USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 685 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 13 GLN : amide:sc= 0.907 K(o=1.7,f=1.2) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.795 K(o=1.7,f=1.2) USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.172) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.00748 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.207 X(o=0.21,f=-0.037) USER MOD Single : A 4 TYR OH : rot -149:sc= 1.28 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.68 X(o=-2.7,f=-2.5) USER MOD Single : A 23 MET CE :methyl 177:sc= 0 (180deg=-0.0195) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0.845 (180deg=0.774) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.13) USER MOD Single : A 35 LYS NZ :NH3+ -129:sc= 1.97 (180deg=-0.0129) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 54 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 55 SER OG : rot 84:sc= 1.2 USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 1.03 (180deg=0.953) USER MOD Single : A 62 ASN : amide:sc= 0.806 K(o=0.81,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 67 SER OG : rot -150:sc= 0.096 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00229 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.171 K(o=0.17,f=-1.5) USER MOD Single : A 84 HIS : no HD1:sc=-0.00532 X(o=-0.0053,f=-0.0053) USER MOD Single : A 87 SER OG : rot -140:sc= 0.955 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.391 -0.491 -1.187 1.00 0.00 N ATOM 2 CA MET A 1 1.080 -0.343 -1.335 1.00 0.00 C ATOM 3 C MET A 1 1.726 -1.717 -1.526 1.00 0.00 C ATOM 4 O MET A 1 1.385 -2.667 -0.820 1.00 0.00 O ATOM 5 CB MET A 1 1.724 0.360 -0.125 1.00 0.00 C ATOM 6 CG MET A 1 1.476 1.875 -0.082 1.00 0.00 C ATOM 7 SD MET A 1 2.188 2.833 -1.453 1.00 0.00 S ATOM 8 CE MET A 1 3.958 2.699 -1.072 1.00 0.00 C ATOM 0 H1 MET A 1 -0.727 0.127 -0.421 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.858 -0.224 -2.077 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.619 -1.480 -0.959 1.00 0.00 H new ATOM 0 HA MET A 1 1.253 0.281 -2.212 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.338 -0.088 0.791 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.799 0.178 -0.141 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.400 2.047 -0.064 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.877 2.263 0.854 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.521 3.377 -1.713 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.126 2.963 -0.028 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.291 1.676 -1.245 1.00 0.00 H new ATOM 20 N LEU A 2 2.669 -1.825 -2.465 1.00 0.00 N ATOM 21 CA LEU A 2 3.451 -3.026 -2.758 1.00 0.00 C ATOM 22 C LEU A 2 4.882 -2.598 -3.094 1.00 0.00 C ATOM 23 O LEU A 2 5.201 -1.404 -3.096 1.00 0.00 O ATOM 24 CB LEU A 2 2.829 -3.797 -3.949 1.00 0.00 C ATOM 25 CG LEU A 2 1.496 -4.516 -3.673 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.969 -5.127 -4.976 1.00 0.00 C ATOM 27 CD2 LEU A 2 1.646 -5.626 -2.624 1.00 0.00 C ATOM 0 H LEU A 2 2.919 -1.041 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 2 3.453 -3.688 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.676 -3.095 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.552 -4.537 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 2 0.797 -3.777 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.025 -5.637 -4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.811 -4.337 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.695 -5.842 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.681 -6.106 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.364 -6.366 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.000 -5.196 -1.687 1.00 0.00 H new ATOM 39 N GLN A 3 5.737 -3.573 -3.396 1.00 0.00 N ATOM 40 CA GLN A 3 7.107 -3.382 -3.836 1.00 0.00 C ATOM 41 C GLN A 3 7.385 -4.342 -4.992 1.00 0.00 C ATOM 42 O GLN A 3 6.795 -5.423 -5.066 1.00 0.00 O ATOM 43 CB GLN A 3 8.044 -3.626 -2.635 1.00 0.00 C ATOM 44 CG GLN A 3 9.528 -3.799 -2.993 1.00 0.00 C ATOM 45 CD GLN A 3 10.434 -3.892 -1.768 1.00 0.00 C ATOM 46 OE1 GLN A 3 10.907 -4.964 -1.400 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.734 -2.761 -1.157 1.00 0.00 N ATOM 0 H GLN A 3 5.478 -4.558 -3.336 1.00 0.00 H new ATOM 0 HA GLN A 3 7.278 -2.367 -4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.948 -2.789 -1.943 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.707 -4.518 -2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.648 -4.700 -3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.847 -2.959 -3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.328 -1.883 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.371 -2.765 -0.361 1.00 0.00 H new ATOM 56 N TYR A 4 8.345 -3.990 -5.846 1.00 0.00 N ATOM 57 CA TYR A 4 9.034 -4.959 -6.681 1.00 0.00 C ATOM 58 C TYR A 4 10.518 -4.629 -6.781 1.00 0.00 C ATOM 59 O TYR A 4 10.963 -3.540 -6.398 1.00 0.00 O ATOM 60 CB TYR A 4 8.350 -5.111 -8.052 1.00 0.00 C ATOM 61 CG TYR A 4 8.120 -3.884 -8.912 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.150 -2.962 -9.200 1.00 0.00 C ATOM 63 CD2 TYR A 4 6.874 -3.755 -9.552 1.00 0.00 C ATOM 64 CE1 TYR A 4 8.939 -1.930 -10.129 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.662 -2.738 -10.490 1.00 0.00 C ATOM 66 CZ TYR A 4 7.699 -1.829 -10.792 1.00 0.00 C ATOM 67 OH TYR A 4 7.521 -0.879 -11.741 1.00 0.00 O ATOM 0 H TYR A 4 8.662 -3.029 -5.975 1.00 0.00 H new ATOM 0 HA TYR A 4 8.965 -5.937 -6.206 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.944 -5.813 -8.637 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.380 -5.578 -7.883 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.105 -3.051 -8.703 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.076 -4.445 -9.318 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.723 -1.217 -10.335 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.705 -2.649 -10.983 1.00 0.00 H new ATOM 0 HH TYR A 4 6.581 -0.602 -11.755 1.00 0.00 H new ATOM 77 N ARG A 5 11.272 -5.572 -7.340 1.00 0.00 N ATOM 78 CA ARG A 5 12.666 -5.424 -7.727 1.00 0.00 C ATOM 79 C ARG A 5 12.750 -5.998 -9.136 1.00 0.00 C ATOM 80 O ARG A 5 12.167 -7.053 -9.394 1.00 0.00 O ATOM 81 CB ARG A 5 13.548 -6.166 -6.708 1.00 0.00 C ATOM 82 CG ARG A 5 15.033 -5.769 -6.759 1.00 0.00 C ATOM 83 CD ARG A 5 15.766 -6.455 -5.596 1.00 0.00 C ATOM 84 NE ARG A 5 17.109 -5.898 -5.358 1.00 0.00 N ATOM 85 CZ ARG A 5 17.958 -6.288 -4.399 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.657 -7.284 -3.570 1.00 0.00 N ATOM 87 NH2 ARG A 5 19.123 -5.661 -4.296 1.00 0.00 N ATOM 0 H ARG A 5 10.907 -6.503 -7.544 1.00 0.00 H new ATOM 0 HA ARG A 5 13.020 -4.393 -7.731 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.166 -5.975 -5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.463 -7.239 -6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.472 -6.068 -7.711 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.138 -4.687 -6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.171 -6.355 -4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.852 -7.521 -5.805 1.00 0.00 H new ATOM 0 HE ARG A 5 17.419 -5.150 -5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.763 -7.768 -3.658 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.320 -7.564 -2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.353 -4.903 -4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 5 19.789 -5.937 -3.575 1.00 0.00 H new ATOM 101 N ILE A 6 13.402 -5.295 -10.053 1.00 0.00 N ATOM 102 CA ILE A 6 13.437 -5.625 -11.472 1.00 0.00 C ATOM 103 C ILE A 6 14.900 -5.556 -11.891 1.00 0.00 C ATOM 104 O ILE A 6 15.607 -4.625 -11.504 1.00 0.00 O ATOM 105 CB ILE A 6 12.516 -4.669 -12.280 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.052 -4.824 -11.805 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.619 -4.918 -13.797 1.00 0.00 C ATOM 108 CD1 ILE A 6 10.000 -4.034 -12.593 1.00 0.00 C ATOM 0 H ILE A 6 13.936 -4.456 -9.824 1.00 0.00 H new ATOM 0 HA ILE A 6 13.050 -6.624 -11.673 1.00 0.00 H new ATOM 0 HB ILE A 6 12.850 -3.648 -12.096 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.788 -5.881 -11.845 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.997 -4.521 -10.759 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.959 -4.229 -14.324 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.647 -4.758 -14.123 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.324 -5.944 -14.018 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.013 -4.220 -12.170 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.225 -2.969 -12.534 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.013 -4.350 -13.636 1.00 0.00 H new ATOM 120 N ILE A 7 15.349 -6.521 -12.688 1.00 0.00 N ATOM 121 CA ILE A 7 16.680 -6.545 -13.279 1.00 0.00 C ATOM 122 C ILE A 7 16.454 -6.380 -14.780 1.00 0.00 C ATOM 123 O ILE A 7 15.520 -6.977 -15.320 1.00 0.00 O ATOM 124 CB ILE A 7 17.429 -7.863 -12.956 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.257 -8.394 -11.512 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.924 -7.718 -13.290 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.629 -7.419 -10.389 1.00 0.00 C ATOM 0 H ILE A 7 14.781 -7.328 -12.946 1.00 0.00 H new ATOM 0 HA ILE A 7 17.311 -5.753 -12.876 1.00 0.00 H new ATOM 0 HB ILE A 7 16.958 -8.614 -13.590 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.217 -8.693 -11.377 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.864 -9.293 -11.402 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.440 -8.650 -13.059 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.040 -7.492 -14.350 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.352 -6.909 -12.698 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.469 -7.898 -9.423 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.678 -7.137 -10.485 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.006 -6.528 -10.460 1.00 0.00 H new ATOM 139 N VAL A 8 17.293 -5.600 -15.456 1.00 0.00 N ATOM 140 CA VAL A 8 17.175 -5.320 -16.882 1.00 0.00 C ATOM 141 C VAL A 8 18.575 -5.462 -17.475 1.00 0.00 C ATOM 142 O VAL A 8 19.556 -5.002 -16.884 1.00 0.00 O ATOM 143 CB VAL A 8 16.573 -3.913 -17.121 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.205 -3.715 -18.599 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.303 -3.650 -16.291 1.00 0.00 C ATOM 0 H VAL A 8 18.089 -5.136 -15.018 1.00 0.00 H new ATOM 0 HA VAL A 8 16.494 -6.017 -17.369 1.00 0.00 H new ATOM 0 HB VAL A 8 17.350 -3.213 -16.812 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.785 -2.719 -18.739 