATOM 663 O ILE A 44 -1.114 5.699 -9.687 1.00 0.00 O ATOM 664 CB ILE A 44 -2.056 2.915 -10.930 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.249 1.898 -12.062 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.355 3.673 -10.681 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.621 2.522 -13.391 1.00 0.00 C ATOM 0 H ILE A 44 0.305 2.237 -11.599 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.301 4.594 -12.027 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.780 2.376 -10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.329 1.327 -12.185 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.027 1.191 -11.773 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.148 2.966 -10.439 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.219 4.364 -9.849 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.628 4.232 -11.576 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.740 1.739 -14.140 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.558 3.069 -13.286 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.833 3.207 -13.704 1.00 0.00 H new ATOM 679 N ILE A 45 0.540 4.209 -9.347 1.00 0.00 N ATOM 680 CA ILE A 45 1.062 4.890 -8.166 1.00 0.00 C ATOM 681 C ILE A 45 1.552 6.286 -8.527 1.00 0.00 C ATOM 682 O ILE A 45 1.241 7.256 -7.834 1.00 0.00 O ATOM 683 CB ILE A 45 2.219 4.111 -7.491 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.733 2.762 -6.960 1.00 0.00 C ATOM 685 CG2 ILE A 45 2.826 4.932 -6.359 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.826 1.946 -6.303 1.00 0.00 C ATOM 0 H ILE A 45 1.043 3.358 -9.598 1.00 0.00 H new ATOM 0 HA ILE A 45 0.236 4.951 -7.457 1.00 0.00 H new ATOM 0 HB ILE A 45 2.986 3.928 -8.244 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.933 2.930 -6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.306 2.188 -7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.637 4.370 -5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.215 5.869 -6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.060 5.145 -5.613 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.412 1.002 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.617 1.747 -7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.237 2.501 -5.460 1.00 0.00 H new ATOM 698 N ARG A 46 2.309 6.382 -9.615 1.00 0.00 N ATOM 699 CA ARG A 46 2.829 7.663 -10.071 1.00 0.00 C ATOM 700 C ARG A 46 1.698 8.568 -10.550 1.00 0.00 C ATOM 701 O ARG A 46 1.696 9.772 -10.277 1.00 0.00 O ATOM 702 CB ARG A 46 3.872 7.463 -11.172 1.00 0.00 C ATOM 703 CG ARG A 46 3.407 6.613 -12.338 1.00 0.00 C ATOM 704 CD ARG A 46 4.536 6.329 -13.315 1.00 0.00 C ATOM 705 NE ARG A 46 5.153 7.554 -13.819 1.00 0.00 N ATOM 706 CZ ARG A 46 5.042 7.979 -15.077 1.00 0.00 C ATOM 707 NH1 ARG A 46 4.296 7.310 -15.946 1.00 0.00 N ATOM 708 NH2 ARG A 46 5.670 9.081 -15.462 1.00 0.00 N ATOM 0 H ARG A 46 2.575 5.587 -10.196 1.00 0.00 H new ATOM 0 HA ARG A 46 3.317 8.152 -9.228 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.174 8.440 -11.550 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.758 7.003 -10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.005 5.672 -11.964 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.596 7.122 -12.858 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.294 5.718 -12.824 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.151 5.747 -14.153 1.00 0.00 H new ATOM 0 HE ARG A 46 5.701 8.117 -13.169 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.804 6.466 -15.652 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.214 7.639 -16.908 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.238 9.604 -14.795 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.585 9.406 -16.425 1.00 0.00 H new ATOM 722 N LYS A 47 0.729 7.982 -11.241 1.00 0.00 N ATOM 723 CA LYS A 47 -0.460 8.716 -11.652 1.00 0.00 C ATOM 724 C LYS A 47 -1.158 9.292 -10.427 1.00 0.00 C ATOM 725 O LYS A 47 -1.419 10.490 -10.351 1.00 0.00 O ATOM 726 CB LYS A 47 -1.417 7.804 -12.423 1.00 0.00 C ATOM 727 CG LYS A 47 -0.874 7.356 -13.768 1.00 0.00 C ATOM 728 CD LYS A 47 -1.827 6.403 -14.466 1.00 0.00 C ATOM 729 CE LYS A 47 -1.336 6.062 -15.861 1.00 0.00 C ATOM 730 NZ LYS A 47 -2.261 5.142 -16.573 1.00 0.00 N ATOM 0 H LYS A 47 0.743 7.003 -11.528 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.158 9.531 -12.310 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.636 6.925 -11.817 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.360 8.328 -12.577 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.702 8.227 -14.400 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.091 6.869 -13.627 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.927 5.490 -13.879 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.818 6.854 -14.526 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.223 6.979 -16.439 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.350 5.603 -15.