USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 849 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 78 ASN : amide:sc= -1.74 K(o=-6,f=-2.7) USER MOD Set 1.2: A 92 ASN : amide:sc= -4.27! K(o=-6!,f=-2.7) USER MOD Set 2.1: A 28 THR OG1 : rot 107:sc= 0.347 USER MOD Set 2.2: A 59 GLN : amide:sc= 0.377 K(o=0.72,f=-0.004) USER MOD Set 3.1: A 16 TYR OH : rot 90:sc= -0.151 USER MOD Set 3.2: A 21 LYS NZ :NH3+ 170:sc= 0.422 (180deg=0.339) USER MOD Set 4.1: A 14 MET CE :methyl 168:sc= -0.397 (180deg=-0.0918) USER MOD Set 4.2: A 31 GLN : amide:sc= -0.567 X(o=-0.96,f=-0.55) USER MOD Set 5.1: A 8 SER OG : rot 160:sc= 0.601 USER MOD Set 5.2: A 37 GLN : amide:sc= -1.18! K(o=-0.58!,f=0.67) USER MOD Set 6.1: A 7 CYS SG : rot 140:sc= -1.73 USER MOD Set 6.2: A 101 GLN : amide:sc= -4.26! K(o=-6!,f=-1.5) USER MOD Single : A 4 THR OG1 : rot 30:sc= 0.0366 USER MOD Single : A 9 SER OG : rot -126:sc= -2.27 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 34 SER OG : rot 29:sc= -0.503 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-1.3) USER MOD Single : A 41 ASN : amide:sc= -1.45 K(o=-1.5,f=-10!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.15) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= -0.286 (180deg=-1.46!) USER MOD Single : A 54 MET CE :methyl -170:sc= -2.44 (180deg=-2.87) USER MOD Single : A 55 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.21) USER MOD Single : A 58 GLN : amide:sc=-0.00303 X(o=-0.003,f=-0.11) USER MOD Single : A 63 ASN : amide:sc= -1.67 K(o=-1.7,f=-5.1!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -123:sc= -0.69! USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.014) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 80 HIS : no HE2:sc= -9.29! C(o=-9.3!,f=-10!) USER MOD Single : A 81 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.18) USER MOD Single : A 87 GLN : amide:sc= -2.02 K(o=-2,f=-1.3) USER MOD Single : A 95 SER OG : rot 180:sc= 0.123 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -117:sc= -11.3! (180deg=-19!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 12.464 9.004 4.034 1.00 0.00 N ATOM 47 CA THR A 4 12.328 9.662 2.739 1.00 0.00 C ATOM 48 C THR A 4 11.242 8.993 1.901 1.00 0.00 C ATOM 49 O THR A 4 11.392 7.847 1.476 1.00 0.00 O ATOM 50 CB THR A 4 13.663 9.633 1.991 1.00 0.00 C ATOM 51 OG1 THR A 4 14.651 10.360 2.700 1.00 0.00 O ATOM 52 CG2 THR A 4 13.586 10.211 0.593 1.00 0.00 C ATOM 0 HA THR A 4 12.038 10.699 2.910 1.00 0.00 H new ATOM 0 HB THR A 4 13.924 8.577 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.461 10.318 3.661 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.568 10.158 0.123 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.869 9.640 0.002 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.265 11.251 0.647 1.00 0.00 H new ATOM 60 N VAL A 5 10.150 9.715 1.667 1.00 0.00 N ATOM 61 CA VAL A 5 9.042 9.189 0.877 1.00 0.00 C ATOM 62 C VAL A 5 9.516 8.777 -0.516 1.00 0.00 C ATOM 63 O VAL A 5 10.441 9.372 -1.068 1.00 0.00 O ATOM 64 CB VAL A 5 7.901 10.225 0.751 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.951 9.864 -0.383 1.00 0.00 C ATOM 66 CG2 VAL A 5 7.141 10.338 2.064 1.00 0.00 C ATOM 0 H VAL A 5 10.009 10.664 2.013 1.00 0.00 H new ATOM 0 HA VAL A 5 8.659 8.311 1.398 1.00 0.00 H new ATOM 0 HB VAL A 5 8.348 11.191 0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.160 10.611 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.501 9.837 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.511 8.885 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.341 11.071 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.714 9.369 2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.823 10.655 2.853 1.00 0.00 H new ATOM 76 N ILE A 6 8.880 7.751 -1.075 1.00 0.00 N ATOM 77 CA ILE A 6 9.246 7.262 -2.400 1.00 0.00 C ATOM 78 C ILE A 6 8.279 7.756 -3.473 1.00 0.00 C ATOM 79 O ILE A 6 8.654 8.544 -4.340 1.00 0.00 O ATOM 80 CB ILE A 6 9.296 5.721 -2.452 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.693 5.142 -1.089 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.267 5.272 -3.532 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.277 3.745 -1.157 1.00 0.00 C ATOM 0 H ILE A 6 8.113 7.245 -0.633 1.00 0.00 H new ATOM 0 HA ILE A 6 10.241 7.659 -2.600 1.00 0.00 H new ATOM 0 HB ILE A 6 8.302 5.347 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.420 5.806 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.815 5.126 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.298 4.183 -3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.938 5.654 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.262 5.657 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.532 3.408 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.545 3.065 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.175 3.756 -1.775 1.00 0.00 H new ATOM 95 N CYS A 7 7.038 7.279 -3.420 1.00 0.00 N ATOM 96 CA CYS A 7 6.032 7.668 -4.403 1.00 0.00 C ATOM 97 C CYS A 7 4.684 7.944 -3.746 1.00 0.00 C ATOM 98 O CYS A 7 4.557 7.892 -2.522 1.00 0.00 O ATOM 99 CB CYS A 7 5.885 6.575 -5.462 1.00 0.00 C ATOM 100 SG CYS A 7 6.106 7.162 -7.157 1.00 0.00 S ATOM 0 H CYS A 7 6.706 6.626 -2.710 1.00 0.00 H new ATOM 0 HA CYS A 7 6.367 8.590 -4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.613 5.789 -5.262 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.897 6.124 -5.370 1.00 0.00 H new ATOM 0 HG CYS A 7 6.782 6.284 -7.836 1.00 0.00 H new ATOM 106 N SER A 8 3.682 8.242 -4.574 1.00 0.00 N ATOM 107 CA SER A 8 2.334 8.535 -4.084 1.00 0.00 C ATOM 108 C SER A 8 1.279 8.182 -5.128 1.00 0.00 C ATOM 109 O SER A 8 1.325 8.671 -6.257 1.00 0.00 O ATOM 110 CB SER A 8 2.213 10.019 -3.724 1.00 0.00 C ATOM 111 OG SER A 8 3.460 10.680 -3.847 1.00 0.00 O ATOM 0 H SER A 8 3.778 8.287 -5.588 1.00 0.00 H new ATOM 0 HA SER A 8 2.164 7.926 -3.196 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.480 10.495 -4.376 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.845 10.119 -2.703 1.00 0.00 H new ATOM 0 HG SER A 8 3.312 11.645 -3.930 1.00 0.00 H new ATOM 117 N SER A 9 0.323 7.339 -4.747 1.00 0.00 N ATOM 118 CA SER A 9 -0.740 6.939 -5.663 1.00 0.00 C ATOM 119 C SER A 9 -2.114 7.012 -4.997 1.00 0.00 C ATOM 120 O SER A 9 -2.242 6.800 -3.790 1.00 0.00 O ATOM 121 CB SER A 9 -0.487 5.522 -6.172 1.00 0.00 C ATOM 122 OG SER A 9 -1.633 4.997 -6.818 1.00 0.00 O ATOM 0 H SER A 9 0.263 6.923 -3.818 1.00 0.00 H new ATOM 0 HA SER A 9 -0.735 7.635 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.354 5.527 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.209 4.877 -5.338 1.00 0.00 H new ATOM 0 HG SER A 9 -1.866 4.132 -6.420 1.00 0.00 H new ATOM 128 N ARG A 10 -3.141 7.299 -5.796 1.00 0.00 N ATOM 129 CA ARG A 10 -4.508 7.386 -5.291 1.00 0.00 C ATOM 130 C ARG A 10 -5.213 6.045 -5.462 1.00 0.00 C ATOM 131 O ARG A 10 -5.231 5.473 -6.555 1.00 0.00 O ATOM 132 CB ARG A 10 -5.287 8.482 -6.022 1.00 0.00 C ATOM 133 CG ARG A 10 -6.404 9.090 -5.189 1.00 0.00 C ATOM 134 CD ARG A 10 -7.578 9.523 -6.054 1.00 0.00 C ATOM 135 NE ARG A 10 -7.153 10.336 -7.192 1.00 0.00 N ATOM 136 CZ ARG A 10 -6.965 9.861 -8.423 1.00 0.00 C ATOM 137 NH1 ARG A 10 -7.143 8.571 -8.685 1.00 0.00 N ATOM 138 NH2 ARG A 10 -6.591 10.681 -9.397 1.00 0.00 N ATOM 0 H ARG A 10 -3.051 7.475 -6.797 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.468 7.639 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.596 9.271 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.711 8.067 -6.937 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.744 8.364 -4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.021 9.949 -4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.105 8.641 -6.416 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.284 10.090 -5.448 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.990 11.330 -7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.426 7.934 -7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.996 8.218 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.448 11.672 -9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.446 10.320 -10.340 1.00 0.00 H new ATOM 152 N ALA A 11 -5.784 5.536 -4.376 1.00 0.00 N ATOM 153 CA ALA A 11 -6.465 4.251 -4.417 1.00 0.00 C ATOM 154 C ALA A 11 -7.258 4.002 -3.141 1.00 0.00 C ATOM 155 O ALA A 11 -7.320 4.855 -2.260 1.00 0.00 O ATOM 156 CB ALA A 11 -5.447 3.142 -4.623 1.00 0.00 C ATOM 0 H ALA A 11 -5.788 5.991 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.169 4.263 -5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.958 2.180 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.919 3.303 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.732 3.147 -3.800 1.00 0.00 H new ATOM 162 N THR A 12 -7.853 2.820 -3.048 1.00 0.00 N ATOM 163 CA THR A 12 -8.634 2.448 -1.877 1.00 0.00 C ATOM 164 C THR A 12 -8.022 1.232 -1.194 1.00 0.00 C ATOM 165 O THR A 12 -8.328 0.093 -1.546 1.00 0.00 O ATOM 166 CB THR A 12 -10.081 2.151 -2.273 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.558 3.119 -3.191 1.00 0.00 O ATOM 168 CG2 THR A 12 -11.030 2.129 -1.094 1.00 0.00 C ATOM 0 H THR A 12 -7.809 2.102 -3.771 1.00 0.00 H new ATOM 0 HA THR A 12 -8.625 3.285 -1.179 1.00 0.00 H new ATOM 0 HB THR A 12 -10.061 1.158 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.485 2.911 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.040 1.913 -1.444 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.717 1.358 -0.390 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.018 3.100 -0.599 1.00 0.00 H new ATOM 176 N VAL A 13 -7.150 1.481 -0.220 1.00 0.00 N ATOM 177 CA VAL A 13 -6.486 0.405 0.511 1.00 0.00 C ATOM 178 C VAL A 13 -7.476 -0.691 0.895 1.00 0.00 C ATOM 179 O VAL A 13 -8.677 -0.449 1.011 1.00 0.00 O ATOM 180 CB VAL A 13 -5.775 0.941 1.773 1.00 0.00 C ATOM 181 CG1 VAL A 13 -5.315 -0.201 2.671 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.596 1.817 1.377 1.00 0.00 C ATOM 0 H VAL A 13 -6.887 2.419 0.081 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.735 -0.022 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.488 1.543 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.818 0.206 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.178 -0.790 2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.620 -0.837 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.102 2.190 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.889 1.231 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.952 2.659 0.783 1.00 0.00 H new ATOM 192 N MET A 14 -6.961 -1.902 1.074 1.00 0.00 N ATOM 193 CA MET A 14 -7.796 -3.042 1.425 1.00 0.00 C ATOM 194 C MET A 14 -6.998 -4.085 2.202 1.00 0.00 C ATOM 195 O MET A 14 -5.823 -4.313 1.924 1.00 0.00 O ATOM 196 CB MET A 14 -8.381 -3.677 0.157 1.00 0.00 C ATOM 197 CG MET A 14 -9.720 -4.357 0.385 1.00 0.00 C ATOM 198 SD MET A 14 -10.810 -4.236 -1.046 1.00 0.00 S ATOM 199 CE MET A 14 -12.352 -3.779 -0.256 1.00 0.00 C ATOM 0 H MET A 14 -5.969 -2.119 0.982 1.00 0.00 H new ATOM 0 HA MET A 14 -8.608 -2.685 2.059 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.498 -2.907 -0.605 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.673 -4.407 -0.234 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.554 -5.408 0.623 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.209 -3.908 1.249 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.068 -3.460 -1.013 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.753 -4.637 0.284 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.175 -2.962 0.443 1.00 0.00 H new ATOM 209 N LEU A 15 -7.649 -4.720 3.171 1.00 0.00 N ATOM 210 CA LEU A 15 -7.006 -5.748 3.984 1.00 0.00 C ATOM 211 C LEU A 15 -7.751 -7.073 3.849 1.00 0.00 C ATOM 212 O LEU A 15 -8.906 -7.188 4.257 1.00 0.00 O ATOM 213 CB LEU A 15 -6.953 -5.317 5.453 1.00 0.00 C ATOM 214 CG LEU A 15 -5.584 -4.837 5.944 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.602 -4.621 7.448 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.499 -5.833 5.562 1.00 0.00 C ATOM 0 H LEU A 15 -8.623 -4.541 3.413 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.985 -5.882 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.677 -4.517 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.269 -6.156 6.073 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.362 -3.885 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.621 -4.280 7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.351 -3.869 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.848 -5.558 7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.534 -5.474 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.717 -6.800 6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.468 -5.939 4.478 1.00 0.00 H new ATOM 228 N TYR A 16 -7.088 -8.067 3.265 1.00 0.00 N ATOM 229 CA TYR A 16 -7.700 -9.376 3.066 1.00 0.00 C ATOM 230 C TYR A 16 -7.834 -10.141 4.376 1.00 0.00 C ATOM 231 O TYR A 16 -7.045 -9.960 5.302 1.00 0.00 O ATOM 232 CB TYR A 16 -6.890 -10.205 2.070 1.00 0.00 C ATOM 233 CG TYR A 16 -7.697 -11.292 1.400 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.419 -11.032 0.244 1.00 0.00 C ATOM 235 CD2 TYR A 16 -7.743 -12.575 1.931 1.00 0.00 C ATOM 236 CE1 TYR A 16 -9.166 -12.020 -0.369 1.00 0.00 C ATOM 237 CE2 TYR A 16 -8.485 -13.571 1.325 1.00 0.00 C ATOM 238 CZ TYR A 16 -9.195 -13.288 0.175 1.00 0.00 C ATOM 239 OH TYR A 16 -9.936 -14.277 -0.433 1.00 0.00 O ATOM 0 H TYR A 16 -6.130 -7.991 2.922 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.699 -9.205 2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.480 -9.544 1.307 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.044 -10.657 2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.397 -10.041 -0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.190 -12.798 2.832 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.723 -11.801 -1.268 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.509 -14.564 1.748 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.379 -14.747 -1.088 1.00 0.00 H new ATOM 249 N ASP A 17 -8.838 -11.009 4.431 1.00 0.00 N ATOM 250 CA ASP A 17 -9.087 -11.825 5.612 1.00 0.00 C ATOM 251 C ASP A 17 -9.066 -13.307 5.246 1.00 0.00 C ATOM 252 O ASP A 17 -10.105 -13.898 4.952 1.00 0.00 O ATOM 253 CB ASP A 17 -10.430 -11.454 6.243 1.00 0.00 C ATOM 254 CG ASP A 17 -10.314 -11.173 7.729 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.713 -10.140 8.092 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.821 -11.987 8.528 1.00 0.00 O ATOM 0 H ASP A 17 -9.495 -11.166 3.667 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.297 -11.634 6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.834 -10.575 5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.139 -12.266 6.084 1.00 0.00 H new ATOM 261 N ASP A 18 -7.873 -13.897 5.260 1.00 0.00 N ATOM 262 CA ASP A 18 -7.707 -15.309 4.923 1.00 0.00 C ATOM 263 C ASP A 18 -8.652 -16.191 5.736 1.00 0.00 C ATOM 264 O ASP A 18 -8.982 -17.304 5.326 1.00 0.00 O ATOM 265 CB ASP A 18 -6.259 -15.742 5.158 1.00 0.00 C ATOM 266 CG ASP A 18 -5.854 -15.639 6.615 1.00 0.00 C ATOM 267 OD1 ASP A 18 -6.165 -16.573 7.385 1.00 0.00 O ATOM 268 OD2 ASP A 18 -5.226 -14.625 6.987 1.00 0.00 O ATOM 0 H ASP A 18 -7.005 -13.418 5.502 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.954 -15.431 3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.131 -16.770 4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.595 -15.123 4.555 1.00 0.00 H new ATOM 273 N GLY A 19 -9.086 -15.689 6.887 1.00 0.00 N ATOM 274 CA GLY A 19 -9.989 -16.447 7.736 1.00 0.00 C ATOM 275 C GLY A 19 -11.250 -16.864 7.006 1.00 0.00 C ATOM 276 O GLY A 19 -11.714 -17.995 7.147 1.00 0.00 O ATOM 0 H GLY A 19 -8.829 -14.770 7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.476 -17.334 8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.257 -15.847 8.605 1.00 0.00 H new ATOM 280 N ASN A 20 -11.801 -15.948 6.217 1.00 0.00 N ATOM 281 CA ASN A 20 -13.011 -16.220 5.451 1.00 0.00 C ATOM 282 C ASN A 20 -12.803 -15.894 3.974 1.00 0.00 C ATOM 283 O ASN A 20 -13.763 -15.776 3.214 1.00 0.00 O ATOM 284 CB ASN A 20 -14.181 -15.407 6.006 1.00 0.00 C ATOM 285 CG ASN A 20 -14.704 -15.965 7.314 1.00 0.00 C ATOM 286 OD1 ASN A 20 -15.768 -16.582 7.359 1.00 0.00 O ATOM 287 ND2 ASN A 20 -13.955 -15.750 8.390 1.00 0.00 N ATOM 0 H ASN A 20 -11.427 -15.007 6.091 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.240 -17.282 5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.864 -14.375 6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.988 -15.390 5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.255 -16.102 9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.080 -15.233 8.307 1.00 0.00 H new ATOM 294 N LYS A 21 -11.540 -15.746 3.575 1.00 0.00 N ATOM 295 CA LYS A 21 -11.198 -15.429 2.192 1.00 0.00 C ATOM 296 C LYS A 21 -12.058 -14.286 1.662 1.00 0.00 C ATOM 297 O LYS A 21 -13.076 -14.512 1.008 1.00 0.00 O ATOM 298 CB LYS A 21 -11.362 -16.662 1.306 1.00 0.00 C ATOM 299 CG LYS A 21 -10.198 -17.637 1.400 1.00 0.00 C ATOM 300 CD LYS A 21 -9.405 -17.692 0.105 1.00 0.00 C ATOM 301 CE LYS A 21 -7.908 -17.763 0.368 1.00 0.00 C ATOM 302 NZ LYS A 21 -7.222 -16.485 0.031 1.00 0.00 N ATOM 0 H LYS A 21 -10.735 -15.841 4.194 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.155 -15.112 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.281 -17.178 1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.475 -16.343 0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.540 -17.341 2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.575 -18.632 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.715 -18.561 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.628 -16.811 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.735 -18.002 1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.475 -18.573 -0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.243 -16.514 0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.219 -16.354 -1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.725 -15.692 0.479 1.00 0.00 H new ATOM 316 N ARG A 22 -11.643 -13.058 1.954 1.00 0.00 N ATOM 317 CA ARG A 22 -12.376 -11.879 1.513 1.00 0.00 C ATOM 318 C ARG A 22 -11.645 -10.604 1.918 1.00 0.00 C ATOM 319 O ARG A 22 -10.945 -10.574 2.930 1.00 0.00 O ATOM 320 CB ARG A 22 -13.784 -11.882 2.108 1.00 0.00 C ATOM 321 CG ARG A 22 -13.824 -12.289 3.574 1.00 0.00 C ATOM 322 CD ARG A 22 -14.430 -11.199 4.443 1.00 0.00 C ATOM 323 NE ARG A 22 -14.958 -11.729 5.698 1.00 0.00 N ATOM 324 CZ ARG A 22 -16.137 -12.336 5.810 1.00 0.00 C ATOM 325 NH1 ARG A 22 -16.913 -12.494 4.745 1.00 0.00 N ATOM 326 NH2 ARG A 22 -16.541 -12.786 6.990 1.00 0.00 N ATOM 0 H ARG A 22 -10.802 -12.854 2.495 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.446 -11.907 0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.216 -10.887 2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.411 -12.563 1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.404 -13.205 3.682 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.814 -12.509 3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.673 -10.444 4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.230 -10.701 3.895 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.389 -11.628 6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.607 -12.149 3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.816 -12.960 4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.948 -12.667 7.811 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.445 -13.251 7.076 1.00 0.00 H new ATOM 340 N TRP A 23 -11.812 -9.552 1.123 1.00 0.00 N ATOM 341 CA TRP A 23 -11.168 -8.275 1.405 1.00 0.00 C ATOM 342 C TRP A 23 -11.779 -7.623 2.641 1.00 0.00 C ATOM 343 O TRP A 23 -12.816 -8.062 3.141 1.00 0.00 O ATOM 344 CB TRP A 23 -11.293 -7.336 0.206 1.00 0.00 C ATOM 345 CG TRP A 23 -10.229 -7.542 -0.830 1.00 0.00 C ATOM 346 CD1 TRP A 23 -10.421 -7.788 -2.157 1.00 0.00 C ATOM 347 CD2 TRP A 23 -8.810 -7.519 -0.629 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.212 -7.933 -2.792 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.208 -7.769 -1.877 1.00 0.00 C ATOM 350 CE3 TRP A 23 -7.990 -7.314 0.482 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -6.826 -7.821 -2.042 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.619 -7.363 0.317 1.00 0.00 C ATOM 353 CH2 TRP A 23 -6.049 -7.615 -0.935 1.00 0.00 C ATOM 0 H TRP A 23 -12.387 -9.559 0.280 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.112 -8.465 1.597 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.270 -7.477 -0.256 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.252 -6.305 0.557 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.385 -7.859 -2.639 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -9.083 -8.131 -3.784 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.420 -7.120 1.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.384 -8.017 -3.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.976 -7.204 1.170 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.974 -7.648 -1.030 1.00 0.00 H new ATOM 364 N LEU A 24 -11.130 -6.573 3.128 1.00 0.00 N ATOM 365 CA LEU A 24 -11.605 -5.854 4.304 1.00 0.00 C ATOM 366 C LEU A 24 -10.896 -4.506 4.430 1.00 0.00 C ATOM 367 O LEU A 24 -9.687 -4.456 4.651 1.00 0.00 O ATOM 368 CB LEU A 24 -11.373 -6.692 5.565 1.00 0.00 C ATOM 369 CG LEU A 24 -12.643 -7.103 6.313 1.00 0.00 C ATOM 370 CD1 LEU A 24 -12.292 -7.881 7.571 1.00 0.00 C ATOM 371 CD2 LEU A 24 -13.478 -5.879 6.657 1.00 0.00 C ATOM 0 H LEU A 24 -10.271 -6.199 2.726 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.674 -5.674 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.825 -7.593 5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.736 -6.128 6.246 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.232 -7.749 5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.207 -8.165 8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.735 -8.778 7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.682 -7.258 8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.377 -6.190 7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.897 -5.208 7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.759 -5.361 5.740 1.00 0.00 H new ATOM 383 N PRO A 25 -11.637 -3.390 4.288 1.00 0.00 N ATOM 384 CA PRO A 25 -11.066 -2.043 4.382 1.00 0.00 C ATOM 385 C PRO A 25 -10.053 -1.908 5.516 1.00 0.00 C ATOM 386 O PRO A 25 -10.424 -1.764 6.681 1.00 0.00 O ATOM 387 CB PRO A 25 -12.292 -1.176 4.650 1.00 0.00 C ATOM 388 CG PRO A 25 -13.404 -1.878 3.948 1.00 0.00 C ATOM 389 CD PRO A 25 -13.089 -3.351 4.023 1.00 0.00 C ATOM 0 HA PRO A 25 -10.510 -1.768 3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.490 -1.087 5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.155 -0.165 4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.361 -1.661 4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.479 -1.549 2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.653 -3.840 4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.339 -3.861 3.093 1.00 0.00 H new ATOM 397 N ALA A 26 -8.769 -1.958 5.162 1.00 0.00 N ATOM 398 CA ALA A 26 -7.692 -1.842 6.143 1.00 0.00 C ATOM 399 C ALA A 26 -7.951 -0.706 7.127 1.00 0.00 C ATOM 400 O ALA A 26 -7.760 -0.858 8.333 1.00 0.00 O ATOM 401 CB ALA A 26 -6.360 -1.633 5.437 1.00 0.00 C ATOM 0 H ALA A 26 -8.450 -2.078 4.201 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.655 -2.772 6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.565 -1.548 6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.158 -2.481 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.402 -0.720 4.844 1.00 0.00 H new ATOM 407 N GLY A 27 -8.388 0.431 6.599 1.00 0.00 N ATOM 408 CA GLY A 27 -8.671 1.581 7.438 1.00 0.00 C ATOM 409 C GLY A 27 -9.671 1.270 8.535 1.00 0.00 C ATOM 410 O GLY A 27 -9.288 0.940 9.657 1.00 0.00 O ATOM 0 H GLY A 27 -8.552 0.578 5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.743 1.936 7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.056 2.392 6.819 1.00 0.00 H new ATOM 414 N THR A 28 -10.955 1.373 8.210 1.00 0.00 N ATOM 415 CA THR A 28 -12.012 1.100 9.177 1.00 0.00 C ATOM 416 C THR A 28 -13.284 0.625 8.480 1.00 0.00 C ATOM 417 O THR A 28 -13.560 -0.574 8.422 1.00 0.00 O ATOM 418 CB THR A 28 -12.304 2.347 10.015 1.00 0.00 C ATOM 419 OG1 THR A 28 -11.838 3.514 9.358 1.00 0.00 O ATOM 420 CG2 THR A 28 -11.667 2.308 11.387 1.00 0.00 C ATOM 0 H THR A 28 -11.289 1.643 7.285 1.00 0.00 H new ATOM 0 HA THR A 28 -11.667 0.304 9.837 1.00 0.00 H new ATOM 0 HB THR A 28 -13.387 2.367 10.135 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.601 4.020 9.009 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.913 3.221 11.929 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.043 1.446 11.939 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.585 2.228 11.284 1.00 0.00 H new ATOM 428 N GLY A 29 -14.054 1.570 7.957 1.00 0.00 N ATOM 429 CA GLY A 29 -15.289 1.229 7.274 1.00 0.00 C ATOM 430 C GLY A 29 -15.399 1.884 5.908 1.00 0.00 C ATOM 431 O GLY A 29 -15.320 1.204 4.886 1.00 0.00 O ATOM 0 H GLY A 29 -13.846 2.568 7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.350 0.147 7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.136 1.534 7.889 1.00 0.00 H new ATOM 435 N PRO A 30 -15.583 3.214 5.861 1.00 0.00 N ATOM 436 CA PRO A 30 -15.703 3.950 4.598 1.00 0.00 C ATOM 437 C PRO A 30 -14.589 3.604 3.617 1.00 0.00 C ATOM 438 O PRO A 30 -13.623 2.928 3.972 1.00 0.00 O ATOM 439 CB PRO A 30 -15.599 5.413 5.032 1.00 0.00 C ATOM 440 CG PRO A 30 -16.095 5.425 6.436 1.00 0.00 C ATOM 441 CD PRO A 30 -15.688 4.105 7.033 1.00 0.00 C ATOM 0 HA PRO A 30 -16.627 3.711 4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.572 5.772 4.972 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.201 6.060 4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.663 6.255 6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.177 5.549 6.466 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.740 4.181 7.566 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.427 3.743 7.748 1.00 0.00 H new ATOM 449 N GLN A 31 -14.728 4.070 2.380 1.00 0.00 N ATOM 450 CA GLN A 31 -13.730 3.806 1.350 1.00 0.00 C ATOM 451 C GLN A 31 -13.654 4.959 0.353 1.00 0.00 C ATOM 452 O GLN A 31 -13.929 4.788 -0.835 1.00 0.00 O ATOM 453 CB GLN A 31 -14.054 2.499 0.621 1.00 0.00 C ATOM 454 CG GLN A 31 -13.337 1.288 1.196 1.00 0.00 C ATOM 455 CD GLN A 31 -13.902 -0.021 0.685 1.00 0.00 C ATOM 456 OE1 GLN A 31 -14.959 -0.470 1.129 1.00 