USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=15 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 64 SER OG : rot 180:sc= 1.16 USER MOD Set 1.2: A 67 SER OG : rot 74:sc= 1.21 USER MOD Set 2.1: A 13 GLN : amide:sc= 0.749 K(o=1.4,f=-1) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.673 K(o=1.4,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.685 (180deg=0.504) USER MOD Single : A 3 GLN : amide:sc= 0.795 K(o=0.79,f=-5.6!) USER MOD Single : A 4 TYR OH : rot -176:sc= 1.34 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.25 X(o=-2.2,f=-2.5!) USER MOD Single : A 23 MET CE :methyl -176:sc= 0 (180deg=-0.0121) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0.803 (180deg=0.803) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -136:sc= 1.21 (180deg=-0.206) USER MOD Single : A 51 ASN : amide:sc= 0.846 K(o=0.85,f=-3.4!) USER MOD Single : A 54 GLN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : A 55 SER OG : rot 71:sc= 0.907 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.796 K(o=0.8,f=-0.00052) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 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=-0.000368 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4!) USER MOD Single : A 84 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.037) USER MOD Single : A 87 SER OG : rot 74:sc= 2.01 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.065 -0.152 -0.418 1.00 0.00 N ATOM 2 CA MET A 1 1.278 -0.049 -1.268 1.00 0.00 C ATOM 3 C MET A 1 1.885 -1.439 -1.491 1.00 0.00 C ATOM 4 O MET A 1 1.643 -2.369 -0.717 1.00 0.00 O ATOM 5 CB MET A 1 2.332 0.922 -0.684 1.00 0.00 C ATOM 6 CG MET A 1 1.996 2.405 -0.910 1.00 0.00 C ATOM 7 SD MET A 1 0.537 3.052 -0.043 1.00 0.00 S ATOM 8 CE MET A 1 0.573 4.764 -0.642 1.00 0.00 C ATOM 0 H1 MET A 1 -0.123 0.767 0.031 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.749 -0.423 -1.006 1.00 0.00 H new ATOM 0 H3 MET A 1 0.216 -0.872 0.317 1.00 0.00 H new ATOM 0 HA MET A 1 0.968 0.367 -2.227 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.428 0.739 0.386 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.301 0.705 -1.133 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.860 2.999 -0.612 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.854 2.563 -1.979 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.260 5.319 -0.209 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.512 5.232 -0.349 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.488 4.771 -1.729 1.00 0.00 H new ATOM 20 N LEU A 2 2.684 -1.582 -2.550 1.00 0.00 N ATOM 21 CA LEU A 2 3.377 -2.807 -2.945 1.00 0.00 C ATOM 22 C LEU A 2 4.820 -2.425 -3.300 1.00 0.00 C ATOM 23 O LEU A 2 5.169 -1.239 -3.269 1.00 0.00 O ATOM 24 CB LEU A 2 2.595 -3.438 -4.121 1.00 0.00 C ATOM 25 CG LEU A 2 2.986 -4.873 -4.534 1.00 0.00 C ATOM 26 CD1 LEU A 2 2.836 -5.875 -3.382 1.00 0.00 C ATOM 27 CD2 LEU A 2 2.107 -5.316 -5.708 1.00 0.00 C ATOM 0 H LEU A 2 2.874 -0.808 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 2 3.420 -3.553 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.536 -3.437 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.712 -2.792 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 2 4.038 -4.859 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.123 -6.869 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.479 -5.577 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.799 -5.892 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.379 -6.329 -6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.060 -5.295 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.256 -4.640 -6.550 1.00 0.00 H new ATOM 39 N GLN A 3 5.666 -3.403 -3.623 1.00 0.00 N ATOM 40 CA GLN A 3 7.062 -3.211 -3.991 1.00 0.00 C ATOM 41 C GLN A 3 7.437 -4.259 -5.045 1.00 0.00 C ATOM 42 O GLN A 3 6.808 -5.318 -5.132 1.00 0.00 O ATOM 43 CB GLN A 3 7.896 -3.341 -2.702 1.00 0.00 C ATOM 44 CG GLN A 3 9.418 -3.153 -2.817 1.00 0.00 C ATOM 45 CD GLN A 3 10.103 -3.586 -1.524 1.00 0.00 C ATOM 46 OE1 GLN A 3 9.961 -4.729 -1.100 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.832 -2.707 -0.858 1.00 0.00 N ATOM 0 H GLN A 3 5.385 -4.383 -3.635 1.00 0.00 H new ATOM 0 HA GLN A 3 7.250 -2.231 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.521 -2.612 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.710 -4.329 -2.280 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.802 -3.737 -3.653 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.648 -2.108 -3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.944 -1.760 -1.219 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.283 -2.976 0.017 1.00 0.00 H new ATOM 56 N TYR A 4 8.479 -3.997 -5.829 1.00 0.00 N ATOM 57 CA TYR A 4 9.166 -5.019 -6.607 1.00 0.00 C ATOM 58 C TYR A 4 10.657 -4.704 -6.702 1.00 0.00 C ATOM 59 O TYR A 4 11.095 -3.589 -6.400 1.00 0.00 O ATOM 60 CB TYR A 4 8.517 -5.216 -7.990 1.00 0.00 C ATOM 61 CG TYR A 4 8.258 -3.996 -8.859 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.271 -3.059 -9.154 1.00 0.00 C ATOM 63 CD2 TYR A 4 6.995 -3.866 -9.467 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.024 -2.004 -10.047 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.747 -2.825 -10.373 1.00 0.00 C ATOM 66 CZ TYR A 4 7.764 -1.893 -10.670 1.00 0.00 C ATOM 67 OH TYR A 4 7.549 -0.903 -11.573 1.00 0.00 O ATOM 0 H TYR A 4 8.872 -3.062 -5.942 1.00 0.00 H new ATOM 0 HA TYR A 4 9.064 -5.971 -6.087 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.151 -5.897 -8.558 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.563 -5.721 -7.838 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.242 -3.154 -8.690 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.212 -4.573 -9.234 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.797 -1.279 -10.256 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.779 -2.737 -10.843 1.00 0.00 H new ATOM 0 HH TYR A 4 6.614 -0.924 -11.865 1.00 0.00 H new ATOM 77 N ARG A 5 11.420 -5.680 -7.188 1.00 0.00 N ATOM 78 CA ARG A 5 12.792 -5.536 -7.648 1.00 0.00 C ATOM 79 C ARG A 5 12.806 -6.085 -9.071 1.00 0.00 C ATOM 80 O ARG A 5 12.146 -7.091 -9.345 1.00 0.00 O ATOM 81 CB ARG A 5 13.726 -6.298 -6.693 1.00 0.00 C ATOM 82 CG ARG A 5 15.204 -5.881 -6.793 1.00 0.00 C ATOM 83 CD ARG A 5 15.991 -6.577 -5.672 1.00 0.00 C ATOM 84 NE ARG A 5 17.302 -5.953 -5.419 1.00 0.00 N ATOM 85 CZ ARG A 5 18.208 -6.372 -4.528 1.00 0.00 C ATOM 86 NH1 ARG A 5 18.008 -7.468 -3.800 1.00 0.00 N ATOM 87 NH2 ARG A 5 19.326 -5.673 -4.390 1.00 0.00 N ATOM 0 H ARG A 5 11.079 -6.637 -7.274 1.00 0.00 H new ATOM 0 HA ARG A 5 13.145 -4.505 -7.653 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.385 -6.144 -5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.646 -7.365 -6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.609 -6.157 -7.766 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.298 -4.799 -6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.402 -6.557 -4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.138 -7.625 -5.934 1.00 0.00 H new ATOM 0 HE ARG A 5 17.540 -5.129 -5.972 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.150 -8.007 -3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.713 -7.769 -3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.479 -4.838 -4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 5 20.034 -5.970 -3.718 1.00 0.00 H new ATOM 101 N ILE A 6 13.499 -5.410 -9.981 1.00 0.00 N ATOM 102 CA ILE A 6 13.527 -5.720 -11.403 1.00 0.00 C ATOM 103 C ILE A 6 14.992 -5.677 -11.821 1.00 0.00 C ATOM 104 O ILE A 6 15.722 -4.772 -11.412 1.00 0.00 O ATOM 105 CB ILE A 6 12.630 -4.729 -12.198 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.159 -4.869 -11.740 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.751 -4.927 -13.721 1.00 0.00 C ATOM 108 CD1 ILE A 6 10.120 -4.064 -12.533 1.00 0.00 C ATOM 0 H ILE A 6 14.076 -4.604 -9.739 1.00 0.00 H new ATOM 0 HA ILE A 6 13.117 -6.707 -11.618 1.00 0.00 H new ATOM 0 HB ILE A 6 12.979 -3.719 -11.984 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.885 -5.923 -11.788 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.097 -4.571 -10.693 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.106 -4.213 -14.233 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.785 -4.768 -14.028 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.447 -5.941 -13.981 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.128 -4.243 -12.119 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.354 -3.002 -12.466 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.139 -4.375 -13.578 1.00 0.00 H new ATOM 120 N ILE A 7 15.412 -6.628 -12.651 1.00 0.00 N ATOM 121 CA ILE A 7 16.739 -6.666 -13.254 1.00 0.00 C ATOM 122 C ILE A 7 16.501 -6.528 -14.757 1.00 0.00 C ATOM 123 O ILE A 7 15.559 -7.124 -15.284 1.00 0.00 O ATOM 124 CB ILE A 7 17.496 -7.973 -12.900 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.398 -8.403 -11.417 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.969 -7.876 -13.325 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.957 -7.399 -10.403 1.00 0.00 C ATOM 0 H ILE A 7 14.823 -7.413 -12.929 1.00 0.00 H new ATOM 0 HA ILE A 7 17.376 -5.866 -12.877 1.00 0.00 H new ATOM 0 HB ILE A 7 16.988 -8.755 -13.465 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.351 -8.589 -11.179 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.926 -9.349 -11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.483 -8.802 -13.068 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.027 -7.715 -14.401 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.443 -7.042 -12.807 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.840 -7.796 -9.395 1.00 0.00 H new ATOM 0 HD12 ILE A 7 19.014 -7.228 -10.605 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.415 -6.457 -10.487 1.00 0.00 H new ATOM 139 N VAL A 8 17.340 -5.760 -15.446 1.00 0.00 N ATOM 140 CA VAL A 8 17.208 -5.478 -16.869 1.00 0.00 C ATOM 141 C VAL A 8 18.587 -5.697 -17.484 1.00 0.00 C ATOM 142 O VAL A 8 19.597 -5.276 -16.915 1.00 0.00 O ATOM 143 CB VAL A 8 16.686 -4.039 -17.092 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.250 -3.850 -18.551 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.480 -3.685 -16.206 1.00 0.00 C ATOM 0 H VAL A 8 18.148 -5.307 -15.019 1.00 0.00 H new ATOM 0 HA VAL A 8 16.480 -6.135 -17.345 1.00 0.00 H new ATOM 0 HB VAL A 8 17.517 -3.384 -16.830 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.885 -2.833 -18.693 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.100 -4.026 -19.210 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.455 -4.557 -18.788 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.164 -2.662 -16.413 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.658 -4.369 -16.420 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.761 -3.773 -15.157 1.00 0.00 H new ATOM 155 N ASP A 9 18.633 -6.363 -18.634 1.00 0.00 N ATOM 156 CA ASP A 9 19.850 -6.814 -19.292 1.00 0.00 C ATOM 157 C ASP A 9 19.752 -6.485 -20.779 1.00 0.00 C ATOM 158 O ASP A 9 18.654 -6.474 -21.341 1.00 0.00 O ATOM 159 CB ASP A 9 19.991 -8.327 -19.106 1.00 0.00 C ATOM 160 CG ASP A 9 21.227 -8.863 -19.839 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.305 -8.236 -19.727 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.139 -9.931 -20.485 1.00 0.00 O ATOM 0 H ASP A 9 17.790 -6.612 -19.151 1.00 0.00 H new ATOM 0 HA ASP A 9 20.719 -6.317 -18.861 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.065 -8.560 -18.044 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.098 -8.827 -19.480 1.00 0.00 H new ATOM 167 N GLY A 10 20.885 -6.194 -21.414 1.00 0.00 N ATOM 168 CA GLY A 10 20.968 -5.771 -22.803 1.00 0.00 C ATOM 169 C GLY A 10 21.916 -4.585 -22.918 1.00 0.00 C ATOM 170 O GLY A 10 22.767 -4.371 -22.050 1.00 0.00 O ATOM 0 H GLY A 10 21.796 -6.249 -20.959 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.321 -6.594 -23.424 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.979 -5.496 -23.170 1.00 0.00 H new ATOM 174 N ARG A 11 21.761 -3.783 -23.974 1.00 0.00 N ATOM 175 CA ARG A 11 22.381 -2.464 -24.047 1.00 0.00 C ATOM 176 C ARG A 11 21.596 -1.554 -23.106 1.00 0.00 C ATOM 177 O ARG A 11 20.623 -0.931 -23.529 1.00 0.00 O ATOM 178 CB ARG A 11 22.407 -1.956 -25.503 1.00 0.00 C ATOM 179 CG ARG A 11 23.055 -0.570 -25.681 1.00 0.00 C ATOM 180 CD ARG A 11 24.559 -0.557 -25.369 1.00 0.00 C ATOM 181 NE ARG A 11 25.109 0.807 -25.446 1.00 0.00 N ATOM 182 CZ ARG A 11 25.491 1.452 -26.559 1.00 0.00 C ATOM 183 NH1 ARG A 11 25.492 0.829 -27.736 1.00 0.00 N ATOM 184 NH2 ARG A 11 25.866 2.726 -26.499 1.00 0.00 N ATOM 0 H ARG A 11 21.207 -4.029 -24.794 1.00 0.00 H new ATOM 0 HA ARG A 11 23.425 -2.489 -23.733 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.946 -2.677 -26.117 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.385 -1.917 -25.880 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.901 -0.234 -26.706 1.00 0.00 H new ATOM 0 HG3 ARG A 11 22.550 0.145 -25.032 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.730 -0.965 -24.373 1.00 0.00 H new ATOM 0 HD3 ARG A 11 25.084 -1.204 -26.072 1.00 0.00 H new ATOM 0 HE ARG A 11 25.210 1.312 -24.565 1.00 0.00 H new ATOM 0 HH11 ARG A 11 25.201 -0.147 -27.797 1.00 0.00 H new ATOM 0 HH12 ARG A 11 25.784 1.327 -28.577 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.864 3.217 -25.605 1.00 0.00 H new ATOM 0 HH22 ARG A 11 26.156 3.213 -27.347 1.00 0.00 H new ATOM 198 N VAL A 12 22.001 -1.504 -21.839 1.00 0.00 N ATOM 199 CA VAL A 12 21.432 -0.625 -20.815 1.00 0.00 C ATOM 200 C VAL A 12 22.548 0.131 -20.069 1.00 0.00 C ATOM 201 O VAL A 12 22.295 0.807 -19.070 1.00 0.00 O ATOM 202 CB VAL A 12 20.470 -1.415 -19.896 1.00 0.00 C ATOM 203 CG1 VAL A 12 19.168 -1.769 -20.634 1.00 0.00 C ATOM 204 CG2 VAL A 12 21.068 -2.706 -19.318 1.00 0.00 C ATOM 0 H VAL A 12 22.756 -2.090 -21.484 1.00 0.00 H new ATOM 0 HA VAL A 12 20.822 0.146 -21.286 1.00 0.00 H new ATOM 0 HB VAL A 12 20.273 -0.744 -19.060 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.510 -2.324 -19.965 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.671 -0.853 -20.955 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.399 -2.381 -21.506 1.00 0.00 H new ATOM 0 HG21 VAL A 12 20.329 -3.198 -18.686 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.350 -3.373 -20.133 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.950 -2.465 -18.725 1.00 0.00 H new ATOM 214 N GLN A 13 23.783 0.076 -20.580 1.00 0.00 N ATOM 215 CA GLN A 13 24.929 0.873 -20.160 1.00 0.00 C ATOM 216 C GLN A 13 25.556 1.453 -21.430 1.00 0.00 C ATOM 217 O GLN A 13 25.264 1.000 -22.542 1.00 0.00 O ATOM 218 CB GLN A 13 25.955 0.042 -19.366 1.00 0.00 C ATOM 219 CG GLN A 13 25.397 -0.669 -18.120 1.00 0.00 C ATOM 220 CD GLN A 13 24.870 -2.086 -18.374 1.00 0.00 C ATOM 221 OE1 GLN A 13 24.685 -2.534 -19.503 1.00 0.00 O ATOM 222 NE2 GLN A 13 24.638 -2.849 -17.321 1.00 0.00 N ATOM 0 H GLN A 13 24.017 -0.563 -21.340 1.00 0.00 H new ATOM 0 HA GLN A 13 24.605 1.665 -19.485 1.00 0.00 H new ATOM 0 HB2 GLN A 13 26.384 -0.707 -20.031 1.00 0.00 H new ATOM 0 HB3 GLN A 13 26.769 0.698 -19.057 1.00 0.00 H new ATOM 0 HG2 GLN A 13 26.181 -0.718 -17.364 1.00 0.00 H new ATOM 0 HG3 GLN A 13 24.590 -0.065 -17.704 1.00 0.00 H new ATOM 0 HE21 GLN A 13 24.790 -2.482 -16.382 1.00 0.00 H new ATOM 0 HE22 GLN A 13 24.307 -3.805 -17.447 1.00 0.00 H new ATOM 231 N GLY A 14 26.368 2.505 -21.292 1.00 0.00 N ATOM 232 CA GLY A 14 26.731 3.350 -22.427 1.00 0.00 C ATOM 233 C GLY A 14 25.498 4.013 -23.057 1.00 0.00 C ATOM 234 O GLY A 14 25.540 4.395 -24.225 1.00 0.00 O ATOM 0 H GLY A 14 26.785 2.789 -20.406 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.430 4.119 -22.099 1.00 0.00 H new ATOM 0 HA3 GLY A 14 27.245 2.750 -23.178 1.00 0.00 H new ATOM 238 N VAL A 15 24.399 4.103 -22.301 1.00 0.00 N ATOM 239 CA VAL A 15 23.143 4.783 -22.590 1.00 0.00 C ATOM 240 C VAL A 15 22.636 5.248 -21.221 1.00 0.00 C ATOM 241 O VAL A 15 22.938 4.606 -20.206 1.00 0.00 O ATOM 242 CB VAL A 15 22.119 3.852 -23.292 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.512 3.557 -24.744 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.894 2.510 -22.576 1.00 0.00 C ATOM 0 H VAL A 15 24.369 3.657 -21.384 1.00 0.00 H new ATOM 0 HA VAL A 15 23.283 5.612 -23.284 1.00 0.00 H new ATOM 0 HB VAL A 15 21.187 4.415 -23.257 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.768 2.902 -25.197 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.562 4.491 -25.304 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.486 3.068 -24.765 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.165 1.919 -23.131 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.836 1.965 -22.521 1.00 0.00 H new ATOM 0 HG23 VAL A 15 21.521 2.693 -21.568 1.00 0.00 H new ATOM 254 N GLY A 16 21.867 6.334 -21.162 1.00 0.00 N ATOM 255 CA GLY A 16 21.484 6.988 -19.912 1.00 0.00 C ATOM 256 C GLY A 16 20.326 6.300 -19.189 1.00 0.00 C ATOM 257 O GLY A 16 19.487 6.986 -18.606 1.00 0.00 O ATOM 0 H GLY A 16 21.488 6.790 -21.992 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.348 7.019 -19.248 1.00 0.00 H new ATOM 0 HA3 GLY A 16 21.207 8.021 -20.123 1.00 0.00 H new ATOM 261 N PHE A 17 20.231 4.967 -19.245 1.00 0.00 N ATOM 262 CA PHE A 17 19.047 4.246 -18.788 1.00 0.00 C ATOM 263 C PHE A 17 18.729 4.508 -17.312 1.00 0.00 C ATOM 264 O PHE A 17 17.564 4.678 -16.969 1.00 0.00 O ATOM 265 CB PHE A 17 19.178 2.740 -19.073 1.00 0.00 C ATOM 266 CG PHE A 17 17.920 1.944 -18.759 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.670 2.387 -19.233 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.982 0.780 -17.968 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.496 1.690 -18.908 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.810 0.059 -17.672 1.00 0.00 C ATOM 271 CZ PHE A 17 15.565 0.512 -18.145 1.00 0.00 C ATOM 0 H PHE A 17 20.970 4.364 -19.607 1.00 0.00 H new ATOM 0 HA PHE A 17 18.202 4.631 -19.358 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.433 2.599 -20.123 1.00 0.00 H new ATOM 0 HB3 PHE A 17 20.006 2.340 -18.488 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.614 3.270 -19.852 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.933 0.439 -17.587 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.539 2.059 -19.245 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.867 -0.843 -17.081 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.666 -0.043 -17.923 1.00 0.00 H new ATOM 281 N ARG A 18 19.738 4.625 -16.438 1.00 0.00 N ATOM 282 CA ARG A 18 19.503 4.942 -15.022 1.00 0.00 C ATOM 283 C ARG A 18 18.758 6.269 -14.876 1.00 0.00 C ATOM 284 O ARG A 18 17.846 6.358 -14.056 1.00 0.00 O ATOM 285 CB ARG A 18 20.833 4.956 -14.245 1.00 0.00 C ATOM 286 CG ARG A 18 21.412 3.535 -14.065 1.00 0.00 C ATOM 287 CD ARG A 18 22.949 3.467 -14.088 