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.885 4.937 -17.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.350 4.255 -16.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.196 5.589 -16.660 1.00 0.00 H new ATOM 744 N SER A 48 -1.402 8.432 -9.446 1.00 0.00 N ATOM 745 CA SER A 48 -2.076 8.832 -8.222 1.00 0.00 C ATOM 746 C SER A 48 -1.208 9.784 -7.405 1.00 0.00 C ATOM 747 O SER A 48 -1.705 10.519 -6.562 1.00 0.00 O ATOM 748 CB SER A 48 -2.413 7.600 -7.385 1.00 0.00 C ATOM 749 OG SER A 48 -3.124 6.641 -8.144 1.00 0.00 O ATOM 0 H SER A 48 -1.140 7.447 -9.477 1.00 0.00 H new ATOM 0 HA SER A 48 -2.995 9.350 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.494 7.155 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.008 7.896 -6.521 1.00 0.00 H new ATOM 0 HG SER A 48 -2.499 6.146 -8.714 1.00 0.00 H new ATOM 755 N ASN A 49 0.096 9.758 -7.649 1.00 0.00 N ATOM 756 CA ASN A 49 1.021 10.638 -6.948 1.00 0.00 C ATOM 757 C ASN A 49 0.776 12.086 -7.340 1.00 0.00 C ATOM 758 O ASN A 49 0.884 12.988 -6.519 1.00 0.00 O ATOM 759 CB ASN A 49 2.471 10.243 -7.243 1.00 0.00 C ATOM 760 CG ASN A 49 3.477 11.233 -6.687 1.00 0.00 C ATOM 761 OD1 ASN A 49 3.810 11.194 -5.508 1.00 0.00 O ATOM 762 ND2 ASN A 49 3.992 12.099 -7.543 1.00 0.00 N ATOM 0 H ASN A 49 0.537 9.137 -8.327 1.00 0.00 H new ATOM 0 HA ASN A 49 0.848 10.534 -5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.667 9.257 -6.821 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.608 10.161 -8.321 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.695 12.769 -7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.687 12.097 -8.516 1.00 0.00 H new ATOM 769 N ALA A 50 0.434 12.291 -8.601 1.00 0.00 N ATOM 770 CA ALA A 50 0.114 13.626 -9.091 1.00 0.00 C ATOM 771 C ALA A 50 -1.320 14.008 -8.726 1.00 0.00 C ATOM 772 O ALA A 50 -1.642 15.185 -8.553 1.00 0.00 O ATOM 773 CB ALA A 50 0.322 13.702 -10.597 1.00 0.00 C ATOM 0 H ALA A 50 0.370 11.554 -9.304 1.00 0.00 H new ATOM 0 HA ALA A 50 0.787 14.338 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.079 14.705 -10.948 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.362 13.477 -10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.326 12.978 -11.091 1.00 0.00 H new ATOM 779 N GLU A 51 -2.174 12.997 -8.601 1.00 0.00 N ATOM 780 CA GLU A 51 -3.587 13.211 -8.301 1.00 0.00 C ATOM 781 C GLU A 51 -3.806 13.645 -6.853 1.00 0.00 C ATOM 782 O GLU A 51 -4.662 14.486 -6.572 1.00 0.00 O ATOM 783 CB GLU A 51 -4.388 11.932 -8.564 1.00 0.00 C ATOM 784 CG GLU A 51 -4.297 11.421 -9.993 1.00 0.00 C ATOM 785 CD GLU A 51 -4.825 12.411 -11.009 1.00 0.00 C ATOM 786 OE1 GLU A 51 -6.057 12.551 -11.121 1.00 0.00 O ATOM 787 OE2 GLU A 51 -4.010 13.039 -11.718 1.00 0.00 O ATOM 0 H GLU A 51 -1.911 12.017 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.933 14.011 -8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.037 11.152 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.435 12.116 -8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.257 11.190 -10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.857 10.489 -10.076 1.00 0.00 H new ATOM 794 N LEU A 52 -3.037 13.075 -5.936 1.00 0.00 N ATOM 795 CA LEU A 52 -3.273 13.290 -4.515 1.00 0.00 C ATOM 796 C LEU A 52 -1.977 13.476 -3.738 1.00 0.00 C ATOM 797 O LEU A 52 -0.884 13.383 -4.295 1.00 0.00 O ATOM 798 CB LEU A 52 -4.065 12.110 -3.942 1.00 0.00 C ATOM 799 CG LEU A 52 -3.494 10.722 -4.243 1.00 0.00 C ATOM 800 CD1 LEU A 52 -2.276 10.423 -3.385 1.00 0.00 C ATOM 801 CD2 LEU A 52 -4.557 9.666 -4.046 1.00 0.00 C ATOM 0 H LEU A 52 -2.249 12.464 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.847 14.210 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.130 12.230 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.083 12.156 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.173 10.709 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.897 9.430 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.502 11.164 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.555 10.460 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.138 8.683 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.908 9.691 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.393 9.861 -4.718 1.00 0.00 H new ATOM 813 N GLY A 53 -2.118 13.720 -2.443 1.00 0.00 N ATOM 814 CA GLY A 53 -0.972 13.836 -1.573 1.00 0.00 C ATOM 815 C GLY A 53 -1.016 12.838 -0.432 1.00 0.00 C ATOM 816 O GLY A 53 -0.051 12.114 -0.195 1.00 0.00 O ATOM 0 H GLY A 53 -3.018 13.840 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.061 13.683 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.926 14.847 -1.168 1.00 0.00 H new ATOM 820 N ARG A 54 -2.143 12.780 0.273 1.00 0.00 N ATOM 821 CA ARG A 54 -2.256 