0.00 O ATOM 457 NE2 GLN A 31 -13.198 -0.643 -0.254 1.00 0.00 N ATOM 0 H GLN A 31 -15.520 4.631 2.067 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.759 3.711 1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.130 2.327 0.661 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.787 2.603 -0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.278 1.345 0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.409 1.310 2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.327 -0.234 -0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.528 -1.529 -0.636 1.00 0.00 H new ATOM 466 N ALA A 32 -13.269 6.132 0.843 1.00 0.00 N ATOM 467 CA ALA A 32 -13.146 7.312 -0.004 1.00 0.00 C ATOM 468 C ALA A 32 -11.720 7.457 -0.521 1.00 0.00 C ATOM 469 O ALA A 32 -11.124 8.531 -0.444 1.00 0.00 O ATOM 470 CB ALA A 32 -13.564 8.558 0.764 1.00 0.00 C ATOM 0 H ALA A 32 -13.037 6.291 1.823 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.809 7.192 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.467 9.432 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.601 8.457 1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.924 8.679 1.638 1.00 0.00 H new ATOM 476 N PHE A 33 -11.174 6.361 -1.038 1.00 0.00 N ATOM 477 CA PHE A 33 -9.812 6.354 -1.560 1.00 0.00 C ATOM 478 C PHE A 33 -8.826 6.816 -0.497 1.00 0.00 C ATOM 479 O PHE A 33 -9.207 7.100 0.639 1.00 0.00 O ATOM 480 CB PHE A 33 -9.695 7.249 -2.794 1.00 0.00 C ATOM 481 CG PHE A 33 -10.244 6.623 -4.040 1.00 0.00 C ATOM 482 CD1 PHE A 33 -11.579 6.770 -4.380 1.00 0.00 C ATOM 483 CD2 PHE A 33 -9.421 5.887 -4.873 1.00 0.00 C ATOM 484 CE1 PHE A 33 -12.081 6.191 -5.529 1.00 0.00 C ATOM 485 CE2 PHE A 33 -9.916 5.306 -6.023 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.249 5.458 -6.352 1.00 0.00 C ATOM 0 H PHE A 33 -11.655 5.464 -1.107 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.572 5.330 -1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.220 8.185 -2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.646 7.499 -2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.234 7.343 -3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.378 5.765 -4.620 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -13.124 6.311 -5.784 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.262 4.734 -6.664 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.640 5.005 -7.251 1.00 0.00 H new ATOM 496 N SER A 34 -7.559 6.888 -0.874 1.00 0.00 N ATOM 497 CA SER A 34 -6.517 7.313 0.048 1.00 0.00 C ATOM 498 C SER A 34 -5.202 7.537 -0.686 1.00 0.00 C ATOM 499 O SER A 34 -4.887 6.838 -1.649 1.00 0.00 O ATOM 500 CB SER A 34 -6.326 6.269 1.150 1.00 0.00 C ATOM 501 OG SER A 34 -5.086 6.447 1.814 1.00 0.00 O ATOM 0 H SER A 34 -7.228 6.658 -1.811 1.00 0.00 H new ATOM 0 HA SER A 34 -6.827 8.256 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.141 6.343 1.870 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.371 5.269 0.719 1.00 0.00 H new ATOM 0 HG SER A 34 -4.831 7.393 1.782 1.00 0.00 H new ATOM 507 N ARG A 35 -4.432 8.504 -0.211 1.00 0.00 N ATOM 508 CA ARG A 35 -3.140 8.813 -0.807 1.00 0.00 C ATOM 509 C ARG A 35 -2.049 8.055 -0.069 1.00 0.00 C ATOM 510 O ARG A 35 -1.597 8.479 0.994 1.00 0.00 O ATOM 511 CB ARG A 35 -2.869 10.319 -0.753 1.00 0.00 C ATOM 512 CG ARG A 35 -1.657 10.750 -1.565 1.00 0.00 C ATOM 513 CD ARG A 35 -0.563 11.324 -0.677 1.00 0.00 C ATOM 514 NE ARG A 35 -0.793 12.733 -0.364 1.00 0.00 N ATOM 515 CZ ARG A 35 -0.072 13.423 0.516 1.00 0.00 C ATOM 516 NH1 ARG A 35 0.925 12.840 1.171 1.00 0.00 N ATOM 517 NH2 ARG A 35 -0.346 14.701 0.743 1.00 0.00 N ATOM 0 H ARG A 35 -4.679 9.089 0.587 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.148 8.507 -1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.748 10.851 -1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.724 10.617 0.286 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.267 9.896 -2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.958 11.496 -2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.510 10.751 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.401 11.216 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.550 13.215 -0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.142 11.858 1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.474 13.374 1.844 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.110 15.155 0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.207 15.229 1.418 1.00 0.00 H new ATOM 531 N VAL A 36 -1.646 6.917 -0.623 1.00 0.00 N ATOM 532 CA VAL A 36 -0.627 6.094 0.007 1.00 0.00 C ATOM 533 C VAL A 36 0.749 6.331 -0.594 1.00 0.00 C ATOM 534 O VAL A 36 0.956 6.189 -1.800 1.00 0.00 O ATOM 535 CB VAL A 36 -0.969 4.595 -0.088 1.00 0.00 C ATOM 536 CG1 VAL A 36 0.039 3.766 0.698 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.381 4.338 0.417 1.00 0.00 C ATOM 0 H VAL A 36 -2.008 6.547 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.606 6.390 1.056 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.918 4.296 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.219 2.710 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.038 3.927 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.020 4.067 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.606 3.274 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.458 4.653 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.092 4.902 -0.187 1.00 0.00 H new ATOM 547 N GLN A 37 1.687 6.678 0.273 1.00 0.00 N ATOM 548 CA GLN A 37 3.060 6.925 -0.123 1.00 0.00 C ATOM 549 C GLN A 37 3.966 5.880 0.513 1.00 0.00 C ATOM 550 O GLN A 37 3.588 5.240 1.494 1.00 0.00 O ATOM 551 CB GLN A 37 3.485 8.326 0.309 1.00 0.00 C ATOM 552 CG GLN A 37 2.935 9.428 -0.579 1.00 0.00 C ATOM 553 CD GLN A 37 3.657 10.747 -0.389 1.00 0.00 C ATOM 554 OE1 GLN A 37 3.707 11.288 0.717 1.00 0.00 O ATOM 555 NE2 GLN A 37 4.221 11.273 -1.470 1.00 0.00 N ATOM 0 H GLN A 37 1.515 6.796 1.272 1.00 0.00 H new ATOM 0 HA GLN A 37 3.142 6.857 -1.208 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.155 8.497 1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.574 8.382 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.014 9.122 -1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.875 9.565 -0.367 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.155 10.790 -2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.721 12.160 -1.404 1.00 0.00 H new ATOM 564 N ILE A 38 5.159 5.707 -0.036 1.00 0.00 N ATOM 565 CA ILE A 38 6.094 4.733 0.504 1.00 0.00 C ATOM 566 C ILE A 38 7.245 5.436 1.197 1.00 0.00 C ATOM 567 O ILE A 38 7.646 6.526 0.796 1.00 0.00 O ATOM 568 CB ILE A 38 6.637 3.803 -0.598 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.475 3.144 -1.342 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.561 2.746 -0.004 1.00 0.00 C ATOM 571 CD1 ILE A 38 5.916 2.222 -2.454 1.00 0.00 C ATOM 0 H ILE A 38 5.500 6.223 -0.847 1.00 0.00 H new ATOM 0 HA ILE A 38 5.555 4.123 1.229 1.00 0.00 H new ATOM 0 HB ILE A 38 7.215 4.398 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.872 2.580 -0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.833 3.921 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.933 2.100 -0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.401 3.234 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.010 2.148 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.040 1.790 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.494 2.786 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.533 1.424 -2.042 1.00 0.00 H new ATOM 583 N TYR A 39 7.771 4.816 2.241 1.00 0.00 N ATOM 584 CA TYR A 39 8.874 5.400 2.986 1.00 0.00 C ATOM 585 C TYR A 39 10.169 4.643 2.730 1.00 0.00 C ATOM 586 O TYR A 39 10.278 3.453 3.029 1.00 0.00 O ATOM 587 CB TYR A 39 8.545 5.419 4.477 1.00 0.00 C ATOM 588 CG TYR A 39 7.780 6.653 4.892 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.570 6.973 4.290 1.00 0.00 C ATOM 590 CD2 TYR A 39 8.271 7.502 5.873 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.870 8.105 4.654 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.579 8.638 6.243 1.00 0.00 C ATOM 593 CZ TYR A 39 6.378 8.936 5.631 1.00 0.00 C ATOM 594 OH TYR A 39 5.684 10.067 5.998 1.00 0.00 O ATOM 0 H TYR A 39 7.453 3.912 2.591 1.00 0.00 H new ATOM 0 HA TYR A 39 9.017 6.425 2.644 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.960 4.534 4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.471 5.361 5.049 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.170 6.325 3.524 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.209 7.271 6.355 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.930 8.339 4.177 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.975 9.290 7.007 1.00 0.00 H new ATOM 0 HH TYR A 39 6.178 10.541 6.699 1.00 0.00 H new ATOM 604 N HIS A 40 11.146 5.344 2.168 1.00 0.00 N ATOM 605 CA HIS A 40 12.437 4.747 1.859 1.00 0.00 C ATOM 606 C HIS A 40 13.425 4.974 2.998 1.00 0.00 C ATOM 607 O HIS A 40 14.170 5.951 3.001 1.00 0.00 O ATOM 608 CB HIS A 40 12.989 5.331 0.555 1.00 0.00 C ATOM 609 CG HIS A 40 14.274 4.704 0.106 1.00 0.00 C ATOM 610 ND1 HIS A 40 14.513 4.342 -1.204 1.00 0.00 N ATOM 611 CD2 HIS A 40 15.392 4.375 0.796 1.00 0.00 C ATOM 612 CE1 HIS A 40 15.722 3.818 -1.300 1.00 0.00 C ATOM 613 NE2 HIS A 40 16.276 3.826 -0.101 1.00 0.00 N ATOM 0 H HIS A 40 11.067 6.329 1.917 1.00 0.00 H new ATOM 0 HA HIS A 40 12.298 3.673 1.736 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.243 5.210 -0.230 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.144 6.402 0.685 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.558 4.518 1.854 1.00 0.00 H new ATOM 0 HE1 HIS A 40 16.180 3.446 -2.205 1.00 0.00 H new ATOM 0 HE2 HIS A 40 17.209 3.480 0.123 1.00 0.00 H new ATOM 622 N ASN A 41 13.419 4.058 3.964 1.00 0.00 N ATOM 623 CA ASN A 41 14.312 4.142 5.115 1.00 0.00 C ATOM 624 C ASN A 41 15.535 3.252 4.910 1.00 0.00 C ATOM 625 O ASN A 41 15.473 2.044 5.140 1.00 0.00 O ATOM 626 CB ASN A 41 13.585 3.709 6.390 1.00 0.00 C ATOM 627 CG ASN A 41 12.201 4.314 6.518 1.00 0.00 C ATOM 628 OD1 ASN A 41 11.700 4.955 5.594 1.00 0.00 O ATOM 629 ND2 ASN A 41 11.571 4.109 7.670 1.00 0.00 N ATOM 0 H ASN A 41 12.802 3.246 3.971 1.00 0.00 H new ATOM 0 HA ASN A 41 14.633 5.179 5.216 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.503 2.622 6.403 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.182 3.994 7.256 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.635 4.489 7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.023 3.572 8.410 1.00 0.00 H new ATOM 636 N PRO A 42 16.668 3.826 4.474 1.00 0.00 N ATOM 637 CA PRO A 42 17.890 3.065 4.244 1.00 0.00 C ATOM 638 C PRO A 42 18.721 2.894 5.511 1.00 0.00 C ATOM 639 O PRO A 42 19.528 1.970 5.612 1.00 0.00 O ATOM 640 CB PRO A 42 18.631 3.930 3.239 1.00 0.00 C ATOM 641 CG PRO A 42 18.262 5.325 3.617 1.00 0.00 C ATOM 642 CD PRO A 42 16.854 5.258 4.163 1.00 0.00 C ATOM 0 HA PRO A 42 17.688 2.049 3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.708 3.773 3.296 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.329 3.701 2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.950 5.720 4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.313 5.988 2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.739 5.879 5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.124 5.607 3.433 1.00 0.00 H new ATOM 650 N THR A 43 18.517 3.784 6.480 1.00 0.00 N ATOM 651 CA THR A 43 19.249 3.720 7.742 1.00 0.00 C ATOM 652 C THR A 43 19.219 2.304 8.309 1.00 0.00 C ATOM 653 O THR A 43 20.157 1.870 8.980 1.00 0.00 O ATOM 654 CB THR A 43 18.652 4.701 8.753 1.00 0.00 C ATOM 655 OG1 THR A 43 17.270 4.451 8.938 1.00 0.00 O ATOM 656 CG2 THR A 43 18.806 6.150 8.342 1.00 0.00 C ATOM 0 H THR A 43 17.853 4.556 6.415 1.00 0.00 H new ATOM 0 HA THR A 43 20.286 3.997 7.551 1.00 0.00 H new ATOM 0 HB THR A 43 19.209 4.540 9.676 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.907 5.087 9.589 1.00 0.00 H new ATOM 0 HG21 THR A 43 18.362 6.793 9.102 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.865 6.388 8.239 1.00 0.00 H new ATOM 0 HG23 THR A 43 18.303 6.313 7.389 1.00 0.00 H new ATOM 664 N ALA A 44 18.137 1.587 8.023 1.00 0.00 N ATOM 665 CA ALA A 44 17.980 0.216 8.489 1.00 0.00 C ATOM 666 C ALA A 44 17.620 -0.723 7.337 1.00 0.00 C ATOM 667 O ALA A 44 17.358 -1.906 7.550 1.00 0.00 O ATOM 668 CB ALA A 44 16.920 0.147 9.579 1.00 0.00 C ATOM 0 H ALA A 44 17.354 1.935 7.469 1.00 0.00 H new ATOM 0 HA ALA A 44 18.934 -0.110 8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.813 -0.883 9.918 1.00 0.00 H new ATOM 0 HB2 ALA A 44 17.219 0.776 10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.968 0.499 9.183 1.00 0.00 H new ATOM 674 N ASN A 45 17.600 -0.186 6.118 1.00 0.00 N ATOM 675 CA ASN A 45 17.264 -0.976 4.942 1.00 0.00 C ATOM 676 C ASN A 45 15.842 -1.509 5.059 1.00 0.00 C ATOM 677 O ASN A 45 15.587 -2.695 4.858 1.00 0.00 O ATOM 678 CB ASN A 45 18.257 -2.130 4.767 1.00 0.00 C ATOM 679 CG ASN A 45 19.050 -2.020 3.477 1.00 0.00 C ATOM 680 OD1 ASN A 45 20.261 -2.233 3.462 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.368 -1.686 2.385 1.00 0.00 N ATOM 0 H ASN A 45 17.813 0.792 5.922 1.00 0.00 H new ATOM 0 HA ASN A 45 17.327 -0.336 4.062 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.944 -2.146 5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 45 17.716 -3.076 4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.849 -1.598 1.490 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.364 -1.518 2.442 1.00 0.00 H new ATOM 688 N SER A 46 14.921 -0.617 5.399 1.00 0.00 N ATOM 689 CA SER A 46 13.520 -0.992 5.555 1.00 0.00 C ATOM 690 C SER A 46 12.602 -0.009 4.835 1.00 0.00 C ATOM 691 O SER A 46 12.939 1.163 4.672 1.00 0.00 O ATOM 692 CB SER A 46 13.152 -1.056 7.038 1.00 0.00 C ATOM 693 OG SER A 46 14.124 -1.778 7.775 1.00 0.00 O ATOM 0 H SER A 46 15.117 0.369 5.572 1.00 0.00 H new ATOM 0 HA SER A 46 13.385 -1.977 5.107 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.065 -0.046 7.438 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.177 -1.530 7.154 1.00 0.00 H new ATOM 0 HG SER A 46 13.866 -1.803 8.720 1.00 0.00 H new ATOM 699 N PHE A 47 11.441 -0.495 4.408 1.00 0.00 N ATOM 700 CA PHE A 47 10.474 0.342 3.708 1.00 0.00 C ATOM 701 C PHE A 47 9.148 0.377 4.458 1.00 0.00 C ATOM 702 O PHE A 47 8.900 -0.450 5.334 1.00 0.00 O ATOM 703 CB PHE A 47 10.274 -0.170 2.281 1.00 0.00 C ATOM 704 CG PHE A 47 11.413 0.181 1.371 1.00 0.00 C ATOM 705 CD1 PHE A 47 11.571 1.476 0.910 1.00 0.00 C ATOM 706 CD2 PHE A 47 12.331 -0.780 0.984 1.00 0.00 C ATOM 707 CE1 PHE A 47 12.622 1.808 0.079 1.00 0.00 C ATOM 708 CE2 PHE A 47 13.385 -0.456 0.152 1.00 0.00 C ATOM 709 CZ PHE A 47 13.531 0.840 -0.301 1.00 0.00 C ATOM 0 H PHE A 47 11.147 -1.464 4.534 1.00 0.00 H new ATOM 0 HA PHE A 47 10.862 1.360 3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.153 -1.253 2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.351 0.246 1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.863 2.237 1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.222 -1.795 1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.733 2.823 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.094 -1.215 -0.144 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.354 1.096 -0.951 1.00 0.00 H new ATOM 719 N ARG A 48 8.304 1.350 4.126 1.00 0.00 N ATOM 720 CA ARG A 48 7.014 1.493 4.791 1.00 0.00 C ATOM 721 C ARG A 48 5.948 2.046 3.852 1.00 0.00 C ATOM 722 O ARG A 48 6.240 2.827 2.947 1.00 0.00 O ATOM 723 CB ARG A 48 7.155 2.413 6.007 1.00 0.00 C ATOM 724 CG ARG A 48 7.261 1.674 7.328 1.00 0.00 C ATOM 725 CD ARG A 48 7.739 2.591 8.443 1.00 0.00 C ATOM 726 NE ARG A 48 7.477 2.028 9.765 1.00 0.00 N ATOM 727 CZ ARG A 48 8.011 2.499 10.890 1.00 0.00 C ATOM 728 NH1 ARG A 48 8.833 3.542 10.858 1.00 0.00 N ATOM 729 NH2 ARG A 48 7.720 1.928 12.052 1.00 0.00 N ATOM 0 H ARG A 48 8.489 2.047 3.405 1.00 0.00 H new ATOM 0 HA ARG A 48 6.696 0.500 5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.040 3.036 5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.296 3.083 6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.289 1.256 7.591 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.951 0.837 7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.808 2.771 8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.242 3.557 8.356 1.00 0.00 H new ATOM 0 HE ARG A 48 6.848 1.227 9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.058 3.987 9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.239 3.898 11.723 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.087 1.128 12.083 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.129 2.289 12.914 1.00 0.00 H new ATOM 743 N VAL A 49 4.704 1.648 4.098 1.00 0.00 N ATOM 744 CA VAL A 49 3.574 2.108 3.306 1.00 0.00 C ATOM 745 C VAL A 49 2.671 2.979 4.172 1.00 0.00 C ATOM 746 O VAL A 49 2.178 2.536 5.209 1.00 0.00 O ATOM 747 CB VAL A 49 2.767 0.927 2.732 1.00 0.00 C ATOM 748 CG1 VAL A 49 3.513 0.285 1.573 1.00 0.00 C ATOM 749 CG2 VAL A 49 2.472 -0.099 3.816 1.00 0.00 C ATOM 0 H VAL A 49 4.454 1.002 4.847 1.00 0.00 H new ATOM 0 HA VAL A 49 3.958 2.688 2.467 1.00 0.00 H new ATOM 0 HB VAL A 49 1.817 1.309 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.928 -0.547 1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.668 1.023 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.479 -0.082 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.902 -0.924 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.409 -0.478 4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.893 0.369 4.612 1.00 0.00 H new ATOM 759 N VAL A 50 2.479 4.227 3.762 1.00 0.00 N ATOM 760 CA VAL A 50 1.661 5.160 4.529 1.00 0.00 C ATOM 761 C VAL A 50 0.606 5.828 3.658 1.00 0.00 C ATOM 762 O VAL A 50 0.931 6.501 2.682 1.00 0.00 O ATOM 763 CB VAL A 50 2.530 6.253 5.187 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.870 6.772 6.452 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.926 5.729 5.492 1.00 0.00 C ATOM 0 H VAL A 50 2.876 4.616 2.907 1.00 0.00 H new ATOM 0 HA VAL A 50 1.164 4.575 5.303 1.00 0.00 H new ATOM 0 HB VAL A 50 2.623 7.079 4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.498 7.541 6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.896 7.196 6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.741 5.952 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.518 6.519 5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.856 4.881 6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.406 5.411 4.566 1.00 0.00 H new ATOM 775 N GLY A 51 -0.658 5.646 4.020 1.00 0.00 N ATOM 776 CA GLY A 51 -1.738 6.244 3.259 1.00 0.00 C ATOM 777 C GLY A 51 -2.863 6.744 4.140 1.00 0.00 C ATOM 778 O GLY A 51 -3.113 6.195 5.212 1.00 0.00 O ATOM 0 H GLY A 51 -0.954 5.096 4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.347 7.073 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.131 5.511 2.555 1.00 0.00 H new ATOM 782 N ARG A 52 -3.544 7.791 3.686 1.00 0.00 N ATOM 783 CA ARG A 52 -4.650 8.368 4.439 1.00 0.00 C ATOM 784 C ARG A 52 -5.836 8.661 3.527 1.00 0.00 C ATOM 785 O ARG A 52 -5.676 8.810 2.315 1.00 0.00 O ATOM 786 CB ARG A 52 -4.203 9.651 5.142 1.00 0.00 C ATOM 787 CG ARG A 52 -3.406 10.589 4.250 1.00 0.00 C ATOM 788 CD ARG A 52 -3.923 12.016 4.335 1.00 0.00 C ATOM 789 NE ARG A 52 -2.844 12.996 4.248 1.00 0.00 N ATOM 790 CZ ARG A 52 -2.051 13.319 5.267 1.00 0.00 C ATOM 791 NH1 ARG A 52 -2.213 12.742 6.452 1.00 0.00 N ATOM 792 NH2 ARG A 52 -1.093 14.220 5.101 1.00 0.00 N ATOM 0 H ARG A 52 -3.349 8.257 2.800 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.963 7.641 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.083 10.177 5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.598 9.388 6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.356 10.564 4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.459 10.243 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.637 12.191 3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.461 12.151 5.274 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.689 13.461 3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.948 12.047 6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.602 12.993 7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.964 14.666 4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.485 14.468 5.882 1.00 0.00 H new ATOM 806 N LYS A 53 -7.024 8.743 4.116 1.00 0.00 N ATOM 807 CA LYS A 53 -8.235 9.016 3.352 1.00 0.00 C ATOM 808 C LYS A 53 -8.229 10.444 2.816 1.00 0.00 C ATOM 809 O LYS A 53 -7.517 11.307 3.329 1.00 0.00 O ATOM 810 CB LYS A 53 -9.475 8.789 4.219 1.00 0.00 C ATOM 811 CG LYS A 53 -9.729 7.327 4.547 1.00 0.00 C ATOM 812 CD LYS A 53 -9.827 6.480 3.288 1.00 0.00 C ATOM 813 CE LYS A 53 -10.538 5.163 3.556 1.00 0.00 C ATOM 814 NZ LYS A 53 -9.909 4.032 2.822 1.00 0.00 N ATOM 0 H LYS A 53 -7.174 8.625 5.118 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.263 8.329 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.365 9.347 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.347 9.194 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.924 6.950 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.652 7.237 5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.363 7.033 2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.827 6.283 2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.524 4.954 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.584 5.249 3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.651 3.421 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.317 4.404 2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.319 3.479 3.476 1.00 0.00 H new ATOM 828 N MET A 54 -9.026 10.687 1.780 1.00 0.00 N ATOM 829 CA MET A 54 -9.111 12.010 1.174 1.00 0.00 C ATOM 830 C MET A 54 -10.372 12.738 1.627 1.00 0.00 C ATOM 831 O MET A 54 -11.100 13.308 0.815 1.00 0.00 O ATOM 832 CB MET A 54 -9.091 11.896 -0.352 1.00 0.00 C ATOM 833 CG MET A 54 -8.055 10.915 -0.874 1.00 0.00 C ATOM 834 SD MET A 54 -7.592 11.236 -2.587 1.00 0.00 S ATOM 835 CE MET A 54 -5.807 11.271 -2.456 1.00 0.00 C ATOM 0 H MET A 54 -9.622 9.984 1.343 1.00 0.00 H new ATOM 0 HA MET A 54 -8.246 12.588 1.500 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.078 11.588 -0.698 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.896 12.880 -0.779 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.165 10.965 -0.246 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.447 9.901 -0.792 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.381 11.633 -3.391 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.515 11.935 -1.643 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.437 10.266 -2.254 1.00 0.00 H new ATOM 845 N GLN A 55 -10.621 12.714 2.931 1.00 0.00 N ATOM 846 CA GLN A 55 -11.792 13.374 3.499 1.00 0.00 C ATOM 847 C GLN A 55 -11.378 14.449 4.500 1.00 0.00 C ATOM 848 O GLN A 55 -10.246 14.456 4.984 1.00 0.00 O ATOM 849 CB GLN A 55 -12.703 12.350 4.180 1.00 0.00 C ATOM 850 CG GLN A 55 -11.953 11.321 5.010 1.00 0.00 C ATOM 851 CD GLN A 55 -12.879 10.325 5.680 1.00 0.00 C ATOM 852 OE1 GLN A 55 -13.703 10.691 6.517 1.00 0.00 O ATOM 853 NE2 GLN A 55 -12.746 9.056 5.313 1.00 0.00 N ATOM 0 H GLN A 55 -10.028 12.245 3.616 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.339 13.851 2.686 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.410 12.876 4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.287 11.833 3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.251 10.786 4.371 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.364 11.833 5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.049 8.797 4.615 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.341 8.340 5.729 1.00 0.00 H new ATOM 862 N PRO A 56 -12.295 15.378 4.825 1.00 0.00 N ATOM 863 CA PRO A 56 -12.018 16.463 5.773 1.00 0.00 C ATOM 864 C PRO A 56 -11.429 15.954 7.084 1.00 0.00 C ATOM 865 O PRO A 56 -10.716 16.678 7.778 1.00 0.00 O ATOM 866 CB PRO A 56 -13.396 17.083 6.011 1.00 0.00 C ATOM 867 CG PRO A 56 -14.166 16.780 4.773 1.00 0.00 C ATOM 868 CD PRO A 56 -13.670 15.444 4.293 1.00 0.00 C ATOM 0 HA PRO A 56 -11.279 17.165 5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.876 16.655 6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.323 18.158 6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.236 16.748 4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.008 17.549 4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -14.286 14.628 4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.683 15.378 3.205 1.00 0.00 H new ATOM 876 N ASP A 57 -11.732 14.703 7.418 1.00 0.00 N ATOM 877 CA ASP A 57 -11.233 14.098 8.647 1.00 0.00 C ATOM 878 C ASP A 57 -9.753 13.751 8.522 1.00 0.00 C ATOM 879 O ASP A 57 -8.973 13.973 9.449 1.00 0.00 O ATOM 880 CB ASP A 57 -12.036 12.841 8.983 1.00 0.00 C ATOM 881 CG ASP A 57 -13.217 13.134 9.887 1.00 0.00 C ATOM 882 OD1 ASP A 57 -14.236 13.651 9.385 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.122 12.846 11.099 1.00 0.00 O ATOM 0 H ASP A 57 -12.320 14.089 6.855 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.350 14.823 9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.393 12.384 8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.383 12.115 9.467 1.00 0.00 H new ATOM 888 N GLN A 58 -9.371 13.202 7.373 1.00 0.00 N ATOM 889 CA GLN A 58 -7.984 12.823 7.132 1.00 0.00 C ATOM 890 C GLN A 58 -7.523 11.781 8.146 1.00 0.00 C ATOM 891 O GLN A 58 -7.175 12.114 9.278 1.00 0.00 O ATOM 892 CB GLN A 58 -7.077 14.052 7.197 1.00 0.00 C ATOM 893 CG GLN A 58 -7.406 15.107 6.155 1.00 0.00 C ATOM 894 CD GLN A 58 -6.170 15.647 5.461 1.00 0.00 C ATOM 895 OE1 GLN A 58 -5.144 15.892 6.097 1.00 0.00 O ATOM 896 NE2 GLN A 58 -6.261 15.836 4.151 1.00 0.00 N ATOM 0 H GLN A 58 -10.002 13.010 6.595 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.920 12.388 6.135 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.153 14.497 8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.042 13.736 7.068 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.079 14.680 5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.939 15.930 6.632 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.131 15.620 3.664 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.461 16.198 3.631 1.00 0.00 H new ATOM 905 N GLN A 59 -7.524 10.518 7.731 1.00 0.00 N ATOM 906 CA GLN A 59 -7.108 9.427 8.604 1.00 0.00 C ATOM 907 C GLN A 59 -6.240 8.427 7.848 1.00 0.00 C ATOM 908 O GLN A 59 -6.536 8.073 6.707 