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.099 -3.821 -19.214 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.470 -4.464 -18.894 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.930 -2.648 -16.504 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.540 -4.384 -16.551 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.538 -3.732 -15.230 1.00 0.00 H new ATOM 155 N ASP A 9 18.665 -6.101 -18.637 1.00 0.00 N ATOM 156 CA ASP A 9 19.909 -6.444 -19.313 1.00 0.00 C ATOM 157 C ASP A 9 19.803 -6.029 -20.778 1.00 0.00 C ATOM 158 O ASP A 9 18.700 -6.019 -21.334 1.00 0.00 O ATOM 159 CB ASP A 9 20.121 -7.956 -19.246 1.00 0.00 C ATOM 160 CG ASP A 9 21.439 -8.371 -19.917 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.460 -7.671 -19.721 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.470 -9.421 -20.595 1.00 0.00 O ATOM 0 H ASP A 9 17.840 -6.406 -19.153 1.00 0.00 H new ATOM 0 HA ASP A 9 20.743 -5.932 -18.833 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.125 -8.278 -18.205 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.288 -8.463 -19.733 1.00 0.00 H new ATOM 167 N GLY A 10 20.933 -5.703 -21.404 1.00 0.00 N ATOM 168 CA GLY A 10 21.012 -5.346 -22.812 1.00 0.00 C ATOM 169 C GLY A 10 21.813 -4.067 -23.002 1.00 0.00 C ATOM 170 O GLY A 10 22.618 -3.690 -22.143 1.00 0.00 O ATOM 0 H GLY A 10 21.837 -5.681 -20.932 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.477 -6.158 -23.372 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.008 -5.215 -23.215 1.00 0.00 H new ATOM 174 N ARG A 11 21.588 -3.378 -24.124 1.00 0.00 N ATOM 175 CA ARG A 11 22.087 -2.020 -24.315 1.00 0.00 C ATOM 176 C ARG A 11 21.239 -1.108 -23.436 1.00 0.00 C ATOM 177 O ARG A 11 20.220 -0.600 -23.902 1.00 0.00 O ATOM 178 CB ARG A 11 22.062 -1.623 -25.806 1.00 0.00 C ATOM 179 CG ARG A 11 22.685 -0.232 -26.026 1.00 0.00 C ATOM 180 CD ARG A 11 22.718 0.185 -27.502 1.00 0.00 C ATOM 181 NE ARG A 11 21.371 0.467 -28.037 1.00 0.00 N ATOM 182 CZ ARG A 11 20.748 -0.170 -29.036 1.00 0.00 C ATOM 183 NH1 ARG A 11 21.285 -1.238 -29.623 1.00 0.00 N ATOM 184 NH2 ARG A 11 19.569 0.286 -29.437 1.00 0.00 N ATOM 0 H ARG A 11 21.060 -3.744 -24.916 1.00 0.00 H new ATOM 0 HA ARG A 11 23.133 -1.934 -24.019 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.607 -2.364 -26.391 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.034 -1.624 -26.168 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.119 0.507 -25.458 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.701 -0.229 -25.631 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.343 1.071 -27.613 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.181 -0.607 -28.090 1.00 0.00 H new ATOM 0 HE ARG A 11 20.859 1.231 -27.597 1.00 0.00 H new ATOM 0 HH11 ARG A 11 22.191 -1.588 -29.313 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.790 -1.706 -30.382 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.158 1.104 -28.986 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.073 -0.181 -30.196 1.00 0.00 H new ATOM 198 N VAL A 12 21.635 -0.928 -22.178 1.00 0.00 N ATOM 199 CA VAL A 12 20.971 -0.032 -21.230 1.00 0.00 C ATOM 200 C VAL A 12 21.988 0.850 -20.484 1.00 0.00 C ATOM 201 O VAL A 12 21.699 2.010 -20.189 1.00 0.00 O ATOM 202 CB VAL A 12 20.043 -0.828 -20.277 1.00 0.00 C ATOM 203 CG1 VAL A 12 18.757 -1.273 -20.990 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.691 -2.064 -19.634 1.00 0.00 C ATOM 0 H VAL A 12 22.441 -1.409 -21.780 1.00 0.00 H new ATOM 0 HA VAL A 12 20.333 0.652 -21.789 1.00 0.00 H new ATOM 0 HB VAL A 12 19.821 -0.123 -19.476 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.129 -1.828 -20.294 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.216 -0.396 -21.346 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.012 -1.911 -21.836 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.968 -2.557 -18.984 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.009 -2.756 -20.414 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.556 -1.757 -19.047 1.00 0.00 H new ATOM 214 N GLN A 13 23.210 0.366 -20.239 1.00 0.00 N ATOM 215 CA GLN A 13 24.190 1.106 -19.438 1.00 0.00 C ATOM 216 C GLN A 13 24.939 2.127 -20.297 1.00 0.00 C ATOM 217 O GLN A 13 25.133 3.263 -19.866 1.00 0.00 O ATOM 218 CB GLN A 13 25.167 0.148 -18.732 1.00 0.00 C ATOM 219 CG GLN A 13 24.450 -0.719 -17.679 1.00 0.00 C ATOM 220 CD GLN A 13 25.398 -1.486 -16.749 1.00 0.00 C ATOM 221 OE1 GLN A 13 26.573 -1.701 -17.038 1.00 0.00 O ATOM 222 NE2 GLN A 13 24.903 -1.898 -15.592 1.00 0.00 N ATOM 0 H GLN A 13 23.544 -0.534 -20.584 1.00 0.00 H new ATOM 0 HA GLN A 13 23.648 1.653 -18.666 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.644 -0.496 -19.471 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.959 0.723 -18.252 1.00 0.00 H new ATOM 0 HG2 GLN A 13 23.805 -0.080 -17.076 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.804 -1.432 -18.190 1.00 0.00 H new ATOM 0 HE21 GLN A 13 23.927 -1.715 -15.361 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.498 -2.398 -14.932 1.00 0.00 H new ATOM 231 N GLY A 14 25.278 1.769 -21.542 1.00 0.00 N ATOM 232 CA GLY A 14 25.961 2.655 -22.486 1.00 0.00 C ATOM 233 C GLY A 14 25.062 3.769 -23.038 1.00 0.00 C ATOM 234 O GLY A 14 25.513 4.565 -23.862 1.00 0.00 O ATOM 0 H GLY A 14 25.082 0.844 -21.924 1.00 0.00 H new ATOM 0 HA2 GLY A 14 26.822 3.105 -21.992 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.344 2.062 -23.317 1.00 0.00 H new ATOM 238 N VAL A 15 23.801 3.827 -22.598 1.00 0.00 N ATOM 239 CA VAL A 15 22.762 4.731 -23.085 1.00 0.00 C ATOM 240 C VAL A 15 22.053 5.438 -21.913 1.00 0.00 C ATOM 241 O VAL A 15 21.042 6.112 -22.115 1.00 0.00 O ATOM 242 CB VAL A 15 21.804 3.953 -24.020 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.493 3.564 -25.338 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.252 2.677 -23.367 1.00 0.00 C ATOM 0 H VAL A 15 23.464 3.213 -21.856 1.00 0.00 H new ATOM 0 HA VAL A 15 23.206 5.532 -23.677 1.00 0.00 H new ATOM 0 HB VAL A 15 20.976 4.633 -24.221 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.790 3.020 -25.969 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.823 4.465 -25.856 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.355 2.932 -25.125 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.586 2.170 -24.065 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.078 2.015 -23.107 1.00 0.00 H new ATOM 0 HG23 VAL A 15 20.700 2.940 -22.465 1.00 0.00 H new ATOM 254 N GLY A 16 22.593 5.326 -20.689 1.00 0.00 N ATOM 255 CA GLY A 16 22.152 6.113 -19.542 1.00 0.00 C ATOM 256 C GLY A 16 20.752 5.749 -19.050 1.00 0.00 C ATOM 257 O GLY A 16 20.051 6.619 -18.531 1.00 0.00 O ATOM 0 H GLY A 16 23.353 4.680 -20.473 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.861 5.978 -18.725 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.171 7.170 -19.809 1.00 0.00 H new ATOM 261 N PHE A 17 20.332 4.486 -19.193 1.00 0.00 N ATOM 262 CA PHE A 17 18.994 4.033 -18.809 1.00 0.00 C ATOM 263 C PHE A 17 18.643 4.381 -17.359 1.00 0.00 C ATOM 264 O PHE A 17 17.484 4.675 -17.073 1.00 0.00 O ATOM 265 CB PHE A 17 18.879 2.526 -19.066 1.00 0.00 C ATOM 266 CG PHE A 17 17.566 1.874 -18.676 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.343 2.398 -19.139 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.566 0.721 -17.867 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.133 1.776 -18.791 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.358 0.087 -17.538 1.00 0.00 C ATOM 271 CZ PHE A 17 15.142 0.610 -18.005 1.00 0.00 C ATOM 0 H PHE A 17 20.917 3.746 -19.581 1.00 0.00 H new ATOM 0 HA PHE A 17 18.268 4.564 -19.424 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.047 2.347 -20.128 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.683 2.025 -18.527 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.336 3.280 -19.763 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.500 0.323 -17.498 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.195 2.193 -19.127 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.364 -0.803 -16.926 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.213 0.117 -17.761 1.00 0.00 H new ATOM 281 N ARG A 18 19.622 4.427 -16.443 1.00 0.00 N ATOM 282 CA ARG A 18 19.367 4.789 -15.043 1.00 0.00 C ATOM 283 C ARG A 18 18.664 6.146 -14.936 1.00 0.00 C ATOM 284 O ARG A 18 17.780 6.301 -14.095 1.00 0.00 O ATOM 285 CB ARG A 18 20.660 4.795 -14.202 1.00 0.00 C ATOM 286 CG ARG A 18 21.531 3.533 -14.343 1.00 0.00 C ATOM 287 CD ARG A 18 22.710 3.553 -13.356 1.00 0.00 C ATOM 288 NE ARG A 18 23.805 2.677 -13.813 1.00 0.00 N ATOM 289 CZ ARG A 18 24.910 2.362 -13.123 1.00 0.00 C ATOM 290 NH1 ARG A 18 25.067 2.677 -11.845 1.00 0.00 N ATOM 291 NH2 ARG A 18 25.908 1.709 -13.700 1.00 0.00 N ATOM 0 H ARG A 18 20.599 4.217 -16.648 1.00 0.00 H new ATOM 0 HA ARG A 18 18.707 4.021 -14.639 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.256 5.663 -14.484 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.393 4.919 -13.153 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.922 2.647 -14.167 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.909 3.462 -15.363 1.00 0.00 H new ATOM 0 HD2 ARG A 18 23.079 4.573 -13.247 1.00 0.00 H new ATOM 0 HD3 ARG A 18 22.369 3.230 -12.372 1.00 0.00 H new ATOM 0 HE ARG A 18 23.712 2.272 -14.744 1.00 0.00 H new ATOM 0 HH11 ARG A 18 24.330 3.179 -11.349 1.00 0.00 H new ATOM 0 HH12 ARG A 18 25.925 2.418 -11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.841 1.439 -14.681 1.00 0.00 H new ATOM 0 HH22 ARG A 18 26.743 1.476 -13.163 1.00 0.00 H new ATOM 305 N TYR A 19 19.011 7.116 -15.788 1.00 0.00 N ATOM 306 CA TYR A 19 18.376 8.430 -15.784 1.00 0.00 C ATOM 307 C TYR A 19 16.947 8.345 -16.323 1.00 0.00 C ATOM 308 O TYR A 19 16.054 8.975 -15.759 1.00 0.00 O ATOM 309 CB TYR A 19 19.205 9.432 -16.601 1.00 0.00 C ATOM 310 CG TYR A 19 20.577 9.721 -16.018 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.721 10.684 -15.001 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.712 9.027 -16.487 1.00 0.00 C ATOM 313 CE1 TYR A 19 21.988 10.957 -14.452 1.00 0.00 C ATOM 314 CE2 TYR A 19 22.980 9.290 -15.939 1.00 0.00 C ATOM 315 CZ TYR A 19 23.125 10.259 -14.921 1.00 0.00 C ATOM 316 OH TYR A 19 24.362 10.516 -14.410 1.00 0.00 O ATOM 0 H TYR A 19 19.738 7.009 -16.496 1.00 0.00 H new ATOM 0 HA TYR A 19 18.329 8.783 -14.754 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.326 9.047 -17.614 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.651 10.367 -16.679 1.00 0.00 H new ATOM 0 HD1 TYR A 19 19.854 11.217 -14.640 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.607 8.291 -17.270 