11.908 1.438 1.00 0.00 C ATOM 822 C ARG A 54 -3.511 11.033 1.371 1.00 0.00 C ATOM 823 O ARG A 54 -3.798 10.271 2.300 1.00 0.00 O ATOM 824 CB ARG A 54 -2.273 12.746 2.719 1.00 0.00 C ATOM 825 CG ARG A 54 -1.767 11.997 3.942 1.00 0.00 C ATOM 826 CD ARG A 54 -0.280 11.700 3.826 1.00 0.00 C ATOM 827 NE ARG A 54 0.514 12.926 3.773 1.00 0.00 N ATOM 828 CZ ARG A 54 1.617 13.077 3.038 1.00 0.00 C ATOM 829 NH1 ARG A 54 2.061 12.080 2.282 1.00 0.00 N ATOM 830 NH2 ARG A 54 2.276 14.226 3.058 1.00 0.00 N ATOM 0 H ARG A 54 -2.982 13.320 0.061 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.389 11.248 1.444 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.662 13.636 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.291 13.087 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.954 12.589 4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.320 11.064 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.038 11.097 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.096 11.108 2.929 1.00 0.00 H new ATOM 0 HE ARG A 54 0.204 13.719 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.558 11.193 2.261 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.905 12.201 1.722 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.940 14.997 3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.119 14.340 2.496 1.00 0.00 H new ATOM 844 N LEU A 55 -4.262 11.146 0.282 1.00 0.00 N ATOM 845 CA LEU A 55 -5.456 10.329 0.094 1.00 0.00 C ATOM 846 C LEU A 55 -5.100 9.011 -0.586 1.00 0.00 C ATOM 847 O LEU A 55 -3.969 8.823 -1.039 1.00 0.00 O ATOM 848 CB LEU A 55 -6.504 11.083 -0.731 1.00 0.00 C ATOM 849 CG LEU A 55 -6.996 12.392 -0.111 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.945 13.110 -1.056 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.675 12.125 1.224 1.00 0.00 C ATOM 0 H LEU A 55 -4.067 11.793 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.878 10.113 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.084 11.299 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.361 10.428 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.133 13.035 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.283 14.038 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.428 13.335 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.805 12.473 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.019 13.067 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.527 11.462 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.966 11.655 1.905 1.00 0.00 H new ATOM 863 N GLY A 56 -6.063 8.101 -0.653 1.00 0.00 N ATOM 864 CA GLY A 56 -5.815 6.804 -1.250 1.00 0.00 C ATOM 865 C GLY A 56 -6.636 6.557 -2.498 1.00 0.00 C ATOM 866 O GLY A 56 -7.787 6.123 -2.419 1.00 0.00 O ATOM 0 H GLY A 56 -7.012 8.238 -0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.756 6.721 -1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.034 6.026 -0.518 1.00 0.00 H new ATOM 870 N TYR A 57 -6.038 6.822 -3.647 1.00 0.00 N ATOM 871 CA TYR A 57 -6.687 6.578 -4.929 1.00 0.00 C ATOM 872 C TYR A 57 -6.681 5.086 -5.223 1.00 0.00 C ATOM 873 O TYR A 57 -5.661 4.418 -5.036 1.00 0.00 O ATOM 874 CB TYR A 57 -5.948 7.338 -6.037 1.00 0.00 C ATOM 875 CG TYR A 57 -6.646 7.346 -7.381 1.00 0.00 C ATOM 876 CD1 TYR A 57 -7.703 8.211 -7.630 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.229 6.508 -8.407 1.00 0.00 C ATOM 878 CE1 TYR A 57 -8.327 8.238 -8.862 1.00 0.00 C ATOM 879 CE2 TYR A 57 -6.849 6.528 -9.641 1.00 0.00 C ATOM 880 CZ TYR A 57 -7.896 7.396 -9.864 1.00 0.00 C ATOM 881 OH TYR A 57 -8.514 7.424 -11.094 1.00 0.00 O ATOM 0 H TYR A 57 -5.097 7.209 -3.721 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.718 6.930 -4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.801 8.369 -5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.958 6.899 -6.161 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.043 8.874 -6.848 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.406 5.829 -8.237 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -9.149 8.916 -9.039 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.515 5.867 -10.427 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.090 6.770 -11.688 1.00 0.00 H new ATOM 891 N SER A 58 -7.817 4.561 -5.655 1.00 0.00 N ATOM 892 CA SER A 58 -7.921 3.149 -5.970 1.00 0.00 C ATOM 893 C SER A 58 -7.096 2.828 -7.212 1.00 0.00 C ATOM 894 O SER A 58 -7.439 3.233 -8.324 1.00 0.00 O ATOM 895 CB SER A 58 -9.385 2.768 -6.180 1.00 0.00 C ATOM 896 OG SER A 58 -10.172 3.165 -5.066 1.00 0.00 O ATOM 0 H SER A 58 -8.677 5.092 -5.795 1.00 0.00 H new ATOM 0 HA SER A 58 -7.529 2.566 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.763 3.242 -7.086 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.468 1.691 -6.325 1.00 0.00 H new ATOM 0 HG SER A 58 -11.107 2.914 -5.220 