1.00 0.00 C ATOM 288 NE ARG A 18 23.534 4.025 -15.325 1.00 0.00 N ATOM 289 CZ ARG A 18 23.372 3.586 -16.580 1.00 0.00 C ATOM 290 NH1 ARG A 18 22.730 2.446 -16.827 1.00 0.00 N ATOM 291 NH2 ARG A 18 23.829 4.326 -17.583 1.00 0.00 N ATOM 0 H ARG A 18 20.721 4.506 -16.685 1.00 0.00 H new ATOM 0 HA ARG A 18 18.872 4.163 -14.594 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.555 5.578 -14.774 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.677 5.411 -13.267 1.00 0.00 H new ATOM 0 HG2 ARG A 18 21.057 3.128 -13.118 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.020 2.894 -14.854 1.00 0.00 H new ATOM 0 HD2 ARG A 18 23.344 4.010 -13.229 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.263 2.429 -13.981 1.00 0.00 H new ATOM 0 HE ARG A 18 24.133 4.842 -15.209 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.354 1.895 -16.055 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.614 2.124 -17.788 1.00 0.00 H new ATOM 0 HH21 ARG A 18 24.295 5.213 -17.391 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.715 4.007 -18.545 1.00 0.00 H new ATOM 305 N TYR A 19 19.087 7.278 -15.685 1.00 0.00 N ATOM 306 CA TYR A 19 18.388 8.558 -15.663 1.00 0.00 C ATOM 307 C TYR A 19 16.982 8.413 -16.246 1.00 0.00 C ATOM 308 O TYR A 19 16.047 8.998 -15.702 1.00 0.00 O ATOM 309 CB TYR A 19 19.187 9.626 -16.425 1.00 0.00 C ATOM 310 CG TYR A 19 20.594 9.833 -15.894 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.798 10.556 -14.703 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.697 9.284 -16.577 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.097 10.727 -14.190 1.00 0.00 C ATOM 314 CE2 TYR A 19 22.998 9.450 -16.070 1.00 0.00 C ATOM 315 CZ TYR A 19 23.205 10.171 -14.873 1.00 0.00 C ATOM 316 OH TYR A 19 24.471 10.325 -14.392 1.00 0.00 O ATOM 0 H TYR A 19 19.842 7.229 -16.369 1.00 0.00 H new ATOM 0 HA TYR A 19 18.295 8.880 -14.626 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.243 9.343 -17.476 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.648 10.572 -16.378 1.00 0.00 H new ATOM 0 HD1 TYR A 19 19.954 10.981 -14.181 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.543 8.734 -17.493 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.248 11.282 -13.276 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.840 9.026 -16.596 1.00 0.00 H new ATOM 0 HH TYR A 19 25.105 9.876 -14.990 1.00 0.00 H new ATOM 326 N PHE A 20 16.796 7.619 -17.309 1.00 0.00 N ATOM 327 CA PHE A 20 15.470 7.359 -17.870 1.00 0.00 C ATOM 328 C PHE A 20 14.554 6.779 -16.791 1.00 0.00 C ATOM 329 O PHE A 20 13.486 7.326 -16.518 1.00 0.00 O ATOM 330 CB PHE A 20 15.562 6.418 -19.082 1.00 0.00 C ATOM 331 CG PHE A 20 14.237 6.203 -19.789 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.764 7.154 -20.713 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.475 5.047 -19.525 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.537 6.950 -21.369 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.254 4.839 -20.190 1.00 0.00 C ATOM 336 CZ PHE A 20 11.784 5.791 -21.111 1.00 0.00 C ATOM 0 H PHE A 20 17.555 7.144 -17.798 1.00 0.00 H new ATOM 0 HA PHE A 20 15.045 8.301 -18.218 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.281 6.825 -19.793 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.949 5.453 -18.753 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.344 8.041 -20.918 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.830 4.319 -18.810 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.173 7.685 -22.072 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.677 3.948 -19.993 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.845 5.632 -21.620 1.00 0.00 H new ATOM 346 N VAL A 21 15.008 5.713 -16.127 1.00 0.00 N ATOM 347 CA VAL A 21 14.290 5.076 -15.035 1.00 0.00 C ATOM 348 C VAL A 21 14.046 6.094 -13.912 1.00 0.00 C ATOM 349 O VAL A 21 12.940 6.137 -13.374 1.00 0.00 O ATOM 350 CB VAL A 21 15.084 3.836 -14.571 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.446 3.151 -13.362 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.170 2.774 -15.677 1.00 0.00 C ATOM 0 H VAL A 21 15.899 5.266 -16.341 1.00 0.00 H new ATOM 0 HA VAL A 21 13.308 4.731 -15.360 1.00 0.00 H new ATOM 0 HB VAL A 21 16.072 4.216 -14.311 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.044 2.285 -13.077 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.401 3.852 -12.528 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.437 2.827 -13.618 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.736 1.916 -15.314 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.165 2.455 -15.954 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.670 3.196 -16.549 1.00 0.00 H new ATOM 362 N GLN A 22 15.032 6.938 -13.583 1.00 0.00 N ATOM 363 CA GLN A 22 14.887 7.939 -12.533 1.00 0.00 C ATOM 364 C GLN A 22 13.699 8.856 -12.815 1.00 0.00 C ATOM 365 O GLN A 22 12.851 9.058 -11.946 1.00 0.00 O ATOM 366 CB GLN A 22 16.187 8.757 -12.378 1.00 0.00 C ATOM 367 CG GLN A 22 16.198 9.604 -11.091 1.00 0.00 C ATOM 368 CD GLN A 22 16.256 8.769 -9.815 1.00 0.00 C ATOM 369 OE1 GLN A 22 15.880 9.227 -8.745 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.702 7.526 -9.906 1.00 0.00 N ATOM 0 H GLN A 22 15.945 6.942 -14.037 1.00 0.00 H new ATOM 0 HA GLN A 22 14.696 7.421 -11.593 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.041 8.079 -12.371 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.306 9.411 -13.241 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.055 10.277 -11.115 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.304 10.227 -11.068 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.012 7.160 -10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.736 6.934 -9.076 1.00 0.00 H new ATOM 379 N MET A 23 13.636 9.405 -14.025 1.00 0.00 N ATOM 380 CA MET A 23 12.620 10.382 -14.380 1.00 0.00 C ATOM 381 C MET A 23 11.254 9.704 -14.497 1.00 0.00 C ATOM 382 O MET A 23 10.254 10.280 -14.070 1.00 0.00 O ATOM 383 CB MET A 23 13.028 11.097 -15.672 1.00 0.00 C ATOM 384 CG MET A 23 14.325 11.893 -15.452 1.00 0.00 C ATOM 385 SD MET A 23 14.905 12.840 -16.892 1.00 0.00 S ATOM 386 CE MET A 23 15.446 11.499 -17.988 1.00 0.00 C ATOM 0 H MET A 23 14.285 9.185 -14.780 1.00 0.00 H new ATOM 0 HA MET A 23 12.536 11.135 -13.596 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.171 10.368 -16.470 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.231 11.768 -15.992 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.173 12.582 -14.621 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.111 11.200 -15.152 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.894 11.922 -18.887 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.181 10.881 -17.472 1.00 0.00 H new ATOM 0 HE3 MET A 23 14.588 10.887 -18.265 1.00 0.00 H new ATOM 396 N GLU A 24 11.201 8.471 -15.008 1.00 0.00 N ATOM 397 CA GLU A 24 9.954 7.722 -15.119 1.00 0.00 C ATOM 398 C GLU A 24 9.397 7.333 -13.743 1.00 0.00 C ATOM 399 O GLU A 24 8.177 7.281 -13.584 1.00 0.00 O ATOM 400 CB GLU A 24 10.147 6.493 -16.026 1.00 0.00 C ATOM 401 CG GLU A 24 10.317 6.864 -17.511 1.00 0.00 C ATOM 402 CD GLU A 24 9.060 7.537 -18.082 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.117 6.833 -18.505 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.961 8.785 -18.051 1.00 0.00 O ATOM 0 H GLU A 24 12.019 7.969 -15.354 1.00 0.00 H new ATOM 0 HA GLU A 24 9.210 8.371 -15.581 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.023 5.936 -15.693 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.288 5.830 -15.918 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.170 7.534 -17.622 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.541 5.965 -18.086 1.00 0.00 H new ATOM 411 N ALA A 25 10.252 7.109 -12.739 1.00 0.00 N ATOM 412 CA ALA A 25 9.811 6.888 -11.366 1.00 0.00 C ATOM 413 C ALA A 25 9.330 8.196 -10.736 1.00 0.00 C ATOM 414 O ALA A 25 8.308 8.216 -10.047 1.00 0.00 O ATOM 415 CB ALA A 25 10.973 6.342 -10.536 1.00 0.00 C ATOM 0 H ALA A 25 11.264 7.077 -12.859 1.00 0.00 H new ATOM 0 HA ALA A 25 8.988 6.173 -11.381 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.642 6.177 -9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.314 5.399 -10.963 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.793 7.060 -10.542 1.00 0.00 H new ATOM 421 N ASP A 26 10.072 9.285 -10.962 1.00 0.00 N ATOM 422 CA ASP A 26 9.814 10.586 -10.354 1.00 0.00 C ATOM 423 C ASP A 26 8.492 11.174 -10.842 1.00 0.00 C ATOM 424 O ASP A 26 7.682 11.606 -10.023 1.00 0.00 O ATOM 425 CB ASP A 26 10.959 11.558 -10.656 1.00 0.00 C ATOM 426 CG ASP A 26 10.650 12.952 -10.085 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.777 13.146 -8.857 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.299 13.865 -10.866 1.00 0.00 O ATOM 0 H ASP A 26 10.881 9.283 -11.583 1.00 0.00 H new ATOM 0 HA ASP A 26 9.747 10.438 -9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.887 11.180 -10.226 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.111 11.626 -11.733 1.00 0.00 H new ATOM 433 N LYS A 27 8.210 11.111 -12.151 1.00 0.00 N ATOM 434 CA LYS A 27 6.924 11.557 -12.695 1.00 0.00 C ATOM 435 C LYS A 27 5.751 10.727 -12.170 1.00 0.00 C ATOM 436 O LYS A 27 4.607 11.172 -12.258 1.00 0.00 O ATOM 437 CB LYS A 27 6.972 11.658 -14.233 1.00 0.00 C ATOM 438 CG LYS A 27 7.048 10.332 -15.013 1.00 0.00 C ATOM 439 CD LYS A 27 5.684 9.685 -15.311 1.00 0.00 C ATOM 440 CE LYS A 27 5.822 8.405 -16.148 1.00 0.00 C ATOM 441 NZ LYS A 27 6.236 8.670 -17.547 1.00 0.00 N ATOM 0 H LYS A 27 8.859 10.754 -12.853 1.00 0.00 H new ATOM 0 HA LYS A 27 6.741 12.567 -12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.086 12.198 -14.566 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.836 12.264 -14.507 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.565 10.510 -15.956 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.654 9.626 -14.445 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.181 9.451 -14.372 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.053 10.398 -15.842 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.552 7.747 -15.677 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.870 7.875 -16.