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.092 11.699 -13.674 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.844 8.750 -16.297 1.00 0.00 H new ATOM 0 HH TYR A 19 25.023 9.942 -14.850 1.00 0.00 H new ATOM 326 N PHE A 20 16.699 7.544 -17.366 1.00 0.00 N ATOM 327 CA PHE A 20 15.353 7.335 -17.888 1.00 0.00 C ATOM 328 C PHE A 20 14.459 6.759 -16.788 1.00 0.00 C ATOM 329 O PHE A 20 13.396 7.309 -16.502 1.00 0.00 O ATOM 330 CB PHE A 20 15.391 6.423 -19.123 1.00 0.00 C ATOM 331 CG PHE A 20 14.046 6.221 -19.793 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.580 7.151 -20.742 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.259 5.096 -19.475 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.337 6.953 -21.372 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.024 4.893 -20.114 1.00 0.00 C ATOM 336 CZ PHE A 20 11.561 5.822 -21.062 1.00 0.00 C ATOM 0 H PHE A 20 17.423 7.028 -17.865 1.00 0.00 H new ATOM 0 HA PHE A 20 14.933 8.290 -18.203 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.086 6.844 -19.850 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.787 5.451 -18.830 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.177 8.017 -20.987 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.606 4.387 -18.738 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.979 7.671 -22.095 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.430 4.023 -19.877 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.611 5.667 -21.551 1.00 0.00 H new ATOM 346 N VAL A 21 14.925 5.704 -16.111 1.00 0.00 N ATOM 347 CA VAL A 21 14.225 5.103 -14.983 1.00 0.00 C ATOM 348 C VAL A 21 14.000 6.154 -13.888 1.00 0.00 C ATOM 349 O VAL A 21 12.900 6.225 -13.342 1.00 0.00 O ATOM 350 CB VAL A 21 15.016 3.881 -14.473 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.352 3.230 -13.258 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.130 2.789 -15.543 1.00 0.00 C ATOM 0 H VAL A 21 15.807 5.243 -16.337 1.00 0.00 H new ATOM 0 HA VAL A 21 13.243 4.749 -15.297 1.00 0.00 H new ATOM 0 HB VAL A 21 15.999 4.270 -14.209 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.945 2.374 -12.934 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.288 3.955 -12.446 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.350 2.897 -13.526 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.694 1.946 -15.144 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.133 2.455 -15.830 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.644 3.188 -16.417 1.00 0.00 H new ATOM 362 N GLN A 22 15.001 6.992 -13.584 1.00 0.00 N ATOM 363 CA GLN A 22 14.885 8.016 -12.553 1.00 0.00 C ATOM 364 C GLN A 22 13.710 8.946 -12.841 1.00 0.00 C ATOM 365 O GLN A 22 12.889 9.202 -11.960 1.00 0.00 O ATOM 366 CB GLN A 22 16.201 8.818 -12.449 1.00 0.00 C ATOM 367 CG GLN A 22 16.297 9.622 -11.142 1.00 0.00 C ATOM 368 CD GLN A 22 16.438 8.751 -9.896 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.198 9.200 -8.784 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.809 7.488 -10.051 1.00 0.00 N ATOM 0 H GLN A 22 15.909 6.974 -14.048 1.00 0.00 H new ATOM 0 HA GLN A 22 14.699 7.525 -11.598 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.046 8.133 -12.514 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.276 9.499 -13.297 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.151 10.296 -11.202 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.407 10.243 -11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.006 7.125 -10.984 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.897 6.879 -9.238 1.00 0.00 H new ATOM 379 N MET A 23 13.626 9.443 -14.072 1.00 0.00 N ATOM 380 CA MET A 23 12.620 10.420 -14.453 1.00 0.00 C ATOM 381 C MET A 23 11.240 9.763 -14.510 1.00 0.00 C ATOM 382 O MET A 23 10.259 10.364 -14.072 1.00 0.00 O ATOM 383 CB MET A 23 13.023 11.054 -15.791 1.00 0.00 C ATOM 384 CG MET A 23 14.336 11.842 -15.638 1.00 0.00 C ATOM 385 SD MET A 23 15.033 12.496 -17.183 1.00 0.00 S ATOM 386 CE MET A 23 13.778 13.732 -17.625 1.00 0.00 C ATOM 0 H MET A 23 14.255 9.178 -14.830 1.00 0.00 H new ATOM 0 HA MET A 23 12.559 11.213 -13.708 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.143 10.278 -16.547 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.232 11.718 -16.139 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.164 12.674 -14.955 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.077 11.194 -15.170 1.00 0.00 H new ATOM 0 HE1 MET A 23 14.089 14.260 -18.526 1.00 0.00 H new ATOM 0 HE2 MET A 23 12.825 13.234 -17.806 1.00 0.00 H new ATOM 0 HE3 MET A 23 13.665 14.444 -16.808 1.00 0.00 H new ATOM 396 N GLU A 24 11.155 8.517 -14.982 1.00 0.00 N ATOM 397 CA GLU A 24 9.895 7.784 -15.036 1.00 0.00 C ATOM 398 C GLU A 24 9.389 7.422 -13.633 1.00 0.00 C ATOM 399 O GLU A 24 8.177 7.380 -13.425 1.00 0.00 O ATOM 400 CB GLU A 24 10.040 6.541 -15.932 1.00 0.00 C ATOM 401 CG GLU A 24 10.195 6.888 -17.424 1.00 0.00 C ATOM 402 CD GLU A 24 8.950 7.587 -17.988 1.00 0.00 C ATOM 403 OE1 GLU A 24 7.993 6.903 -18.414 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.878 8.837 -17.954 1.00 0.00 O ATOM 0 H GLU A 24 11.956 7.993 -15.335 1.00 0.00 H new ATOM 0 HA GLU A 24 9.140 8.434 -15.479 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.906 5.965 -15.607 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.166 5.903 -15.802 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.064 7.533 -17.557 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.385 5.976 -17.990 1.00 0.00 H new ATOM 411 N ALA A 25 10.279 7.211 -12.658 1.00 0.00 N ATOM 412 CA ALA A 25 9.889 7.019 -11.266 1.00 0.00 C ATOM 413 C ALA A 25 9.418 8.342 -10.665 1.00 0.00 C ATOM 414 O ALA A 25 8.395 8.382 -9.980 1.00 0.00 O ATOM 415 CB ALA A 25 11.074 6.491 -10.455 1.00 0.00 C ATOM 0 H ALA A 25 11.286 7.169 -12.815 1.00 0.00 H new ATOM 0 HA ALA A 25 9.075 6.295 -11.232 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.771 6.351 -9.417 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.402 5.537 -10.869 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.894 7.208 -10.500 1.00 0.00 H new ATOM 421 N ASP A 26 10.159 9.425 -10.920 1.00 0.00 N ATOM 422 CA ASP A 26 9.889 10.744 -10.357 1.00 0.00 C ATOM 423 C ASP A 26 8.549 11.292 -10.834 1.00 0.00 C ATOM 424 O ASP A 26 7.776 11.795 -10.020 1.00 0.00 O ATOM 425 CB ASP A 26 11.006 11.729 -10.713 1.00 0.00 C ATOM 426 CG ASP A 26 10.655 13.140 -10.217 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.586 13.353 -8.985 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.452 14.046 -11.055 1.00 0.00 O ATOM 0 H ASP A 26 10.974 9.406 -11.533 1.00 0.00 H new ATOM 0 HA ASP A 26 9.848 10.629 -9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.944 11.402 -10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.156 11.743 -11.792 1.00 0.00 H new ATOM 433 N LYS A 27 8.205 11.138 -12.118 1.00 0.00 N ATOM 434 CA LYS A 27 6.906 11.590 -12.620 1.00 0.00 C ATOM 435 C LYS A 27 5.734 10.778 -12.051 1.00 0.00 C ATOM 436 O LYS A 27 4.591 11.220 -12.160 1.00 0.00 O ATOM 437 CB LYS A 27 6.917 11.709 -14.157 1.00 0.00 C ATOM 438 CG LYS A 27 6.966 10.390 -14.948 1.00 0.00 C ATOM 439 CD LYS A 27 5.575 9.861 -15.336 1.00 0.00 C ATOM 440 CE LYS A 27 5.660 8.572 -16.168 1.00 0.00 C ATOM 441 NZ LYS A 27 6.144 8.813 -17.549 1.00 0.00 N ATOM 0 H LYS A 27 8.804 10.707 -12.822 1.00 0.00 H new ATOM 0 HA LYS A 27 6.732 12.598 -12.244 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.026 12.257 -14.463 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.778 12.312 -14.446 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.556 10.539 -15.853 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.481 9.636 -14.352 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.994 9.672 -14.433 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.042 10.624 -15.903 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.327 7.867 -15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.676 8.105 -16.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.215 7.907 -18.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.477 9.437 -18.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.080 9.264 -17.515 1.00 0.00 H new ATOM 455 N ARG A 28 5.992 9.623 -11.418 1.00 0.00 N ATOM 456 CA ARG A 28 4.997 8.854 -10.659 1.00 0.00 C ATOM 457 C ARG A 28 5.187 9.016 -9.143 1.00 0.00 C ATOM 458 O ARG A 28 4.436 8.409 -8.380 1.00 0.00 O ATOM 459 CB ARG A 28 5.074 7.364 -11.056 1.00 0.00 C ATOM 460 CG ARG A 28 4.765 7.039 -12.527 1.00 0.00 C ATOM 461 CD ARG A 28 3.433 7.585 -13.064 1.00 0.00 C ATOM 462 NE ARG A 28 2.256 7.091 -12.316 1.00 0.00 N ATOM 463 CZ ARG A 28 1.213 6.412 -12.819 1.00 0.00 C ATOM 464 NH1 ARG A 28 1.160 6.091 -14.109 1.00 0.00 N ATOM 465 NH2 ARG A 28 0.219 6.041 -12.018 1.00 0.00 N ATOM 0 H ARG A 28 6.916 9.190 -11.420 1.00 0.00 H new ATOM 0 HA ARG A 28 4.010 9.244 -10.906 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.075 6.999 -10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.380 6.805 -10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.573 7.432 -13.144 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.768 5.956 -12.649 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.451 8.674 -13.022 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.331 7.308 -14.113 1.00 0.00 H new ATOM 0 HE ARG A 28 2.235 7.286 -11.315 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.920 6.361 -14.733 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.359 5.575 -14.474 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.251 6.272 -11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.575 5.525 -12.396 1.00 0.00 H new ATOM 479 N LYS A 29 6.167 9.814 -8.695 1.00 0.00 N ATOM 480 CA LYS A 29 6.628 9.933 -7.308 1.00 0.00 C ATOM 481 C LYS A 29 6.726 8.571 -6.605 1.00 0.00 C ATOM 482 O LYS A 29 6.321 8.427 -5.449 1.00 0.00 O ATOM 483 CB LYS A 29 5.803 10.994 -6.547 1.00 0.00 C ATOM 484 CG LYS A 29 5.889 12.409 -7.152 1.00 0.00 C ATOM 485 CD LYS A 29 7.287 13.039 -7.028 1.00 0.00 C ATOM 486 CE LYS A 29 7.338 14.371 -7.785 1.00 0.00 C ATOM 487 NZ LYS A 29 8.691 14.976 -7.749 1.00 0.00 N ATOM 0 H LYS A 29 6.686 10.425 -9.326 1.00 0.00 H new ATOM 0 HA LYS A 29 7.654 10.300 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.759 10.682 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.144 11.031 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.610 12.364 -8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.162 13.053 -6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.529 13.200 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.038 