1.00 0.00 H new ATOM 902 N VAL A 59 -6.001 2.114 -7.008 1.00 0.00 N ATOM 903 CA VAL A 59 -5.109 1.760 -8.097 1.00 0.00 C ATOM 904 C VAL A 59 -5.419 0.363 -8.622 1.00 0.00 C ATOM 905 O VAL A 59 -5.344 0.107 -9.822 1.00 0.00 O ATOM 906 CB VAL A 59 -3.628 1.841 -7.663 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.272 3.262 -7.264 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.333 0.887 -6.515 1.00 0.00 C ATOM 0 H VAL A 59 -5.709 1.768 -6.094 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.273 2.482 -8.897 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.015 1.544 -8.514 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.226 3.304 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.431 3.929 -8.112 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.903 3.576 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.283 0.969 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.958 1.143 -5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.546 -0.135 -6.828 1.00 0.00 H new ATOM 918 N TYR A 60 -5.792 -0.529 -7.719 1.00 0.00 N ATOM 919 CA TYR A 60 -6.080 -1.904 -8.086 1.00 0.00 C ATOM 920 C TYR A 60 -7.385 -2.358 -7.454 1.00 0.00 C ATOM 921 O TYR A 60 -7.446 -2.597 -6.249 1.00 0.00 O ATOM 922 CB TYR A 60 -4.927 -2.819 -7.650 1.00 0.00 C ATOM 923 CG TYR A 60 -5.183 -4.294 -7.880 1.00 0.00 C ATOM 924 CD1 TYR A 60 -4.942 -4.880 -9.116 1.00 0.00 C ATOM 925 CD2 TYR A 60 -5.666 -5.100 -6.857 1.00 0.00 C ATOM 926 CE1 TYR A 60 -5.178 -6.225 -9.325 1.00 0.00 C ATOM 927 CE2 TYR A 60 -5.903 -6.445 -7.059 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.659 -7.003 -8.292 1.00 0.00 C ATOM 929 OH TYR A 60 -5.897 -8.346 -8.495 1.00 0.00 O ATOM 0 H TYR A 60 -5.902 -0.324 -6.726 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.183 -1.963 -9.170 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.025 -2.530 -8.189 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.730 -2.657 -6.590 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.564 -4.275 -9.927 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.860 -4.667 -5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.987 -6.665 -10.292 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.279 -7.057 -6.252 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.840 -8.543 -8.312 1.00 0.00 H new ATOM 939 N GLU A 61 -8.434 -2.442 -8.250 1.00 0.00 N ATOM 940 CA GLU A 61 -9.687 -2.988 -7.766 1.00 0.00 C ATOM 941 C GLU A 61 -9.844 -4.435 -8.209 1.00 0.00 C ATOM 942 O GLU A 61 -9.887 -4.737 -9.402 1.00 0.00 O ATOM 943 CB GLU A 61 -10.885 -2.167 -8.238 1.00 0.00 C ATOM 944 CG GLU A 61 -12.212 -2.738 -7.772 1.00 0.00 C ATOM 945 CD GLU A 61 -13.403 -1.954 -8.264 1.00 0.00 C ATOM 946 OE1 GLU A 61 -13.742 -2.071 -9.460 1.00 0.00 O ATOM 947 OE2 GLU A 61 -14.027 -1.242 -7.455 1.00 0.00 O ATOM 0 H GLU A 61 -8.444 -2.142 -9.225 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.660 -2.945 -6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.786 -1.145 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.879 -2.117 -9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.297 -3.769 -8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.227 -2.763 -6.682 1.00 0.00 H new ATOM 954 N ASP A 62 -9.919 -5.316 -7.235 1.00 0.00 N ATOM 955 CA ASP A 62 -10.173 -6.720 -7.469 1.00 0.00 C ATOM 956 C ASP A 62 -11.552 -7.028 -6.920 1.00 0.00 C ATOM 957 O ASP A 62 -12.105 -6.217 -6.177 1.00 0.00 O ATOM 958 CB ASP A 62 -9.103 -7.569 -6.769 1.00 0.00 C ATOM 959 CG ASP A 62 -9.234 -9.051 -7.050 1.00 0.00 C ATOM 960 OD1 ASP A 62 -8.630 -9.529 -8.038 1.00 0.00 O ATOM 961 OD2 ASP A 62 -9.938 -9.745 -6.290 1.00 0.00 O ATOM 0 H ASP A 62 -9.804 -5.075 -6.250 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.133 -6.953 -8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.116 -7.232 -7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.165 -7.404 -5.693 1.00 0.00 H new ATOM 966 N ALA A 63 -12.116 -8.168 -7.273 1.00 0.00 N ATOM 967 CA ALA A 63 -13.435 -8.529 -6.784 1.00 0.00 C ATOM 968 C ALA A 63 -13.412 -8.759 -5.276 1.00 0.00 C ATOM 969 O ALA A 63 -14.437 -8.653 -4.603 1.00 0.00 O ATOM 970 CB ALA A 63 -13.954 -9.762 -7.503 1.00 0.00 C ATOM 0 H ALA A 63 -11.686 -8.856 -7.892 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.111 -7.699 -6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.943 -10.016 -7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.018 -9.560 -8.572 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.274 -10.596 -7.331 1.00 0.00 H new ATOM 976 N GLN A 64 -12.237 -9.063 -4.749 1.00 0.00 N ATOM 977 CA GLN A 64 -12.083 -9.286 -3.321 1.00 0.00 C ATOM 978 C GLN A 64 -11.659 -8.006 -2.599 1.00 0.00 C ATOM 979 O GLN A 64 -12.266 -7.612 -1.603 1.00 0.00 O ATOM 980 CB GLN A 64 -11.043 -10.370 -3.067 1.00 0.00 C ATOM 981 CG GLN