1.00 0.00 O ATOM 909 CB GLN A 59 -8.333 8.720 9.187 1.00 0.00 C ATOM 910 CG GLN A 59 -9.159 7.975 8.150 1.00 0.00 C ATOM 911 CD GLN A 59 -10.354 7.265 8.758 1.00 0.00 C ATOM 912 OE1 GLN A 59 -11.167 7.876 9.452 1.00 0.00 O ATOM 913 NE2 GLN A 59 -10.467 5.967 8.498 1.00 0.00 N ATOM 0 H GLN A 59 -7.808 10.225 6.796 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.518 9.849 9.418 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.006 8.016 9.952 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.966 9.457 9.682 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.505 8.678 7.393 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.527 7.246 7.643 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.770 5.501 7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.251 5.437 8.879 1.00 0.00 H new ATOM 922 N VAL A 60 -5.169 7.970 8.490 1.00 0.00 N ATOM 923 CA VAL A 60 -4.268 7.009 7.872 1.00 0.00 C ATOM 924 C VAL A 60 -4.920 5.634 7.776 1.00 0.00 C ATOM 925 O VAL A 60 -5.328 5.057 8.784 1.00 0.00 O ATOM 926 CB VAL A 60 -2.938 6.894 8.648 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.271 8.256 8.760 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.164 6.287 10.028 1.00 0.00 C ATOM 0 H VAL A 60 -4.906 8.250 9.435 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.053 7.376 6.868 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.275 6.229 8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.335 8.159 9.310 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.067 8.645 7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.932 8.943 9.289 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.212 6.216 10.555 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.847 6.919 10.596 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.594 5.291 9.921 1.00 0.00 H new ATOM 938 N VAL A 61 -5.018 5.116 6.557 1.00 0.00 N ATOM 939 CA VAL A 61 -5.625 3.810 6.329 1.00 0.00 C ATOM 940 C VAL A 61 -4.565 2.708 6.314 1.00 0.00 C ATOM 941 O VAL A 61 -4.872 1.535 6.535 1.00 0.00 O ATOM 942 CB VAL A 61 -6.425 3.786 5.008 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.288 5.033 4.880 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.499 3.654 3.807 1.00 0.00 C ATOM 0 H VAL A 61 -4.685 5.580 5.712 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.313 3.624 7.154 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.077 2.913 5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.843 4.997 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.987 5.079 5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.652 5.918 4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.090 3.640 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.812 4.500 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.930 2.727 3.886 1.00 0.00 H new ATOM 954 N ILE A 62 -3.317 3.094 6.062 1.00 0.00 N ATOM 955 CA ILE A 62 -2.210 2.148 6.030 1.00 0.00 C ATOM 956 C ILE A 62 -0.972 2.753 6.677 1.00 0.00 C ATOM 957 O ILE A 62 -0.637 3.912 6.430 1.00 0.00 O ATOM 958 CB ILE A 62 -1.869 1.712 4.590 1.00 0.00 C ATOM 959 CG1 ILE A 62 -0.828 0.591 4.609 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.362 2.894 3.777 1.00 0.00 C ATOM 961 CD1 ILE A 62 -0.771 -0.204 3.322 1.00 0.00 C ATOM 0 H ILE A 62 -3.048 4.060 5.876 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.526 1.268 6.590 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.777 1.337 4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.154 1.022 4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.049 -0.085 5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.127 2.565 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.131 3.666 3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.464 3.299 4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.011 -0.981 3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.741 -0.664 3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.519 0.460 2.495 1.00 0.00 H new ATOM 973 N ASN A 63 -0.299 1.971 7.510 1.00 0.00 N ATOM 974 CA ASN A 63 0.896 2.444 8.192 1.00 0.00 C ATOM 975 C ASN A 63 1.752 1.273 8.666 1.00 0.00 C ATOM 976 O ASN A 63 2.004 1.116 9.861 1.00 0.00 O ATOM 977 CB ASN A 63 0.503 3.331 9.375 1.00 0.00 C ATOM 978 CG ASN A 63 -0.332 2.590 10.403 1.00 0.00 C ATOM 979 OD1 ASN A 63 -0.401 1.361 10.393 1.00 0.00 O ATOM 980 ND2 ASN A 63 -0.975 3.336 11.294 1.00 0.00 N ATOM 0 H ASN A 63 -0.560 1.009 7.729 1.00 0.00 H new ATOM 0 HA ASN A 63 1.487 3.030 7.489 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.404 3.715 9.852 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.056 4.192 9.010 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.554 2.893 12.007 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.889 4.352 11.265 1.00 0.00 H new ATOM 987 N CYS A 64 2.196 0.452 7.719 1.00 0.00 N ATOM 988 CA CYS A 64 3.023 -0.706 8.039 1.00 0.00 C ATOM 989 C CYS A 64 4.392 -0.601 7.372 1.00 0.00 C ATOM 990 O CYS A 64 4.606 0.244 6.502 1.00 0.00 O ATOM 991 CB CYS A 64 2.326 -1.995 7.599 1.00 0.00 C ATOM 992 SG CYS A 64 2.562 -3.386 8.731 1.00 0.00 S ATOM 0 H CYS A 64 1.997 0.567 6.725 1.00 0.00 H new ATOM 0 HA CYS A 64 3.167 -0.729 9.119 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.258 -1.801 7.496 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.695 -2.276 6.613 1.00 0.00 H new ATOM 0 HG CYS A 64 1.934 -4.428 8.274 1.00 0.00 H new ATOM 998 N ALA A 65 5.314 -1.464 7.786 1.00 0.00 N ATOM 999 CA ALA A 65 6.662 -1.468 7.230 1.00 0.00 C ATOM 1000 C ALA A 65 6.917 -2.726 6.411 1.00 0.00 C ATOM 1001 O ALA A 65 6.691 -3.840 6.884 1.00 0.00 O ATOM 1002 CB ALA A 65 7.694 -1.348 8.342 1.00 0.00 C ATOM 0 H ALA A 65 5.152 -2.170 8.505 1.00 0.00 H new ATOM 0 HA ALA A 65 6.753 -0.608 6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.695 -1.352 7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.537 -0.416 8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.590 -2.189 9.027 1.00 0.00 H new ATOM 1008 N ILE A 66 7.399 -2.546 5.184 1.00 0.00 N ATOM 1009 CA ILE A 66 7.690 -3.680 4.317 1.00 0.00 C ATOM 1010 C ILE A 66 9.189 -3.887 4.166 1.00 0.00 C ATOM 1011 O ILE A 66 9.960 -2.929 4.108 1.00 0.00 O ATOM 1012 CB ILE A 66 7.072 -3.529 2.912 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.077 -2.074 2.455 1.00 0.00 C ATOM 1014 CG2 ILE A 66 5.657 -4.088 2.892 1.00 0.00 C ATOM 1015 CD1 ILE A 66 6.988 -1.937 0.952 1.00 0.00 C ATOM 0 H ILE A 66 7.594 -1.634 4.772 1.00 0.00 H new ATOM 0 HA ILE A 66 7.239 -4.546 4.802 1.00 0.00 H new ATOM 0 HB ILE A 66 7.686 -4.099 2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.239 -1.550 2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.988 -1.589 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.235 -3.974 1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.680 -5.145 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.042 -3.546 3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.995 -0.881 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.840 -2.436 0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.064 -2.395 0.599 1.00 0.00 H new ATOM 1027 N VAL A 67 9.588 -5.147 4.096 1.00 0.00 N ATOM 1028 CA VAL A 67 10.989 -5.499 3.943 1.00 0.00 C ATOM 1029 C VAL A 67 11.150 -6.584 2.885 1.00 0.00 C ATOM 1030 O VAL A 67 10.202 -6.907 2.169 1.00 0.00 O ATOM 1031 CB VAL A 67 11.595 -5.979 5.277 1.00 0.00 C ATOM 1032 CG1 VAL A 67 11.574 -4.855 6.302 1.00 0.00 C ATOM 1033 CG2 VAL A 67 10.846 -7.198 5.796 1.00 0.00 C ATOM 0 H VAL A 67 8.956 -5.947 4.143 1.00 0.00 H new ATOM 0 HA VAL A 67 11.523 -4.603 3.626 1.00 0.00 H new ATOM 0 HB VAL A 67 12.632 -6.267 5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.005 -5.209 7.239 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.157 -4.012 5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.545 -4.538 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.288 -7.523 6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.799 -6.941 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.914 -8.005 5.066 1.00 0.00 H new ATOM 1043 N ARG A 68 12.348 -7.144 2.788 1.00 0.00 N ATOM 1044 CA ARG A 68 12.619 -8.193 1.813 1.00 0.00 C ATOM 1045 C ARG A 68 11.645 -9.355 1.994 1.00 0.00 C ATOM 1046 O ARG A 68 11.904 -10.270 2.777 1.00 0.00 O ATOM 1047 CB ARG A 68 14.059 -8.694 1.968 1.00 0.00 C ATOM 1048 CG ARG A 68 14.370 -9.947 1.160 1.00 0.00 C ATOM 1049 CD ARG A 68 15.562 -10.695 1.733 1.00 0.00 C ATOM 1050 NE ARG A 68 16.467 -11.166 0.687 1.00 0.00 N ATOM 1051 CZ ARG A 68 16.257 -12.265 -0.035 1.00 0.00 C ATOM 1052 NH1 ARG A 68 15.175 -13.006 0.168 1.00 0.00 N ATOM 1053 NH2 ARG A 68 17.133 -12.624 -0.963 1.00 0.00 N ATOM 0 H ARG A 68 13.146 -6.891 3.371 1.00 0.00 H new ATOM 0 HA ARG A 68 12.489 -7.779 0.813 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.743 -7.901 1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.251 -8.897 3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.498 -10.601 1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.574 -9.673 0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.106 -10.042 2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.210 -11.545 2.317 1.00 0.00 H new ATOM 0 HE ARG A 68 17.309 -10.621 0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.498 -12.735 0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.021 -13.847 -0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.967 -12.059 -1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.973 -13.466 -1.517 1.00 0.00 H new ATOM 1067 N GLY A 69 10.529 -9.322 1.273 1.00 0.00 N ATOM 1068 CA GLY A 69 9.559 -10.393 1.392 1.00 0.00 C ATOM 1069 C GLY A 69 8.230 -10.091 0.725 1.00 0.00 C ATOM 1070 O GLY A 69 7.518 -11.011 0.323 1.00 0.00 O ATOM 0 H GLY A 69 10.281 -8.582 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.977 -11.300 0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.386 -10.599 2.448 1.00 0.00 H new ATOM 1074 N VAL A 70 7.878 -8.812 0.611 1.00 0.00 N ATOM 1075 CA VAL A 70 6.614 -8.442 -0.006 1.00 0.00 C ATOM 1076 C VAL A 70 6.794 -8.123 -1.488 1.00 0.00 C ATOM 1077 O VAL A 70 7.574 -7.246 -1.857 1.00 0.00 O ATOM 1078 CB VAL A 70 5.966 -7.248 0.732 1.00 0.00 C ATOM 1079 CG1 VAL A 70 5.122 -6.401 -0.197 1.00 0.00 C ATOM 1080 CG2 VAL A 70 5.115 -7.744 1.881 1.00 0.00 C ATOM 0 H VAL A 70 8.444 -8.027 0.934 1.00 0.00 H new ATOM 0 HA VAL A 70 5.945 -9.299 0.076 1.00 0.00 H new ATOM 0 HB VAL A 70 6.774 -6.624 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.685 -5.573 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.747 -6.008 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.326 -7.011 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.664 -6.894 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.329 -8.395 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.738 -8.301 2.581 1.00 0.00 H new ATOM 1090 N LYS A 71 6.060 -8.845 -2.328 1.00 0.00 N ATOM 1091 CA LYS A 71 6.125 -8.651 -3.770 1.00 0.00 C ATOM 1092 C LYS A 71 4.733 -8.405 -4.345 1.00 0.00 C ATOM 1093 O LYS A 71 3.857 -9.266 -4.266 1.00 0.00 O ATOM 1094 CB LYS A 71 6.757 -9.872 -4.441 1.00 0.00 C ATOM 1095 CG LYS A 71 6.960 -9.706 -5.938 1.00 0.00 C ATOM 1096 CD LYS A 71 8.162 -8.828 -6.243 1.00 0.00 C ATOM 1097 CE LYS A 71 8.183 -8.399 -7.701 1.00 0.00 C ATOM 1098 NZ LYS A 71 8.342 -9.559 -8.621 1.00 0.00 N ATOM 0 H LYS A 71 5.410 -9.573 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 71 6.743 -7.775 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.720 -10.076 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.125 -10.742 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.097 -10.684 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.066 -9.267 -6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.141 -7.946 -5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.078 -9.370 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.258 -7.873 -7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.000 -7.695 -7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.351 -9.223 -9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.237 -10.047 -8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.549 -10.219 -8.488 1.00 0.00 H new ATOM 1112 N TYR A 72 4.539 -7.224 -4.921 1.00 0.00 N ATOM 1113 CA TYR A 72 3.254 -6.857 -5.511 1.00 0.00 C ATOM 1114 C TYR A 72 2.757 -7.944 -6.460 1.00 0.00 C ATOM 1115 O TYR A 72 3.474 -8.370 -7.364 1.00 0.00 O ATOM 1116 CB TYR A 72 3.385 -5.522 -6.254 1.00 0.00 C ATOM 1117 CG TYR A 72 2.961 -4.320 -5.434 1.00 0.00 C ATOM 1118 CD1 TYR A 72 2.902 -4.387 -4.047 1.00 0.00 C ATOM 1119 CD2 TYR A 72 2.621 -3.117 -6.047 1.00 0.00 C ATOM 1120 CE1 TYR A 72 2.519 -3.297 -3.296 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.238 -2.021 -5.298 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.188 -2.116 -3.924 1.00 0.00 C ATOM 1123 OH TYR A 72 1.815 -1.027 -3.176 1.00 0.00 O ATOM 0 H TYR A 72 5.256 -6.502 -4.993 1.00 0.00 H new ATOM 0 HA TYR A 72 2.524 -6.751 -4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.421 -5.390 -6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.783 -5.562 -7.161 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.161 -5.310 -3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.657 -3.039 -7.124 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.478 -3.368 -2.219 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.979 -1.094 -5.787 1.00 0.00 H new ATOM 0 HH TYR A 72 0.922 -0.731 -3.452 1.00 0.00 H new ATOM 1133 N ASN A 73 1.525 -8.393 -6.239 1.00 0.00 N ATOM 1134 CA ASN A 73 0.929 -9.435 -7.065 1.00 0.00 C ATOM 1135 C ASN A 73 0.108 -8.833 -8.201 1.00 0.00 C ATOM 1136 O ASN A 73 -0.027 -9.434 -9.268 1.00 0.00 O ATOM 1137 CB ASN A 73 0.044 -10.344 -6.210 1.00 0.00 C ATOM 1138 CG ASN A 73 0.106 -11.794 -6.650 1.00 0.00 C ATOM 1139 OD1 ASN A 73 0.774 -12.616 -6.026 1.00 0.00 O ATOM 1140 ND2 ASN A 73 -0.597 -12.113 -7.732 1.00 0.00 N ATOM 0 H ASN A 73 0.920 -8.050 -5.493 1.00 0.00 H new ATOM 0 HA ASN A 73 1.737 -10.024 -7.500 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.353 -10.270 -5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.987 -9.995 -6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.596 -13.073 -8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.137 -11.398 -8.218 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.444 -7.647 -7.965 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.254 -6.970 -8.970 1.00 0.00 C ATOM 1149 C GLN A 74 -2.481 -7.802 -9.322 1.00 0.00 C ATOM 1150 O GLN A 74 -2.520 -8.465 -10.358 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.424 -6.699 -10.227 1.00 0.00 C ATOM 1152 CG GLN A 74 -0.759 -5.379 -10.903 1.00 0.00 C ATOM 1153 CD GLN A 74 -1.296 -5.563 -12.310 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -0.845 -4.907 -13.249 1.00 0.00 O ATOM 1155 NE2 GLN A 74 -2.265 -6.459 -12.462 1.00 0.00 N ATOM 0 H GLN A 74 -0.345 -7.136 -7.088 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.588 -6.019 -8.556 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.633 -6.704 -9.963 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.579 -7.511 -10.937 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.497 -4.845 -10.304 1.00 0.00 H new ATOM 0 HG3 GLN A 74 0.135 -4.756 -10.938 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.609 -6.980 -11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.665 -6.626 -13.385 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.484 -7.764 -8.449 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.716 -8.517 -8.662 1.00 0.00 C ATOM 1166 C ALA A 75 -5.337 -8.190 -10.016 1.00 0.00 C ATOM 1167 O ALA A 75 -5.846 -9.073 -10.706 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.706 -8.228 -7.543 1.00 0.00 C ATOM 0 H ALA A 75 -3.467 -7.219 -7.587 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.470 -9.579 -8.654 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.622 -8.795 -7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.270 -8.519 -6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.937 -7.163 -7.527 1.00 0.00 H new ATOM 1174 N THR A 76 -5.291 -6.916 -10.389 1.00 0.00 N ATOM 1175 CA THR A 76 -5.848 -6.470 -11.661 1.00 0.00 C ATOM 1176 C THR A 76 -5.091 -5.246 -12.175 1.00 0.00 C ATOM 1177 O THR A 76 -4.233 -4.704 -11.478 1.00 0.00 O ATOM 1178 CB THR A 76 -7.338 -6.143 -11.505 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.519 -4.810 -11.057 1.00 0.00 O ATOM 1180 CG2 THR A 76 -8.058 -7.053 -10.531 1.00 0.00 C ATOM 0 H THR A 76 -4.873 -6.173 -9.828 1.00 0.00 H new ATOM 0 HA THR A 76 -5.741 -7.276 -12.387 1.00 0.00 H new ATOM 0 HB THR A 76 -7.765 -6.289 -12.497 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.477 -4.623 -10.966 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.107 -6.764 -10.471 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.985 -8.085 -10.875 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.600 -6.966 -9.546 1.00 0.00 H new ATOM 1188 N PRO A 77 -5.394 -4.790 -13.404 1.00 0.00 N ATOM 1189 CA PRO A 77 -4.731 -3.624 -13.994 1.00 0.00 C ATOM 1190 C PRO A 77 -4.739 -2.419 -13.058 1.00 0.00 C ATOM 1191 O PRO A 77 -3.882 -1.541 -13.153 1.00 0.00 O ATOM 1192 CB PRO A 77 -5.561 -3.340 -15.246 1.00 0.00 C ATOM 1193 CG PRO A 77 -6.149 -4.659 -15.611 1.00 0.00 C ATOM 1194 CD PRO A 77 -6.405 -5.369 -14.311 1.00 0.00 C ATOM 0 HA PRO A 77 -3.678 -3.813 -14.201 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.337 -2.601 -15.048 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.942 -2.945 -16.051 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.073 -4.532 -16.175 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.467 -5.230 -16.240 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.418 -5.193 -13.949 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.285 -6.448 -14.411 1.00 0.00 H new ATOM 1202 N ASN A 78 -5.711 -2.388 -12.151 1.00 0.00 N ATOM 1203 CA ASN A 78 -5.830 -1.295 -11.194 1.00 0.00 C ATOM 1204 C ASN A 78 -6.031 -1.833 -9.779 1.00 0.00 C ATOM 1205 O ASN A 78 -6.964 -1.438 -9.081 1.00 0.00 O ATOM 1206 CB ASN A 78 -6.993 -0.377 -11.578 1.00 0.00 C ATOM 1207 CG ASN A 78 -8.327 -1.097 -11.568 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -8.659 -1.826 -12.502 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -9.101 -0.894 -10.508 1.00 0.00 N ATOM 0 H ASN A 78 -6.428 -3.108 -12.059 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.904 -0.721 -11.216 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.032 0.464 -10.886 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.814 0.036 -12.571 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.011 -1.351 -10.446 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.786 -0.281 -9.756 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.148 -2.736 -9.362 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.231 -3.325 -8.030 1.00 0.00 C ATOM 1218 C PHE A 79 -3.895 -3.933 -7.610 1.00 0.00 C ATOM 1219 O PHE A 79 -3.522 -5.012 -8.072 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.324 -4.396 -7.989 1.00 0.00 C ATOM 1221 CG PHE A 79 -7.034 -4.482 -6.667 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -6.491 -5.205 -5.616 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.247 -3.838 -6.475 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -7.144 -5.284 -4.399 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -8.904 -3.915 -5.262 1.00 0.00 C ATOM 1226 CZ PHE A 79 -8.352 -4.638 -4.222 1.00 0.00 C ATOM 0 H PHE A 79 -4.369 -3.075 -9.926 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.481 -2.529 -7.329 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.054 -4.188 -8.771 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.880 -5.365 -8.217 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.547 -5.713 -5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.683 -3.270 -7.283 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.710 -5.850 -3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.849 -3.410 -5.127 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.864 -4.698 -3.273 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.180 -3.239 -6.727 1.00 0.00 N ATOM 1237 CA HIS A 80 -1.892 -3.723 -6.243 1.00 0.00 C ATOM 1238 C HIS A 80 -2.026 -4.314 -4.845 1.00 0.00 C ATOM 1239 O HIS A 80 -2.176 -3.589 -3.862 1.00 0.00 O ATOM 1240 CB HIS A 80 -0.855 -2.601 -6.261 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.106 -2.529 -7.556 1.00 0.00 C ATOM 1242 ND1 HIS A 80 0.043 -1.368 -8.285 1.00 0.00 N ATOM 1243 CD2 HIS A 80 0.523 -3.498 -8.266 1.00 0.00 C ATOM 1244 CE1 HIS A 80 0.726 -1.625 -9.386 1.00 0.00 C ATOM 1245 NE2 HIS A 80 1.030 -2.909 -9.397 1.00 0.00 N ATOM 0 H HIS A 80 -3.470 -2.344 -6.334 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.551 -4.513 -6.912 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.353 -1.648 -6.080 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.148 -2.751 -5.445 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -0.318 -0.453 -8.016 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.609 -4.539 -7.992 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.991 -0.906 -10.148 1.00 0.00 H new ATOM 1254 N GLN A 81 -1.992 -5.642 -4.773 1.00 0.00 N ATOM 1255 CA GLN A 81 -2.129 -6.351 -3.504 1.00 0.00 C ATOM 1256 C GLN A 81 -0.854 -7.124 -3.163 1.00 0.00 C ATOM 1257 O GLN A 81 -0.193 -7.672 -4.046 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.338 -7.300 -3.576 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.196 -8.580 -2.762 1.00 0.00 C ATOM 1260 CD GLN A 81 -2.699 -9.746 -3.593 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -3.309 -10.111 -4.599 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -1.586 -10.340 -3.177 1.00 0.00 N ATOM 0 H GLN A 81 -1.870 -6.251 -5.582 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.291 -5.622 -2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.223 -6.764 -3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.511 -7.567 -4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.506 -8.407 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.160 -8.836 -2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.112 -10.005 -2.338 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.205 -11.131 -3.697 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.526 -7.175 -1.873 1.00 0.00 N ATOM 1272 CA TRP A 82 0.659 -7.895 -1.413 1.00 0.00 C ATOM 1273 C TRP A 82 0.419 -8.579 -0.073 1.00 0.00 C ATOM 1274 O TRP A 82 -0.310 -8.071 0.779 1.00 0.00 O ATOM 1275 CB TRP A 82 1.863 -6.960 -1.278 1.00 0.00 C ATOM 1276 CG TRP A 82 1.650 -5.818 -0.329 1.00 0.00 C ATOM 1277 CD1 TRP A 82 2.119 -5.721 0.950 1.00 0.00 C ATOM 1278 CD2 TRP A 82 0.924 -4.609 -0.582 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.739 -4.524 1.503 1.00 0.00 N ATOM 1280 CE2 TRP A 82 1.004 -3.824 0.584 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.217 -4.111 -1.680 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.406 -2.571 0.683 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 -0.377 -2.866 -1.581 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.278 -2.109 -0.407 1.00 0.00 C ATOM 0 H TRP A 82 -1.063 -6.727 -1.130 1.00 0.00 H new ATOM 0 HA TRP A 82 0.869 -8.652 -2.168 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.724 -7.540 -0.944 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.110 -6.560 -2.261 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.704 -6.477 1.453 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.967 -4.207 2.445 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.136 -4.688 -2.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.480 -1.985 1.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.926 -2.471 -2.423 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.752 -1.140 -0.362 1.00 0.00 H new ATOM 1295 N ARG A 83 1.072 -9.720 0.112 1.00 0.00 N ATOM 1296 CA ARG A 83 0.977 -10.474 1.354 1.00 0.00 C ATOM 1297 C ARG A 83 2.300 -10.371 2.098 1.00 0.00 C ATOM 1298 O ARG A 83 3.323 -10.870 1.628 1.00 0.00 O ATOM 1299 CB ARG A 83 0.640 -11.939 1.072 1.00 0.00 C ATOM 1300 CG ARG A 83 0.557 -12.795 2.325 1.00 0.00 C ATOM 1301 CD ARG A 83 -0.167 -14.105 2.058 1.00 0.00 C ATOM 1302 NE ARG A 83 -0.379 -14.873 3.282 1.00 0.00 N ATOM 1303 CZ ARG A 83 -1.064 -16.013 3.333 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -1.605 -16.519 2.233 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -1.208 -16.648 4.488 1.00 0.00 N ATOM 0 H ARG A 83 1.678 -10.145 -0.590 1.00 0.00 H new ATOM 0 HA ARG A 83 0.178 -10.058 1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.312 -11.989 0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.396 -12.356 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.562 -13.002 2.693 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.038 -12.244 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.129 -13.898 1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.411 -14.701 1.352 1.00 0.00 H new ATOM 0 HE ARG A 83 0.022 -14.515 4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.497 -16.034 1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.129 -17.393 2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.794 -16.263 5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.733 -17.522 4.528 1.00 0.00 H new ATOM 1319 N ASP A 84 2.290 -9.696 3.240 1.00 0.00 N ATOM 1320 CA ASP A 84 3.513 -9.510 4.009 1.00 0.00 C ATOM 1321 C ASP A 84 3.682 -10.593 5.081 1.00 0.00 C ATOM 1322 O ASP A 84 4.185 -11.678 4.793 1.00 0.00 O ATOM 1323 CB ASP A 84 3.531 -8.105 4.627 1.00 0.00 C ATOM 1324 CG ASP A 84 4.656 -7.911 5.628 1.00 0.00 C ATOM 1325 OD1 ASP A 84 5.832 -7.933 5.211 1.00 0.00 O ATOM 1326 OD2 ASP A 84 4.358 -7.737 6.828 1.00 0.00 O ATOM 0 H ASP A 84 1.458 -9.272 3.651 1.00 0.00 H new ATOM 0 HA ASP A 84 4.361 -9.606 3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.628 -7.366 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.577 -7.919 5.120 1.00 0.00 H new ATOM 1331 N ALA A 85 3.275 -10.296 6.312 1.00 0.00 N ATOM 1332 CA ALA A 85 3.406 -11.254 7.405 1.00 0.00 C ATOM 1333 C ALA A 85 2.336 -12.334 7.327 1.00 0.00 C ATOM 1334 O ALA A 85 2.627 -13.493 7.031 1.00 0.00 O ATOM 1335 CB ALA A 85 3.337 -10.537 8.744 1.00 0.00 C ATOM 0 H ALA A 85 2.854 -9.405 6.577 1.00 0.00 H new ATOM 0 HA ALA A 85 4.378 -11.739 7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.436 -11.263 9.551 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.146 -9.809 8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.379 -10.024 8.833 1.00 0.00 H new ATOM 1341 N ARG