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.313 7.770 -18.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.528 9.275 -18.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.158 9.151 -17.551 1.00 0.00 H new ATOM 455 N ARG A 28 6.018 9.541 -11.611 1.00 0.00 N ATOM 456 CA ARG A 28 5.018 8.656 -11.019 1.00 0.00 C ATOM 457 C ARG A 28 5.094 8.676 -9.484 1.00 0.00 C ATOM 458 O ARG A 28 4.408 7.887 -8.836 1.00 0.00 O ATOM 459 CB ARG A 28 5.200 7.245 -11.619 1.00 0.00 C ATOM 460 CG ARG A 28 3.881 6.489 -11.828 1.00 0.00 C ATOM 461 CD ARG A 28 3.050 7.080 -12.979 1.00 0.00 C ATOM 462 NE ARG A 28 1.900 6.219 -13.318 1.00 0.00 N ATOM 463 CZ ARG A 28 0.751 6.088 -12.640 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.469 6.868 -11.601 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.099 5.138 -13.002 1.00 0.00 N ATOM 0 H ARG A 28 6.964 9.163 -11.558 1.00 0.00 H new ATOM 0 HA ARG A 28 4.014 9.004 -11.260 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.715 7.330 -12.576 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.843 6.660 -10.961 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.094 5.441 -12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.297 6.519 -10.908 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.693 8.071 -12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.683 7.206 -13.858 1.00 0.00 H new ATOM 0 HE ARG A 28 1.990 5.659 -14.166 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.133 7.584 -11.305 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.411 6.751 -11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.126 4.523 -13.784 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.979 5.022 -12.499 1.00 0.00 H new ATOM 479 N LYS A 29 5.894 9.582 -8.900 1.00 0.00 N ATOM 480 CA LYS A 29 6.102 9.775 -7.462 1.00 0.00 C ATOM 481 C LYS A 29 6.406 8.464 -6.718 1.00 0.00 C ATOM 482 O LYS A 29 6.000 8.298 -5.564 1.00 0.00 O ATOM 483 CB LYS A 29 4.933 10.580 -6.854 1.00 0.00 C ATOM 484 CG LYS A 29 4.742 11.957 -7.520 1.00 0.00 C ATOM 485 CD LYS A 29 3.575 12.759 -6.915 1.00 0.00 C ATOM 486 CE LYS A 29 3.747 13.137 -5.434 1.00 0.00 C ATOM 487 NZ LYS A 29 4.858 14.096 -5.202 1.00 0.00 N ATOM 0 H LYS A 29 6.444 10.237 -9.455 1.00 0.00 H new ATOM 0 HA LYS A 29 7.005 10.371 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.013 10.004 -6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.110 10.719 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.662 12.533 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.566 11.818 -8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.442 13.672 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.659 12.177 -7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.817 13.571 -5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.928 12.233 -4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.924 14.312 -4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.753 13.676 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.676 14.973 -5.731 1.00 0.00 H new ATOM 501 N LEU A 30 7.100 7.520 -7.363 1.00 0.00 N ATOM 502 CA LEU A 30 7.560 6.297 -6.701 1.00 0.00 C ATOM 503 C LEU A 30 8.766 6.613 -5.810 1.00 0.00 C ATOM 504 O LEU A 30 9.386 7.673 -5.945 1.00 0.00 O ATOM 505 CB LEU A 30 7.899 5.217 -7.743 1.00 0.00 C ATOM 506 CG LEU A 30 6.667 4.668 -8.489 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.124 3.710 -9.585 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.689 3.924 -7.574 1.00 0.00 C ATOM 0 H LEU A 30 7.356 7.582 -8.348 1.00 0.00 H new ATOM 0 HA LEU A 30 6.762 5.906 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.598 5.632 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.409 4.392 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 30 6.143 5.530 -8.902 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.254 3.321 -10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.768 4.240 -10.287 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.677 2.884 -9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.844 3.563 -8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.196 3.078 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.329 4.601 -6.799 1.00 0.00 H new ATOM 520 N ALA A 31 9.129 5.682 -4.923 1.00 0.00 N ATOM 521 CA ALA A 31 10.329 5.756 -4.096 1.00 0.00 C ATOM 522 C ALA A 31 11.057 4.414 -4.168 1.00 0.00 C ATOM 523 O ALA A 31 10.419 3.385 -4.398 1.00 0.00 O ATOM 524 CB ALA A 31 9.962 6.117 -2.655 1.00 0.00 C ATOM 0 H ALA A 31 8.581 4.837 -4.759 1.00 0.00 H new ATOM 0 HA ALA A 31 10.991 6.539 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.868 6.168 -2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.460 7.084 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.297 5.356 -2.247 1.00 0.00 H new ATOM 530 N GLY A 32 12.387 4.432 -4.053 1.00 0.00 N ATOM 531 CA GLY A 32 13.212 3.288 -4.416 1.00 0.00 C ATOM 532 C GLY A 32 14.557 3.726 -4.984 1.00 0.00 C ATOM 533 O GLY A 32 14.944 4.890 -4.828 1.00 0.00 O ATOM 0 H GLY A 32 12.914 5.234 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.373 2.662 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.687 2.678 -5.151 1.00 0.00 H new ATOM 537 N TRP A 33 15.253 2.823 -5.679 1.00 0.00 N ATOM 538 CA TRP A 33 16.531 3.097 -6.322 1.00 0.00 C ATOM 539 C TRP A 33 16.612 2.493 -7.723 1.00 0.00 C ATOM 540 O TRP A 33 15.912 1.532 -8.048 1.00 0.00 O ATOM 541 CB TRP A 33 17.702 2.598 -5.454 1.00 0.00 C ATOM 542 CG TRP A 33 17.826 1.123 -5.155 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.071 0.130 -6.047 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.820 0.469 -3.846 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.213 -1.076 -5.387 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.108 -0.918 -4.027 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.631 0.908 -2.517 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.232 -1.810 -2.954 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.734 0.016 -1.431 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.041 -1.340 -1.645 1.00 0.00 C ATOM 0 H TRP A 33 14.934 1.863 -5.810 1.00 0.00 H new ATOM 0 HA TRP A 33 16.608 4.179 -6.427 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.626 2.912 -5.939 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.649 3.122 -4.500 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.144 0.263 -7.116 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.375 -1.970 -5.851 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.403 1.947 -2.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.472 -2.848 -3.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.576 0.377 -0.425 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.129 -2.016 -0.807 1.00 0.00 H new ATOM 561 N VAL A 34 17.568 2.989 -8.509 1.00 0.00 N ATOM 562 CA VAL A 34 18.113 2.299 -9.673 1.00 0.00 C ATOM 563 C VAL A 34 19.640 2.352 -9.576 1.00 0.00 C ATOM 564 O VAL A 34 20.201 3.356 -9.121 1.00 0.00 O ATOM 565 CB VAL A 34 17.528 2.887 -10.978 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.780 4.393 -11.147 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.050 2.157 -12.224 1.00 0.00 C ATOM 0 H VAL A 34 17.993 3.902 -8.348 1.00 0.00 H new ATOM 0 HA VAL A 34 17.823 1.249 -9.694 1.00 0.00 H new ATOM 0 HB VAL A 34 16.453 2.735 -10.884 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.341 4.732 -12.085 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.325 4.933 -10.317 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.853 4.583 -11.159 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.613 2.603 -13.117 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.136 2.244 -12.269 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.773 1.104 -12.172 1.00 0.00 H new ATOM 577 N LYS A 35 20.315 1.269 -9.970 1.00 0.00 N ATOM 578 CA LYS A 35 21.773 1.160 -9.953 1.00 0.00 C ATOM 579 C LYS A 35 22.248 0.159 -11.000 1.00 0.00 C ATOM 580 O LYS A 35 21.505 -0.746 -11.379 1.00 0.00 O ATOM 581 CB LYS A 35 22.255 0.772 -8.543 1.00 0.00 C ATOM 582 CG LYS A 35 21.739 -0.571 -8.001 1.00 0.00 C ATOM 583 CD LYS A 35 22.151 -0.739 -6.528 1.00 0.00 C ATOM 584 CE LYS A 35 21.691 -2.087 -5.960 1.00 0.00 C ATOM 585 NZ LYS A 35 22.444 -3.237 -6.520 1.00 0.00 N ATOM 0 H LYS A 35 19.853 0.428 -10.316 1.00 0.00 H new ATOM 0 HA LYS A 35 22.205 2.128 -10.205 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.345 0.745 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.959 1.559 -7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.654 -0.616 -8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 35 22.142 -1.391 -8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.235 -0.659 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.723 0.070 -5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.806 -2.077 -4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.629 -2.219 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.782 -4.003 -6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.948 -2.937 -7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.131 -3.578 -5.817 1.00 0.00 H new ATOM 599 N ASN A 36 23.489 0.304 -11.465 1.00 0.00 N ATOM 600 CA ASN A 36 24.138 -0.716 -12.292 1.00 0.00 C ATOM 601 C ASN A 36 24.448 -1.954 -11.434 1.00 0.00 C ATOM 602 O ASN A 36 24.572 -1.843 -10.211 1.00 0.00 O ATOM 603 CB ASN A 36 25.426 -0.139 -12.906 1.00 0.00 C ATOM 604 CG ASN A 36 26.062 -1.119 -13.887 1.00 0.00 C ATOM 605 OD1 ASN A 36 25.464 -1.458 -14.902 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.255 -1.611 -13.604 1.00 0.00 N ATOM 0 H ASN A 36 24.069 1.123 -11.282 1.00 0.00 H new ATOM 0 HA ASN A 36 23.472 -1.014 -13.102 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.199 0.796 -13.419 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.136 0.096 -12.113 1.00 0.00 H new ATOM 0 HD21 ASN A 36 27.692 -2.283 -14.234 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.739 -1.318 -12.755 1.00 0.00 H new ATOM 668 N ARG A 41 24.299 -5.925 -15.648 1.00 0.00 N ATOM 669 CA ARG A 41 22.857 -5.650 -15.716 1.00 0.00 C ATOM 670 C ARG A 41 22.571 -4.295 -15.073 1.00 0.00 C ATOM 671 O ARG A 41 23.481 -3.652 -14.554 1.00 0.00 O ATOM 672 CB ARG A 41 22.036 -6.765 -15.029 1.00 0.00 C ATOM 673 CG ARG A 41 22.522 -8.215 -15.175 1.00 0.00 C ATOM 674 CD ARG A 41 22.853 -8.685 -16.600 1.00 0.00 C ATOM 675 NE ARG A 41 23.926 -9.688 -16.572 1.00 0.00 N ATOM 676 CZ ARG A 41 24.644 -10.148 -17.600 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.424 -9.749 -18.849 1.00 0.00 N ATOM 678 NH2 ARG A 41 25.597 -11.028 -17.332 1.00 0.00 N ATOM 0 HA ARG A 41 22.555 -5.626 -16.763 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.987 -6.535 -13.965 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.017 -6.714 -15.414 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.412 -8.341 -14.559 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.756 -8.875 -14.767 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.963 -9.108 -17.066 1.00 0.00 H new ATOM 0 HD3 ARG A 41 23.158 -7.834 -17.209 1.00 0.00 H new ATOM 0 HE ARG A 41 24.150 -10.080 -15.657 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.688 -9.071 -19.046 1.00 0.00 H new ATOM 0 HH12 ARG A 41 24.991 -10.121 -19.611 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.758 -11.328 -16.371 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.170 -11.406 -18.087 1.00 0.00 H new ATOM 692 N VAL A 42 21.310 -3.887 -15.039 1.00 0.00 N ATOM 693 CA VAL A 42 20.840 -2.772 -14.230 1.00 0.00 C ATOM 694 C VAL A 42 19.783 -3.356 -13.292 1.00 0.00 C ATOM 695 O VAL A 42 19.066 -4.286 -13.664 1.00 0.00 O ATOM 696 CB VAL A 42 20.330 -1.641 -15.155 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.681 -0.475 -14.395 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.489 -1.068 -15.991 1.00 0.00 C ATOM 0 H VAL A 42 20.571 -4.331 -15.584 1.00 0.00 H new ATOM 0 HA VAL A 42 21.619 -2.306 -13.627 1.00 0.00 H new ATOM 0 HB VAL A 42 19.571 -2.102 -15.787 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.347 0.281 -15.105 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.826 -0.842 -13.827 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.409 -0.035 -13.713 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.114 -0.274 -16.636 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.253 -0.665 -15.326 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.922 -1.859 -16.603 1.00 0.00 H new ATOM 708 N GLU A 43 19.699 -2.825 -12.076 1.00 0.00 N ATOM 709 CA GLU A 43 18.757 -3.224 -11.046 1.00 0.00 C ATOM 710 C GLU A 43 17.929 -1.996 -10.700 1.00 0.00 C ATOM 711 O GLU A 43 18.462 -0.896 -10.545 1.00 0.00 O ATOM 712 CB GLU A 43 19.520 -3.725 -9.810 1.00 0.00 C ATOM 713 CG GLU A 43 18.597 -4.029 -8.616 1.00 0.00 C ATOM 714 CD GLU A 43 19.360 -4.227 -7.317 1.00 0.00 C ATOM 715 OE1 GLU A 43 20.401 -4.924 -7.290 1.00 0.00 O ATOM 716 OE2 GLU A 43 18.901 -3.708 -6.276 1.00 0.00 O ATOM 0 H GLU A 43 20.315 -2.071 -11.772 1.00 0.00 H new ATOM 0 HA GLU A 43 18.114 -4.033 -11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.074 -4.626 -10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.253 -2.975 -9.514 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.887 -3.211 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.016 -4.926 -8.831 1.00 0.00 H new ATOM 723 N ILE A 44 16.631 -2.209 -10.532 1.00 0.00 N ATOM 724 CA ILE A 44 15.648 -1.217 -10.155 1.00 0.00 C ATOM 725 C ILE A 44 14.903 -1.843 -8.972 1.00 0.00 C ATOM 726 O ILE A 44 14.632 -3.046 -8.979 1.00 0.00 O ATOM 727 CB ILE A 44 14.721 -0.968 -11.366 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.494 -0.691 -12.683 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.745 0.187 -11.085 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.647 -1.007 -13.906 1.00 0.00 C ATOM 0 H ILE A 44 16.218 -3.132 -10.664 1.00 0.00 H new ATOM 0 HA ILE A 44 16.069 -0.252 -9.874 1.00 0.00 H new ATOM 0 HB ILE A 44 14.163 -1.893 -11.508 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.801 0.354 -12.712 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.404 -1.291 -12.705 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.104 0.341 -11.953 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.130 -0.059 -10.219 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.308 1.098 -10.883 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.221 -0.801 -14.809 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.362 -2.059 -13.889 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.750 -0.388 -13.897 1.00 0.00 H new ATOM 742 N LEU A 45 14.556 -1.060 -7.957 1.00 0.00 N ATOM 743 CA LEU A 45 13.777 -1.516 -6.813 1.00 0.00 C ATOM 744 C LEU A 45 12.877 -0.349 -6.457 1.00 0.00 C ATOM 745 O LEU A 45 13.387 0.754 -6.272 1.00 0.00 O ATOM 746 CB LEU A 45 14.729 -1.905 -5.666 1.00 0.00 C ATOM 747 CG LEU A 45 14.098 -2.803 -4.582 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.196 -3.262 -3.619 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.994 -2.127 -3.761 1.00 0.00 C ATOM 0 H LEU A 45 14.813 -0.074 -7.906 1.00 0.00 H new ATOM 0 HA LEU A 45 13.179 -2.404 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.593 -2.419 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.099 -0.995 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 45 13.632 -3.633 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.761 -3.898 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.951 -3.823 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.659 -2.392 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.607 -2.830 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.402 -1.254 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.187 -1.815 -4.424 1.00 0.00 H new ATOM 761 N ALA A 46 11.562 -0.553 -6.404 1.00 0.00 N ATOM 762 CA ALA A 46 10.605 0.519 -6.179 1.00 0.00 C ATOM 763 C ALA A 46 9.467 0.024 -5.301 1.00 0.00 C ATOM 764 O ALA A 46 9.100 -1.149 -5.366 1.00 0.00 O ATOM 765 CB ALA A 46 10.048 1.009 -7.522 1.00 0.00 C ATOM 0 H ALA A 46 11.133 -1.471 -6.517 1.00 0.00 H new ATOM 0 HA ALA A 46 11.109 1.345 -5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.332 1.812 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.865 1.380 -8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.551 0.184 -8.033 1.00 0.00 H new ATOM 771 N GLU A 47 8.874 0.943 -4.546 1.00 0.00 N ATOM 772 CA GLU A 47 7.632 0.760 -3.816 1.00 0.00 C ATOM 773 C GLU A 47 6.683 1.914 -4.142 1.00 0.00 C ATOM 774 O GLU A 47 7.122 3.010 -4.514 1.00 0.00 O ATOM 775 CB GLU A 47 7.888 0.644 -2.302 1.00 0.00 C ATOM 776 CG GLU A 47 8.582 1.868 -1.682 1.00 0.00 C ATOM 777 CD GLU A 47 8.552 1.807 -0.149 1.00 0.00 C ATOM 778 OE1 GLU A 47 9.240 0.938 0.430 1.00 0.00 O ATOM 779 OE2 GLU A 47 7.833 2.623 0.476 1.00 0.00 O ATOM 0 H GLU A 47 9.267 1.876 -4.423 1.00 0.00 H new ATOM 0 HA GLU A 47 7.166 -0.175 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.936 0.485 -1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.499 -0.239 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.615 1.916 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.090 2.779 -2.022 1.00 0.00 H new ATOM 786 N GLY A 48 5.381 1.665 -3.997 1.00 0.00 N ATOM 787 CA GLY A 48 4.342 2.651 -4.258 1.00 0.00 C ATOM 788 C GLY A 48 2.985 1.985 -4.470 1.00 0.00 C ATOM 789 O GLY A 48 2.840 0.790 -4.191 1.00 0.00 O ATOM 0 H GLY A 48 5.018 0.762 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.281 3.348 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.605 3.234 -5.140 1.00 0.00 H new ATOM 793 N PRO A 49 1.969 2.741 -4.919 1.00 0.00 N ATOM 794 CA PRO A 49 0.707 2.185 -5.394 1.00 0.00 C ATOM 795 C PRO A 49 0.952 1.143 -6.491 1.00 0.00 C ATOM 796 O PRO A 49 1.791 1.350 -7.370 1.00 0.00 O ATOM 797 CB PRO A 49 -0.099 3.376 -5.929 1.00 0.00 C ATOM 798 CG PRO A 49 0.512 4.585 -5.224 1.00 0.00 C ATOM 799 CD PRO A 49 1.977 4.189 -5.066 1.00 0.00 C ATOM 0 HA PRO A 49 0.169 1.670 -4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.014 3.461 -7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.160 3.275 -5.700 