A 64 -11.315 -11.682 -3.773 1.00 0.00 C ATOM 982 CD GLN A 64 -10.178 -12.662 -3.584 1.00 0.00 C ATOM 983 OE1 GLN A 64 -10.176 -13.462 -2.649 1.00 0.00 O ATOM 984 NE2 GLN A 64 -9.185 -12.582 -4.452 1.00 0.00 N ATOM 0 H GLN A 64 -11.377 -9.161 -5.288 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.051 -9.602 -2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.067 -9.999 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.984 -10.555 -1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.238 -12.117 -3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.465 -11.499 -4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.226 -11.904 -5.213 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.377 -13.198 -4.361 1.00 0.00 H new ATOM 993 N TYR A 65 -10.616 -7.353 -3.110 1.00 0.00 N ATOM 994 CA TYR A 65 -9.986 -6.241 -2.397 1.00 0.00 C ATOM 995 C TYR A 65 -9.734 -5.057 -3.324 1.00 0.00 C ATOM 996 O TYR A 65 -9.747 -5.199 -4.543 1.00 0.00 O ATOM 997 CB TYR A 65 -8.655 -6.693 -1.775 1.00 0.00 C ATOM 998 CG TYR A 65 -8.743 -8.003 -1.023 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.230 -8.055 0.276 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.349 -9.190 -1.623 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.323 -9.257 0.955 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.437 -10.392 -0.952 1.00 0.00 C ATOM 1003 CZ TYR A 65 -8.926 -10.422 0.334 1.00 0.00 C ATOM 1004 OH TYR A 65 -9.016 -11.622 1.002 1.00 0.00 O ATOM 0 H TYR A 65 -10.191 -7.573 -4.011 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.671 -5.925 -1.610 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.910 -6.788 -2.565 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.301 -5.918 -1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.541 -7.143 0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.967 -9.173 -2.633 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.704 -9.282 1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.123 -11.306 -1.434 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.697 -12.344 0.422 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.505 -3.889 -2.737 1.00 0.00 N ATOM 1015 CA ILE A 66 -9.194 -2.687 -3.495 1.00 0.00 C ATOM 1016 C ILE A 66 -7.960 -2.009 -2.917 1.00 0.00 C ATOM 1017 O ILE A 66 -7.926 -1.664 -1.732 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.361 -1.679 -3.489 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.622 -2.318 -4.069 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.984 -0.432 -4.278 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.837 -1.413 -4.034 1.00 0.00 C ATOM 0 H ILE A 66 -9.530 -3.750 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 66 -9.012 -2.997 -4.524 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.566 -1.390 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.428 -2.611 -5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.844 -3.230 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.816 0.272 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.109 0.034 -3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.757 -0.708 -5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.692 -1.936 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.058 -1.140 -3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.636 -0.511 -4.613 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.959 -1.826 -3.758 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.727 -1.195 -3.335 1.00 0.00 C ATOM 1035 C GLY A 67 -5.736 0.297 -3.581 1.00 0.00 C ATOM 1036 O GLY A 67 -6.272 0.765 -4.585 1.00 0.00 O ATOM 0 H GLY A 67 -6.977 -2.106 -4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.569 -1.386 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.889 -1.644 -3.868 1.00 0.00 H new ATOM 1040 N HIS A 68 -5.146 1.042 -2.662 1.00 0.00 N ATOM 1041 CA HIS A 68 -5.096 2.497 -2.754 1.00 0.00 C ATOM 1042 C HIS A 68 -3.652 2.961 -2.599 1.00 0.00 C ATOM 1043 O HIS A 68 -2.975 2.560 -1.654 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.953 3.149 -1.657 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.341 2.591 -1.523 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.426 3.064 -2.231 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.817 1.597 -0.734 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.506 2.385 -1.882 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -9.162 1.488 -0.976 1.00 0.00 N ATOM 0 H HIS A 68 -4.689 0.661 -1.834 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.489 2.795 -3.726 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.439 3.039 -0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.025 4.218 -1.859 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.400 3.819 -2.916 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.242 1.000 -0.041 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.501 2.538 -2.272 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.179 3.792 -3.519 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.803 4.278 -3.450 1.00 0.00 C ATOM 1060 C ALA A 69 -1.689 5.483 -2.532 1.00 0.00 C ATOM 1061 O ALA A 69 -2.334 6.509 -2.754 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.285 4.649 -4.828 1.00 0.00 C ATOM 0 H ALA A 69 -3.717 4.141 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.198 3.466 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.259 5.007 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.313 3.772 -5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.911 5.434 -5.253 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.825 5.370 -1.539 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.584 6.454 -0.606 1.00 0.00 C ATOM 1070 C PHE A 70 0.848 6.937 -0.707 1.00 0.00 C ATOM 1071 O PHE A 70 1.773 6.147 -0.904 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.860 6.008 0.828 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.315 5.859 1.145 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.968 4.660 0.925 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -3.026 6.920 1.672 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -4.305 4.523 1.224 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.363 6.790 1.973 1.00 0.00 C ATOM 1078 CZ PHE A 70 -5.004 5.591 1.750 1.00 0.00 C ATOM 0 H PHE A 70 -0.275 4.530 -1.358 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.260 7.268 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.360 5.056 1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.420 6.732 1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.424 3.822 0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.527 7.861 1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.806 3.582 1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.909 7.627 2.383 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.053 5.487 1.987 1.00 0.00 H new ATOM 1088 N LYS A 71 1.018 8.240 -0.599 1.00 0.00 N ATOM 1089 CA LYS A 71 2.341 8.825 -0.510 1.00 0.00 C ATOM 1090 C LYS A 71 2.813 8.793 0.936 1.00 0.00 C ATOM 1091 O LYS A 71 2.129 9.292 1.833 1.00 0.00 O ATOM 1092 CB LYS A 71 2.344 10.265 -1.030 1.00 0.00 C ATOM 1093 CG LYS A 71 2.534 10.404 -2.536 1.00 0.00 C ATOM 1094 CD LYS A 71 1.277 10.049 -3.322 1.00 0.00 C ATOM 1095 CE LYS A 71 1.245 8.580 -3.718 1.00 0.00 C ATOM 1096 NZ LYS A 71 -0.019 8.218 -4.414 1.00 0.00 N ATOM 0 H LYS A 71 0.254 8.915 -0.571 1.00 0.00 H new ATOM 0 HA LYS A 71 3.020 8.242 -1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.402 10.738 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.138 10.816 -0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.826 11.428 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.352 9.759 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.397 10.281 -2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.224 10.667 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.092 8.361 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.358 7.962 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.160 7.433 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.730 7.926 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.372 9.041 -4.943 1.00 0.00 H new ATOM 1110 N LYS A 72 3.964 8.184 1.158 1.00 0.00 N ATOM 1111 CA LYS A 72 4.530 8.070 2.493 1.00 0.00 C ATOM 1112 C LYS A 72 5.823 8.873 2.570 1.00 0.00 C ATOM 1113 O LYS A 72 6.200 9.536 1.602 1.00 0.00 O ATOM 1114 CB LYS A 72 4.798 6.602 2.839 1.00 0.00 C ATOM 1115 CG LYS A 72 3.573 5.706 2.714 1.00 0.00 C ATOM 1116 CD LYS A 72 2.459 6.119 3.665 1.00 0.00 C ATOM 1117 CE LYS A 72 2.849 5.890 5.116 1.00 0.00 C ATOM 1118 NZ LYS A 72 3.003 4.448 5.441 1.00 0.00 N ATOM 0 H LYS A 72 4.530 7.757 0.425 1.00 0.00 H new ATOM 0 HA LYS A 72 3.816 8.467 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.583 6.222 2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.177 6.543 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.204 5.739 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.858 4.674 2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.222 7.172 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.556 5.553 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.785 6.408 5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.091 6.327 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.948 4.317 6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.244 3.906 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.925 4.111 5.098 1.00 0.00 H new ATOM 1132 N ALA A 73 6.498 8.803 3.711 1.00 0.00 N ATOM 1133 CA ALA A 73 7.723 9.566 3.927 1.00 0.00 C ATOM 1134 C ALA A 73 8.833 9.142 2.968 1.00 0.00 C ATOM 1135 O ALA A 73 9.556 8.176 