12.357 -7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.039 14.211 -8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.619 15.064 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.651 15.940 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.029 15.012 -6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.344 14.401 -8.319 1.00 0.00 H new ATOM 501 N LEU A 30 7.260 7.566 -7.309 1.00 0.00 N ATOM 502 CA LEU A 30 7.679 6.310 -6.687 1.00 0.00 C ATOM 503 C LEU A 30 8.912 6.573 -5.816 1.00 0.00 C ATOM 504 O LEU A 30 9.557 7.616 -5.949 1.00 0.00 O ATOM 505 CB LEU A 30 7.965 5.254 -7.770 1.00 0.00 C ATOM 506 CG LEU A 30 6.695 4.754 -8.487 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.083 3.859 -9.661 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.769 3.952 -7.568 1.00 0.00 C ATOM 0 H LEU A 30 7.412 7.602 -8.317 1.00 0.00 H new ATOM 0 HA LEU A 30 6.882 5.920 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.647 5.676 -8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.474 4.405 -7.314 1.00 0.00 H new ATOM 0 HG LEU A 30 6.160 5.643 -8.822 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.182 3.508 -10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.694 4.425 -10.364 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.650 3.003 -9.294 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.893 3.627 -8.129 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.300 3.080 -7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.454 4.578 -6.733 1.00 0.00 H new ATOM 520 N ALA A 31 9.266 5.625 -4.940 1.00 0.00 N ATOM 521 CA ALA A 31 10.409 5.749 -4.039 1.00 0.00 C ATOM 522 C ALA A 31 11.186 4.434 -4.014 1.00 0.00 C ATOM 523 O ALA A 31 10.577 3.366 -4.089 1.00 0.00 O ATOM 524 CB ALA A 31 9.926 6.135 -2.640 1.00 0.00 C ATOM 0 H ALA A 31 8.761 4.745 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 31 11.076 6.534 -4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.782 6.226 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.399 7.088 -2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.252 5.366 -2.263 1.00 0.00 H new ATOM 530 N GLY A 32 12.519 4.515 -3.957 1.00 0.00 N ATOM 531 CA GLY A 32 13.389 3.376 -4.246 1.00 0.00 C ATOM 532 C GLY A 32 14.688 3.797 -4.943 1.00 0.00 C ATOM 533 O GLY A 32 15.126 4.939 -4.784 1.00 0.00 O ATOM 0 H GLY A 32 13.021 5.368 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.629 2.860 -3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.855 2.665 -4.876 1.00 0.00 H new ATOM 537 N TRP A 33 15.308 2.894 -5.712 1.00 0.00 N ATOM 538 CA TRP A 33 16.586 3.139 -6.377 1.00 0.00 C ATOM 539 C TRP A 33 16.644 2.556 -7.790 1.00 0.00 C ATOM 540 O TRP A 33 15.880 1.651 -8.137 1.00 0.00 O ATOM 541 CB TRP A 33 17.753 2.593 -5.529 1.00 0.00 C ATOM 542 CG TRP A 33 17.855 1.108 -5.266 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.016 0.123 -6.186 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.926 0.432 -3.969 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.182 -1.097 -5.554 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.172 -0.957 -4.189 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.839 0.856 -2.625 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.350 -1.868 -3.139 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.999 -0.053 -1.561 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.261 -1.412 -1.814 1.00 0.00 C ATOM 0 H TRP A 33 14.929 1.964 -5.890 1.00 0.00 H new ATOM 0 HA TRP A 33 16.682 4.220 -6.474 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.680 2.903 -6.012 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.715 3.094 -4.561 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.015 0.270 -7.256 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.297 -1.986 -6.040 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.646 1.896 -2.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.553 -2.908 -3.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.920 0.296 -0.542 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.393 -2.101 -0.993 1.00 0.00 H new ATOM 561 N VAL A 34 17.644 2.994 -8.560 1.00 0.00 N ATOM 562 CA VAL A 34 18.134 2.296 -9.745 1.00 0.00 C ATOM 563 C VAL A 34 19.664 2.342 -9.718 1.00 0.00 C ATOM 564 O VAL A 34 20.249 3.362 -9.343 1.00 0.00 O ATOM 565 CB VAL A 34 17.497 2.870 -11.029 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.652 4.391 -11.171 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.045 2.192 -12.293 1.00 0.00 C ATOM 0 H VAL A 34 18.144 3.863 -8.370 1.00 0.00 H new ATOM 0 HA VAL A 34 17.835 1.248 -9.742 1.00 0.00 H new ATOM 0 HB VAL A 34 16.434 2.653 -10.926 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.180 4.720 -12.097 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.176 4.886 -10.325 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.711 4.648 -11.193 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.570 2.626 -13.173 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.123 2.345 -12.350 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.831 1.124 -12.255 1.00 0.00 H new ATOM 577 N LYS A 35 20.321 1.233 -10.070 1.00 0.00 N ATOM 578 CA LYS A 35 21.766 1.064 -9.931 1.00 0.00 C ATOM 579 C LYS A 35 22.286 -0.064 -10.827 1.00 0.00 C ATOM 580 O LYS A 35 21.501 -0.764 -11.461 1.00 0.00 O ATOM 581 CB LYS A 35 22.095 0.784 -8.453 1.00 0.00 C ATOM 582 CG LYS A 35 21.449 -0.489 -7.884 1.00 0.00 C ATOM 583 CD LYS A 35 22.015 -0.813 -6.491 1.00 0.00 C ATOM 584 CE LYS A 35 21.633 -2.234 -6.066 1.00 0.00 C ATOM 585 NZ LYS A 35 22.369 -3.278 -6.826 1.00 0.00 N ATOM 0 H LYS A 35 19.855 0.416 -10.465 1.00 0.00 H new ATOM 0 HA LYS A 35 22.263 1.980 -10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.177 0.707 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.774 1.637 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.369 -0.357 -7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.629 -1.326 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.100 -0.711 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.635 -0.096 -5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.833 -2.357 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.561 -2.375 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.693 -3.969 -7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.892 -2.834 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.037 -3.762 -6.193 1.00 0.00 H new ATOM 599 N ASN A 36 23.606 -0.270 -10.849 1.00 0.00 N ATOM 600 CA ASN A 36 24.224 -1.480 -11.403 1.00 0.00 C ATOM 601 C ASN A 36 23.919 -2.689 -10.510 1.00 0.00 C ATOM 602 O ASN A 36 23.658 -2.537 -9.313 1.00 0.00 O ATOM 603 CB ASN A 36 25.748 -1.280 -11.494 1.00 0.00 C ATOM 604 CG ASN A 36 26.471 -2.476 -12.110 1.00 0.00 C ATOM 605 OD1 ASN A 36 26.252 -2.811 -13.268 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.328 -3.151 -11.363 1.00 0.00 N ATOM 0 H ASN A 36 24.280 0.401 -10.481 1.00 0.00 H new ATOM 0 HA ASN A 36 23.816 -1.663 -12.397 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.957 -0.390 -12.088 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.145 -1.097 -10.496 1.00 0.00 H new ATOM 0 HD21 ASN A 36 27.815 -3.960 -11.750 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.502 -2.863 -10.400 1.00 0.00 H new ATOM 668 N ARG A 41 24.353 -5.933 -14.903 1.00 0.00 N ATOM 669 CA ARG A 41 22.982 -5.586 -15.302 1.00 0.00 C ATOM 670 C ARG A 41 22.572 -4.286 -14.623 1.00 0.00 C ATOM 671 O ARG A 41 23.294 -3.785 -13.762 1.00 0.00 O ATOM 672 CB ARG A 41 21.992 -6.716 -14.936 1.00 0.00 C ATOM 673 CG ARG A 41 22.445 -8.157 -15.211 1.00 0.00 C ATOM 674 CD ARG A 41 22.853 -8.445 -16.661 1.00 0.00 C ATOM 675 NE ARG A 41 23.802 -9.562 -16.727 1.00 0.00 N ATOM 676 CZ ARG A 41 24.638 -9.852 -17.727 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.607 -9.193 -18.882 1.00 0.00 N ATOM 678 NH2 ARG A 41 25.506 -10.833 -17.528 1.00 0.00 N ATOM 0 HA ARG A 41 22.955 -5.458 -16.384 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.759 -6.631 -13.875 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.064 -6.543 -15.481 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.289 -8.387 -14.560 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.636 -8.834 -14.936 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.968 -8.680 -17.252 1.00 0.00 H new ATOM 0 HD3 ARG A 41 23.303 -7.554 -17.100 1.00 0.00 H new ATOM 0 HE ARG A 41 23.826 -10.186 -15.920 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.931 -8.442 -19.023 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.259 -9.438 -19.627 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.516 -11.332 -16.639 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.164 -11.089 -18.264 1.00 0.00 H new ATOM 692 N VAL A 42 21.408 -3.745 -14.971 1.00 0.00 N ATOM 693 CA VAL A 42 20.788 -2.676 -14.197 1.00 0.00 C ATOM 694 C VAL A 42 19.792 -3.357 -13.261 1.00 0.00 C ATOM 695 O VAL A 42 19.176 -4.360 -13.621 1.00 0.00 O ATOM 696 CB VAL A 42 20.146 -1.628 -15.133 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.481 -0.482 -14.353 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.213 -1.002 -16.047 1.00 0.00 C ATOM 0 H VAL A 42 20.873 -4.033 -15.790 1.00 0.00 H new ATOM 0 HA VAL A 42 21.511 -2.112 -13.608 1.00 0.00 H new ATOM 0 HB VAL A 42 19.390 -2.157 -15.713 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.044 0.229 -15.054 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.699 -0.885 -13.710 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.228 0.024 -13.742 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.746 -0.266 -16.701 1.00 0.00 H new ATOM 0 HG22 VAL A 42 21.974 -0.515 -15.437 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.677 -1.781 -16.652 1.00 0.00 H new ATOM 708 N GLU A 43 19.616 -2.798 -12.070 1.00 0.00 N ATOM 709 CA GLU A 43 18.653 -3.220 -11.073 1.00 0.00 C ATOM 710 C GLU A 43 17.866 -1.980 -10.678 1.00 0.00 C ATOM 711 O GLU A 43 18.434 -0.899 -10.508 1.00 0.00 O ATOM 712 CB GLU A 43 19.394 -3.813 -9.869 1.00 0.00 C ATOM 713 CG GLU A 43 18.485 -4.092 -8.662 1.00 0.00 C ATOM 714 CD GLU A 43 19.285 -4.356 -7.394 1.00 0.00 C ATOM 715 OE1 GLU A 43 20.324 -5.053 -7.430 1.00 0.00 O ATOM 716 OE2 GLU A 43 18.868 -3.842 -6.332 1.00 0.00 O ATOM 0 H GLU A 43 20.171 -1.999 -11.763 1.00 0.00 H new ATOM 0 HA GLU A 43 17.980 -3.988 -11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.877 -4.742 -10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.185 -3.127 -9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.823 -3.241 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.851 -4.953 -8.877 1.00 0.00 