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.402 5.494 -5.815 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.039 4.771 -4.260 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.563 4.493 -5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.423 4.670 -4.196 1.00 0.00 H new ATOM 807 N GLU A 50 0.186 0.051 -6.490 1.00 0.00 N ATOM 808 CA GLU A 50 0.347 -1.014 -7.481 1.00 0.00 C ATOM 809 C GLU A 50 0.054 -0.518 -8.904 1.00 0.00 C ATOM 810 O GLU A 50 0.643 -1.018 -9.860 1.00 0.00 O ATOM 811 CB GLU A 50 -0.497 -2.242 -7.101 1.00 0.00 C ATOM 812 CG GLU A 50 -2.016 -2.003 -7.126 1.00 0.00 C ATOM 813 CD GLU A 50 -2.791 -3.254 -6.676 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.107 -4.119 -7.525 1.00 0.00 O ATOM 815 OE2 GLU A 50 -3.114 -3.376 -5.472 1.00 0.00 O ATOM 0 H GLU A 50 -0.555 -0.119 -5.811 1.00 0.00 H new ATOM 0 HA GLU A 50 1.392 -1.324 -7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.259 -3.057 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.210 -2.570 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.264 -1.166 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.325 -1.725 -8.134 1.00 0.00 H new ATOM 822 N ASN A 51 -0.831 0.471 -9.071 1.00 0.00 N ATOM 823 CA ASN A 51 -1.118 1.064 -10.379 1.00 0.00 C ATOM 824 C ASN A 51 0.099 1.833 -10.901 1.00 0.00 C ATOM 825 O ASN A 51 0.518 1.633 -12.043 1.00 0.00 O ATOM 826 CB ASN A 51 -2.339 1.992 -10.275 1.00 0.00 C ATOM 827 CG ASN A 51 -2.572 2.749 -11.578 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.235 3.924 -11.687 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.129 2.103 -12.588 1.00 0.00 N ATOM 0 H ASN A 51 -1.366 0.881 -8.305 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.342 0.265 -11.086 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.224 1.406 -10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.191 2.702 -9.461 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.285 2.581 -13.475 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.403 1.126 -12.480 1.00 0.00 H new ATOM 836 N ALA A 52 0.695 2.671 -10.046 1.00 0.00 N ATOM 837 CA ALA A 52 1.895 3.432 -10.372 1.00 0.00 C ATOM 838 C ALA A 52 3.040 2.488 -10.728 1.00 0.00 C ATOM 839 O ALA A 52 3.731 2.699 -11.724 1.00 0.00 O ATOM 840 CB ALA A 52 2.268 4.331 -9.186 1.00 0.00 C ATOM 0 H ALA A 52 0.351 2.838 -9.101 1.00 0.00 H new ATOM 0 HA ALA A 52 1.701 4.063 -11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.165 4.900 -9.429 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.448 5.018 -8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.457 3.714 -8.307 1.00 0.00 H new ATOM 846 N LEU A 53 3.212 1.427 -9.938 1.00 0.00 N ATOM 847 CA LEU A 53 4.231 0.418 -10.167 1.00 0.00 C ATOM 848 C LEU A 53 4.013 -0.287 -11.505 1.00 0.00 C ATOM 849 O LEU A 53 4.982 -0.473 -12.236 1.00 0.00 O ATOM 850 CB LEU A 53 4.231 -0.578 -8.996 1.00 0.00 C ATOM 851 CG LEU A 53 4.920 -0.040 -7.728 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.619 -0.975 -6.558 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.444 0.072 -7.874 1.00 0.00 C ATOM 0 H LEU A 53 2.638 1.248 -9.114 1.00 0.00 H new ATOM 0 HA LEU A 53 5.208 0.898 -10.218 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.201 -0.843 -8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.731 -1.495 -9.310 1.00 0.00 H new ATOM 0 HG LEU A 53 4.527 0.962 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.104 -0.599 -5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.542 -1.021 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.996 -1.973 -6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.871 0.457 -6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.863 -0.912 -8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.682 0.751 -8.693 1.00 0.00 H new ATOM 865 N GLN A 54 2.781 -0.651 -11.872 1.00 0.00 N ATOM 866 CA GLN A 54 2.515 -1.295 -13.160 1.00 0.00 C ATOM 867 C GLN A 54 2.871 -0.364 -14.324 1.00 0.00 C ATOM 868 O GLN A 54 3.581 -0.791 -15.241 1.00 0.00 O ATOM 869 CB GLN A 54 1.053 -1.760 -13.234 1.00 0.00 C ATOM 870 CG GLN A 54 0.843 -3.057 -12.438 1.00 0.00 C ATOM 871 CD GLN A 54 -0.641 -3.346 -12.224 1.00 0.00 C ATOM 872 OE1 GLN A 54 -1.271 -4.087 -12.975 1.00 0.00 O ATOM 873 NE2 GLN A 54 -1.227 -2.756 -11.195 1.00 0.00 N ATOM 0 H GLN A 54 1.952 -0.510 -11.294 1.00 0.00 H new ATOM 0 HA GLN A 54 3.151 -2.176 -13.245 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.400 -0.980 -12.843 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.771 -1.919 -14.275 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.304 -3.890 -12.969 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.343 -2.978 -11.472 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.687 -2.144 -10.583 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.218 -2.913 -11.014 1.00 0.00 H new ATOM 882 N SER A 55 2.462 0.910 -14.274 1.00 0.00 N ATOM 883 CA SER A 55 2.873 1.875 -15.293 1.00 0.00 C ATOM 884 C SER A 55 4.400 1.989 -15.363 1.00 0.00 C ATOM 885 O SER A 55 4.967 2.131 -16.447 1.00 0.00 O ATOM 886 CB SER A 55 2.275 3.250 -14.998 1.00 0.00 C ATOM 887 OG SER A 55 0.870 3.193 -14.832 1.00 0.00 O ATOM 0 H SER A 55 1.855 1.290 -13.548 1.00 0.00 H new ATOM 0 HA SER A 55 2.504 1.517 -16.254 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.730 3.657 -14.095 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.516 3.933 -15.813 1.00 0.00 H new ATOM 0 HG SER A 55 0.658 2.741 -13.989 1.00 0.00 H new ATOM 893 N PHE A 56 5.079 1.904 -14.218 1.00 0.00 N ATOM 894 CA PHE A 56 6.525 1.960 -14.174 1.00 0.00 C ATOM 895 C PHE A 56 7.154 0.697 -14.781 1.00 0.00 C ATOM 896 O PHE A 56 8.167 0.840 -15.460 1.00 0.00 O ATOM 897 CB PHE A 56 6.975 2.281 -12.746 1.00 0.00 C ATOM 898 CG PHE A 56 8.461 2.516 -12.551 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.151 3.444 -13.359 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.142 1.869 -11.501 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.513 3.696 -13.128 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.500 2.128 -11.266 1.00 0.00 C ATOM 903 CZ PHE A 56 11.181 3.046 -12.077 1.00 0.00 C ATOM 0 H PHE A 56 4.637 1.795 -13.305 1.00 0.00 H new ATOM 0 HA PHE A 56 6.892 2.770 -14.804 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.440 3.169 -12.409 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.670 1.460 -12.097 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.633 3.960 -14.154 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.614 1.168 -10.872 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.048 4.390 -13.759 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.018 1.623 -10.464 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.225 3.255 -11.893 1.00 0.00 H new ATOM 913 N VAL A 57 6.555 -0.502 -14.677 1.00 0.00 N ATOM 914 CA VAL A 57 7.033 -1.644 -15.468 1.00 0.00 C ATOM 915 C VAL A 57 6.861 -1.331 -16.952 1.00 0.00 C ATOM 916 O VAL A 57 7.785 -1.580 -17.720 1.00 0.00 O ATOM 917 CB VAL A 57 6.353 -2.992 -15.142 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.127 -4.147 -15.804 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.291 -3.296 -13.645 1.00 0.00 C ATOM 0 H VAL A 57 5.760 -0.701 -14.070 1.00 0.00 H new ATOM 0 HA VAL A 57 8.082 -1.775 -15.202 1.00 0.00 H new ATOM 0 HB VAL A 57 5.336 -2.906 -15.523 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.640 -5.093 -15.569 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.140 -4.004 -16.885 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.150 -4.162 -15.428 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.801 -4.257 -13.489 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.302 -3.334 -13.239 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.726 -2.514 -13.138 1.00 0.00 H new ATOM 929 N GLU A 58 5.719 -0.771 -17.372 1.00 0.00 N ATOM 930 CA GLU A 58 5.491 -0.461 -18.783 1.00 0.00 C ATOM 931 C GLU A 58 6.541 0.527 -19.310 1.00 0.00 C ATOM 932 O GLU A 58 6.979 0.401 -20.456 1.00 0.00 O ATOM 933 CB GLU A 58 4.063 0.049 -19.028 1.00 0.00 C ATOM 934 CG GLU A 58 3.017 -1.057 -18.833 1.00 0.00 C ATOM 935 CD GLU A 58 1.601 -0.561 -19.176 1.00 0.00 C ATOM 936 OE1 GLU A 58 0.914 0.009 -18.298 1.00 0.00 O ATOM 937 OE2 GLU A 58 1.150 -0.752 -20.329 1.00 0.00 O ATOM 0 H GLU A 58 4.944 -0.526 -16.756 1.00 0.00 H new ATOM 0 HA GLU A 58 5.600 -1.389 -19.344 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.850 0.873 -18.347 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.988 0.445 -20.041 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.267 -1.911 -19.463 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.042 -1.405 -17.800 1.00 0.00 H new ATOM 944 N ALA A 59 6.990 1.471 -18.476 1.00 0.00 N ATOM 945 CA ALA A 59 8.103 2.347 -18.799 1.00 0.00 C ATOM 946 C ALA A 59 9.421 1.565 -18.875 1.00 0.00 C ATOM 947 O ALA A 59 10.137 1.652 -19.873 1.00 0.00 O ATOM 948 CB ALA A 59 8.198 3.473 -17.764 1.00 0.00 C ATOM 0 H ALA A 59 6.585 1.643 -17.556 1.00 0.00 H new ATOM 0 HA ALA A 59 7.924 2.784 -19.781 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.035 4.126 -18.012 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.273 4.050 -17.768 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.354 3.045 -16.774 1.00 0.00 H new ATOM 954 N VAL A 60 9.752 0.795 -17.837 1.00 0.00 N ATOM 955 CA VAL A 60 11.030 0.107 -17.699 1.00 0.00 C ATOM 956 C VAL A 60 11.223 -0.919 -18.820 1.00 0.00 C ATOM 