A 86 1.098 -11.949 7.603 1.00 0.00 N ATOM 1342 CA ARG A 86 -0.021 -12.887 7.572 1.00 0.00 C ATOM 1343 C ARG A 86 -1.253 -12.275 6.906 1.00 0.00 C ATOM 1344 O ARG A 86 -2.228 -12.975 6.633 1.00 0.00 O ATOM 1345 CB ARG A 86 -0.369 -13.338 8.994 1.00 0.00 C ATOM 1346 CG ARG A 86 -1.639 -14.174 9.081 1.00 0.00 C ATOM 1347 CD ARG A 86 -1.518 -15.262 10.137 1.00 0.00 C ATOM 1348 NE ARG A 86 -0.329 -16.087 9.938 1.00 0.00 N ATOM 1349 CZ ARG A 86 0.212 -16.847 10.887 1.00 0.00 C ATOM 1350 NH1 ARG A 86 -0.326 -16.892 12.101 1.00 0.00 N ATOM 1351 NH2 ARG A 86 1.293 -17.568 10.623 1.00 0.00 N ATOM 0 H ARG A 86 0.841 -10.994 7.851 1.00 0.00 H new ATOM 0 HA ARG A 86 0.287 -13.749 6.980 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.463 -13.916 9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.481 -12.458 9.627 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.485 -13.529 9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.845 -14.628 8.111 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.481 -14.805 11.126 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.406 -15.893 10.111 1.00 0.00 H new ATOM 0 HE ARG A 86 0.112 -16.080 9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.159 -16.342 12.310 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.094 -17.477 12.824 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.710 -17.540 9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.708 -18.151 11.350 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.211 -10.971 6.648 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.333 -10.290 6.021 1.00 0.00 C ATOM 1367 C GLN A 87 -1.987 -9.867 4.600 1.00 0.00 C ATOM 1368 O GLN A 87 -0.843 -9.988 4.162 1.00 0.00 O ATOM 1369 CB GLN A 87 -2.757 -9.071 6.850 1.00 0.00 C ATOM 1370 CG GLN A 87 -1.851 -7.857 6.690 1.00 0.00 C ATOM 1371 CD GLN A 87 -0.475 -8.067 7.290 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -0.338 -8.324 8.486 1.00 0.00 O ATOM 1373 NE2 GLN A 87 0.553 -7.959 6.457 1.00 0.00 N ATOM 0 H GLN A 87 -0.416 -10.370 6.863 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.168 -10.989 5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.772 -8.791 6.569 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.783 -9.354 7.902 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.748 -7.623 5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.321 -6.994 7.163 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.392 -7.744 5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.504 -8.091 6.801 1.00 0.00 H new ATOM 1382 N VAL A 88 -2.986 -9.363 3.891 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.800 -8.910 2.521 1.00 0.00 C ATOM 1384 C VAL A 88 -3.351 -7.502 2.352 1.00 0.00 C ATOM 1385 O VAL A 88 -4.476 -7.215 2.758 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.490 -9.851 1.514 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -2.952 -9.615 0.113 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.311 -11.306 1.924 1.00 0.00 C ATOM 0 H VAL A 88 -3.937 -9.257 4.244 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.729 -8.914 2.319 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.557 -9.630 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.450 -10.287 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.141 -8.582 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.879 -9.806 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.806 -11.952 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.248 -11.546 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.750 -11.463 2.909 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.550 -6.622 1.767 1.00 0.00 N ATOM 1399 CA TRP A 89 -2.960 -5.239 1.564 1.00 0.00 C ATOM 1400 C TRP A 89 -3.308 -4.973 0.104 1.00 0.00 C ATOM 1401 O TRP A 89 -2.428 -4.716 -0.717 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.848 -4.294 2.015 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.657 -4.263 3.500 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -0.983 -5.177 4.258 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -2.146 -3.268 4.408 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -1.022 -4.812 5.582 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.730 -3.644 5.700 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -2.892 -2.098 4.253 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -2.039 -2.889 6.829 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.196 -1.350 5.375 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.771 -1.747 6.648 1.00 0.00 C ATOM 0 H TRP A 89 -1.614 -6.840 1.425 1.00 0.00 H new ATOM 0 HA TRP A 89 -3.853 -5.060 2.162 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.913 -4.594 1.542 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -2.073 -3.287 1.664 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.491 -6.058 3.873 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.594 -5.326 6.352 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.225 -1.783 3.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.713 -3.194 7.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.772 -0.443 5.267 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.026 -1.140 7.504 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.599 -5.029 -0.212 1.00 0.00 N ATOM 1423 CA GLY A 90 -5.041 -4.787 -1.573 1.00 0.00 C ATOM 1424 C GLY A 90 -5.372 -3.332 -1.821 1.00 0.00 C ATOM 1425 O GLY A 90 -6.209 -2.753 -1.137 1.00 0.00 O ATOM 0 H GLY A 90 -5.346 -5.238 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.262 -5.103 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.920 -5.397 -1.781 1.00 0.00 H new ATOM 1429 N LEU A 91 -4.708 -2.736 -2.801 1.00 0.00 N ATOM 1430 CA LEU A 91 -4.936 -1.336 -3.127 1.00 0.00 C ATOM 1431 C LEU A 91 -5.730 -1.186 -4.417 1.00 0.00 C ATOM 1432 O LEU A 91 -5.223 -1.475 -5.499 1.00 0.00 O ATOM 1433 CB LEU A 91 -3.601 -0.601 -3.263 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.069 0.038 -1.981 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -3.789 1.344 -1.695 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -3.202 -0.920 -0.808 1.00 0.00 C ATOM 0 H LEU A 91 -4.009 -3.198 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.515 -0.899 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.855 -1.304 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.710 0.177 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.011 0.257 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.396 1.783 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.633 2.034 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.856 1.153 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.817 -0.445 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.252 -1.176 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.632 -1.827 -1.012 1.00 0.00 H new ATOM 1448 N ASN A 92 -6.965 -0.712 -4.302 1.00 0.00 N ATOM 1449 CA ASN A 92 -7.800 -0.507 -5.480 1.00 0.00 C ATOM 1450 C ASN A 92 -7.643 0.919 -5.978 1.00 0.00 C ATOM 1451 O ASN A 92 -8.185 1.862 -5.401 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.271 -0.786 -5.180 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.059 -1.153 -6.429 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -11.002 -1.940 -6.365 1.00 0.00 O ATOM 1455 ND2 ASN A 92 -9.682 -0.584 -7.579 1.00 0.00 N ATOM 0 H ASN A 92 -7.407 -0.465 -3.416 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.473 -1.207 -6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.344 -1.598 -4.456 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.718 0.094 -4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.182 -0.798 -8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.895 0.064 -7.593 1.00 0.00 H new ATOM 1462 N PHE A 93 -6.880 1.064 -7.050 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.613 2.365 -7.640 1.00 0.00 C ATOM 1464 C PHE A 93 -7.828 2.919 -8.369 1.00 0.00 C ATOM 1465 O PHE A 93 -8.688 2.171 -8.834 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.431 2.256 -8.593 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.202 1.700 -7.936 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -3.418 2.494 -7.114 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -3.837 0.379 -8.130 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -2.296 1.981 -6.500 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -2.714 -0.139 -7.518 1.00 0.00 C ATOM 1472 CZ PHE A 93 -1.944 0.662 -6.700 1.00 0.00 C ATOM 0 H PHE A 93 -6.430 0.286 -7.533 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.376 3.060 -6.834 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.706 1.620 -9.435 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.206 3.242 -8.999 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.690 3.527 -6.953 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.438 -0.253 -8.767 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.693 2.611 -5.863 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.438 -1.171 -7.679 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.067 0.257 -6.217 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.884 4.244 -8.468 1.00 0.00 N ATOM 1483 CA GLY A 94 -8.992 4.891 -9.145 1.00 0.00 C ATOM 1484 C GLY A 94 -8.699 5.150 -10.609 1.00 0.00 C ATOM 1485 O GLY A 94 -9.613 5.195 -11.434 1.00 0.00 O ATOM 0 H GLY A 94 -7.182 4.880 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.881 4.267 -9.060 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.216 5.835 -8.649 1.00 0.00 H new ATOM 1489 N SER A 95 -7.421 5.319 -10.933 1.00 0.00 N ATOM 1490 CA SER A 95 -7.006 5.572 -12.306 1.00 0.00 C ATOM 1491 C SER A 95 -5.826 4.685 -12.687 1.00 0.00 C ATOM 1492 O SER A 95 -5.166 4.108 -11.821 1.00 0.00 O ATOM 1493 CB SER A 95 -6.633 7.045 -12.486 1.00 0.00 C ATOM 1494 OG SER A 95 -7.506 7.887 -11.752 1.00 0.00 O ATOM 0 H SER A 95 -6.654 5.285 -10.261 1.00 0.00 H new ATOM 0 HA SER A 95 -7.843 5.335 -12.963 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.606 7.206 -12.157 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.674 7.307 -13.543 1.00 0.00 H new ATOM 0 HG SER A 95 -7.245 8.822 -11.883 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.565 4.578 -13.986 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.464 3.759 -14.478 1.00 0.00 C ATOM 1502 C LYS A 96 -3.119 4.332 -14.043 1.00 0.00 C ATOM 1503 O LYS A 96 -2.150 3.595 -13.858 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.520 3.658 -16.004 1.00 0.00 C ATOM 1505 CG LYS A 96 -4.730 4.995 -16.694 1.00 0.00 C ATOM 1506 CD LYS A 96 -3.958 5.074 -18.001 1.00 0.00 C ATOM 1507 CE LYS A 96 -3.659 6.513 -18.385 1.00 0.00 C ATOM 1508 NZ LYS A 96 -4.754 7.110 -19.200 1.00 0.00 N ATOM 0 H LYS A 96 -6.101 5.048 -14.716 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.567 2.762 -14.050 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.592 3.214 -16.365 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.327 2.982 -16.286 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.792 5.143 -16.888 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.412 5.801 -16.033 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.024 4.520 -17.907 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.534 4.597 -18.794 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.513 7.107 -17.483 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.726 6.552 -18.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.511 8.092 -19.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.877 6.559 -20.