H new ATOM 723 N ILE A 44 16.563 -2.156 -10.503 1.00 0.00 N ATOM 724 CA ILE A 44 15.603 -1.143 -10.125 1.00 0.00 C ATOM 725 C ILE A 44 14.837 -1.754 -8.949 1.00 0.00 C ATOM 726 O ILE A 44 14.554 -2.955 -8.953 1.00 0.00 O ATOM 727 CB ILE A 44 14.679 -0.864 -11.332 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.457 -0.590 -12.645 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.727 0.307 -11.028 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.605 -0.891 -13.869 1.00 0.00 C ATOM 0 H ILE A 44 16.127 -3.069 -10.631 1.00 0.00 H new ATOM 0 HA ILE A 44 16.053 -0.191 -9.841 1.00 0.00 H new ATOM 0 HB ILE A 44 14.100 -1.774 -11.490 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.776 0.452 -12.670 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.359 -1.201 -12.669 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.085 0.487 -11.890 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.112 0.060 -10.163 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.309 1.204 -10.815 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.181 -0.688 -14.772 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.307 -1.940 -13.856 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.715 -0.261 -13.857 1.00 0.00 H new ATOM 742 N LEU A 45 14.487 -0.955 -7.949 1.00 0.00 N ATOM 743 CA LEU A 45 13.713 -1.397 -6.794 1.00 0.00 C ATOM 744 C LEU A 45 12.811 -0.229 -6.436 1.00 0.00 C ATOM 745 O LEU A 45 13.309 0.892 -6.335 1.00 0.00 O ATOM 746 CB LEU A 45 14.683 -1.772 -5.657 1.00 0.00 C ATOM 747 CG LEU A 45 14.068 -2.623 -4.528 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.184 -3.087 -3.587 1.00 0.00 C ATOM 749 CD2 LEU A 45 13.016 -1.886 -3.695 1.00 0.00 C ATOM 0 H LEU A 45 14.736 0.034 -7.916 1.00 0.00 H new ATOM 0 HA LEU A 45 13.108 -2.283 -6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.526 -2.316 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.082 -0.855 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 45 13.565 -3.458 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.757 -3.690 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.906 -3.684 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.685 -2.218 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.632 -2.552 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.469 -1.012 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.197 -1.569 -4.341 1.00 0.00 H new ATOM 761 N ALA A 46 11.508 -0.462 -6.276 1.00 0.00 N ATOM 762 CA ALA A 46 10.553 0.585 -5.945 1.00 0.00 C ATOM 763 C ALA A 46 9.480 0.035 -5.014 1.00 0.00 C ATOM 764 O ALA A 46 9.029 -1.099 -5.193 1.00 0.00 O ATOM 765 CB ALA A 46 9.900 1.115 -7.228 1.00 0.00 C ATOM 0 H ALA A 46 11.088 -1.386 -6.374 1.00 0.00 H new ATOM 0 HA ALA A 46 11.077 1.399 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.186 1.899 -6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.668 1.522 -7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.382 0.301 -7.735 1.00 0.00 H new ATOM 771 N GLU A 47 9.028 0.865 -4.075 1.00 0.00 N ATOM 772 CA GLU A 47 7.723 0.727 -3.438 1.00 0.00 C ATOM 773 C GLU A 47 6.751 1.710 -4.105 1.00 0.00 C ATOM 774 O GLU A 47 7.172 2.747 -4.630 1.00 0.00 O ATOM 775 CB GLU A 47 7.810 0.965 -1.917 1.00 0.00 C ATOM 776 CG GLU A 47 8.374 2.337 -1.502 1.00 0.00 C ATOM 777 CD GLU A 47 8.059 2.663 -0.032 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.649 2.024 0.867 1.00 0.00 O ATOM 779 OE2 GLU A 47 7.220 3.560 0.219 1.00 0.00 O ATOM 0 H GLU A 47 9.566 1.661 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 47 7.359 -0.292 -3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.813 0.855 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.433 0.186 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.453 2.347 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.955 3.112 -2.144 1.00 0.00 H new ATOM 786 N GLY A 48 5.451 1.406 -4.073 1.00 0.00 N ATOM 787 CA GLY A 48 4.417 2.280 -4.614 1.00 0.00 C ATOM 788 C GLY A 48 3.032 1.637 -4.596 1.00 0.00 C ATOM 789 O GLY A 48 2.897 0.480 -4.184 1.00 0.00 O ATOM 0 H GLY A 48 5.089 0.542 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.391 3.205 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.674 2.550 -5.638 1.00 0.00 H new ATOM 793 N PRO A 49 1.989 2.364 -5.028 1.00 0.00 N ATOM 794 CA PRO A 49 0.686 1.783 -5.313 1.00 0.00 C ATOM 795 C PRO A 49 0.758 0.962 -6.608 1.00 0.00 C ATOM 796 O PRO A 49 1.576 1.237 -7.490 1.00 0.00 O ATOM 797 CB PRO A 49 -0.269 2.974 -5.427 1.00 0.00 C ATOM 798 CG PRO A 49 0.625 4.103 -5.939 1.00 0.00 C ATOM 799 CD PRO A 49 1.997 3.789 -5.336 1.00 0.00 C ATOM 0 HA PRO A 49 0.345 1.095 -4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.088 2.767 -6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.717 3.222 -4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.662 4.121 -7.028 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.261 5.078 -5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.795 4.031 -6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.172 4.381 -4.437 1.00 0.00 H new ATOM 807 N GLU A 50 -0.120 -0.037 -6.735 1.00 0.00 N ATOM 808 CA GLU A 50 -0.061 -1.026 -7.808 1.00 0.00 C ATOM 809 C GLU A 50 -0.146 -0.371 -9.190 1.00 0.00 C ATOM 810 O GLU A 50 0.623 -0.729 -10.076 1.00 0.00 O ATOM 811 CB GLU A 50 -1.180 -2.063 -7.598 1.00 0.00 C ATOM 812 CG GLU A 50 -1.116 -3.220 -8.606 1.00 0.00 C ATOM 813 CD GLU A 50 -2.234 -4.247 -8.357 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.378 -4.034 -8.818 1.00 0.00 O ATOM 815 OE2 GLU A 50 -1.980 -5.292 -7.715 1.00 0.00 O ATOM 0 H GLU A 50 -0.897 -0.181 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 50 0.904 -1.532 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.112 -2.464 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.148 -1.568 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.201 -2.827 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.146 -3.712 -8.535 1.00 0.00 H new ATOM 822 N ASN A 51 -1.036 0.610 -9.381 1.00 0.00 N ATOM 823 CA ASN A 51 -1.223 1.240 -10.693 1.00 0.00 C ATOM 824 C ASN A 51 0.038 1.982 -11.144 1.00 0.00 C ATOM 825 O ASN A 51 0.437 1.883 -12.308 1.00 0.00 O ATOM 826 CB ASN A 51 -2.416 2.207 -10.653 1.00 0.00 C ATOM 827 CG ASN A 51 -2.636 2.884 -12.007 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.691 2.229 -13.043 1.00 0.00 O ATOM 829 ND2 ASN A 51 -2.781 4.200 -12.032 1.00 0.00 N ATOM 0 H ASN A 51 -1.636 0.984 -8.646 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.425 0.449 -11.416 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.316 1.664 -10.366 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.245 2.966 -9.889 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.940 4.679 -12.918 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.734 4.735 -11.165 1.00 0.00 H new ATOM 836 N ALA A 52 0.685 2.707 -10.225 1.00 0.00 N ATOM 837 CA ALA A 52 1.927 3.408 -10.524 1.00 0.00 C ATOM 838 C ALA A 52 3.036 2.406 -10.819 1.00 0.00 C ATOM 839 O ALA A 52 3.774 2.588 -11.784 1.00 0.00 O ATOM 840 CB ALA A 52 2.322 4.321 -9.361 1.00 0.00 C ATOM 0 H ALA A 52 0.362 2.821 -9.264 1.00 0.00 H new ATOM 0 HA ALA A 52 1.774 4.029 -11.407 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.252 4.836 -9.602 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.534 5.055 -9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.462 3.723 -8.460 1.00 0.00 H new ATOM 846 N LEU A 53 3.135 1.339 -10.022 1.00 0.00 N ATOM 847 CA LEU A 53 4.135 0.300 -10.210 1.00 0.00 C ATOM 848 C LEU A 53 3.952 -0.379 -11.569 1.00 0.00 C ATOM 849 O LEU A 53 4.927 -0.524 -12.301 1.00 0.00 O ATOM 850 CB LEU A 53 4.056 -0.707 -9.048 1.00 0.00 C ATOM 851 CG LEU A 53 4.683 -0.218 -7.725 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.390 -1.245 -6.626 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.203 -0.014 -7.808 1.00 0.00 C ATOM 0 H LEU A 53 2.518 1.176 -9.226 1.00 0.00 H new ATOM 0 HA LEU A 53 5.130 0.744 -10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.009 -0.953 -8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.552 -1.629 -9.350 1.00 0.00 H new ATOM 0 HG LEU A 53 4.237 0.752 -7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.829 -0.908 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.312 -1.351 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.820 -2.207 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.577 0.330 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.683 -0.957 -8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.429 0.730 -8.571 1.00 0.00 H new ATOM 865 N GLN A 54 2.732 -0.761 -11.956 1.00 0.00 N ATOM 866 CA GLN A 54 2.481 -1.395 -13.249 1.00 0.00 C ATOM 867 C GLN A 54 2.823 -0.445 -14.401 1.00 0.00 C ATOM 868 O GLN A 54 3.515 -0.846 -15.340 1.00 0.00 O ATOM 869 CB GLN A 54 1.018 -1.866 -13.337 1.00 0.00 C ATOM 870 CG GLN A 54 0.723 -3.092 -12.455 1.00 0.00 C ATOM 871 CD GLN A 54 1.526 -4.328 -12.869 1.00 0.00 C ATOM 872 OE1 GLN A 54 1.427 -4.811 -13.994 1.00 0.00 O ATOM 873 NE2 GLN A 54 2.349 -4.863 -11.981 1.00 0.00 N ATOM 0 H GLN A 54 1.896 -0.640 -11.384 1.00 0.00 H new ATOM 0 HA GLN A 54 3.129 -2.267 -13.337 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.361 -1.048 -13.042 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.782 -2.107 -14.374 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.948 -2.849 -11.416 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.341 -3.322 -12.505 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.427 -4.457 -11.048 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.905 -5.681 -12.229 1.00 0.00 H new ATOM 882 N SER A 55 2.411 0.824 -14.307 1.00 0.00 N ATOM 883 CA SER A 55 2.768 1.833 -15.301 1.00 0.00 C ATOM 884 C SER A 55 4.294 1.964 -15.412 1.00 0.00 C ATOM 885 O SER A 55 4.847 2.087 -16.507 1.00 0.00 O ATOM 886 CB SER A 55 2.148 3.182 -14.920 1.00 0.00 C ATOM 887 OG SER A 55 0.743 3.099 -14.731 1.00 0.00 O ATOM 0 H SER A 55 1.827 1.174 -13.547 1.00 0.00 H new ATOM 0 HA SER A 55 2.378 1.522 -16.270 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.614 3.547 -14.005 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.364 3.911 -15.701 1.00 0.00 H new ATOM 0 HG SER A 55 0.553 2.785 -13.822 1.00 0.00 H new ATOM 893 N PHE A 56 4.989 1.899 -14.276 1.00 0.00 N ATOM 894 CA PHE A 56 6.431 1.975 -14.225 1.00 0.00 C ATOM 895 C PHE A 56 7.075 0.717 -14.821 1.00 0.00 C ATOM 896 O PHE A 56 8.101 0.873 -15.473 1.00 0.00 O ATOM 897 CB PHE A 56 6.863 2.304 -12.791 1.00 0.00 C ATOM 898 CG PHE A 56 8.340 2.574 -12.573 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.007 3.553 -13.335 