957 O VAL A 60 12.309 -0.989 -19.398 1.00 0.00 O ATOM 958 CB VAL A 60 11.099 -0.512 -16.284 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.183 -1.584 -16.126 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.359 0.589 -15.240 1.00 0.00 C ATOM 0 H VAL A 60 9.122 0.631 -17.052 1.00 0.00 H new ATOM 0 HA VAL A 60 11.858 0.808 -17.803 1.00 0.00 H new ATOM 0 HB VAL A 60 10.134 -0.995 -16.129 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.168 -1.969 -15.107 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.994 -2.399 -16.825 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.160 -1.147 -16.334 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.406 0.144 -14.246 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.305 1.084 -15.461 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.551 1.320 -15.273 1.00 0.00 H new ATOM 970 N LYS A 61 10.190 -1.696 -19.165 1.00 0.00 N ATOM 971 CA LYS A 61 10.300 -2.774 -20.147 1.00 0.00 C ATOM 972 C LYS A 61 10.605 -2.260 -21.557 1.00 0.00 C ATOM 973 O LYS A 61 11.048 -3.042 -22.396 1.00 0.00 O ATOM 974 CB LYS A 61 9.061 -3.691 -20.092 1.00 0.00 C ATOM 975 CG LYS A 61 7.798 -3.111 -20.751 1.00 0.00 C ATOM 976 CD LYS A 61 6.627 -4.098 -20.650 1.00 0.00 C ATOM 977 CE LYS A 61 5.422 -3.592 -21.457 1.00 0.00 C ATOM 978 NZ LYS A 61 4.279 -4.542 -21.414 1.00 0.00 N ATOM 0 H LYS A 61 9.255 -1.593 -18.770 1.00 0.00 H new ATOM 0 HA LYS A 61 11.163 -3.382 -19.876 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.305 -4.637 -20.576 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.839 -3.915 -19.049 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.530 -2.171 -20.268 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.000 -2.885 -21.798 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.935 -5.075 -21.021 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.343 -4.228 -19.606 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.104 -2.626 -21.065 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.721 -3.433 -22.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.489 -4.160 -21.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.573 -5.457 -21.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.975 -4.675 -20.428 1.00 0.00 H new ATOM 992 N ASN A 62 10.379 -0.970 -21.837 1.00 0.00 N ATOM 993 CA ASN A 62 10.780 -0.355 -23.102 1.00 0.00 C ATOM 994 C ASN A 62 12.308 -0.227 -23.209 1.00 0.00 C ATOM 995 O ASN A 62 12.837 -0.155 -24.319 1.00 0.00 O ATOM 996 CB ASN A 62 10.138 1.037 -23.231 1.00 0.00 C ATOM 997 CG ASN A 62 10.438 1.674 -24.586 1.00 0.00 C ATOM 998 OD1 ASN A 62 9.840 1.318 -25.598 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.345 2.636 -24.634 1.00 0.00 N ATOM 0 H ASN A 62 9.915 -0.328 -21.194 1.00 0.00 H new ATOM 0 HA ASN A 62 10.436 -1.000 -23.910 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.059 0.954 -23.099 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.508 1.683 -22.435 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.556 3.094 -25.521 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.833 2.920 -23.784 1.00 0.00 H new ATOM 1006 N GLY A 63 13.021 -0.167 -22.077 1.00 0.00 N ATOM 1007 CA GLY A 63 14.324 0.486 -22.007 1.00 0.00 C ATOM 1008 C GLY A 63 14.146 1.999 -22.185 1.00 0.00 C ATOM 1009 O GLY A 63 13.022 2.479 -22.362 1.00 0.00 O ATOM 0 H GLY A 63 12.709 -0.568 -21.193 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.798 0.275 -21.048 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.982 0.093 -22.782 1.00 0.00 H new ATOM 1013 N SER A 64 15.230 2.779 -22.173 1.00 0.00 N ATOM 1014 CA SER A 64 15.142 4.103 -22.783 1.00 0.00 C ATOM 1015 C SER A 64 15.000 3.910 -24.300 1.00 0.00 C ATOM 1016 O SER A 64 15.427 2.874 -24.821 1.00 0.00 O ATOM 1017 CB SER A 64 16.362 4.957 -22.430 1.00 0.00 C ATOM 1018 OG SER A 64 17.551 4.423 -22.984 1.00 0.00 O ATOM 0 H SER A 64 16.134 2.533 -21.769 1.00 0.00 H new ATOM 0 HA SER A 64 14.275 4.640 -22.398 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.214 5.973 -22.796 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.461 5.020 -21.346 1.00 0.00 H new ATOM 0 HG SER A 64 18.310 4.993 -22.741 1.00 0.00 H new ATOM 1024 N PRO A 65 14.495 4.905 -25.046 1.00 0.00 N ATOM 1025 CA PRO A 65 14.610 4.954 -26.501 1.00 0.00 C ATOM 1026 C PRO A 65 16.028 4.673 -27.035 1.00 0.00 C ATOM 1027 O PRO A 65 16.166 4.192 -28.162 1.00 0.00 O ATOM 1028 CB PRO A 65 14.131 6.357 -26.886 1.00 0.00 C ATOM 1029 CG PRO A 65 13.119 6.694 -25.792 1.00 0.00 C ATOM 1030 CD PRO A 65 13.701 6.018 -24.551 1.00 0.00 C ATOM 0 HA PRO A 65 14.012 4.162 -26.952 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.954 7.072 -26.907 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.673 6.369 -27.875 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.020 7.771 -25.654 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.127 6.311 -26.030 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.315 6.713 -23.978 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.910 5.670 -23.887 1.00 0.00 H new ATOM 1038 N PHE A 66 17.076 4.958 -26.249 1.00 0.00 N ATOM 1039 CA PHE A 66 18.463 4.697 -26.623 1.00 0.00 C ATOM 1040 C PHE A 66 18.881 3.252 -26.311 1.00 0.00 C ATOM 1041 O PHE A 66 19.782 2.727 -26.967 1.00 0.00 O ATOM 1042 CB PHE A 66 19.384 5.670 -25.871 1.00 0.00 C ATOM 1043 CG PHE A 66 18.999 7.133 -26.010 1.00 0.00 C ATOM 1044 CD1 PHE A 66 19.237 7.813 -27.220 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.377 7.810 -24.941 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.857 9.161 -27.360 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.996 9.156 -25.082 1.00 0.00 C ATOM 1048 CZ PHE A 66 18.237 9.832 -26.292 1.00 0.00 C ATOM 0 H PHE A 66 16.977 5.381 -25.326 1.00 0.00 H new ATOM 0 HA PHE A 66 18.552 4.843 -27.700 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.385 5.406 -24.813 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.404 5.539 -26.233 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.712 7.299 -28.042 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.193 7.293 -24.011 1.00 0.00 H new ATOM 0 HE1 PHE A 66 19.042 9.680 -28.289 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.518 9.671 -24.262 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.946 10.866 -26.400 1.00 0.00 H new ATOM 1058 N SER A 67 18.263 2.616 -25.312 1.00 0.00 N ATOM 1059 CA SER A 67 18.616 1.276 -24.863 1.00 0.00 C ATOM 1060 C SER A 67 18.190 0.210 -25.880 1.00 0.00 C ATOM 1061 O SER A 67 17.383 0.458 -26.782 1.00 0.00 O ATOM 1062 CB SER A 67 17.933 0.990 -23.518 1.00 0.00 C ATOM 1063 OG SER A 67 18.328 1.900 -22.510 1.00 0.00 O ATOM 0 H SER A 67 17.492 3.028 -24.787 1.00 0.00 H new ATOM 0 HA SER A 67 19.700 1.233 -24.756 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.852 1.039 -23.645 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.171 -0.025 -23.201 1.00 0.00 H new ATOM 0 HG SER A 67 17.898 2.767 -22.665 1.00 0.00 H new ATOM 1069 N LYS A 68 18.668 -1.016 -25.661 1.00 0.00 N ATOM 1070 CA LYS A 68 18.115 -2.236 -26.234 1.00 0.00 C ATOM 1071 C LYS A 68 18.138 -3.269 -25.116 1.00 0.00 C ATOM 1072 O LYS A 68 19.107 -4.014 -24.979 1.00 0.00 O ATOM 1073 CB LYS A 68 18.890 -2.677 -27.492 1.00 0.00 C ATOM 1074 CG LYS A 68 18.212 -3.882 -28.172 1.00 0.00 C ATOM 1075 CD LYS A 68 19.045 -4.482 -29.313 1.00 0.00 C ATOM 1076 CE LYS A 68 19.238 -3.494 -30.476 1.00 0.00 C ATOM 1077 NZ LYS A 68 19.991 -4.096 -31.604 1.00 0.00 N ATOM 0 H LYS A 68 19.475 -1.188 -25.061 1.00 0.00 H new ATOM 0 HA LYS A 68 17.095 -2.091 -26.589 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.950 -1.846 -28.195 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.912 -2.938 -27.219 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.023 -4.653 -27.425 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.243 -3.572 -28.563 1.00 0.00 H new ATOM 0 HD2 LYS A 68 20.020 -4.783 -28.929 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.556 -5.383 -29.682 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.264 -3.158 -30.830 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.768 -2.612 -30.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.097 -3.394 -32.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.931 -4.394 -31.