3.221 1.00 0.00 O ATOM 1136 CB ALA A 73 8.182 9.421 5.368 1.00 0.00 C ATOM 0 H ALA A 73 6.218 8.225 4.503 1.00 0.00 H new ATOM 0 HA ALA A 73 7.501 10.614 3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.097 9.994 5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.406 9.794 6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.373 8.370 5.585 1.00 0.00 H new ATOM 1142 N GLY A 74 8.942 9.859 1.857 1.00 0.00 N ATOM 1143 CA GLY A 74 9.975 9.590 0.877 1.00 0.00 C ATOM 1144 C GLY A 74 9.707 8.347 0.046 1.00 0.00 C ATOM 1145 O GLY A 74 10.501 8.002 -0.826 1.00 0.00 O ATOM 0 H GLY A 74 8.323 10.633 1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.068 10.449 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.931 9.477 1.389 1.00 0.00 H new ATOM 1149 N HIS A 75 8.583 7.684 0.297 1.00 0.00 N ATOM 1150 CA HIS A 75 8.282 6.406 -0.347 1.00 0.00 C ATOM 1151 C HIS A 75 6.801 6.290 -0.687 1.00 0.00 C ATOM 1152 O HIS A 75 6.001 7.148 -0.324 1.00 0.00 O ATOM 1153 CB HIS A 75 8.713 5.232 0.541 1.00 0.00 C ATOM 1154 CG HIS A 75 10.142 4.815 0.344 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.827 4.027 1.238 1.00 0.00 N ATOM 1156 CD2 HIS A 75 11.005 5.060 -0.671 1.00 0.00 C ATOM 1157 CE1 HIS A 75 12.049 3.805 0.783 1.00 0.00 C ATOM 1158 NE2 HIS A 75 12.181 4.421 -0.376 1.00 0.00 N ATOM 0 H HIS A 75 7.863 8.009 0.942 1.00 0.00 H new ATOM 0 HA HIS A 75 8.849 6.368 -1.277 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.565 5.505 1.586 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.065 4.379 0.340 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.803 5.651 -1.552 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.810 3.219 1.277 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.020 4.422 -0.957 1.00 0.00 H new ATOM 1167 N PHE A 76 6.446 5.226 -1.392 1.00 0.00 N ATOM 1168 CA PHE A 76 5.078 5.016 -1.841 1.00 0.00 C ATOM 1169 C PHE A 76 4.565 3.674 -1.348 1.00 0.00 C ATOM 1170 O PHE A 76 5.250 2.672 -1.477 1.00 0.00 O ATOM 1171 CB PHE A 76 5.025 5.059 -3.368 1.00 0.00 C ATOM 1172 CG PHE A 76 5.485 6.367 -3.946 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.677 7.489 -3.883 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.728 6.477 -4.546 1.00 0.00 C ATOM 1175 CE1 PHE A 76 5.097 8.692 -4.410 1.00 0.00 C ATOM 1176 CE2 PHE A 76 7.155 7.679 -5.076 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.337 8.790 -5.008 1.00 0.00 C ATOM 0 H PHE A 76 7.094 4.488 -1.668 1.00 0.00 H new ATOM 0 HA PHE A 76 4.447 5.806 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.644 4.256 -3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.003 4.866 -3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.706 7.421 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.372 5.612 -4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.455 9.559 -4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.126 7.750 -5.543 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.667 9.732 -5.421 1.00 0.00 H new ATOM 1187 N ILE A 77 3.376 3.644 -0.767 1.00 0.00 N ATOM 1188 CA ILE A 77 2.815 2.391 -0.288 1.00 0.00 C ATOM 1189 C ILE A 77 1.362 2.248 -0.719 1.00 0.00 C ATOM 1190 O ILE A 77 0.581 3.196 -0.634 1.00 0.00 O ATOM 1191 CB ILE A 77 2.921 2.269 1.247 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.387 2.320 1.684 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.272 0.976 1.733 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.594 2.136 3.171 1.00 0.00 C ATOM 0 H ILE A 77 2.787 4.463 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 77 3.399 1.586 -0.734 1.00 0.00 H new ATOM 0 HB ILE A 77 2.390 3.110 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.941 1.546 1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.811 3.278 1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.358 0.911 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.219 0.969 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.775 0.123 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.659 2.185 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.071 2.925 3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.202 1.166 3.476 1.00 0.00 H new ATOM 1206 N VAL A 78 1.015 1.066 -1.200 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.344 0.777 -1.632 1.00 0.00 C ATOM 1208 C VAL A 78 -1.055 -0.093 -0.605 1.00 0.00 C ATOM 1209 O VAL A 78 -0.660 -1.234 -0.364 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.362 0.065 -3.000 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.788 -0.231 -3.439 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.356 0.902 -4.044 1.00 0.00 C ATOM 0 H VAL A 78 1.662 0.284 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.864 1.730 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 78 0.164 -0.884 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.774 -0.733 -4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.269 -0.875 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.344 0.703 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.334 0.385 -5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.141 1.867 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.391 1.055 -3.738 1.00 0.00 H new ATOM 1222 N TYR A 79 -2.096 0.447 0.002 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.845 -0.274 1.012 1.00 0.00 C ATOM 1224 C TYR A 79 -4.085 -0.920 0.404 1.00 0.00 C ATOM 1225 O TYR A 79 -4.930 -0.244 -0.186 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.234 0.673 2.143 1.00 0.00 C ATOM 1227 CG TYR A 79 -2.058 1.151 2.967 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.293 2.236 2.561 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.716 0.516 4.154 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.221 2.676 3.313 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.646 0.952 4.914 1.00 0.00 C ATOM 1232 CZ TYR A 79 0.096 2.032 4.489 1.00 0.00 C ATOM 1233 OH TYR A 79 1.164 2.467 5.241 1.00 0.00 O ATOM 0 H TYR A 79 -2.442 1.387 -0.189 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.215 -1.067 1.416 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.746 1.538 1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.945 0.170 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.540 2.745 1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.295 -0.332 4.489 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.365 3.520 2.981 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.394 0.449 5.836 1.00 0.00 H new ATOM 0 HH TYR A 79 1.252 1.906 6.040 1.00 0.00 H new ATOM 1243 N PHE A 80 -4.172 -2.235 0.541 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.277 -3.003 0.002 1.00 0.00 C ATOM 1245 C PHE A 80 -6.337 -3.234 1.064 1.00 0.00 C ATOM 1246 O PHE A 80 -6.070 -3.838 2.101 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.772 -4.346 -0.525 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.876 -4.227 -1.725 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.517 -4.014 -1.572 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.396 -4.330 -3.004 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.692 -3.904 -2.674 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.576 -4.220 -4.111 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.223 -4.008 -3.945 1.00 0.00 C ATOM 0 H PHE A 80 -3.476 -2.797 1.030 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.722 -2.438 -0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.232 -4.858 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.628 -4.970 -0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.097 -3.933 -0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.454 -4.498 -3.138 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.633 -3.737 -2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.993 -4.300 -5.104 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.579 -3.923 -4.808 1.00 0.00 H new ATOM 1263 N THR A 81 -7.533 -2.744 0.805 1.00 0.00 N ATOM 1264 CA THR A 81 -8.644 -2.898 1.728 1.00 0.00 C ATOM 1265 C THR A 81 -9.648 -3.906 1.176 1.00 0.00 C ATOM 1266 O THR A 81 -9.723 -4.093 -0.037 1.00 0.00 O ATOM 1267 CB THR A 81 -9.346 -1.545 1.961 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.780 -0.996 0.705 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.415 -0.558 2.651 1.00 0.00 C ATOM 0 H THR A 81 -7.763 -2.230 -0.046 1.00 0.00 H new ATOM 0 HA THR A 81 -8.253 -3.261 2.678 1.00 0.00 H new ATOM 0 HB THR A 81 -10.208 -1.717 2.605 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.347 -0.129 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.935 0.388 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.107 -0.962 3.615 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.535 -0.392 2.029 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.422 -4.577 2.044 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.454 -5.532 1.613 1.00 0.00 C ATOM 1279 C PRO A 82 -12.655 -4.835 0.967 1.00 0.00 C ATOM 1280 O PRO A 82 -13.775 -4.892 1.479 1.00 0.00 O ATOM 1281 CB PRO A 82 -11.861 -6.227 2.915 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.545 -5.243 3.989 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.343 -4.472 3.513 1.00 0.00 C ATOM 0 HA PRO A 82 -11.086 -6.219 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.921 -6.482 2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.310 -7.157 3.056 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.389 -4.577 4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.334 -5.749 4.931 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.376 -3.434 3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.416 -4.898 3.896 1.00 0.00 H new