USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 36:sc= 0.277 USER MOD Single : A 8 GLN : amide:sc= 0.44 X(o=0.44,f=-0.058) USER MOD Single : A 15 GLN : amide:sc= 0.833 K(o=0.83,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.18 K(o=-1.2,f=-3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00604 X(o=-0.006,f=0) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc=-0.00456 (180deg=-0.141) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -25:sc= 0.196 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0969) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 22:sc= 1.1 USER MOD Single : A 75 TYR OH : rot 56:sc= -0.395 USER MOD Single : A 80 ASN : amide:sc= -0.0624 K(o=-0.062,f=-1.3) USER MOD Single : A 81 THR OG1 : rot 63:sc= 1.28 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.017 (180deg=-0.195) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.016 -6.417 1.291 1.00 0.00 N ATOM 83 CA THR A 6 9.697 -7.111 2.537 1.00 0.00 C ATOM 84 C THR A 6 10.839 -8.053 2.911 1.00 0.00 C ATOM 85 O THR A 6 11.770 -8.236 2.130 1.00 0.00 O ATOM 86 CB THR A 6 8.377 -7.870 2.354 1.00 0.00 C ATOM 87 OG1 THR A 6 7.392 -7.005 1.828 1.00 0.00 O ATOM 88 CG2 THR A 6 7.851 -8.435 3.672 1.00 0.00 C ATOM 0 HA THR A 6 9.579 -6.397 3.352 1.00 0.00 H new ATOM 0 HB THR A 6 8.580 -8.695 1.671 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.808 -6.382 1.196 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.915 -8.964 3.493 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.584 -9.125 4.090 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.679 -7.620 4.374 1.00 0.00 H new ATOM 96 N ASP A 7 10.784 -8.660 4.099 1.00 0.00 N ATOM 97 CA ASP A 7 11.817 -9.575 4.572 1.00 0.00 C ATOM 98 C ASP A 7 12.066 -10.722 3.590 1.00 0.00 C ATOM 99 O ASP A 7 13.094 -11.386 3.669 1.00 0.00 O ATOM 100 CB ASP A 7 11.411 -10.122 5.942 1.00 0.00 C ATOM 101 CG ASP A 7 10.090 -10.885 5.896 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.112 -12.057 5.452 1.00 0.00 O ATOM 103 OD2 ASP A 7 9.067 -10.288 6.303 1.00 0.00 O ATOM 0 H ASP A 7 10.018 -8.528 4.759 1.00 0.00 H new ATOM 0 HA ASP A 7 12.752 -9.021 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.195 -10.781 6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.326 -9.297 6.649 1.00 0.00 H new ATOM 108 N GLN A 8 11.137 -10.960 2.661 1.00 0.00 N ATOM 109 CA GLN A 8 11.293 -11.988 1.647 1.00 0.00 C ATOM 110 C GLN A 8 12.428 -11.619 0.690 1.00 0.00 C ATOM 111 O GLN A 8 13.326 -12.421 0.446 1.00 0.00 O ATOM 112 CB GLN A 8 9.968 -12.134 0.887 1.00 0.00 C ATOM 113 CG GLN A 8 10.079 -13.125 -0.277 1.00 0.00 C ATOM 114 CD GLN A 8 10.448 -14.527 0.195 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.574 -15.356 0.447 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.743 -14.806 0.321 1.00 0.00 N ATOM 0 H GLN A 8 10.260 -10.443 2.596 1.00 0.00 H new ATOM 0 HA GLN A 8 11.548 -12.938 2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.191 -12.468 1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.660 -11.160 0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.130 -13.162 -0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.830 -12.771 -0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.441 -14.095 0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.037 -15.731 0.635 1.00 0.00 H new ATOM 125 N VAL A 9 12.384 -10.399 0.155 1.00 0.00 N ATOM 126 CA VAL A 9 13.359 -9.930 -0.818 1.00 0.00 C ATOM 127 C VAL A 9 14.591 -9.360 -0.120 1.00 0.00 C ATOM 128 O VAL A 9 15.679 -9.367 -0.689 1.00 0.00 O ATOM 129 CB VAL A 9 12.688 -8.917 -1.756 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.912 -7.856 -0.977 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.714 -8.217 -2.645 1.00 0.00 C ATOM 0 H VAL A 9 11.668 -9.710 0.387 1.00 0.00 H new ATOM 0 HA VAL A 9 13.712 -10.765 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 9 11.995 -9.485 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.451 -7.157 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.137 -8.337 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.594 -7.316 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.206 -7.506 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.434 -7.687 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.235 -8.958 -3.252 1.00 0.00 H new ATOM 141 N LEU A 10 14.436 -8.871 1.112 1.00 0.00 N ATOM 142 CA LEU A 10 15.559 -8.358 1.882 1.00 0.00 C ATOM 143 C LEU A 10 16.496 -9.499 2.275 1.00 0.00 C ATOM 144 O LEU A 10 17.694 -9.269 2.421 1.00 0.00 O ATOM 145 CB LEU A 10 15.034 -7.624 3.116 1.00 0.00 C ATOM 146 CG LEU A 10 14.932 -6.117 2.875 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.058 -5.774 1.670 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.345 -5.453 4.115 1.00 0.00 C ATOM 0 H LEU A 10 13.539 -8.822 1.595 1.00 0.00 H new ATOM 0 HA LEU A 10 16.129 -7.655 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.053 -8.017 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.695 -7.814 3.961 1.00 0.00 H new ATOM 0 HG LEU A 10 15.938 -5.750 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.020 -4.692 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.480 -6.229 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.050 -6.156 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.269 -4.378 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.353 -5.861 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.992 -5.644 4.971 1.00 0.00 H new ATOM 160 N VAL A 11 15.981 -10.722 2.442 1.00 0.00 N ATOM 161 CA VAL A 11 16.835 -11.858 2.766 1.00 0.00 C ATOM 162 C VAL A 11 17.465 -12.421 1.496 1.00 0.00 C ATOM 163 O VAL A 11 18.559 -12.978 1.545 1.00 0.00 O ATOM 164 CB VAL A 11 16.049 -12.921 3.536 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.870 -14.198 3.693 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.733 -12.406 4.940 1.00 0.00 C ATOM 0 H VAL A 11 14.989 -10.944 2.358 1.00 0.00 H new ATOM 0 HA VAL A 11 17.644 -11.523 3.416 1.00 0.00 H new ATOM 0 HB VAL A 11 15.137 -13.131 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.290 -14.938 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.121 -14.593 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.787 -13.976 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.173 -13.164 5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.663 -12.191 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.137 -11.496 4.868 1.00 0.00 H new ATOM 176 N GLU A 12 16.800 -12.286 0.347 1.00 0.00 N ATOM 177 CA GLU A 12 17.396 -12.720 -0.908 1.00 0.00 C ATOM 178 C GLU A 12 18.522 -11.770 -1.316 1.00 0.00 C ATOM 179 O GLU A 12 19.524 -12.203 -1.888 1.00 0.00 O ATOM 180 CB GLU A 12 16.328 -12.745 -2.000 1.00 0.00 C ATOM 181 CG GLU A 12 15.366 -13.916 -1.804 1.00 0.00 C ATOM 182 CD GLU A 12 14.325 -13.953 -2.920 1.00 0.00 C ATOM 183 OE1 GLU A 12 14.710 -14.295 -4.059 1.00 0.00 O ATOM 184 OE2 GLU A 12 13.150 -13.638 -2.628 1.00 0.00 O ATOM 0 H GLU A 12 15.865 -11.886 0.264 1.00 0.00 H new ATOM 0 HA GLU A 12 17.808 -13.720 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.771 -11.808 -1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.805 -12.822 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.924 -14.852 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.868 -13.826 -0.839 1.00 0.00 H new ATOM 191 N ARG A 13 18.364 -10.475 -1.026 1.00 0.00 N ATOM 192 CA ARG A 13 19.324 -9.464 -1.429 1.00 0.00 C ATOM 193 C ARG A 13 20.630 -9.580 -0.641 1.00 0.00 C ATOM 194 O ARG A 13 21.701 -9.373 -1.203 1.00 0.00 O ATOM 195 CB ARG A 13 18.657 -8.098 -1.272 1.00 0.00 C ATOM 196 CG ARG A 13 19.578 -6.961 -1.712 1.00 0.00 C ATOM 197 CD ARG A 13 18.787 -5.657 -1.815 1.00 0.00 C ATOM 198 NE ARG A 13 17.793 -5.714 -2.895 1.00 0.00 N ATOM 199 CZ ARG A 13 16.924 -4.737 -3.164 1.00 0.00 C ATOM 200 NH1 ARG A 13 16.910 -3.613 -2.448 1.00 0.00 N ATOM 201 NH2 ARG A 13 16.057 -4.879 -4.162 1.00 0.00 N ATOM 0 H ARG A 13 17.567 -10.107 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 13 19.608 -9.605 -2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.740 -8.072 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.371 -7.951 -0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.394 -6.846 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.029 -7.199 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.286 -5.459 -0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.472 -4.828 -1.993 1.00 0.00 H new ATOM 0 HE ARG A 13 17.765 -6.552 -3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.570 -3.489 -1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.239 -2.877 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.057 -5.733 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.392 -4.134 -4.370 1.00 0.00 H new ATOM 215 N VAL A 14 20.559 -9.913 0.650 1.00 0.00 N ATOM 216 CA VAL A 14 21.760 -10.090 1.460 1.00 0.00 C ATOM 217 C VAL A 14 22.485 -11.385 1.101 1.00 0.00 C ATOM 218 O VAL A 14 23.687 -11.496 1.329 1.00 0.00 O ATOM 219 CB VAL A 14 21.411 -10.055 2.951 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.760 -8.722 3.295 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.456 -11.170 3.348 1.00 0.00 C ATOM 0 H VAL A 14 19.684 -10.064 1.153 1.00 0.00 H new ATOM 0 HA VAL A 14 22.437 -9.263 1.245 1.00 0.00 H new ATOM 0 HB VAL A 14 22.343 -10.189 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.513 -8.701 4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.451 -7.910 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.850 -8.600 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.240 -11.101 4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.529 -11.074 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.914 -12.135 3.132 1.00 0.00 H new ATOM 231 N GLN A 15 21.763 -12.359 0.537 1.00 0.00 N ATOM 232 CA GLN A 15 22.363 -13.594 0.055 1.00 0.00 C ATOM 233 C GLN A 15 23.012 -13.379 -1.315 1.00 0.00 C ATOM 234 O GLN A 15 23.821 -14.197 -1.749 1.00 0.00 O ATOM 235 CB GLN A 15 21.288 -14.678 -0.038 1.00 0.00 C ATOM 236 CG GLN A 15 20.822 -15.120 1.350 1.00 0.00 C ATOM 237 CD GLN A 15 19.679 -16.131 1.262 1.00 0.00 C ATOM 238 OE1 GLN A 15 19.105 -16.347 0.194 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.335 -16.762 2.380 1.00 0.00 N ATOM 0 H GLN A 15 20.753 -12.308 0.405 1.00 0.00 H new ATOM 0 HA GLN A 15 23.138 -13.908 0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.438 -14.302 -0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.681 -15.537 -0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.658 -15.561 1.892 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.496 -14.250 1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.828 -16.563 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.578 -17.445 2.368 1.00 0.00 H new ATOM 248 N LYS A 16 22.661 -12.280 -1.993 1.00 0.00 N ATOM 249 CA LYS A 16 23.217 -11.911 -3.289 1.00 0.00 C ATOM 250 C LYS A 16 24.440 -11.002 -3.147 1.00 0.00 C ATOM 251 O LYS A 16 24.990 -10.554 -4.154 1.00 0.00 O ATOM 252 CB LYS A 16 22.114 -11.290 -4.147 1.00 0.00 C ATOM 253 CG LYS A 16 21.144 -12.398 -4.564 1.00 0.00 C ATOM 254 CD LYS A 16 19.893 -11.803 -5.198 1.00 0.00 C ATOM 255 CE LYS A 16 18.888 -12.924 -5.461 1.00 0.00 C ATOM 256 NZ LYS A 16 17.646 -12.403 -6.061 1.00 0.00 N ATOM 0 H LYS A 16 21.970 -11.614 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 16 23.581 -12.806 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.588 -10.517 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.543 -10.810 -5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.632 -13.070 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.869 -12.995 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.457 -11.053 -4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.147 -11.298 -6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.332 -13.665 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.656 -13.434 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.985 -13.188 -6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.210 -11.714 -5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.866 -11.938 -6.965 1.00 0.00 H new ATOM 270 N GLY A 17 24.869 -10.731 -1.909 1.00 0.00 N ATOM 271 CA GLY A 17 26.100 -10.003 -1.640 1.00 0.00 C ATOM 272 C GLY A 17 25.865 -8.550 -1.230 1.00 0.00 C ATOM 273 O GLY A 17 26.825 -7.809 -1.031 1.00 0.00 O ATOM 0 H GLY A 17 24.366 -11.014 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.650 -10.512 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.729 -10.025 -2.530 1.00 0.00 H new ATOM 277 N ASP A 18 24.604 -8.133 -1.102 1.00 0.00 N ATOM 278 CA ASP A 18 24.270 -6.778 -0.705 1.00 0.00 C ATOM 279 C ASP A 18 23.965 -6.745 0.790 1.00 0.00 C ATOM 280 O ASP A 18 22.808 -6.808 1.202 1.00 0.00 O ATOM 281 CB ASP A 18 23.087 -6.305 -1.549 1.00 0.00 C ATOM 282 CG ASP A 18 23.537 -5.878 -2.944 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.237 -4.848 -3.037 1.00 0.00 O ATOM 284 OD2 ASP A 18 23.178 -6.586 -3.910 1.00 0.00 O ATOM 0 H ASP A 18 23.793 -8.728 -1.272 1.00 0.00 H new ATOM 0 HA ASP A 18 25.106 -6.100 -0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.352 -7.106 -1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.594 -5.470 -1.052 1.00 0.00 H new ATOM 289 N GLN A 19 25.018 -6.647 1.606 1.00 0.00 N ATOM 290 CA GLN A 19 24.902 -6.627 3.054 1.00 0.00 C ATOM 291 C GLN A 19 24.201 -5.349 3.521 1.00 0.00 C ATOM 292 O GLN A 19 23.714 -5.287 4.650 1.00 0.00 O ATOM 293 CB GLN A 19 26.307 -6.789 3.640 1.00 0.00 C ATOM 294 CG GLN A 19 26.309 -6.919 5.166 1.00 0.00 C ATOM 295 CD GLN A 19 26.285 -5.577 5.890 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.482 -4.521 5.298 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.036 -5.607 7.197 1.00 0.00 N ATOM 0 H GLN A 19 25.979 -6.579 1.271 1.00 0.00 H new ATOM 0 HA GLN A 19 24.281 -7.450 3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.776 -7.672 3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.915 -5.931 3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.443 -7.505 5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.195 -7.474 5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 19 25.876 -6.499 7.665 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.006 -4.738 7.730 1.00 0.00 H new ATOM 306 N LYS A 20 24.141 -4.330 2.657 1.00 0.00 N ATOM 307 CA LYS A 20 23.453 -3.083 2.954 1.00 0.00 C ATOM 308 C LYS A 20 21.971 -3.328 3.218 1.00 0.00 C ATOM 309 O LYS A 20 21.324 -2.539 3.902 1.00 0.00 O ATOM 310 CB LYS A 20 23.647 -2.124 1.774 1.00 0.00 C ATOM 311 CG LYS A 20 22.978 -2.655 0.501 1.00 0.00 C ATOM 312 CD LYS A 20 23.288 -1.747 -0.688 1.00 0.00 C ATOM 313 CE LYS A 20 22.560 -2.265 -1.926 1.00 0.00 C ATOM 314 NZ LYS A 20 22.901 -1.465 -3.120 1.00 0.00 N ATOM 0 H LYS A 20 24.571 -4.353 1.732 1.00 0.00 H new ATOM 0 HA LYS A 20 23.873 -2.641 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.231 -1.148 2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.712 -1.979 1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.328 -3.666 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 20 21.900 -2.715 0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 20 22.976 -0.725 -0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.363 -1.721 -0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 20 22.824 -3.309 -2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 20 21.483 -2.232 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.392 -1.840 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 22.626 -0.474 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 23.925 -1.517 -3.292 1.00 0.00 H new ATOM 328 N ALA A 21 21.427 -4.422 2.678 1.00 0.00 N ATOM 329 CA ALA A 21 20.029 -4.759 2.879 1.00 0.00 C ATOM 330 C ALA A 21 19.826 -5.462 4.217 1.00 0.00 C ATOM 331 O ALA A 21 18.704 -5.508 4.715 1.00 0.00 O ATOM 332 CB ALA A 21 19.547 -5.626 1.718 1.00 0.00 C ATOM 0 H ALA A 21 21.941 -5.086 2.098 1.00 0.00 H new ATOM 0 HA ALA A 21 19.438 -3.843 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.498 -5.881 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.659 -5.077 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.140 -6.540 1.676 1.00 0.00 H new ATOM 338 N PHE A 22 20.891 -6.010 4.810 1.00 0.00 N ATOM 339 CA PHE A 22 20.787 -6.648 6.110 1.00 0.00 C ATOM 340 C PHE A 22 20.712 -5.573 7.183 1.00 0.00 C ATOM 341 O PHE A 22 19.990 -5.716 8.164 1.00 0.00 O ATOM 342 CB PHE A 22 21.970 -7.584 6.355 1.00 0.00 C ATOM 343 CG PHE A 22 21.816 -8.368 7.638 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.787 -9.316 7.757 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.693 -8.152 8.711 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.627 -10.034 8.950 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.533 -8.872 9.903 1.00 0.00 C ATOM 348 CZ PHE A 22 21.499 -9.809 10.023 1.00 0.00 C ATOM 0 H PHE A 22 21.828 -6.021 4.406 1.00 0.00 H new ATOM 0 HA PHE A 22 19.882 -7.255 6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.065 -8.275 5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.891 -7.002 6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.118 -9.492 6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.492 -7.431 8.619 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.832 -10.760 9.042 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.208 -8.704 10.730 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.374 -10.359 10.944 1.00 0.00 H new ATOM 358 N ASN A 23 21.455 -4.479 6.999 1.00 0.00 N ATOM 359 CA ASN A 23 21.433 -3.366 7.928 1.00 0.00 C ATOM 360 C ASN A 23 20.037 -2.753 7.986 1.00 0.00 C ATOM 361 O ASN A 23 19.554 -2.382 9.058 1.00 0.00 O ATOM 362 CB ASN A 23 22.455 -2.343 7.437 1.00 0.00 C ATOM 363 CG ASN A 23 22.264 -0.981 8.078 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.682 -0.743 9.208 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.627 -0.073 7.348 1.00 0.00 N ATOM 0 H ASN A 23 22.082 -4.348 6.205 1.00 0.00 H new ATOM 0 HA ASN A 23 21.684 -3.697 8.936 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.460 -2.705 7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.377 -2.246 6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.469 0.863 7.722 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.296 -0.311 6.413 1.00 0.00 H new ATOM 372 N LEU A 24 19.386 -2.652 6.823 1.00 0.00 N ATOM 373 CA LEU A 24 18.030 -2.135 6.721 1.00 0.00 C ATOM 374 C LEU A 24 17.005 -3.169 7.182 1.00 0.00 C ATOM 375 O LEU A 24 15.871 -2.813 7.495 1.00 0.00 O ATOM 376 CB LEU A 24 17.764 -1.725 5.272 1.00 0.00 C ATOM 377 CG LEU A 24 18.701 -0.606 4.808 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.475 -0.355 3.323 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.449 0.691 5.576 1.00 0.00 C ATOM 0 H LEU A 24 19.790 -2.928 5.928 1.00 0.00 H new ATOM 0 HA LEU A 24 17.931 -1.268 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.886 -2.592 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.730 -1.395 5.173 1.00 0.00 H new ATOM 0 HG LEU A 24 19.728 -0.920 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.138 0.441 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.686 -1.267 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.439 -0.059 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.132 1.463 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.420 1.015 5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.615 0.522 6.640 1.00 0.00 H new ATOM 391 N LEU A 25 17.392 -4.446 7.226 1.00 0.00 N ATOM 392 CA LEU A 25 16.522 -5.517 7.686 1.00 0.00 C ATOM 393 C LEU A 25 16.545 -5.625 9.209 1.00 0.00 C ATOM 394 O LEU A 25 15.485 -5.715 9.824 1.00 0.00 O ATOM 395 CB LEU A 25 16.950 -6.821 7.004 1.00 0.00 C ATOM 396 CG LEU A 25 16.118 -8.033 7.427 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.655 -7.883 7.024 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.691 -9.268 6.732 1.00 0.00 C ATOM 0 H LEU A 25 18.320 -4.761 6.942 1.00 0.00 H new ATOM 0 HA LEU A 25 15.489 -5.303 7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.875 -6.698 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.999 -7.013 7.231 1.00 0.00 H new ATOM 0 HG LEU A 25 16.162 -8.123 8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.098 -8.764 7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.235 -6.997 7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.585 -7.781 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.114 -10.147 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.638 -9.135 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.731 -9.404 7.030 1.00 0.00 H new ATOM 410 N VAL A 26 17.728 -5.615 9.829 1.00 0.00 N ATOM 411 CA VAL A 26 17.791 -5.812 11.269 1.00 0.00 C ATOM 412 C VAL A 26 17.217 -4.628 12.028 1.00 0.00 C ATOM 413 O VAL A 26 16.784 -4.807 13.160 1.00 0.00 O ATOM 414 CB VAL A 26 19.216 -6.091 11.761 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.828 -7.278 11.033 1.00 0.00 C ATOM 416 CG2 VAL A 26 20.113 -4.863 11.637 1.00 0.00 C ATOM 0 H VAL A 26 18.627 -5.477 9.368 1.00 0.00 H new ATOM 0 HA VAL A 26 17.181 -6.692 11.472 1.00 0.00 H new ATOM 0 HB VAL A 26 19.143 -6.339 12.820 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.838 -7.451 11.404 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.220 -8.166 11.209 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.865 -7.070 9.964 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.113 -5.105 11.997 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.167 -4.556 10.593 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.700 -4.049 12.233 1.00 0.00 H new ATOM 426 N VAL A 27 17.196 -3.425 11.443 1.00 0.00 N ATOM 427 CA VAL A 27 16.668 -2.265 12.155 1.00 0.00 C ATOM 428 C VAL A 27 15.153 -2.384 12.330 1.00 0.00 C ATOM 429 O VAL A 27 14.596 -1.821 13.272 1.00 0.00 O ATOM 430 CB VAL A 27 17.091 -0.970 11.451 1.00 0.00 C ATOM 431 CG1 VAL A 27 16.468 -0.860 10.065 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.691 0.248 12.284 1.00 0.00 C ATOM 0 H VAL A 27 17.532 -3.235 10.499 1.00 0.00 H new ATOM 0 HA VAL A 27 17.093 -2.231 13.158 1.00 0.00 H new ATOM 0 HB VAL A 27 18.175 -0.998 11.343 1.00 0.00 H new ATOM 0 HG11 VAL A 27 16.789 0.069 9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.787 -1.705 9.455 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.382 -0.866 10.153 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.999 1.158 11.769 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.610 0.256 12.420 1.00 0.00 H new ATOM 0 HG23 VAL A 27 17.179 0.199 13.258 1.00 0.00 H new ATOM 442 N ARG A 28 14.481 -3.119 11.435 1.00 0.00 N ATOM 443 CA ARG A 28 13.052 -3.376 11.565 1.00 0.00 C ATOM 444 C ARG A 28 12.807 -4.269 12.771 1.00 0.00 C ATOM 445 O ARG A 28 11.791 -4.143 13.453 1.00 0.00 O ATOM 446 CB ARG A 28 12.530 -4.087 10.312 1.00 0.00 C ATOM 447 CG ARG A 28 12.981 -3.409 9.019 1.00 0.00 C ATOM 448 CD ARG A 28 12.495 -4.205 7.806 1.00 0.00 C ATOM 449 NE ARG A 28 11.033 -4.166 7.678 1.00 0.00 N ATOM 450 CZ ARG A 28 10.377 -3.466 6.749 1.00 0.00 C ATOM 451 NH1 ARG A 28 11.034 -2.726 5.863 1.00 0.00 N ATOM 452 NH2 ARG A 28 9.050 -3.506 6.702 1.00 0.00 N ATOM 0 H ARG A 28 14.910 -3.544 10.613 1.00 0.00 H new ATOM 0 HA ARG A 28 12.532 -2.426 11.689 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.876 -5.121 10.315 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.441 -4.115 10.342 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.589 -2.393 8.977 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.068 -3.332 9.000 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.950 -3.802 6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.825 -5.240 7.895 1.00 0.00 H new ATOM 0 HE ARG A 28 10.482 -4.709 8.342 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.053 -2.687 5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.520 -2.197 5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.533 -4.071 7.375 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.548 -2.972 5.993 1.00 0.00 H new ATOM 466 N TYR A 29 13.753 -5.175 13.031 1.00 0.00 N ATOM 467 CA TYR A 29 13.659 -6.125 14.127 1.00 0.00 C ATOM 468 C TYR A 29 14.429 -5.667 15.361 1.00 0.00 C ATOM 469 O TYR A 29 14.311 -6.276 16.416 1.00 0.00 O ATOM 470 CB TYR A 29 14.143 -7.486 13.636 1.00 0.00 C ATOM 471 CG TYR A 29 13.216 -8.101 12.617 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.278 -7.712 11.273 1.00 0.00 C ATOM 473 CD2 TYR A 29 12.276 -9.060 13.026 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.385 -8.250 10.338 1.00 0.00 C ATOM 475 CE2 TYR A 29 11.381 -9.609 12.100 1.00 0.00 C ATOM 476 CZ TYR A 29 11.427 -9.202 10.751 1.00 0.00 C ATOM 477 OH TYR A 29 10.551 -9.731 9.850 1.00 0.00 O ATOM 0 H TYR A 29 14.607 -5.265 12.481 1.00 0.00 H new ATOM 0 HA TYR A 29 12.617 -6.198 14.440 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.136 -7.378 13.199 1.00 0.00 H new ATOM 0 HB3 TYR A 29 14.240 -8.161 14.486 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.019 -6.993 10.956 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.243 -9.375 14.058 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.429 -7.938 9.305 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.656 -10.343 12.419 1.00 0.00 H new ATOM 0 HH TYR A 29 10.968 -9.754 8.963 1.00 0.00 H new ATOM 487 N GLN A 30 15.221 -4.601 15.261 1.00 0.00 N ATOM 488 CA GLN A 30 16.052 -4.162 16.369 1.00 0.00 C ATOM 489 C GLN A 30 15.184 -3.733 17.551 1.00 0.00 C ATOM 490 O GLN A 30 15.608 -3.852 18.701 1.00 0.00 O ATOM 491 CB GLN A 30 16.956 -3.034 15.865 1.00 0.00 C ATOM 492 CG GLN A 30 18.033 -2.654 16.875 1.00 0.00 C ATOM 493 CD GLN A 30 19.021 -1.675 16.249 1.00 0.00 C ATOM 494 OE1 GLN A 30 19.112 -0.523 16.664 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.765 -2.128 15.241 1.00 0.00 N ATOM 0 H GLN A 30 15.301 -4.028 14.421 1.00 0.00 H new ATOM 0 HA GLN A 30 16.678 -4.977 16.732 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.429 -3.341 14.932 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.348 -2.158 15.640 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.574 -2.205 17.756 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.559 -3.548 17.210 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.661 -3.092 14.924 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.438 -1.511 14.787 1.00 0.00 H new ATOM 504 N HIS A 31 13.973 -3.239 17.282 1.00 0.00 N ATOM 505 CA HIS A 31 13.036 -2.868 18.336 1.00 0.00 C ATOM 506 C HIS A 31 12.193 -4.062 18.786 1.00 0.00 C ATOM 507 O HIS A 31 11.820 -4.143 19.956 1.00 0.00 O ATOM 508 CB HIS A 31 12.150 -1.733 17.828 1.00 0.00 C ATOM 509 CG HIS A 31 11.186 -1.228 18.874 1.00 0.00 C ATOM 510 ND1 HIS A 31 11.531 -0.451 19.984 1.00 0.00 N ATOM 511 CD2 HIS A 31 9.842 -1.458 18.886 1.00 0.00 C ATOM 512 CE1 HIS A 31 10.376 -0.234 20.636 1.00 0.00 C ATOM 513 NE2 HIS A 31 9.348 -0.828 20.002 1.00 0.00 N ATOM 0 H HIS A 31 13.620 -3.087 16.337 1.00 0.00 H new ATOM 0 HA HIS A 31 13.597 -2.533 19.209 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.780 -0.909 17.493 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.588 -2.078 16.960 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.277 -2.024 18.160 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.285 0.340 21.546 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.372 -0.813 20.299 1.00 0.00 H new ATOM 521 N LYS A 32 11.890 -4.994 17.876 1.00 0.00 N ATOM 522 CA LYS A 32 11.012 -6.117 18.192 1.00 0.00 C ATOM 523 C LYS A 32 11.760 -7.267 18.862 1.00 0.00 C ATOM 524 O LYS A 32 11.193 -7.976 19.693 1.00 0.00 O ATOM 525 CB LYS A 32 10.326 -6.596 16.910 1.00 0.00 C ATOM 526 CG LYS A 32 9.477 -5.473 16.301 1.00 0.00 C ATOM 527 CD LYS A 32 8.742 -5.949 15.046 1.00 0.00 C ATOM 528 CE LYS A 32 7.716 -7.042 15.350 1.00 0.00 C ATOM 529 NZ LYS A 32 6.628 -6.538 16.206 1.00 0.00 N ATOM 0 H LYS A 32 12.241 -4.990 16.918 1.00 0.00 H new ATOM 0 HA LYS A 32 10.265 -5.772 18.907 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.076 -6.924 16.190 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.696 -7.458 17.128 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.754 -5.121 17.037 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.116 -4.626 16.051 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.239 -5.102 14.580 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.467 -6.326 14.325 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.300 -7.422 14.417 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.210 -7.879 15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.861 -7.239 16.