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.028 1.918 -11.531 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.358 3.842 -13.076 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.372 2.217 -11.263 1.00 0.00 C ATOM 903 CZ PHE A 56 11.035 3.180 -12.036 1.00 0.00 C ATOM 0 H PHE A 56 4.552 1.791 -13.361 1.00 0.00 H new ATOM 0 HA PHE A 56 6.796 2.786 -14.855 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.304 3.179 -12.459 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.569 1.475 -12.148 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.481 4.081 -14.117 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.515 1.179 -10.934 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.877 4.574 -13.677 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.893 1.708 -10.466 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.069 3.415 -11.832 1.00 0.00 H new ATOM 913 N VAL A 57 6.478 -0.488 -14.738 1.00 0.00 N ATOM 914 CA VAL A 57 6.970 -1.622 -15.532 1.00 0.00 C ATOM 915 C VAL A 57 6.830 -1.280 -17.009 1.00 0.00 C ATOM 916 O VAL A 57 7.789 -1.473 -17.753 1.00 0.00 O ATOM 917 CB VAL A 57 6.263 -2.971 -15.259 1.00 0.00 C ATOM 918 CG1 VAL A 57 6.951 -4.109 -16.044 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.278 -3.351 -13.779 1.00 0.00 C ATOM 0 H VAL A 57 5.675 -0.695 -14.144 1.00 0.00 H new ATOM 0 HA VAL A 57 8.008 -1.768 -15.234 1.00 0.00 H new ATOM 0 HB VAL A 57 5.229 -2.842 -15.580 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.441 -5.051 -15.841 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.905 -3.894 -17.112 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.993 -4.186 -15.734 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.769 -4.305 -13.643 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.309 -3.438 -13.436 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.767 -2.582 -13.201 1.00 0.00 H new ATOM 929 N GLU A 58 5.672 -0.770 -17.445 1.00 0.00 N ATOM 930 CA GLU A 58 5.443 -0.497 -18.861 1.00 0.00 C ATOM 931 C GLU A 58 6.480 0.497 -19.399 1.00 0.00 C ATOM 932 O GLU A 58 6.935 0.335 -20.535 1.00 0.00 O ATOM 933 CB GLU A 58 4.006 -0.017 -19.118 1.00 0.00 C ATOM 934 CG GLU A 58 2.988 -1.151 -18.940 1.00 0.00 C ATOM 935 CD GLU A 58 1.560 -0.686 -19.276 1.00 0.00 C ATOM 936 OE1 GLU A 58 1.138 -0.805 -20.450 1.00 0.00 O ATOM 937 OE2 GLU A 58 0.834 -0.214 -18.372 1.00 0.00 O ATOM 0 H GLU A 58 4.885 -0.540 -16.838 1.00 0.00 H new ATOM 0 HA GLU A 58 5.567 -1.432 -19.407 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.767 0.797 -18.434 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.932 0.383 -20.129 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.259 -1.989 -19.582 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.021 -1.513 -17.912 1.00 0.00 H new ATOM 944 N ALA A 59 6.903 1.464 -18.578 1.00 0.00 N ATOM 945 CA ALA A 59 8.020 2.340 -18.888 1.00 0.00 C ATOM 946 C ALA A 59 9.356 1.577 -18.904 1.00 0.00 C ATOM 947 O ALA A 59 10.066 1.597 -19.907 1.00 0.00 O ATOM 948 CB ALA A 59 8.064 3.494 -17.881 1.00 0.00 C ATOM 0 H ALA A 59 6.471 1.656 -17.674 1.00 0.00 H new ATOM 0 HA ALA A 59 7.871 2.743 -19.890 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.903 4.150 -18.115 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.134 4.060 -17.936 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.187 3.094 -16.874 1.00 0.00 H new ATOM 954 N VAL A 60 9.706 0.902 -17.806 1.00 0.00 N ATOM 955 CA VAL A 60 10.999 0.250 -17.597 1.00 0.00 C ATOM 956 C VAL A 60 11.279 -0.778 -18.695 1.00 0.00 C ATOM 957 O VAL A 60 12.370 -0.788 -19.264 1.00 0.00 O ATOM 958 CB VAL A 60 11.007 -0.370 -16.177 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.045 -1.481 -15.967 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.253 0.728 -15.129 1.00 0.00 C ATOM 0 H VAL A 60 9.075 0.791 -17.012 1.00 0.00 H new ATOM 0 HA VAL A 60 11.808 0.978 -17.662 1.00 0.00 H new ATOM 0 HB VAL A 60 10.026 -0.831 -16.061 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.977 -1.854 -14.945 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.852 -2.296 -16.665 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.045 -1.083 -16.142 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.257 0.286 -14.133 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.215 1.204 -15.319 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.461 1.474 -15.191 1.00 0.00 H new ATOM 970 N LYS A 61 10.307 -1.629 -19.025 1.00 0.00 N ATOM 971 CA LYS A 61 10.490 -2.725 -19.973 1.00 0.00 C ATOM 972 C LYS A 61 10.794 -2.238 -21.394 1.00 0.00 C ATOM 973 O LYS A 61 11.301 -3.019 -22.198 1.00 0.00 O ATOM 974 CB LYS A 61 9.285 -3.679 -19.893 1.00 0.00 C ATOM 975 CG LYS A 61 7.960 -3.070 -20.389 1.00 0.00 C ATOM 976 CD LYS A 61 7.573 -3.589 -21.775 1.00 0.00 C ATOM 977 CE LYS A 61 6.317 -2.899 -22.336 1.00 0.00 C ATOM 978 NZ LYS A 61 6.541 -1.478 -22.719 1.00 0.00 N ATOM 0 H LYS A 61 9.365 -1.576 -18.639 1.00 0.00 H new ATOM 0 HA LYS A 61 11.380 -3.287 -19.689 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.503 -4.571 -20.480 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.159 -4.000 -18.859 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.166 -3.304 -19.680 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.050 -1.984 -20.421 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.405 -3.435 -22.462 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.399 -4.664 -21.721 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.968 -3.451 -23.208 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.523 -2.945 -21.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.707 -1.120 -23.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.697 -0.908 -21.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.376 -1.412 -23.335 1.00 0.00 H new ATOM 992 N ASN A 62 10.505 -0.969 -21.720 1.00 0.00 N ATOM 993 CA ASN A 62 10.905 -0.378 -22.998 1.00 0.00 C ATOM 994 C ASN A 62 12.428 -0.212 -23.095 1.00 0.00 C ATOM 995 O ASN A 62 12.972 -0.205 -24.200 1.00 0.00 O ATOM 996 CB ASN A 62 10.242 0.999 -23.176 1.00 0.00 C ATOM 997 CG ASN A 62 10.549 1.599 -24.546 1.00 0.00 C ATOM 998 OD1 ASN A 62 9.981 1.191 -25.555 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.431 2.581 -24.609 1.00 0.00 N ATOM 0 H ASN A 62 9.993 -0.332 -21.110 1.00 0.00 H new ATOM 0 HA ASN A 62 10.578 -1.058 -23.785 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.163 0.902 -23.054 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.591 1.675 -22.396 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.650 3.013 -25.507 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.893 2.907 -23.760 1.00 0.00 H new ATOM 1006 N GLY A 63 13.118 -0.050 -21.961 1.00 0.00 N ATOM 1007 CA GLY A 63 14.406 0.627 -21.928 1.00 0.00 C ATOM 1008 C GLY A 63 14.200 2.127 -22.175 1.00 0.00 C ATOM 1009 O GLY A 63 13.062 2.596 -22.291 1.00 0.00 O ATOM 0 H GLY A 63 12.798 -0.383 -21.052 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.888 0.469 -20.963 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.068 0.210 -22.687 1.00 0.00 H new ATOM 1013 N SER A 64 15.278 2.897 -22.299 1.00 0.00 N ATOM 1014 CA SER A 64 15.187 4.182 -22.982 1.00 0.00 C ATOM 1015 C SER A 64 14.809 3.915 -24.450 1.00 0.00 C ATOM 1016 O SER A 64 15.092 2.832 -24.967 1.00 0.00 O ATOM 1017 CB SER A 64 16.535 4.911 -22.921 1.00 0.00 C ATOM 1018 OG SER A 64 17.031 4.991 -21.598 1.00 0.00 O ATOM 0 H SER A 64 16.204 2.660 -21.944 1.00 0.00 H new ATOM 0 HA SER A 64 14.435 4.808 -22.501 1.00 0.00 H new ATOM 0 HB2 SER A 64 17.258 4.391 -23.549 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.423 5.916 -23.329 1.00 0.00 H new ATOM 0 HG SER A 64 17.891 5.460 -21.599 1.00 0.00 H new ATOM 1024 N PRO A 65 14.245 4.890 -25.180 1.00 0.00 N ATOM 1025 CA PRO A 65 14.128 4.836 -26.636 1.00 0.00 C ATOM 1026 C PRO A 65 15.421 4.414 -27.358 1.00 0.00 C ATOM 1027 O PRO A 65 15.358 3.737 -28.386 1.00 0.00 O ATOM 1028 CB PRO A 65 13.676 6.243 -27.041 1.00 0.00 C ATOM 1029 CG PRO A 65 12.854 6.702 -25.835 1.00 0.00 C ATOM 1030 CD PRO A 65 13.564 6.056 -24.645 1.00 0.00 C ATOM 0 HA PRO A 65 13.419 4.063 -26.934 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.525 6.902 -27.225 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.080 6.228 -27.953 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.839 7.789 -25.751 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.817 6.374 -25.909 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.272 6.748 -24.189 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.851 5.772 -23.871 1.00 0.00 H new ATOM 1038 N PHE A 66 16.592 4.787 -26.822 1.00 0.00 N ATOM 1039 CA PHE A 66 17.901 4.427 -27.373 1.00 0.00 C ATOM 1040 C PHE A 66 18.336 2.997 -27.019 1.00 0.00 C ATOM 1041 O PHE A 66 19.260 2.467 -27.641 1.00 0.00 O ATOM 1042 CB PHE A 66 18.955 5.419 -26.852 1.00 0.00 C ATOM 1043 CG PHE A 66 18.609 6.882 -27.074 1.00 0.00 C ATOM 1044 CD1 PHE A 66 18.584 7.412 -28.379 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.291 7.711 -25.979 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.240 8.759 -28.589 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.947 9.059 -26.191 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.919 9.583 -27.496 1.00 0.00 C ATOM 0 H PHE A 66 16.654 5.357 -25.979 1.00 0.00 H new ATOM 0 HA PHE A 66 17.815 4.473 -28.459 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.097 5.251 -25.785 1.00 0.00 H new ATOM 0 HB3 PHE A 66 19.907 5.206 -27.338 1.00 0.00 H new ATOM 0 HD1 PHE A 66 18.830 6.782 -29.221 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.311 7.311 -24.976 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.222 9.161 -29.591 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.704 9.692 -25.350 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.651 10.617 -27.658 1.00 0.00 H new ATOM 1058 N SER A 67 17.730 2.373 -26.009 1.00 0.00 N ATOM 1059 CA SER A 67 18.145 1.079 -25.489 1.00 0.00 C ATOM 1060 C SER A 67 17.776 -0.079 -26.416 1.00 0.00 C ATOM 1061 O SER A 67 16.991 0.067 -27.358 1.00 0.00 O ATOM 1062 CB SER A 67 17.486 0.859 -24.122 1.00 0.00 C ATOM 1063 OG SER A 67 17.823 1.896 -23.220 1.00 0.00 O ATOM 0 H SER A 67 16.923 2.763 -25.523 1.00 0.00 H new ATOM 0 HA SER A 67 19.232 1.092 -25.407 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.403 0.813 -24.240 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.803 -0.100 -23.713 1.00 0.00 H new ATOM 0 HG SER A 67 17.826 1.545 -22.305 1.00 0.00 H new ATOM 1069 N LYS A 68 18.293 -1.260 -26.075 1.00 0.00 N ATOM 1070 CA LYS A 68 17.799 -2.548 -26.536 1.00 0.00 C ATOM 1071 C LYS A 68 17.820 -3.446 -25.310 1.00 0.00 C ATOM 1072 O LYS A 68 18.881 -3.951 -24.950 1.00 0.00 O ATOM 1073 CB LYS A 68 18.666 -3.098 -27.686 1.00 0.00 C ATOM 1074 CG LYS A 68 18.105 -4.423 -28.231 1.00 0.00 C ATOM 1075 CD LYS A 68 19.078 -5.071 -29.228 1.00 0.00 C ATOM 1076 CE LYS A 68 18.531 -6.379 -29.823 1.00 0.00 C ATOM 1077 NZ LYS A 68 17.381 -6.169 -30.741 1.00 0.00 N ATOM 0 H LYS A 68 19.094 -1.344 -25.449 1.00 0.00 H new ATOM 0 HA LYS A 68 16.793 -2.480 -26.951 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.714 -2.364 -28.490 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.686 -3.251 -27.333 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.917 -5.108 -27.405 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.147 -4.242 -28.719 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.287 -4.369 -30.035 1.00 0.00 H new ATOM 0 HD3 LYS A 68 20.025 -5.272 -28.727 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.330 -6.887 -30.363 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.224 -7.039 -29.