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.640 7.096 -18.655 1.00 0.00 H new ATOM 1522 N GLU A 97 -3.066 5.651 -13.882 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.836 6.320 -13.470 1.00 0.00 C ATOM 1524 C GLU A 97 -1.483 5.975 -12.028 1.00 0.00 C ATOM 1525 O GLU A 97 -0.366 5.546 -11.739 1.00 0.00 O ATOM 1526 CB GLU A 97 -1.979 7.836 -13.625 1.00 0.00 C ATOM 1527 CG GLU A 97 -1.638 8.340 -15.017 1.00 0.00 C ATOM 1528 CD GLU A 97 -1.099 9.757 -15.009 1.00 0.00 C ATOM 1529 OE1 GLU A 97 -1.722 10.625 -14.361 1.00 0.00 O ATOM 1530 OE2 GLU A 97 -0.053 9.999 -15.648 1.00 0.00 O ATOM 0 H GLU A 97 -3.858 6.276 -14.030 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.029 5.970 -14.114 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.003 8.122 -13.385 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.332 8.330 -12.900 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.900 7.677 -15.469 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.529 8.298 -15.643 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.442 6.159 -11.125 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.230 5.861 -9.712 1.00 0.00 C ATOM 1539 C ASP A 98 -1.632 4.468 -9.540 1.00 0.00 C ATOM 1540 O ASP A 98 -0.560 4.306 -8.956 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.551 5.961 -8.947 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.263 7.277 -9.191 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.812 8.306 -8.646 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.272 7.279 -9.929 1.00 0.00 O ATOM 0 H ASP A 98 -3.373 6.513 -11.346 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.529 6.592 -9.308 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.202 5.139 -9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.359 5.847 -7.880 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.335 3.467 -10.060 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.886 2.083 -9.977 1.00 0.00 C ATOM 1551 C ALA A 99 -0.454 1.927 -10.482 1.00 0.00 C ATOM 1552 O ALA A 99 0.346 1.203 -9.888 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.822 1.186 -10.772 1.00 0.00 C ATOM 0 H ALA A 99 -3.223 3.591 -10.546 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.903 1.786 -8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.480 0.153 -10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.831 1.261 -10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.827 1.500 -11.816 1.00 0.00 H new ATOM 1559 N ALA A 100 -0.136 2.603 -11.581 1.00 0.00 N ATOM 1560 CA ALA A 100 1.200 2.528 -12.162 1.00 0.00 C ATOM 1561 C ALA A 100 2.224 3.258 -11.298 1.00 0.00 C ATOM 1562 O ALA A 100 3.394 2.878 -11.253 1.00 0.00 O ATOM 1563 CB ALA A 100 1.194 3.099 -13.572 1.00 0.00 C ATOM 0 H ALA A 100 -0.783 3.208 -12.086 1.00 0.00 H new ATOM 0 HA ALA A 100 1.488 1.478 -12.206 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.197 3.037 -13.994 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.503 2.528 -14.193 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.877 4.142 -13.541 1.00 0.00 H new ATOM 1569 N GLN A 101 1.779 4.311 -10.621 1.00 0.00 N ATOM 1570 CA GLN A 101 2.663 5.096 -9.766 1.00 0.00 C ATOM 1571 C GLN A 101 2.967 4.362 -8.463 1.00 0.00 C ATOM 1572 O GLN A 101 4.123 4.270 -8.043 1.00 0.00 O ATOM 1573 CB GLN A 101 2.034 6.457 -9.463 1.00 0.00 C ATOM 1574 CG GLN A 101 3.026 7.482 -8.938 1.00 0.00 C ATOM 1575 CD GLN A 101 4.132 7.782 -9.931 1.00 0.00 C ATOM 1576 OE1 GLN A 101 4.089 8.787 -10.641 1.00 0.00 O ATOM 1577 NE2 GLN A 101 5.130 6.909 -9.985 1.00 0.00 N ATOM 0 H GLN A 101 0.814 4.640 -10.647 1.00 0.00 H new ATOM 0 HA GLN A 101 3.601 5.244 -10.300 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.570 6.844 -10.371 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.238 6.325 -8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.497 8.405 -8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.465 7.116 -8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.124 6.090 -9.378 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.903 7.057 -10.634 1.00 0.00 H new ATOM 1586 N PHE A 102 1.922 3.842 -7.822 1.00 0.00 N ATOM 1587 CA PHE A 102 2.082 3.122 -6.563 1.00 0.00 C ATOM 1588 C PHE A 102 3.148 2.037 -6.692 1.00 0.00 C ATOM 1589 O PHE A 102 4.087 1.981 -5.895 1.00 0.00 O ATOM 1590 CB PHE A 102 0.745 2.522 -6.114 1.00 0.00 C ATOM 1591 CG PHE A 102 0.656 2.312 -4.629 1.00 0.00 C ATOM 1592 CD1 PHE A 102 0.978 3.344 -3.762 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.256 1.090 -4.095 1.00 0.00 C ATOM 1594 CE1 PHE A 102 0.905 3.169 -2.395 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.182 0.915 -2.725 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.506 1.954 -1.875 1.00 0.00 C ATOM 0 H PHE A 102 0.959 3.906 -8.153 1.00 0.00 H new ATOM 0 HA PHE A 102 2.412 3.830 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.065 3.180 -6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.596 1.567 -6.618 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.290 4.298 -4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.002 0.274 -4.755 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.160 3.983 -1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.130 -0.036 -2.319 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.447 1.816 -0.805 1.00 0.00 H new ATOM 1606 N ALA A 103 3.013 1.186 -7.705 1.00 0.00 N ATOM 1607 CA ALA A 103 3.980 0.124 -7.938 1.00 0.00 C ATOM 1608 C ALA A 103 5.360 0.706 -8.214 1.00 0.00 C ATOM 1609 O ALA A 103 6.379 0.110 -7.865 1.00 0.00 O ATOM 1610 CB ALA A 103 3.539 -0.746 -9.102 1.00 0.00 C ATOM 0 H ALA A 103 2.244 1.213 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 103 4.036 -0.491 -7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.272 -1.536 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.570 -1.191 -8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.458 -0.136 -10.002 1.00 0.00 H new ATOM 1616 N ALA A 104 5.383 1.879 -8.845 1.00 0.00 N ATOM 1617 CA ALA A 104 6.635 2.555 -9.174 1.00 0.00 C ATOM 1618 C ALA A 104 7.596 2.540 -7.992 1.00 0.00 C ATOM 1619 O ALA A 104 8.649 1.901 -8.037 1.00 0.00 O ATOM 1620 CB ALA A 104 6.356 3.988 -9.605 1.00 0.00 C ATOM 0 H ALA A 104 4.545 2.382 -9.139 1.00 0.00 H new ATOM 0 HA ALA A 104 7.105 2.017 -9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.295 4.484 -9.848 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.709 3.985 -10.483 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.863 4.523 -8.793 1.00 0.00 H new ATOM 1626 N GLY A 105 7.218 3.237 -6.930 1.00 0.00 N ATOM 1627 CA GLY A 105 8.055 3.281 -5.745 1.00 0.00 C ATOM 1628 C GLY A 105 8.116 1.943 -5.054 1.00 0.00 C ATOM 1629 O GLY A 105 9.189 1.478 -4.670 1.00 0.00 O ATOM 0 H GLY A 105 6.351 3.771 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.062 3.593 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.668 4.030 -5.054 1.00 0.00 H new ATOM 1633 N MET A 106 6.954 1.320 -4.900 1.00 0.00 N ATOM 1634 CA MET A 106 6.863 0.020 -4.258 1.00 0.00 C ATOM 1635 C MET A 106 7.903 -0.928 -4.831 1.00 0.00 C ATOM 1636 O MET A 106 8.778 -1.414 -4.115 1.00 0.00 O ATOM 1637 CB MET A 106 5.468 -0.562 -4.453 1.00 0.00 C ATOM 1638 CG MET A 106 5.323 -1.956 -3.885 1.00 0.00 C ATOM 1639 SD MET A 106 5.034 -1.943 -2.109 1.00 0.00 S ATOM 1640 CE MET A 106 5.227 -3.682 -1.759 1.00 0.00 C ATOM 0 H MET A 106 6.060 1.698 -5.213 1.00 0.00 H new ATOM 0 HA MET A 106 7.052 0.145 -3.192 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.737 0.094 -3.980 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.235 -0.584 -5.518 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.496 -2.464 -4.382 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.225 -2.529 -4.100 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.287 -4.084 -1.381 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.505 -4.208 -2.672 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.007 -3.818 -1.010 1.00 0.00 H new ATOM 1650 N ALA A 107 7.806 -1.175 -6.132 1.00 0.00 N ATOM 1651 CA ALA A 107 8.748 -2.051 -6.815 1.00 0.00 C ATOM 1652 C ALA A 107 10.174 -1.681 -6.433 1.00 0.00 C ATOM 1653 O ALA A 107 11.034 -2.548 -6.276 1.00 0.00 O ATOM 1654 CB ALA A 107 8.559 -1.964 -8.323 1.00 0.00 C ATOM 0 H ALA A 107 7.084 -0.780 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 107 8.559 -3.079 -6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.271 -2.625 -8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.544 -2.266 -8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.727 -0.939 -8.652 1.00 0.00 H new ATOM 1660 N SER A 108 10.407 -0.383 -6.265 1.00 0.00 N ATOM 1661 CA SER A 108 11.718 0.112 -5.875 1.00 0.00 C ATOM 1662 C SER A 108 12.070 -0.382 -4.477 1.00 0.00 C ATOM 1663 O SER A 108 13.232 -0.661 -4.180 1.00 0.00 O ATOM 1664 CB SER A 108 11.746 1.641 -5.914 1.00 0.00 C ATOM 1665 OG SER A 108 13.067 2.123 -6.092 1.00 0.00 O ATOM 0 H SER A 108 9.703 0.344 -6.394 1.00 0.00 H new ATOM 0 HA SER A 108 12.456 -0.267 -6.581 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.113 1.999 -6.726 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.332 2.039 -4.988 1.00 0.00 H new ATOM 0 HG SER A 108 13.057 3.103 -6.115 1.00 0.00 H new ATOM 1671 N ALA A 109 11.054 -0.501 -3.624 1.00 0.00 N ATOM 1672 CA ALA A 109 11.255 -0.978 -2.258 1.00 0.00 C ATOM 1673 C ALA A 109 11.599 -2.459 -2.254 1.00 0.00 C ATOM 1674 O ALA A 109 12.581 -2.881 -1.649 1.00 0.00 O ATOM 1675 CB ALA A 109 10.011 -0.727 -1.413 1.00 0.00 C ATOM 0 H ALA A 109 10.086 -0.274 -3.854 1.00 0.00 H new ATOM 0 HA ALA A 109 12.088 -0.425 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.181 -1.089 -0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.799 0.342 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.162 -1.254 -1.849 1.00 0.00 H new ATOM 1681 N LEU A 110 10.776 -3.238 -2.939 1.00 0.00 N ATOM 1682 CA LEU A 110 10.971 -4.681 -3.029 1.00 0.00 C ATOM 1683 C LEU A 110 12.276 -5.018 -3.749 1.00 0.00 C ATOM 1684 O LEU A 110 12.782 -6.135 -3.645 1.00 0.00 O ATOM 1685 CB LEU A 110 9.787 -5.332 -3.758 1.00 0.00 C ATOM 1686 CG LEU A 110 8.454 -4.583 -3.639 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.344 -5.329 -4.358 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.096 -4.361 -2.176 1.00 0.00 C ATOM 0 H LEU A 110 9.960 -2.894 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 110 11.029 -5.076 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.039 -5.426 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.654 -6.342 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 110 8.567 -3.610 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.410 -4.776 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.596 -5.427 -5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.228 -6.320 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.147 -3.828 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.007 -5.324 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.877 -3.772 -1.696 1.00 0.00 H new ATOM 1700 N GLU A 111 12.812 -4.048 -4.483 1.00 0.00 N ATOM 1701 CA GLU A 111 14.052 -4.245 -5.227 1.00 0.00 C ATOM 1702 C GLU A 111 15.256 -3.692 -4.479 1.00 0.00 C ATOM 1703 O GLU A 111 16.393 -4.092 -4.727 1.00 0.00 O ATOM 1704 CB GLU A 111 13.947 -3.578 -6.591 1.00 0.00 C ATOM 1705 CG GLU A 111 13.481 -4.528 -7.668 1.00 0.00 C ATOM 1706 CD GLU A 111 13.689 -3.982 -9.067 1.00 0.00 C ATOM 1707 OE1 GLU A 111 12.877 -3.139 -9.502 1.00 0.00 O ATOM 1708 OE2 GLU A 111 14.665 -4.397 -9.728 1.00 0.00 O ATOM 0 H GLU A 111 12.407 -3.117 -4.579 1.00 0.00 H new ATOM 0 HA GLU A 111 14.198 -5.318 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.255 -2.738 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.919 -3.170 -6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.016 -5.472 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.423 -4.744 -7.522 1.00 0.00 H new ATOM 1715 N ALA A 112 14.997 -2.785 -3.554 1.00 0.00 N ATOM 1716 CA ALA A 112 16.059 -2.188 -2.757 1.00 0.00 C ATOM 1717 C ALA A 112 16.161 -2.892 -1.417 1.00 0.00 C ATOM 1718 O ALA A 112 16.997 -2.552 -0.581 1.00 0.00 O ATOM 1719 CB ALA A 112 15.809 -0.702 -2.553 1.00 0.00 C ATOM 0 H ALA A 112 14.061 -2.444 -3.335 1.00 0.00 H new ATOM 0 HA ALA A 112 17.001 -2.306 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.615 -0.276 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.773 -0.203 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 112 14.860 -0.560 -2.036 1.00 0.00 H new ATOM 1725 N LEU A 113 15.290 -3.872 -1.221 1.00 0.00 N ATOM 1726 CA LEU A 113 15.258 -4.628 0.010 1.00 0.00 C ATOM 1727 C LEU A 113 15.597 -6.091 -0.258 1.00 0.00 C ATOM 1728 O LEU A 113 16.212 -6.759 0.572 1.00 0.00 O ATOM 1729 CB LEU A 113 13.873 -4.485 0.640 1.00 0.00 C ATOM 1730 CG LEU A 113 13.835 -3.766 1.994 1.00 0.00 C ATOM 1731 CD1 LEU A 113 14.227 -4.720 3.113 1.00 0.00 C ATOM 1732 CD2 LEU A 113 14.751 -2.547 1.988 1.00 0.00 C ATOM 0 H LEU A 113 14.593 -4.159 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 113 16.005 -4.242 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.230 -3.946 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.445 -5.480 0.764 1.00 0.00 H new ATOM 0 HG LEU A 113 12.815 -3.424 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.195 -4.194 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.531 -5.558 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.236 -5.092 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.707 -2.054 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.775 -2.862 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.427 -1.852 1.213 1.00 0.00 H new ATOM 1744 N GLU A 114 15.205 -6.575 -1.435 1.00 0.00 N ATOM 1745 CA GLU A 114 15.478 -7.953 -1.824 1.00 0.00 C ATOM 1746 C GLU A 114 16.763 -8.038 -2.644 1.00 0.00 C ATOM 1747 O GLU A 114 17.444 -9.062 -2.641 1.00 0.00 O ATOM 1748 CB GLU A 114 14.308 -8.521 -2.629 1.00 0.00 C ATOM 1749 CG GLU A 114 13.005 -8.582 -1.849 1.00 0.00 C ATOM 1750 CD GLU A 114 12.197 -9.827 -2.160 1.00 0.00 C ATOM 1751 OE1 GLU A 114 12.808 -10.902 -2.337 1.00 0.00 O ATOM 1752 OE2 GLU A 114 10.954 -9.727 -2.225 1.00 0.00 O ATOM 0 H GLU A 114 14.698 -6.032 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 114 15.604 -8.544 -0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.160 -7.910 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.565 -9.524 -2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.223 -8.552 -0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 114 12.408 -7.699 -2.077 1.00 0.00 H new ATOM 1759 N GLY A 115 17.086 -6.955 -3.344 1.00 0.00 N ATOM 1760 CA GLY A 115 18.289 -6.931 -4.157 1.00 0.00 C ATOM 1761 C GLY A 115 19.086 -5.655 -3.977 1.00 0.00 C ATOM 1762 O GLY A 115 20.195 -5.562 -4.544 1.00 0.00 O ATOM 1763 OXT GLY A 115 18.600 -4.746 -3.271 1.00 0.00 O ATOM 0 H GLY A 115 16.538 -6.095 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 115 18.915 -7.786 -3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 115 18.016 -7.040 -5.207 1.00 0.00 H new