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.990 -6.373 17.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.264 -5.646 15.815 1.00 0.00 H new ATOM 543 N VAL A 33 13.034 -7.456 18.510 1.00 0.00 N ATOM 544 CA VAL A 33 13.870 -8.488 19.097 1.00 0.00 C ATOM 545 C VAL A 33 14.239 -8.076 20.512 1.00 0.00 C ATOM 546 O VAL A 33 14.287 -8.910 21.412 1.00 0.00 O ATOM 547 CB VAL A 33 15.135 -8.628 18.253 1.00 0.00 C ATOM 548 CG1 VAL A 33 16.045 -9.711 18.785 1.00 0.00 C ATOM 549 CG2 VAL A 33 14.843 -9.128 16.851 1.00 0.00 C ATOM 0 H VAL A 33 13.510 -6.892 17.806 1.00 0.00 H new ATOM 0 HA VAL A 33 13.340 -9.440 19.124 1.00 0.00 H new ATOM 0 HB VAL A 33 15.573 -7.630 18.273 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.934 -9.780 18.158 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.339 -9.470 19.806 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.519 -10.666 18.775 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.775 -9.210 16.292 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.366 -10.106 16.906 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.178 -8.427 16.346 1.00 0.00 H new ATOM 559 N ALA A 34 14.498 -6.780 20.711 1.00 0.00 N ATOM 560 CA ALA A 34 14.819 -6.257 22.026 1.00 0.00 C ATOM 561 C ALA A 34 13.644 -6.436 22.986 1.00 0.00 C ATOM 562 O ALA A 34 13.849 -6.513 24.196 1.00 0.00 O ATOM 563 CB ALA A 34 15.173 -4.777 21.892 1.00 0.00 C ATOM 0 H ALA A 34 14.489 -6.079 19.970 1.00 0.00 H new ATOM 0 HA ALA A 34 15.667 -6.806 22.435 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.417 -4.371 22.874 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.032 -4.667 21.230 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.323 -4.236 21.476 1.00 0.00 H new ATOM 569 N SER A 35 12.413 -6.508 22.466 1.00 0.00 N ATOM 570 CA SER A 35 11.232 -6.663 23.303 1.00 0.00 C ATOM 571 C SER A 35 11.148 -8.076 23.871 1.00 0.00 C ATOM 572 O SER A 35 10.930 -8.252 25.070 1.00 0.00 O ATOM 573 CB SER A 35 9.984 -6.353 22.479 1.00 0.00 C ATOM 574 OG SER A 35 8.842 -6.376 23.305 1.00 0.00 O ATOM 0 H SER A 35 12.215 -6.461 21.466 1.00 0.00 H new ATOM 0 HA SER A 35 11.301 -5.968 24.139 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.083 -5.375 22.008 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.877 -7.083 21.677 1.00 0.00 H new ATOM 0 HG SER A 35 8.047 -6.175 22.769 1.00 0.00 H new ATOM 580 N LEU A 36 11.321 -9.093 23.019 1.00 0.00 N ATOM 581 CA LEU A 36 11.190 -10.472 23.468 1.00 0.00 C ATOM 582 C LEU A 36 12.443 -10.946 24.192 1.00 0.00 C ATOM 583 O LEU A 36 12.356 -11.828 25.041 1.00 0.00 O ATOM 584 CB LEU A 36 10.829 -11.379 22.285 1.00 0.00 C ATOM 585 CG LEU A 36 11.961 -11.584 21.269 1.00 0.00 C ATOM 586 CD1 LEU A 36 12.883 -12.743 21.651 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.342 -11.947 19.925 1.00 0.00 C ATOM 0 H LEU A 36 11.548 -8.984 22.031 1.00 0.00 H new ATOM 0 HA LEU A 36 10.378 -10.525 24.193 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.523 -12.352 22.670 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.967 -10.955 21.769 1.00 0.00 H new ATOM 0 HG LEU A 36 12.540 -10.661 21.237 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.667 -12.847 20.901 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.335 -12.544 22.623 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.305 -13.666 21.702 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.132 -12.097 19.189 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.763 -12.865 20.027 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.688 -11.140 19.596 1.00 0.00 H new ATOM 599 N VAL A 37 13.605 -10.369 23.867 1.00 0.00 N ATOM 600 CA VAL A 37 14.856 -10.797 24.477 1.00 0.00 C ATOM 601 C VAL A 37 15.093 -10.099 25.815 1.00 0.00 C ATOM 602 O VAL A 37 15.934 -10.539 26.598 1.00 0.00 O ATOM 603 CB VAL A 37 15.994 -10.625 23.470 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.528 -9.203 23.435 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.148 -11.564 23.802 1.00 0.00 C ATOM 0 H VAL A 37 13.699 -9.612 23.190 1.00 0.00 H new ATOM 0 HA VAL A 37 14.807 -11.857 24.725 1.00 0.00 H new ATOM 0 HB VAL A 37 15.576 -10.863 22.492 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.334 -9.135 22.704 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.726 -8.520 23.155 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.908 -8.933 24.420 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.949 -11.428 23.075 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.523 -11.341 24.801 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.799 -12.596 23.768 1.00 0.00 H new ATOM 615 N SER A 38 14.359 -9.016 26.098 1.00 0.00 N ATOM 616 CA SER A 38 14.418 -8.367 27.403 1.00 0.00 C ATOM 617 C SER A 38 13.804 -9.279 28.469 1.00 0.00 C ATOM 618 O SER A 38 13.940 -9.030 29.668 1.00 0.00 O ATOM 619 CB SER A 38 13.685 -7.028 27.332 1.00 0.00 C ATOM 620 OG SER A 38 13.809 -6.333 28.555 1.00 0.00 O ATOM 0 H SER A 38 13.719 -8.575 25.438 1.00 0.00 H new ATOM 0 HA SER A 38 15.456 -8.182 27.679 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.094 -6.425 26.521 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.632 -7.194 27.106 1.00 0.00 H new ATOM 0 HG SER A 38 13.968 -6.973 29.280 1.00 0.00 H new ATOM 626 N ARG A 39 13.121 -10.344 28.034 1.00 0.00 N ATOM 627 CA ARG A 39 12.545 -11.335 28.930 1.00 0.00 C ATOM 628 C ARG A 39 13.566 -12.401 29.324 1.00 0.00 C ATOM 629 O ARG A 39 13.272 -13.239 30.175 1.00 0.00 O ATOM 630 CB ARG A 39 11.340 -11.994 28.258 1.00 0.00 C ATOM 631 CG ARG A 39 10.324 -10.959 27.770 1.00 0.00 C ATOM 632 CD ARG A 39 9.117 -11.659 27.149 1.00 0.00 C ATOM 633 NE ARG A 39 9.512 -12.512 26.020 1.00 0.00 N ATOM 634 CZ ARG A 39 8.667 -13.312 25.365 1.00 0.00 C ATOM 635 NH1 ARG A 39 7.379 -13.354 25.690 1.00 0.00 N ATOM 636 NH2 ARG A 39 9.106 -14.079 24.371 1.00 0.00 N ATOM 0 H ARG A 39 12.956 -10.537 27.046 1.00 0.00 H new ATOM 0 HA ARG A 39 12.230 -10.824 29.840 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.679 -12.596 27.415 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.858 -12.673 28.961 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.002 -10.333 28.603 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.789 -10.300 27.037 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.617 -12.263 27.905 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.398 -10.914 26.809 1.00 0.00 H new ATOM 0 HE ARG A 39 10.487 -12.492 25.720 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.025 -12.771 26.448 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.744 -13.970 25.181 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.091 -14.057 24.107 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.458 -14.689 23.873 1.00 0.00 H new ATOM 650 N TYR A 40 14.758 -12.377 28.716 1.00 0.00 N ATOM 651 CA TYR A 40 15.786 -13.381 28.955 1.00 0.00 C ATOM 652 C TYR A 40 17.095 -12.765 29.453 1.00 0.00 C ATOM 653 O TYR A 40 17.967 -13.494 29.918 1.00 0.00 O ATOM 654 CB TYR A 40 15.992 -14.192 27.676 1.00 0.00 C ATOM 655 CG TYR A 40 14.754 -14.931 27.219 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.376 -16.120 27.856 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.983 -14.430 26.160 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.222 -16.803 27.447 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.830 -15.108 25.739 1.00 0.00 C ATOM 660 CZ TYR A 40 12.442 -16.298 26.387 1.00 0.00 C ATOM 661 OH TYR A 40 11.318 -16.958 25.985 1.00 0.00 O ATOM 0 H TYR A 40 15.031 -11.658 28.046 1.00 0.00 H new ATOM 0 HA TYR A 40 15.450 -14.044 29.753 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.319 -13.523 26.880 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.795 -14.911 27.838 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.975 -16.512 28.665 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.279 -13.517 25.666 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.931 -17.716 27.944 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.241 -14.720 24.921 1.00 0.00 H new ATOM 0 HH TYR A 40 10.900 -16.471 25.244 1.00 0.00 H new ATOM 671 N VAL A 41 17.239 -11.441 29.366 1.00 0.00 N ATOM 672 CA VAL A 41 18.386 -10.717 29.909 1.00 0.00 C ATOM 673 C VAL A 41 17.924 -9.344 30.403 1.00 0.00 C ATOM 674 O VAL A 41 16.926 -8.822 29.905 1.00 0.00 O ATOM 675 CB VAL A 41 19.508 -10.560 28.872 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.291 -11.861 28.695 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.971 -10.100 27.518 1.00 0.00 C ATOM 0 H VAL A 41 16.554 -10.837 28.911 1.00 0.00 H new ATOM 0 HA VAL A 41 18.794 -11.294 30.739 1.00 0.00 H new ATOM 0 HB VAL A 41 20.179 -9.792 29.257 1.00 0.00 H new ATOM 0 HG11 VAL A 41 21.077 -11.715 27.954 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.738 -12.149 29.647 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.617 -12.648 28.358 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.797 -10.001 26.813 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.258 -10.833 27.141 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.474 -9.136 27.632 1.00 0.00 H new ATOM 687 N PRO A 42 18.629 -8.749 31.374 1.00 0.00 N ATOM 688 CA PRO A 42 18.282 -7.456 31.939 1.00 0.00 C ATOM 689 C PRO A 42 18.459 -6.341 30.909 1.00 0.00 C ATOM 690 O PRO A 42 19.132 -6.519 29.896 1.00 0.00 O ATOM 691 CB PRO A 42 19.226 -7.266 33.126 1.00 0.00 C ATOM 692 CG PRO A 42 20.453 -8.075 32.715 1.00 0.00 C ATOM 693 CD PRO A 42 19.825 -9.274 32.006 1.00 0.00 C ATOM 0 HA PRO A 42 17.237 -7.417 32.247 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.469 -6.215 33.285 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.789 -7.636 34.053 1.00 0.00 H new ATOM 0 HG2 PRO A 42 21.111 -7.510 32.055 1.00 0.00 H new ATOM 0 HG3 PRO A 42 21.049 -8.377 33.576 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.507 -9.699 31.270 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.583 -10.068 32.712 1.00 0.00 H new ATOM 701 N SER A 43 17.849 -5.182 31.175 1.00 0.00 N ATOM 702 CA SER A 43 17.846 -4.061 30.242 1.00 0.00 C ATOM 703 C SER A 43 19.239 -3.480 30.008 1.00 0.00 C ATOM 704 O SER A 43 19.417 -2.657 29.111 1.00 0.00 O ATOM 705 CB SER A 43 16.893 -2.977 30.751 1.00 0.00 C ATOM 706 OG SER A 43 17.351 -2.455 31.982 1.00 0.00 O ATOM 0 H SER A 43 17.345 -4.999 32.043 1.00 0.00 H new ATOM 0 HA SER A 43 17.503 -4.438 29.278 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.817 -2.176 30.015 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.893 -3.392 30.875 1.00 0.00 H new ATOM 0 HG SER A 43 16.732 -1.762 32.294 1.00 0.00 H new ATOM 712 N GLY A 44 20.232 -3.892 30.801 1.00 0.00 N ATOM 713 CA GLY A 44 21.603 -3.438 30.624 1.00 0.00 C ATOM 714 C GLY A 44 22.380 -4.317 29.647 1.00 0.00 C ATOM 715 O GLY A 44 23.406 -3.886 29.122 1.00 0.00 O ATOM 0 H GLY A 44 20.104 -4.544 31.575 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.600 -2.410 30.262 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.110 -3.434 31.589 1.00 0.00 H new ATOM 719 N ASP A 45 21.900 -5.541 29.398 1.00 0.00 N ATOM 720 CA ASP A 45 22.557 -6.481 28.503 1.00 0.00 C ATOM 721 C ASP A 45 21.680 -6.796 27.290 1.00 0.00 C ATOM 722 O ASP A 45 22.116 -7.500 26.381 1.00 0.00 O ATOM 723 CB ASP A 45 22.897 -7.758 29.274 1.00 0.00 C ATOM 724 CG ASP A 45 23.872 -7.494 30.421 1.00 0.00 C ATOM 725 OD1 ASP A 45 24.824 -6.707 30.215 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.656 -8.084 31.503 1.00 0.00 O ATOM 0 H ASP A 45 21.042 -5.902 29.816 1.00 0.00 H new ATOM 0 HA ASP A 45 23.476 -6.029 28.130 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.981 -8.196 29.671 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.330 -8.489 28.591 1.00 0.00 H new ATOM 731 N VAL A 46 20.448 -6.280 27.265 1.00 0.00 N ATOM 732 CA VAL A 46 19.507 -6.574 26.195 1.00 0.00 C ATOM 733 C VAL A 46 19.922 -6.005 24.829 1.00 0.00 C ATOM 734 O VAL A 46 19.608 -6.636 23.822 1.00 0.00 O ATOM 735 CB VAL A 46 18.100 -6.130 26.616 1.00 0.00 C ATOM 736 CG1 VAL A 46 17.900 -4.618 26.575 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.054 -6.768 25.709 1.00 0.00 C ATOM 0 H VAL A 46 20.083 -5.653 27.982 1.00 0.00 H new ATOM 0 HA VAL A 46 19.507 -7.653 26.043 1.00 0.00 H new ATOM 0 HB VAL A 46 17.985 -6.456 27.650 1.00 0.00 H new ATOM 0 HG11 VAL A 46 16.883 -4.377 26.885 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.608 -4.139 27.251 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.065 -4.257 25.560 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.060 -6.446 26.018 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.231 -6.462 24.678 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.122 -7.853 25.782 1.00 0.00 H new ATOM 747 N PRO A 47 20.611 -4.853 24.720 1.00 0.00 N ATOM 748 CA PRO A 47 20.948 -4.310 23.412 1.00 0.00 C ATOM 749 C PRO A 47 22.139 -5.045 22.800 1.00 0.00 C ATOM 750 O PRO A 47 22.312 -5.041 21.582 1.00 0.00 O ATOM 751 CB PRO A 47 21.297 -2.848 23.671 1.00 0.00 C ATOM 752 CG PRO A 47 21.925 -2.897 25.059 1.00 0.00 C ATOM 753 CD PRO A 47 21.113 -3.978 25.769 1.00 0.00 C ATOM 0 HA PRO A 47 20.126 -4.420 22.705 1.00 0.00 H new ATOM 0 HB2 PRO A 47 21.991 -2.459 22.926 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.413 -2.210 23.648 1.00 0.00 H new ATOM 0 HG2 PRO A 47 22.984 -3.153 25.014 1.00 0.00 H new ATOM 0 HG3 PRO A 47 21.851 -1.937 25.569 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.732 -4.531 26.476 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.293 -3.540 26.338 1.00 0.00 H new ATOM 761 N ASP A 48 22.962 -5.681 23.637 1.00 0.00 N ATOM 762 CA ASP A 48 24.137 -6.394 23.166 1.00 0.00 C ATOM 763 C ASP A 48 23.753 -7.779 22.658 1.00 0.00 C ATOM 764 O ASP A 48 24.413 -8.326 21.778 1.00 0.00 O ATOM 765 CB ASP A 48 25.144 -6.499 24.310 1.00 0.00 C ATOM 766 CG ASP A 48 26.464 -7.103 23.831 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.163 -6.420 23.051 1.00 0.00 O ATOM 768 OD2 ASP A 48 26.761 -8.243 24.248 1.00 0.00 O ATOM 0 H ASP A 48 22.830 -5.713 24.648 1.00 0.00 H new ATOM 0 HA ASP A 48 24.587 -5.849 22.337 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.325 -5.510 24.730 1.00 0.00 H new ATOM 0 HB3 ASP A 48 24.728 -7.114 25.109 1.00 0.00 H new ATOM 773 N VAL A 49 22.682 -8.354 23.212 1.00 0.00 N ATOM 774 CA VAL A 49 22.205 -9.657 22.779 1.00 0.00 C ATOM 775 C VAL A 49 21.429 -9.523 21.469 1.00 0.00 C ATOM 776 O VAL A 49 21.387 -10.471 20.687 1.00 0.00 O ATOM 777 CB VAL A 49 21.375 -10.290 23.897 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.756 -11.613 23.444 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.264 -10.588 25.105 1.00 0.00 C ATOM 0 H VAL A 49 22.133 -7.932 23.961 1.00 0.00 H new ATOM 0 HA VAL A 49 23.046 -10.321 22.579 1.00 0.00 H new ATOM 0 HB VAL A 49 20.588 -9.583 24.157 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.172 -12.040 24.259 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.107 -11.436 22.586 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.548 -12.308 23.163 1.00 0.00 H new ATOM 0 HG21 VAL A 49 21.664 -11.038 25.896 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.056 -11.278 24.813 1.00 0.00 H new ATOM 0 HG23 VAL A 49 22.706 -9.661 25.469 1.00 0.00 H new ATOM 789 N VAL A 50 20.814 -8.363 21.214 1.00 0.00 N ATOM 790 CA VAL A 50 20.173 -8.113 19.930 1.00 0.00 C ATOM 791 C VAL A 50 21.244 -7.977 18.854 1.00 0.00 C ATOM 792 O VAL A 50 21.049 -8.425 17.726 1.00 0.00 O ATOM 793 CB VAL A 50 19.327 -6.839 20.011 1.00 0.00 C ATOM 794 CG1 VAL A 50 18.841 -6.409 18.628 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.096 -7.093 20.877 1.00 0.00 C ATOM 0 H VAL A 50 20.750 -7.591 21.878 1.00 0.00 H new ATOM 0 HA VAL A 50 19.517 -8.946 19.676 1.00 0.00 H new ATOM 0 HB VAL A 50 19.953 -6.055 20.438 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.243 -5.502 18.718 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.699 -6.216 17.985 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.233 -7.202 18.193 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.496 -6.184 20.932 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.501 -7.894 20.438 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.410 -7.382 21.880 1.00 0.00 H new ATOM 805 N GLN A 51 22.382 -7.360 19.193 1.00 0.00 N ATOM 806 CA GLN A 51 23.468 -7.208 18.245 1.00 0.00 C ATOM 807 C GLN A 51 24.111 -8.563 17.974 1.00 0.00 C ATOM 808 O GLN A 51 24.403 -8.880 16.827 1.00 0.00 O ATOM 809 CB GLN A 51 24.484 -6.201 18.786 1.00 0.00 C ATOM 810 CG GLN A 51 25.615 -5.982 17.777 1.00 0.00 C ATOM 811 CD GLN A 51 26.583 -4.892 18.226 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.434 -4.308 19.294 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.590 -4.608 17.406 1.00 0.00 N ATOM 0 H GLN A 51 22.565 -6.963 20.115 1.00 0.00 H new ATOM 0 HA GLN A 51 23.084 -6.826 17.299 1.00 0.00 H new ATOM 0 HB2 GLN A 51 23.988 -5.253 18.996 1.00 0.00 H new ATOM 0 HB3 GLN A 51 24.895 -6.562 19.729 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.161 -6.915 17.637 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.190 -5.713 16.810 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.687 -5.111 16.524 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.266 -3.887 17.659 1.00 0.00 H new ATOM 822 N GLU A 52 24.330 -9.370 19.016 1.00 0.00 N ATOM 823 CA GLU A 52 24.930 -10.683 18.822 1.00 0.00 C ATOM 824 C GLU A 52 23.955 -11.607 18.096 1.00 0.00 C ATOM 825 O GLU A 52 24.382 -12.529 17.403 1.00 0.00 O ATOM 826 CB GLU A 52 25.350 -11.261 20.173 1.00 0.00 C ATOM 827 CG GLU A 52 26.131 -12.563 19.973 1.00 0.00 C ATOM 828 CD GLU A 52 26.826 -12.982 21.262 1.00 0.00 C ATOM 829 OE1 GLU A 52 26.110 -13.244 22.254 1.00 0.00 O ATOM 830 OE2 GLU A 52 28.077 -13.040 21.254 1.00 0.00 O ATOM 0 H GLU A 52 24.104 -9.139 19.983 1.00 0.00 H new ATOM 0 HA GLU A 52 25.820 -10.589 18.200 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.965 -10.539 20.710 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.469 -11.448 20.786 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.453 -13.352 19.647 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.870 -12.431 19.183 1.00 0.00 H new ATOM 837 N ALA A 53 22.648 -11.369 18.242 1.00 0.00 N ATOM 838 CA ALA A 53 21.654 -12.162 17.540 1.00 0.00 C ATOM 839 C ALA A 53 21.663 -11.819 16.054 1.00 0.00 C ATOM 840 O ALA A 53 21.457 -12.703 15.231 1.00 0.00 O ATOM 841 CB ALA A 53 20.277 -11.909 18.153 1.00 0.00 C ATOM 0 H ALA A 53 22.263 -10.636 18.838 1.00 0.00 H new ATOM 0 HA ALA A 53 21.892 -13.221 17.642 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.530 -12.503 17.627 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.290 -12.191 19.206 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.028 -10.852 18.064 1.00 0.00 H new ATOM 847 N PHE A 54 21.902 -10.552 15.698 1.00 0.00 N ATOM 848 CA PHE A 54 22.007 -10.158 14.299 1.00 0.00 C ATOM 849 C PHE A 54 23.333 -10.597 13.685 1.00 0.00 C ATOM 850 O PHE A 54 23.375 -10.929 12.501 1.00 0.00 O ATOM 851 CB PHE A 54 21.841 -8.641 14.183 1.00 0.00 C ATOM 852 CG PHE A 54 20.478 -8.120 14.580 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.330 -8.896 14.379 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.359 -6.842 15.149 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.073 -8.403 14.748 1.00 0.00 C ATOM 856 CE2 PHE A 54 19.099 -6.342 15.497 1.00 0.00 C ATOM 857 CZ PHE A 54 17.958 -7.125 15.300 1.00 0.00 C ATOM 0 H PHE A 54 22.025 -9.787 16.362 1.00 0.00 H new ATOM 0 HA PHE A 54 21.213 -10.657 13.743 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.594 -8.159 14.806 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.042 -8.345 13.153 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.415 -9.878 13.938 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.242 -6.243 15.319 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.192 -9.011 14.606 1.00 0.00 H new ATOM 0 HE2 PHE A 54 19.008 -5.351 15.918 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.987 -6.742 15.575 1.00 0.00 H new ATOM 867 N ILE A 55 24.419 -10.612 14.460 1.00 0.00 N ATOM 868 CA ILE A 55 25.702 -11.080 13.945 1.00 0.00 C ATOM 869 C ILE A 55 25.628 -12.594 13.734 1.00 0.00 C ATOM 870 O ILE A 55 26.162 -13.121 12.760 1.00 0.00 O ATOM 871 CB ILE A 55 26.826 -10.699 14.922 1.00 0.00 C ATOM 872 CG1 ILE A 55 26.962 -9.171 15.005 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.150 -11.318 14.458 1.00 0.00 C ATOM 874 CD1 ILE A 55 27.924 -8.742 16.113 1.00 0.00 C ATOM 0 H ILE A 55 24.435 -10.309 15.434 1.00 0.00 H new ATOM 0 HA ILE A 55 25.923 -10.607 12.988 1.00 0.00 H new ATOM 0 HB ILE A 55 26.579 -11.083 15.912 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.315 -8.786 14.049 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.982 -8.729 15.184 1.00 0.00 H new ATOM 0 HG21 ILE A 55 28.943 -11.045 15.154 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.053 -12.403 14.426 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.396 -10.947 13.463 1.00 0.00 H new ATOM 0 HD11 ILE A 55 27.990 -7.654 16.136 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.557 -9.104 17.074 1.00 0.00 H new ATOM 0 HD13 ILE A 55 28.911 -9.162 15.920 1.00 0.00 H new ATOM 886 N LYS A 56 24.958 -13.292 14.656 1.00 0.00 N ATOM 887 CA LYS A 56 24.782 -14.735 14.589 1.00 0.00 C ATOM 888 C LYS A 56 23.753 -15.098 13.522 1.00 0.00 C ATOM 889 O LYS A 56 23.858 -16.151 12.896 1.00 0.00 O ATOM 890 CB LYS A 56 24.349 -15.213 15.975 1.00 0.00 C ATOM 891 CG LYS A 56 24.212 -16.732 16.051 1.00 0.00 C ATOM 892 CD LYS A 56 23.729 -17.138 17.443 1.00 0.00 C ATOM 893 CE LYS A 56 24.717 -16.736 18.543 1.00 0.00 C ATOM 894 NZ LYS A 56 26.010 -17.433 18.386 1.00 0.00 N ATOM 0 H LYS A 56 24.522 -12.863 15.473 1.00 0.00 H new ATOM 0 HA LYS A 56 25.713 -15.226 14.307 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.076 -14.879 16.715 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.396 -14.752 16.234 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.508 -17.081 15.295 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.171 -17.204 15.836 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.762 -16.674 17.639 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.576 -18.217 17.472 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.877 -15.658 18.515 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.292 -16.970 19.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 26.602 -17.260 19.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.844 -18.455 18.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 26.496 -17.076 17.539 1.00 0.00 H new ATOM 908 N ALA A 57 22.760 -14.230 13.311 1.00 0.00 N ATOM 909 CA ALA A 57 21.738 -14.477 12.314 1.00 0.00 C ATOM 910 C ALA A 57 22.330 -14.377 10.918 1.00 0.00 C ATOM 911 O ALA A 57 22.048 -15.228 10.085 1.00 0.00 O ATOM 912 CB ALA A 57 20.591 -13.481 12.474 1.00 0.00 C ATOM 0 H ALA A 57 22.650 -13.354 13.821 1.00 0.00 H new ATOM 0 HA ALA A 57 21.348 -15.485 12.457 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.830 -13.678 11.719 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.153 -13.587 13.466 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.970 -12.467 12.351 1.00 0.00 H new ATOM 918 N TYR A 58 23.147 -13.358 10.634 1.00 0.00 N ATOM 919 CA TYR A 58 23.662 -13.165 9.285 1.00 0.00 C ATOM 920 C TYR A 58 24.503 -14.357 8.836 1.00 0.00 C ATOM 921 O TYR A 58 24.463 -14.749 7.669 1.00 0.00 O ATOM 922 CB TYR A 58 24.524 -11.906 9.266 1.00 0.00 C ATOM 923 CG TYR A 58 25.008 -11.537 7.883 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.118 -10.976 6.957 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.346 -11.760 7.534 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.573 -10.612 5.683 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.807 -11.406 6.257 1.00 0.00 C ATOM 928 CZ TYR A 58 25.920 -10.825 5.328 1.00 0.00 C ATOM 929 OH TYR A 58 26.362 -10.475 4.088 1.00 0.00 O ATOM 0 H TYR A 58 23.460 -12.665 11.314 1.00 0.00 H new ATOM 0 HA TYR A 58 22.819 -13.067 8.600 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.951 -11.075 9.677 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.385 -12.053 9.918 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.083 -10.825 7.225 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.023 -12.205 8.248 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.891 -10.168 4.973 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.838 -11.578 5.987 1.00 0.00 H new ATOM 0 HH TYR A 58 27.315 -10.689 4.008 1.00 0.00 H new ATOM 939 N ARG A 59 25.267 -14.937 9.766 1.00 0.00 N ATOM 940 CA ARG A 59 26.127 -16.078 9.478 1.00 0.00 C ATOM 941 C ARG A 59 25.302 -17.340 9.250 1.00 0.00 C ATOM 942 O ARG A 59 25.750 -18.253 8.557 1.00 0.00 O ATOM 943 CB ARG A 59 27.087 -16.265 10.649 1.00 0.00 C ATOM 944 CG ARG A 59 28.009 -15.050 10.779 1.00 0.00 C ATOM 945 CD ARG A 59 28.767 -15.148 12.095 1.00 0.00 C ATOM 946 NE ARG A 59 29.783 -14.097 12.201 1.00 0.00 N ATOM 947 CZ ARG A 59 30.556 -13.911 13.274 1.00 0.00 C ATOM 948 NH1 ARG A 59 30.440 -14.700 14.340 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.452 -12.929 13.288 1.00 0.00 N ATOM 0 H ARG A 59 25.304 -14.626 10.737 1.00 0.00 H new ATOM 0 HA ARG A 59 26.690 -15.890 8.564 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.523 -16.403 11.572 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.681 -17.167 10.501 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.707 -15.015 9.943 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.427 -14.129 10.747 1.00 0.00 H new ATOM 0 HD2 ARG A 59 28.068 -15.067 12.927 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.242 -16.126 12.172 1.00 0.00 H new ATOM 0 HE ARG A 59 29.907 -13.469 11.407 1.00 0.00 H new ATOM 0 HH11 ARG A 59 29.755 -15.456 14.343 1.00 0.00 H new ATOM 0 HH12 ARG A 59 31.036 -14.548 15.154 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.550 -12.316 12.478 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.042 -12.788 14.108 1.00 0.00 H new ATOM 963 N ALA A 60 24.102 -17.391 9.832 1.00 0.00 N ATOM 964 CA ALA A 60 23.174 -18.496 9.646 1.00 0.00 C ATOM 965 C ALA A 60 22.162 -18.195 8.536 1.00 0.00 C ATOM 966 O ALA A 60 21.437 -19.091 8.102 1.00 0.00 O ATOM 967 CB ALA A 60 22.472 -18.769 10.975 1.00 0.00 C ATOM 0 H ALA A 60 23.749 -16.659 10.449 1.00 0.00 H new ATOM 0 HA ALA A 60 23.725 -19.383 9.334 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.772 -19.595 10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.213 -19.029 11.731 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.930 -17.877 11.290 1.00 0.00 H new ATOM 973 N LEU A 61 22.106 -16.942 8.071 1.00 0.00 N ATOM 974 CA LEU A 61 21.153 -16.508 7.062 1.00 0.00 C ATOM 975 C LEU A 61 21.573 -17.013 5.687 1.00 0.00 C ATOM 976 O LEU A 61 20.737 -17.162 4.798 1.00 0.00 O ATOM 977 CB LEU A 61 21.085 -14.980 7.091 1.00 0.00 C ATOM 978 CG LEU A 61 19.903 -14.444 6.289 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.584 -14.817 6.954 1.00 0.00 C ATOM 980 CD2 LEU A 61 20.005 -12.925 6.243 1.00 0.00 C ATOM 0 H LEU A 61 22.729 -16.200 8.391 1.00 0.00 H new ATOM 0 HA LEU A 61 20.166 -16.919 7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.006 -14.640 8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 61 22.011 -14.568 6.690 1.00 0.00 H new ATOM 0 HG LEU A 61 19.929 -14.875 5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.755 -14.424 6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.502 -15.902 7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.549 -14.392 7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.168 -12.521 5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.979 -12.528 7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.941 -12.638 5.765 1.00 0.00 H new ATOM 992 N ASP A 62 22.869 -17.279 5.513 1.00 0.00 N ATOM 993 CA ASP A 62 23.377 -17.888 4.293 1.00 0.00 C ATOM 994 C ASP A 62 22.868 -19.326 4.161 1.00 0.00 C ATOM 995 O ASP A 62 23.019 -19.945 3.106 1.00 0.00 O ATOM 996 CB ASP A 62 24.904 -17.849 4.338 1.00 0.00 C ATOM 997 CG ASP A 62 25.520 -18.356 3.037 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.258 -17.724 1.987 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.249 -19.374 3.097 1.00 0.00 O ATOM 0 H ASP A 62 23.586 -17.079 6.210 1.00 0.00 H new ATOM 0 HA ASP A 62 23.023 -17.336 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.237 -16.828 4.524 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.259 -18.457 5.170 1.00 0.00 H new ATOM 1004 N SER A 63 22.263 -19.859 5.228 1.00 0.00 N ATOM 1005 CA SER A 63 21.706 -21.204 5.252 1.00 0.00 C ATOM 1006 C SER A 63 20.177 -21.187 5.252 1.00 0.00 C ATOM 1007 O SER A 63 19.547 -22.243 5.345 1.00 0.00 O ATOM 1008 CB SER A 63 22.246 -21.950 6.469 1.00 0.00 C ATOM 1009 OG SER A 63 23.659 -21.959 6.451 1.00 0.00 O ATOM 0 H SER A 63 22.148 -19.356 6.108 1.00 0.00 H new ATOM 0 HA SER A 63 22.013 -21.723 4.344 1.00 0.00 H new ATOM 0 HB2 SER A 63 21.890 -21.475 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.869 -22.973 6.474 1.00 0.00 H new ATOM 0 HG SER A 63 23.993 -22.439 7.237 1.00 0.00 H new ATOM 1015 N PHE A 64 19.569 -19.996 5.153 1.00 0.00 N ATOM 1016 CA PHE A 64 18.125 -19.843 5.115 1.00 0.00 C ATOM 1017 C PHE A 64 17.599 -20.187 3.720 1.00 0.00 C ATOM 1018 O PHE A 64 18.284 -19.955 2.722 1.00 0.00 O ATOM 1019 CB PHE A 64 17.764 -18.413 5.515 1.00 0.00 C ATOM 1020 CG PHE A 64 16.280 -18.138 5.580 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.527 -18.637 6.652 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.658 -17.386 4.578 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.150 -18.377 6.723 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.286 -17.118 4.651 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.531 -17.614 5.723 1.00 0.00 C ATOM 0 H PHE A 64 20.077 -19.113 5.097 1.00 0.00 H new ATOM 0 HA PHE A 64 17.656 -20.528 5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.204 -18.199 6.489 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.218 -17.724 4.803 1.00 0.00 H new ATOM 0 HD1 PHE A 64 16.007 -19.221 7.423 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.237 -17.012 3.747 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.568 -18.764 7.546 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.809 -16.529 3.881 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.472 -17.408 5.779 1.00 0.00 H new ATOM 1099 N PHE A 70 10.564 -15.465 8.086 1.00 0.00 N ATOM 1100 CA PHE A 70 11.830 -14.924 8.551 1.00 0.00 C ATOM 1101 C PHE A 70 11.747 -14.445 9.995 1.00 0.00 C ATOM 1102 O PHE A 70 12.729 -14.547 10.728 1.00 0.00 O ATOM 1103 CB PHE A 70 12.250 -13.760 7.654 1.00 0.00 C ATOM 1104 CG PHE A 70 13.492 -13.062 8.156 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.726 -13.725 8.142 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.406 -11.753 8.655 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.870 -13.085 8.636 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.553 -11.114 9.147 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.787 -11.779 9.138 1.00 0.00 C ATOM 0 HA PHE A 70 12.569 -15.723 8.505 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.428 -14.130 6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.433 -13.041 7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.795 -14.729 7.751 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.457 -11.238 8.660 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.819 -13.600 8.630 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.486 -10.108 9.534 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.671 -11.287 9.517 1.00 0.00 H new ATOM 1119 N TYR A 71 10.593 -13.924 10.423 1.00 0.00 N ATOM 1120 CA TYR A 71 10.486 -13.390 11.770 1.00 0.00 C ATOM 1121 C TYR A 71 10.541 -14.507 12.808 1.00 0.00 C ATOM 1122 O TYR A 71 11.090 -14.310 13.890 1.00 0.00 O ATOM 1123 CB TYR A 71 9.217 -12.545 11.904 1.00 0.00 C ATOM 1124 CG TYR A 71 7.917 -13.299 11.742 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.382 -14.009 12.827 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.245 -13.284 10.510 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.167 -14.697 12.685 1.00 0.00 C ATOM 1128 CE2 TYR A 71 6.031 -13.968 10.361 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.488 -14.679 11.453 1.00 0.00 C ATOM 1130 OH TYR A 71 4.307 -15.346 11.314 1.00 0.00 O ATOM 0 H TYR A 71 9.741 -13.864 9.865 1.00 0.00 H new ATOM 0 HA TYR A 71 11.340 -12.740 11.959 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.221 -12.067 12.884 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.251 -11.749 11.161 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.905 -14.026 13.772 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.665 -12.744 9.674 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.753 -15.240 13.522 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.512 -13.951 9.414 1.00 0.00 H new ATOM 0 HH TYR A 71 3.971 -15.230 10.401 1.00 0.00 H new ATOM 1140 N THR A 72 9.982 -15.682 12.499 1.00 0.00 N ATOM 1141 CA THR A 72 10.011 -16.801 13.433 1.00 0.00 C ATOM 1142 C THR A 72 11.405 -17.424 13.433 1.00 0.00 C ATOM 1143 O THR A 72 11.872 -17.923 14.456 1.00 0.00 O ATOM 1144 CB THR A 72 8.954 -17.837 13.035 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.678 -17.240 13.039 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.921 -19.006 14.016 1.00 0.00 C ATOM 0 H THR A 72 9.509 -15.877 11.616 1.00 0.00 H new ATOM 0 HA THR A 72 9.784 -16.448 14.439 1.00 0.00 H new ATOM 0 HB THR A 72 9.215 -18.203 12.042 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.771 -16.270 12.938 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.160 -19.722 13.704 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.895 -19.495 14.032 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.684 -18.637 15.014 1.00 0.00 H new ATOM 1154 N TRP A 73 12.076 -17.395 12.278 1.00 0.00 N ATOM 1155 CA TRP A 73 13.418 -17.929 12.141 1.00 0.00 C ATOM 1156 C TRP A 73 14.434 -17.017 12.828 1.00 0.00 C ATOM 1157 O TRP A 73 15.479 -17.489 13.273 1.00 0.00 O ATOM 1158 CB TRP A 73 13.735 -18.071 10.654 1.00 0.00 C ATOM 1159 CG TRP A 73 15.139 -18.497 10.365 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.547 -19.759 10.118 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.339 -17.669 10.298 1.00 0.00 C ATOM 1162 NE1 TRP A 73 16.908 -19.778 9.906 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.454 -18.519 10.040 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.599 -16.294 10.445 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.760 -18.031 9.969 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.909 -15.797 10.370 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.987 -16.663 10.147 1.00 0.00 C ATOM 0 H TRP A 73 11.698 -16.999 11.417 1.00 0.00 H new ATOM 0 HA TRP A 73 13.477 -18.905 12.622 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.050 -18.796 10.215 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.548 -17.117 10.161 1.00 0.00 H new ATOM 0 HD1 TRP A 73 14.903 -20.625 10.091 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.443 -20.616 9.679 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.779 -15.612 10.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.585 -18.702 9.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.088 -14.738 10.485 1.00 0.00 H new ATOM 0 HH2 TRP A 73 19.994 -16.274 10.113 1.00 0.00 H new ATOM 1178 N LEU A 74 14.141 -15.716 12.917 1.00 0.00 N ATOM 1179 CA LEU A 74 15.042 -14.754 13.536 1.00 0.00 C ATOM 1180 C LEU A 74 14.828 -14.691 15.047 1.00 0.00 C ATOM 1181 O LEU A 74 15.794 -14.547 15.795 1.00 0.00 O ATOM 1182 CB LEU A 74 14.805 -13.380 12.907 1.00 0.00 C ATOM 1183 CG LEU A 74 15.710 -12.304 13.516 1.00 0.00 C ATOM 1184 CD1 LEU A 74 17.182 -12.577 13.212 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.329 -10.942 12.951 1.00 0.00 C ATOM 0 H LEU A 74 13.276 -15.307 12.563 1.00 0.00 H new ATOM 0 HA LEU A 74 16.071 -15.068 13.364 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.983 -13.438 11.833 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.762 -13.095 13.042 1.00 0.00 H new ATOM 0 HG LEU A 74 15.573 -12.319 14.597 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.797 -11.795 13.658 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.466 -13.544 13.628 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.335 -12.587 12.133 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.972 -10.176 13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.452 -10.950 11.868 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.290 -10.724 13.196 1.00 0.00 H new ATOM 1197 N TYR A 75 13.580 -14.797 15.507 1.00 0.00 N ATOM 1198 CA TYR A 75 13.303 -14.704 16.932 1.00 0.00 C ATOM 1199 C TYR A 75 13.835 -15.912 17.696 1.00 0.00 C ATOM 1200 O TYR A 75 14.033 -15.818 18.905 1.00 0.00 O ATOM 1201 CB TYR A 75 11.803 -14.505 17.162 1.00 0.00 C ATOM 1202 CG TYR A 75 11.272 -13.168 16.685 1.00 0.00 C ATOM 1203 CD1 TYR A 75 12.093 -12.031 16.688 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.945 -13.065 16.241 1.00 0.00 C ATOM 1205 CE1 TYR A 75 11.601 -10.793 16.259 1.00 0.00 C ATOM 1206 CE2 TYR A 75 9.446 -11.832 15.792 1.00 0.00 C ATOM 1207 CZ TYR A 75 10.272 -10.691 15.797 1.00 0.00 C ATOM 1208 OH TYR A 75 9.786 -9.497 15.360 1.00 0.00 O ATOM 0 H TYR A 75 12.759 -14.945 14.920 1.00 0.00 H new ATOM 0 HA TYR A 75 13.831 -13.835 17.325 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.260 -15.301 16.653 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.594 -14.607 18.227 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.116 -12.112 17.025 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.306 -13.936 16.245 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.236 -9.920 16.282 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.427 -11.758 15.442 1.00 0.00 H new ATOM 0 HH TYR A 75 10.363 -9.149 14.648 1.00 0.00 H new ATOM 1218 N ARG A 76 14.079 -17.041 17.021 1.00 0.00 N ATOM 1219 CA ARG A 76 14.727 -18.161 17.687 1.00 0.00 C ATOM 1220 C ARG A 76 16.231 -17.915 17.804 1.00 0.00 C ATOM 1221 O ARG A 76 16.872 -18.510 18.666 1.00 0.00 O ATOM 1222 CB ARG A 76 14.404 -19.487 16.994 1.00 0.00 C ATOM 1223 CG ARG A 76 14.970 -19.554 15.575 1.00 0.00 C ATOM 1224 CD ARG A 76 14.713 -20.944 15.000 1.00 0.00 C ATOM 1225 NE ARG A 76 15.386 -21.117 13.709 1.00 0.00 N ATOM 1226 CZ ARG A 76 15.485 -22.284 13.071 1.00 0.00 C ATOM 1227 NH1 ARG A 76 14.922 -23.382 13.570 1.00 0.00 N ATOM 1228 NH2 ARG A 76 16.153 -22.362 11.925 1.00 0.00 N ATOM 0 H ARG A 76 13.843 -17.196 16.041 1.00 0.00 H new ATOM 0 HA ARG A 76 14.329 -18.239 18.699 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.808 -20.310 17.583 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.323 -19.622 16.958 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.503 -18.795 14.947 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.039 -19.344 15.586 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.065 -21.701 15.701 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.641 -21.097 14.877 1.00 0.00 H new ATOM 0 HE ARG A 76 15.804 -20.295 13.272 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.408 -23.337 14.450 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.005 -24.269 13.073 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.591 -21.529 11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.228 -23.255 11.438 1.00 0.00 H new ATOM 1242 N ILE A 77 16.804 -17.044 16.962 1.00 0.00 N ATOM 1243 CA ILE A 77 18.211 -16.695 17.102 1.00 0.00 C ATOM 1244 C ILE A 77 18.390 -15.824 18.342 1.00 0.00 C ATOM 1245 O ILE A 77 19.383 -15.952 19.051 1.00 0.00 O ATOM 1246 CB ILE A 77 18.729 -15.932 15.871 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.378 -16.593 14.532 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.248 -15.784 15.979 1.00 0.00 C ATOM 1249 CD1 ILE A 77 18.916 -18.014 14.367 1.00 0.00 C ATOM 0 H ILE A 77 16.320 -16.580 16.193 1.00 0.00 H new ATOM 0 HA ILE A 77 18.783 -17.618 17.196 1.00 0.00 H new ATOM 0 HB ILE A 77 18.230 -14.963 15.873 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.293 -16.614 14.425 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.767 -15.975 13.723 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.624 -15.244 15.110 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.496 -15.231 16.885 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.708 -16.771 16.019 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.621 -18.404 13.393 1.00 0.00 H new ATOM 0 HD12 ILE A 77 20.004 -18.002 14.439 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.508 -18.651 15.151 1.00 0.00 H new ATOM 1261 N ALA A 78 17.427 -14.936 18.608 1.00 0.00 N ATOM 1262 CA ALA A 78 17.550 -13.958 19.678 1.00 0.00 C ATOM 1263 C ALA A 78 17.411 -14.587 21.065 1.00 0.00 C ATOM 1264 O ALA A 78 18.139 -14.206 21.982 1.00 0.00 O ATOM 1265 CB ALA A 78 16.500 -12.868 19.471 1.00 0.00 C ATOM 0 H ALA A 78 16.550 -14.880 18.089 1.00 0.00 H new ATOM 0 HA ALA A 78 18.551 -13.529 19.636 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.582 -12.128 20.267 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.663 -12.384 18.508 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.505 -13.313 19.490 1.00 0.00 H new ATOM 1271 N VAL A 79 16.493 -15.546 21.235 1.00 0.00 N ATOM 1272 CA VAL A 79 16.295 -16.172 22.539 1.00 0.00 C ATOM 1273 C VAL A 79 17.364 -17.232 22.808 1.00 0.00 C ATOM 1274 O VAL A 79 17.711 -17.475 23.961 1.00 0.00 O ATOM 1275 CB VAL A 79 14.877 -16.738 22.639 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.623 -17.821 21.592 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.641 -17.343 24.023 1.00 0.00 C ATOM 0 H VAL A 79 15.886 -15.899 20.495 1.00 0.00 H new ATOM 0 HA VAL A 79 16.405 -15.416 23.316 1.00 0.00 H new ATOM 0 HB VAL A 79 14.192 -15.908 22.464 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.605 -18.197 21.697 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.754 -17.401 20.595 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.329 -18.639 21.736 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.628 -17.741 24.078 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.357 -18.147 24.196 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.770 -16.573 24.784 1.00 0.00 H new ATOM 1287 N ASN A 80 17.896 -17.865 21.755 1.00 0.00 N ATOM 1288 CA ASN A 80 18.954 -18.848 21.926 1.00 0.00 C ATOM 1289 C ASN A 80 20.289 -18.155 22.198 1.00 0.00 C ATOM 1290 O ASN A 80 21.187 -18.753 22.787 1.00 0.00 O ATOM 1291 CB ASN A 80 19.028 -19.745 20.684 1.00 0.00 C ATOM 1292 CG ASN A 80 17.819 -20.669 20.569 1.00 0.00 C ATOM 1293 OD1 ASN A 80 17.015 -20.775 21.494 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.678 -21.344 19.435 1.00 0.00 N ATOM 0 H ASN A 80 17.610 -17.711 20.788 1.00 0.00 H new ATOM 0 HA ASN A 80 18.730 -19.475 22.789 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.094 -19.123 19.792 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.938 -20.343 20.723 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.885 -21.973 19.311 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.363 -21.233 18.687 1.00 0.00 H new ATOM 1301 N THR A 81 20.431 -16.892 21.778 1.00 0.00 N ATOM 1302 CA THR A 81 21.632 -16.120 22.069 1.00 0.00 C ATOM 1303 C THR A 81 21.567 -15.571 23.491 1.00 0.00 C ATOM 1304 O THR A 81 22.602 -15.378 24.122 1.00 0.00 O ATOM 1305 CB THR A 81 21.788 -14.989 21.048 1.00 0.00 C ATOM 1306 OG1 THR A 81 21.882 -15.536 19.752 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.061 -14.187 21.304 1.00 0.00 C ATOM 0 H THR A 81 19.727 -16.389 21.237 1.00 0.00 H new ATOM 0 HA THR A 81 22.505 -16.769 21.994 1.00 0.00 H new ATOM 0 HB THR A 81 20.920 -14.336 21.140 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.053 -16.012 19.537 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.145 -13.391 20.564 1.00 0.00 H new ATOM 0 HG22 THR A 81 23.022 -13.751 22.302 1.00 0.00 H new ATOM 0 HG23 THR A 81 23.927 -14.845 21.229 1.00 0.00 H new ATOM 1315 N ALA A 82 20.359 -15.319 24.005 1.00 0.00 N ATOM 1316 CA ALA A 82 20.198 -14.794 25.352 1.00 0.00 C ATOM 1317 C ALA A 82 20.438 -15.877 26.399 1.00 0.00 C ATOM 1318 O ALA A 82 20.943 -15.591 27.484 1.00 0.00 O ATOM 1319 CB ALA A 82 18.795 -14.209 25.486 1.00 0.00 C ATOM 0 H ALA A 82 19.484 -15.472 23.504 1.00 0.00 H new ATOM 0 HA ALA A 82 20.938 -14.013 25.524 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.661 -13.812 26.492 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.664 -13.408 24.759 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.056 -14.989 25.303 1.00 0.00 H new ATOM 1325 N LYS A 83 20.085 -17.128 26.088 1.00 0.00 N ATOM 1326 CA LYS A 83 20.342 -18.239 26.996 1.00 0.00 C ATOM 1327 C LYS A 83 21.816 -18.617 26.950 1.00 0.00 C ATOM 1328 O LYS A 83 22.357 -19.105 27.939 1.00 0.00 O ATOM 1329 CB LYS A 83 19.434 -19.416 26.630 1.00 0.00 C ATOM 1330 CG LYS A 83 17.981 -19.071 26.971 1.00 0.00 C ATOM 1331 CD LYS A 83 17.050 -20.199 26.534 1.00 0.00 C ATOM 1332 CE LYS A 83 15.600 -19.888 26.921 1.00 0.00 C ATOM 1333 NZ LYS A 83 15.423 -19.877 28.386 1.00 0.00 N ATOM 0 H LYS A 83 19.623 -17.391 25.218 1.00 0.00 H new ATOM 0 HA LYS A 83 20.114 -17.946 28.021 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.525 -19.641 25.567 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.743 -20.309 27.173 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.882 -18.904 28.044 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.695 -18.143 26.476 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.121 -20.338 25.455 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.362 -21.135 26.998 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.312 -18.920 26.511 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.937 -20.631 26.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.408 -19.902 28.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.890 -20.709 28.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.845 -19.012 28.780 1.00 0.00 H new ATOM 1347 N ASN A 84 22.470 -18.384 25.808 1.00 0.00 N ATOM 1348 CA ASN A 84 23.902 -18.595 25.681 1.00 0.00 C ATOM 1349 C ASN A 84 24.663 -17.451 26.359 1.00 0.00 C ATOM 1350 O ASN A 84 25.824 -17.602 26.733 1.00 0.00 O ATOM 1351 CB ASN A 84 24.258 -18.680 24.196 1.00 0.00 C ATOM 1352 CG ASN A 84 25.706 -19.090 23.972 1.00 0.00 C ATOM 1353 OD1 ASN A 84 26.305 -19.784 24.789 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.279 -18.664 22.852 1.00 0.00 N ATOM 0 H ASN A 84 22.020 -18.047 24.957 1.00 0.00 H new ATOM 0 HA ASN A 84 24.187 -19.526 26.172 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.600 -19.398 23.707 1.00 0.00 H new ATOM 0 HB3 ASN A 84 24.080 -17.713 23.726 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.247 -18.912 22.648 1.00 0.00 H new ATOM 0 HD22 ASN A 84 25.751 -18.089 22.196 1.00 0.00 H new