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.058 -7.087 -31.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.604 -5.710 -30.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.675 -5.563 -31.533 1.00 0.00 H new ATOM 1091 N VAL A 69 16.683 -3.591 -24.631 1.00 0.00 N ATOM 1092 CA VAL A 69 16.535 -4.608 -23.596 1.00 0.00 C ATOM 1093 C VAL A 69 16.649 -5.965 -24.301 1.00 0.00 C ATOM 1094 O VAL A 69 16.014 -6.171 -25.340 1.00 0.00 O ATOM 1095 CB VAL A 69 15.183 -4.435 -22.863 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.978 -5.493 -21.767 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.067 -3.040 -22.221 1.00 0.00 C ATOM 0 H VAL A 69 15.853 -3.017 -24.780 1.00 0.00 H new ATOM 0 HA VAL A 69 17.305 -4.524 -22.829 1.00 0.00 H new ATOM 0 HB VAL A 69 14.412 -4.558 -23.624 1.00 0.00 H new ATOM 0 HG11 VAL A 69 14.016 -5.331 -21.281 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.996 -6.487 -22.213 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.776 -5.412 -21.029 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.106 -2.951 -21.714 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.872 -2.904 -21.499 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.141 -2.276 -22.995 1.00 0.00 H new ATOM 1107 N THR A 70 17.428 -6.888 -23.743 1.00 0.00 N ATOM 1108 CA THR A 70 17.590 -8.243 -24.263 1.00 0.00 C ATOM 1109 C THR A 70 17.085 -9.280 -23.250 1.00 0.00 C ATOM 1110 O THR A 70 16.738 -10.395 -23.645 1.00 0.00 O ATOM 1111 CB THR A 70 19.056 -8.467 -24.685 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.940 -8.192 -23.616 1.00 0.00 O ATOM 1113 CG2 THR A 70 19.451 -7.548 -25.849 1.00 0.00 C ATOM 0 H THR A 70 17.975 -6.712 -22.900 1.00 0.00 H new ATOM 0 HA THR A 70 16.976 -8.372 -25.155 1.00 0.00 H new ATOM 0 HB THR A 70 19.132 -9.512 -24.987 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.863 -8.343 -23.908 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.490 -7.732 -26.121 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.810 -7.751 -26.707 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.334 -6.507 -25.547 1.00 0.00 H new ATOM 1121 N ASP A 71 16.965 -8.915 -21.967 1.00 0.00 N ATOM 1122 CA ASP A 71 16.294 -9.705 -20.939 1.00 0.00 C ATOM 1123 C ASP A 71 15.824 -8.766 -19.826 1.00 0.00 C ATOM 1124 O ASP A 71 16.439 -7.724 -19.584 1.00 0.00 O ATOM 1125 CB ASP A 71 17.239 -10.776 -20.369 1.00 0.00 C ATOM 1126 CG ASP A 71 16.570 -11.572 -19.237 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.638 -12.355 -19.525 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.977 -11.422 -18.065 1.00 0.00 O ATOM 0 H ASP A 71 17.344 -8.038 -21.611 1.00 0.00 H new ATOM 0 HA ASP A 71 15.438 -10.217 -21.379 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.541 -11.457 -21.165 1.00 0.00 H new ATOM 0 HB3 ASP A 71 18.146 -10.301 -19.995 1.00 0.00 H new ATOM 1133 N ILE A 72 14.742 -9.137 -19.147 1.00 0.00 N ATOM 1134 CA ILE A 72 14.203 -8.457 -17.979 1.00 0.00 C ATOM 1135 C ILE A 72 13.678 -9.541 -17.025 1.00 0.00 C ATOM 1136 O ILE A 72 13.122 -10.548 -17.476 1.00 0.00 O ATOM 1137 CB ILE A 72 13.148 -7.400 -18.406 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.505 -6.724 -17.173 1.00 0.00 C ATOM 1139 CG2 ILE A 72 12.068 -7.959 -19.359 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.727 -5.443 -17.500 1.00 0.00 C ATOM 0 H ILE A 72 14.195 -9.957 -19.410 1.00 0.00 H new ATOM 0 HA ILE A 72 14.961 -7.883 -17.447 1.00 0.00 H new ATOM 0 HB ILE A 72 13.691 -6.645 -18.974 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.831 -7.433 -16.692 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.287 -6.488 -16.451 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.365 -7.167 -19.616 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.542 -8.332 -20.267 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.535 -8.772 -18.867 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.306 -5.029 -16.584 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.400 -4.714 -17.952 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.921 -5.674 -18.197 1.00 0.00 H new ATOM 1152 N SER A 73 13.859 -9.340 -15.720 1.00 0.00 N ATOM 1153 CA SER A 73 13.471 -10.260 -14.653 1.00 0.00 C ATOM 1154 C SER A 73 12.831 -9.449 -13.526 1.00 0.00 C ATOM 1155 O SER A 73 13.175 -8.280 -13.350 1.00 0.00 O ATOM 1156 CB SER A 73 14.714 -11.004 -14.140 1.00 0.00 C ATOM 1157 OG SER A 73 15.293 -11.818 -15.147 1.00 0.00 O ATOM 0 H SER A 73 14.300 -8.493 -15.362 1.00 0.00 H new ATOM 0 HA SER A 73 12.757 -10.996 -15.024 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.451 -10.282 -13.788 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.441 -11.622 -13.285 1.00 0.00 H new ATOM 0 HG SER A 73 16.081 -12.274 -14.786 1.00 0.00 H new ATOM 1163 N VAL A 74 11.907 -10.045 -12.767 1.00 0.00 N ATOM 1164 CA VAL A 74 11.062 -9.344 -11.801 1.00 0.00 C ATOM 1165 C VAL A 74 10.907 -10.220 -10.548 1.00 0.00 C ATOM 1166 O VAL A 74 10.803 -11.445 -10.650 1.00 0.00 O ATOM 1167 CB VAL A 74 9.685 -9.036 -12.450 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.756 -8.246 -11.513 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.810 -8.258 -13.773 1.00 0.00 C ATOM 0 H VAL A 74 11.723 -11.047 -12.809 1.00 0.00 H new ATOM 0 HA VAL A 74 11.517 -8.398 -11.509 1.00 0.00 H new ATOM 0 HB VAL A 74 9.251 -10.016 -12.651 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.807 -8.057 -12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.578 -8.823 -10.606 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.224 -7.297 -11.253 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.816 -8.071 -14.181 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.312 -7.308 -13.590 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.390 -8.844 -14.486 1.00 0.00 H new ATOM 1179 N THR A 75 10.828 -9.578 -9.382 1.00 0.00 N ATOM 1180 CA THR A 75 10.371 -10.151 -8.121 1.00 0.00 C ATOM 1181 C THR A 75 9.350 -9.156 -7.566 1.00 0.00 C ATOM 1182 O THR A 75 9.600 -7.951 -7.618 1.00 0.00 O ATOM 1183 CB THR A 75 11.555 -10.320 -7.144 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.701 -10.845 -7.795 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.206 -11.253 -5.980 1.00 0.00 C ATOM 0 H THR A 75 11.094 -8.598 -9.290 1.00 0.00 H new ATOM 0 HA THR A 75 9.934 -11.140 -8.260 1.00 0.00 H new ATOM 0 HB THR A 75 11.769 -9.321 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.431 -10.937 -7.148 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.066 -11.344 -5.317 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.362 -10.843 -5.425 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.941 -12.236 -6.369 1.00 0.00 H new ATOM 1193 N GLU A 76 8.221 -9.626 -7.036 1.00 0.00 N ATOM 1194 CA GLU A 76 7.168 -8.780 -6.478 1.00 0.00 C ATOM 1195 C GLU A 76 6.994 -9.154 -5.006 1.00 0.00 C ATOM 1196 O GLU A 76 7.122 -10.328 -4.641 1.00 0.00 O ATOM 1197 CB GLU A 76 5.854 -8.960 -7.253 1.00 0.00 C ATOM 1198 CG GLU A 76 5.962 -8.542 -8.726 1.00 0.00 C ATOM 1199 CD GLU A 76 4.606 -8.655 -9.443 1.00 0.00 C ATOM 1200 OE1 GLU A 76 4.274 -9.748 -9.960 1.00 0.00 O ATOM 1201 OE2 GLU A 76 3.862 -7.651 -9.512 1.00 0.00 O ATOM 0 H GLU A 76 8.010 -10.622 -6.982 1.00 0.00 H new ATOM 0 HA GLU A 76 7.446 -7.729 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.548 -10.005 -7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.072 -8.373 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.324 -7.516 -8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.696 -9.170 -9.231 1.00 0.00 H new ATOM 1208 N SER A 77 6.710 -8.156 -4.166 1.00 0.00 N ATOM 1209 CA SER A 77 6.844 -8.248 -2.720 1.00 0.00 C ATOM 1210 C SER A 77 5.775 -7.392 -2.030 1.00 0.00 C ATOM 1211 O SER A 77 5.272 -6.415 -2.593 1.00 0.00 O ATOM 1212 CB SER A 77 8.256 -7.765 -2.335 1.00 0.00 C ATOM 1213 OG SER A 77 9.269 -8.558 -2.940 1.00 0.00 O ATOM 0 H SER A 77 6.375 -7.246 -4.483 1.00 0.00 H new ATOM 0 HA SER A 77 6.704 -9.279 -2.396 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.379 -6.725 -2.638 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.368 -7.797 -1.251 1.00 0.00 H new ATOM 0 HG SER A 77 10.150 -8.221 -2.675 1.00 0.00 H new ATOM 1219 N ARG A 78 5.473 -7.730 -0.774 1.00 0.00 N ATOM 1220 CA ARG A 78 4.532 -7.015 0.092 1.00 0.00 C ATOM 1221 C ARG A 78 5.299 -6.603 1.350 1.00 0.00 C ATOM 1222 O ARG A 78 4.918 -6.922 2.478 1.00 0.00 O ATOM 1223 CB ARG A 78 3.284 -7.886 0.332 1.00 0.00 C ATOM 1224 CG ARG A 78 2.135 -7.109 1.001 1.00 0.00 C ATOM 1225 CD ARG A 78 0.862 -7.958 1.123 1.00 0.00 C ATOM 1226 NE ARG A 78 1.031 -9.088 2.056 1.00 0.00 N ATOM 1227 CZ ARG A 78 0.165 -10.095 2.228 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -0.971 -10.140 1.534 1.00 0.00 N ATOM 1229 NH2 ARG A 78 0.441 -11.060 3.100 1.00 0.00 N ATOM 0 H ARG A 78 5.892 -8.539 -0.315 1.00 0.00 H new ATOM 0 HA ARG A 78 4.143 -6.102 -0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.939 -8.288 -0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.555 -8.736 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.448 -6.780 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.918 -6.212 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.039 -7.329 1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.586 -8.339 0.140 1.00 0.00 H new ATOM 0 HE ARG A 78 1.881 -9.104 2.619 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.189 -9.403 0.864 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.623 -10.912 1.673 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.309 -11.031 3.635 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.216 -11.829 3.234 1.00 0.00 H new ATOM 1243 N SER A 79 6.423 -5.932 1.122 1.00 0.00 N ATOM 1244 CA SER A 79 7.353 -5.456 2.130 1.00 0.00 C ATOM 1245 C SER A 79 7.786 -4.074 1.653 1.00 0.00 C ATOM 1246 O SER A 79 8.098 -3.903 0.474 1.00 0.00 O ATOM 1247 CB SER A 79 8.549 -6.413 2.234 1.00 0.00 C ATOM 1248 OG SER A 79 8.125 -7.748 2.484 1.00 0.00 O ATOM 0 H SER A 79 6.722 -5.695 0.176 1.00 0.00 H new ATOM 0 HA SER A 79 6.906 -5.409 3.123 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.125 -6.380 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.212 -6.084 3.034 1.00 0.00 H new ATOM 0 HG SER A 79 8.908 -8.334 2.543 1.00 0.00 H new ATOM 1254 N LEU A 80 7.725 -3.081 2.536 1.00 0.00 N ATOM 1255 CA LEU A 80 7.990 -1.687 2.187 1.00 0.00 C ATOM 1256 C LEU A 80 9.492 -1.404 2.312 1.00 0.00 C ATOM 1257 O LEU A 80 10.244 -2.203 2.879 1.00 0.00 O ATOM 1258 CB LEU A 80 7.134 -0.763 3.079 1.00 0.00 C ATOM 1259 CG LEU A 80 5.670 -0.567 2.622 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.583 0.277 1.348 1.00 0.00 C ATOM 1261 CD2 LEU A 80 4.881 -1.867 2.393 1.00 0.00 C ATOM 0 H LEU A 80 7.489 -3.221 3.519 1.00 0.00 H new ATOM 0 HA LEU A 80 7.710 -1.490 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.129 -1.167 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.615 0.214 3.128 1.00 0.00 H new ATOM 0 HG LEU A 80 5.207 -0.051 3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.538 0.392 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.019 1.259 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.129 -0.218 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.867 -1.626 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.372 -2.459 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.844 -2.439 3.320 1.00 0.00 H new ATOM 1273 N GLU A 81 9.926 -0.254 1.799 1.00 0.00 N ATOM 1274 CA GLU A 81 11.330 0.128 1.660 1.00 0.00 C ATOM 1275 C GLU A 81 11.653 1.374 2.497 1.00 0.00 C ATOM 1276 O GLU A 81 12.823 1.685 2.726 1.00 0.00 O ATOM 1277 CB GLU A 81 11.610 0.361 0.161 1.00 0.00 C ATOM 1278 CG GLU A 81 13.073 0.198 -0.273 1.00 0.00 C ATOM 1279 CD GLU A 81 13.737 -1.106 0.221 1.00 0.00 C ATOM 1280 OE1 GLU A 81 13.106 -2.185 0.164 1.00 0.00 O ATOM 1281 OE2 GLU A 81 14.896 -1.052 0.692 1.00 0.00 O ATOM 0 H GLU A 81 9.287 0.463 1.456 1.00 0.00 H new ATOM 0 HA GLU A 81 11.974 -0.667 2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.999 -0.333 -0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.282 1.367 -0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 81 13.123 0.229 -1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.647 1.048 0.097 1.00 0.00 H new ATOM 1288 N GLY A 82 10.624 2.093 2.963 1.00 0.00 N ATOM 1289 CA GLY A 82 10.742 3.228 3.874 1.00 0.00 C ATOM 1290 C GLY A 82 11.341 4.471 3.212 1.00 0.00 C ATOM 1291 O GLY A 82 11.561 5.479 3.888 1.00 0.00 O ATOM 0 H GLY A 82 9.658 1.891 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.756 3.473 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.363 2.941 4.723 1.00 0.00 H new ATOM 1295 N HIS A 83 11.624 4.411 1.907 1.00 0.00 N ATOM 1296 CA HIS A 83 12.118 5.533 1.131 1.00 0.00 C ATOM 1297 C HIS A 83 10.978 6.538 0.926 1.00 0.00 C ATOM 1298 O HIS A 83 9.805 6.160 0.876 1.00 0.00 O ATOM 1299 CB HIS A 83 12.655 5.015 -0.215 1.00 0.00 C ATOM 1300 CG HIS A 83 13.973 4.276 -0.136 1.00 0.00 C ATOM 1301 ND1 HIS A 83 14.423 3.459 0.880 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.968 4.329 -1.076 1.00 0.00 C ATOM 1303 CE1 HIS A 83 15.660 3.040 0.557 1.00 0.00 C ATOM 1304 NE2 HIS A 83 16.046 3.558 -0.623 1.00 0.00 N ATOM 0 H HIS A 83 11.511 3.559 1.357 1.00 0.00 H new ATOM 0 HA HIS A 83 12.931 6.036 1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.910 4.352 -0.655 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.770 5.861 -0.893 1.00 0.00 H new ATOM 0 HD1 HIS A 83 13.909 3.215 1.727 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.928 4.873 -2.008 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.261 2.378 1.163 1.00 0.00 H new ATOM 1312 N HIS A 84 11.332 7.813 0.739 1.00 0.00 N ATOM 1313 CA HIS A 84 10.394 8.904 0.451 1.00 0.00 C ATOM 1314 C HIS A 84 10.860 9.709 -0.780 1.00 0.00 C ATOM 1315 O HIS A 84 10.378 10.813 -1.041 1.00 0.00 O ATOM 1316 CB HIS A 84 10.233 9.759 1.722 1.00 0.00 C ATOM 1317 CG HIS A 84 9.016 10.655 1.720 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.004 12.028 1.612 1.00 0.00 N ATOM 1319 CD2 HIS A 84 7.712 10.252 1.854 1.00 0.00 C ATOM 1320 CE1 HIS A 84 7.727 12.442 1.668 1.00 0.00 C ATOM 1321 NE2 HIS A 84 6.896 11.391 1.818 1.00 0.00 N ATOM 0 H HIS A 84 12.303 8.123 0.785 1.00 0.00 H new ATOM 0 HA HIS A 84 9.411 8.513 0.188 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.181 9.097 2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.123 10.376 1.846 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.373 9.233 1.968 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.411 13.472 1.602 1.00 0.00 H new ATOM 0 HE2 HIS A 84 5.879 11.419 1.891 1.00 0.00 H new ATOM 1329 N ARG A 85 11.815 9.162 -1.542 1.00 0.00 N ATOM 1330 CA ARG A 85 12.361 9.718 -2.777 1.00 0.00 C ATOM 1331 C ARG A 85 12.854 8.548 -3.629 1.00 0.00 C ATOM 1332 O ARG A 85 12.996 7.434 -3.112 1.00 0.00 O ATOM 1333 CB ARG A 85 13.469 10.757 -2.471 1.00 0.00 C ATOM 1334 CG ARG A 85 14.908 10.232 -2.286 1.00 0.00 C ATOM 1335 CD ARG A 85 15.127 9.252 -1.124 1.00 0.00 C ATOM 1336 NE ARG A 85 16.235 8.336 -1.434 1.00 0.00 N ATOM 1337 CZ ARG A 85 16.587 7.242 -0.753 1.00 0.00 C ATOM 1338 NH1 ARG A 85 16.089 6.989 0.455 1.00 0.00 N ATOM 1339 NH2 ARG A 85 17.436 6.400 -1.325 1.00 0.00 N ATOM 0 H ARG A 85 12.248 8.272 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 85 11.600 10.263 -3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.479 11.486 -3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.187 11.292 -1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.216 9.742 -3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.569 11.087 -2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.347 9.804 -0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.215 8.683 -0.942 1.00 0.00 H new ATOM 0 HE ARG A 85 16.794 8.560 -2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.425 7.637 0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.372 6.147 0.957 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.800 6.597 -2.257 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.726 5.555 -0.833 1.00 0.00 H new ATOM 1353 N PHE A 86 13.149 8.791 -4.902 1.00 0.00 N ATOM 1354 CA PHE A 86 13.824 7.825 -5.759 1.00 0.00 C ATOM 1355 C PHE A 86 15.294 8.247 -5.891 1.00 0.00 C ATOM 1356 O PHE A 86 15.591 9.442 -5.787 1.00 0.00 O ATOM 1357 CB PHE A 86 13.096 7.743 -7.112 1.00 0.00 C ATOM 1358 CG PHE A 86 13.223 6.387 -7.777 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.535 5.278 -7.259 1.00 0.00 C ATOM 1360 CD2 PHE A 86 14.020 6.228 -8.920 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.700 4.006 -7.832 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.187 4.960 -9.502 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.536 3.844 -8.948 1.00 0.00 C ATOM 0 H PHE A 86 12.925 9.669 -5.370 1.00 0.00 H new ATOM 0 HA PHE A 86 13.800 6.823 -5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.040 7.970 -6.964 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.496 8.507 -7.779 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.874 5.404 -6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.509 7.087 -9.356 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.184 3.154 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.814 4.843 -10.373 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.679 2.864 -9.380 1.00 0.00 H new ATOM 1373 N SER A 87 16.205 7.294 -6.117 1.00 0.00 N ATOM 1374 CA SER A 87 17.644 7.557 -6.203 1.00 0.00 C ATOM 1375 C SER A 87 18.286 6.848 -7.398 1.00 0.00 C ATOM 1376 O SER A 87 17.820 5.790 -7.833 1.00 0.00 O ATOM 1377 CB SER A 87 18.315 7.100 -4.900 1.00 0.00 C ATOM 1378 OG SER A 87 17.868 7.878 -3.799 1.00 0.00 O ATOM 0 H SER A 87 15.962 6.312 -6.246 1.00 0.00 H new ATOM 0 HA SER A 87 17.787 8.628 -6.347 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.092 6.048 -4.721 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.398 7.185 -4.995 1.00 0.00 H new ATOM 0 HG SER A 87 18.623 8.067 -3.204 1.00 0.00 H new ATOM 1384 N ILE A 88 19.373 7.418 -7.927 1.00 0.00 N ATOM 1385 CA ILE A 88 20.337 6.694 -8.755 1.00 0.00 C ATOM 1386 C ILE A 88 21.471 6.312 -7.796 1.00 0.00 C ATOM 1387 O ILE A 88 21.806 7.092 -6.900 1.00 0.00 O ATOM 1388 CB ILE A 88 20.884 7.556 -9.933 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.770 8.237 -10.756 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.732 6.678 -10.875 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.237 9.162 -11.888 1.00 0.00 C ATOM 0 H ILE A 88 19.608 8.401 -7.791 1.00 0.00 H new ATOM 0 HA ILE A 88 19.870 5.829 -9.227 1.00 0.00 H new ATOM 0 HB ILE A 88 21.489 8.344 -9.484 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.138 7.460 -11.186 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.146 8.816 -10.075 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.111 7.286 -11.696 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.569 6.253 -10.321 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.116 5.873 -11.275 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.369 9.583 -12.395 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.841 9.969 -11.473 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.833 8.592 -12.601 1.00 0.00 H new ATOM 1403 N VAL A 89 22.103 5.163 -8.019 1.00 0.00 N ATOM 1404 CA VAL A 89 23.421 4.868 -7.468 1.00 0.00 C ATOM 1405 C VAL A 89 24.327 4.643 -8.678 1.00 0.00 C ATOM 1406 O VAL A 89 23.961 3.928 -9.616 1.00 0.00 O ATOM 1407 CB VAL A 89 23.392 3.682 -6.476 1.00 0.00 C ATOM 1408 CG1 VAL A 89 24.601 3.754 -5.533 1.00 0.00 C ATOM 1409 CG2 VAL A 89 22.112 3.624 -5.618 1.00 0.00 C ATOM 0 H VAL A 89 21.715 4.410 -8.587 1.00 0.00 H new ATOM 0 HA VAL A 89 23.801 5.689 -6.859 1.00 0.00 H new ATOM 0 HB VAL A 89 23.419 2.782 -7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 89 24.571 2.914 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 89 25.521 3.710 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 89 24.571 4.689 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.163 2.767 -4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 89 22.025 4.539 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.243 3.525 -6.268 1.00 0.00 H new