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.473 -4.922 -31.965 1.00 0.00 H new ATOM 1091 N VAL A 69 17.110 -3.265 -24.269 1.00 0.00 N ATOM 1092 CA VAL A 69 16.866 -4.375 -23.357 1.00 0.00 C ATOM 1093 C VAL A 69 16.664 -5.634 -24.213 1.00 0.00 C ATOM 1094 O VAL A 69 15.948 -5.596 -25.217 1.00 0.00 O ATOM 1095 CB VAL A 69 15.682 -4.053 -22.410 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.442 -3.468 -23.107 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.246 -5.270 -21.579 1.00 0.00 C ATOM 0 H VAL A 69 16.434 -2.504 -24.197 1.00 0.00 H new ATOM 0 HA VAL A 69 17.712 -4.549 -22.692 1.00 0.00 H new ATOM 0 HB VAL A 69 16.089 -3.281 -21.757 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.666 -3.274 -22.367 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.710 -2.536 -23.604 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.070 -4.179 -23.845 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.414 -4.990 -20.933 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.933 -6.073 -22.246 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.081 -5.611 -20.968 1.00 0.00 H new ATOM 1107 N THR A 70 17.285 -6.741 -23.815 1.00 0.00 N ATOM 1108 CA THR A 70 17.164 -8.038 -24.467 1.00 0.00 C ATOM 1109 C THR A 70 16.592 -9.080 -23.495 1.00 0.00 C ATOM 1110 O THR A 70 16.059 -10.096 -23.947 1.00 0.00 O ATOM 1111 CB THR A 70 18.531 -8.449 -25.044 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.522 -8.416 -24.034 1.00 0.00 O ATOM 1113 CG2 THR A 70 18.975 -7.501 -26.164 1.00 0.00 C ATOM 0 H THR A 70 17.905 -6.759 -23.005 1.00 0.00 H new ATOM 0 HA THR A 70 16.460 -7.973 -25.297 1.00 0.00 H new ATOM 0 HB THR A 70 18.418 -9.458 -25.441 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.385 -8.681 -24.414 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.944 -7.820 -26.548 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.241 -7.520 -26.969 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.057 -6.487 -25.772 1.00 0.00 H new ATOM 1121 N ASP A 71 16.622 -8.826 -22.179 1.00 0.00 N ATOM 1122 CA ASP A 71 15.975 -9.657 -21.166 1.00 0.00 C ATOM 1123 C ASP A 71 15.665 -8.807 -19.931 1.00 0.00 C ATOM 1124 O ASP A 71 16.368 -7.838 -19.641 1.00 0.00 O ATOM 1125 CB ASP A 71 16.880 -10.839 -20.790 1.00 0.00 C ATOM 1126 CG ASP A 71 16.233 -11.736 -19.722 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.069 -12.156 -19.909 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.898 -12.050 -18.710 1.00 0.00 O ATOM 0 H ASP A 71 17.108 -8.020 -21.786 1.00 0.00 H new ATOM 0 HA ASP A 71 15.043 -10.055 -21.568 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.094 -11.430 -21.680 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.834 -10.463 -20.420 1.00 0.00 H new ATOM 1133 N ILE A 72 14.610 -9.161 -19.202 1.00 0.00 N ATOM 1134 CA ILE A 72 14.133 -8.474 -18.010 1.00 0.00 C ATOM 1135 C ILE A 72 13.562 -9.531 -17.052 1.00 0.00 C ATOM 1136 O ILE A 72 12.977 -10.526 -17.496 1.00 0.00 O ATOM 1137 CB ILE A 72 13.129 -7.357 -18.410 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.560 -6.641 -17.165 1.00 0.00 C ATOM 1139 CG2 ILE A 72 11.993 -7.856 -19.331 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.820 -5.334 -17.477 1.00 0.00 C ATOM 0 H ILE A 72 14.039 -9.973 -19.439 1.00 0.00 H new ATOM 0 HA ILE A 72 14.937 -7.960 -17.483 1.00 0.00 H new ATOM 0 HB ILE A 72 13.700 -6.635 -18.993 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.878 -7.318 -16.650 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.378 -6.427 -16.477 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.329 -7.026 -19.572 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.420 -8.257 -20.250 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.428 -8.637 -18.822 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.452 -4.894 -16.550 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.502 -4.637 -17.963 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.979 -5.541 -18.139 1.00 0.00 H new ATOM 1152 N SER A 73 13.720 -9.307 -15.747 1.00 0.00 N ATOM 1153 CA SER A 73 13.352 -10.222 -14.671 1.00 0.00 C ATOM 1154 C SER A 73 12.696 -9.404 -13.559 1.00 0.00 C ATOM 1155 O SER A 73 13.106 -8.266 -13.331 1.00 0.00 O ATOM 1156 CB SER A 73 14.621 -10.913 -14.147 1.00 0.00 C ATOM 1157 OG SER A 73 15.270 -11.645 -15.177 1.00 0.00 O ATOM 0 H SER A 73 14.128 -8.440 -15.397 1.00 0.00 H new ATOM 0 HA SER A 73 12.658 -10.984 -15.025 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.304 -10.166 -13.742 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.361 -11.584 -13.329 1.00 0.00 H new ATOM 0 HG SER A 73 16.075 -12.073 -14.817 1.00 0.00 H new ATOM 1163 N VAL A 74 11.698 -9.960 -12.864 1.00 0.00 N ATOM 1164 CA VAL A 74 10.889 -9.247 -11.875 1.00 0.00 C ATOM 1165 C VAL A 74 10.689 -10.160 -10.658 1.00 0.00 C ATOM 1166 O VAL A 74 10.503 -11.371 -10.808 1.00 0.00 O ATOM 1167 CB VAL A 74 9.528 -8.839 -12.500 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.646 -8.038 -11.523 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.695 -8.026 -13.797 1.00 0.00 C ATOM 0 H VAL A 74 11.426 -10.937 -12.977 1.00 0.00 H new ATOM 0 HA VAL A 74 11.395 -8.335 -11.557 1.00 0.00 H new ATOM 0 HB VAL A 74 9.032 -9.781 -12.733 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.706 -7.778 -12.011 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.441 -8.642 -10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.166 -7.127 -11.227 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.713 -7.766 -14.193 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.254 -7.114 -13.586 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.237 -8.621 -14.532 1.00 0.00 H new ATOM 1179 N THR A 75 10.675 -9.563 -9.466 1.00 0.00 N ATOM 1180 CA THR A 75 10.321 -10.189 -8.201 1.00 0.00 C ATOM 1181 C THR A 75 9.411 -9.187 -7.486 1.00 0.00 C ATOM 1182 O THR A 75 9.850 -8.079 -7.177 1.00 0.00 O ATOM 1183 CB THR A 75 11.606 -10.484 -7.400 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.507 -11.277 -8.154 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.321 -11.218 -6.086 1.00 0.00 C ATOM 0 H THR A 75 10.924 -8.580 -9.356 1.00 0.00 H new ATOM 0 HA THR A 75 9.807 -11.142 -8.326 1.00 0.00 H new ATOM 0 HB THR A 75 12.046 -9.512 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.314 -11.448 -7.625 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.258 -11.401 -5.561 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.669 -10.607 -5.462 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.832 -12.169 -6.299 1.00 0.00 H new ATOM 1193 N GLU A 76 8.136 -9.526 -7.276 1.00 0.00 N ATOM 1194 CA GLU A 76 7.238 -8.728 -6.446 1.00 0.00 C ATOM 1195 C GLU A 76 7.554 -8.994 -4.970 1.00 0.00 C ATOM 1196 O GLU A 76 7.960 -10.102 -4.599 1.00 0.00 O ATOM 1197 CB GLU A 76 5.767 -9.007 -6.800 1.00 0.00 C ATOM 1198 CG GLU A 76 5.306 -10.453 -6.555 1.00 0.00 C ATOM 1199 CD GLU A 76 3.849 -10.663 -7.004 1.00 0.00 C ATOM 1200 OE1 GLU A 76 3.613 -11.037 -8.176 1.00 0.00 O ATOM 1201 OE2 GLU A 76 2.920 -10.479 -6.184 1.00 0.00 O ATOM 0 H GLU A 76 7.702 -10.358 -7.676 1.00 0.00 H new ATOM 0 HA GLU A 76 7.397 -7.667 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.135 -8.336 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.609 -8.764 -7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.957 -11.140 -7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.400 -10.691 -5.496 1.00 0.00 H new ATOM 1208 N SER A 77 7.354 -7.975 -4.138 1.00 0.00 N ATOM 1209 CA SER A 77 7.804 -7.929 -2.751 1.00 0.00 C ATOM 1210 C SER A 77 6.867 -7.036 -1.925 1.00 0.00 C ATOM 1211 O SER A 77 6.063 -6.279 -2.473 1.00 0.00 O ATOM 1212 CB SER A 77 9.231 -7.349 -2.711 1.00 0.00 C ATOM 1213 OG SER A 77 10.136 -8.058 -3.544 1.00 0.00 O ATOM 0 H SER A 77 6.857 -7.130 -4.421 1.00 0.00 H new ATOM 0 HA SER A 77 7.796 -8.935 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.202 -6.304 -3.020 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.598 -7.368 -1.685 1.00 0.00 H new ATOM 0 HG SER A 77 11.025 -7.650 -3.484 1.00 0.00 H new ATOM 1219 N ARG A 78 7.009 -7.069 -0.597 1.00 0.00 N ATOM 1220 CA ARG A 78 6.446 -6.063 0.310 1.00 0.00 C ATOM 1221 C ARG A 78 7.444 -5.783 1.445 1.00 0.00 C ATOM 1222 O ARG A 78 7.054 -5.467 2.570 1.00 0.00 O ATOM 1223 CB ARG A 78 5.059 -6.521 0.804 1.00 0.00 C ATOM 1224 CG ARG A 78 4.196 -5.348 1.318 1.00 0.00 C ATOM 1225 CD ARG A 78 3.494 -5.661 2.645 1.00 0.00 C ATOM 1226 NE ARG A 78 4.469 -5.768 3.745 1.00 0.00 N ATOM 1227 CZ ARG A 78 4.194 -6.012 5.031 1.00 0.00 C ATOM 1228 NH1 ARG A 78 2.939 -6.183 5.438 1.00 0.00 N ATOM 1229 NH2 ARG A 78 5.191 -6.084 5.907 1.00 0.00 N ATOM 0 H ARG A 78 7.525 -7.805 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 78 6.288 -5.118 -0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.535 -7.024 -0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.185 -7.252 1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.826 -4.468 1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.447 -5.098 0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.770 -4.878 2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.938 -6.594 2.555 1.00 0.00 H new ATOM 0 HE ARG A 78 5.452 -5.644 3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.173 -6.129 4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.743 -6.369 6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.154 -5.954 5.596 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.993 -6.270 6.890 1.00 0.00 H new ATOM 1243 N SER A 79 8.736 -5.939 1.171 1.00 0.00 N ATOM 1244 CA SER A 79 9.837 -5.787 2.113 1.00 0.00 C ATOM 1245 C SER A 79 10.240 -4.307 2.120 1.00 0.00 C ATOM 1246 O SER A 79 11.336 -3.942 1.683 1.00 0.00 O ATOM 1247 CB SER A 79 10.979 -6.724 1.690 1.00 0.00 C ATOM 1248 OG SER A 79 10.502 -8.056 1.537 1.00 0.00 O ATOM 0 H SER A 79 9.059 -6.188 0.236 1.00 0.00 H new ATOM 0 HA SER A 79 9.560 -6.065 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.413 -6.377 0.752 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.773 -6.699 2.437 1.00 0.00 H new ATOM 0 HG SER A 79 11.241 -8.639 1.266 1.00 0.00 H new ATOM 1254 N LEU A 80 9.279 -3.450 2.484 1.00 0.00 N ATOM 1255 CA LEU A 80 9.304 -2.014 2.217 1.00 0.00 C ATOM 1256 C LEU A 80 10.603 -1.374 2.714 1.00 0.00 C ATOM 1257 O LEU A 80 11.125 -1.726 3.776 1.00 0.00 O ATOM 1258 CB LEU A 80 8.066 -1.319 2.813 1.00 0.00 C ATOM 1259 CG LEU A 80 6.708 -1.840 2.296 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.580 -0.921 2.776 1.00 0.00 C ATOM 1261 CD2 LEU A 80 6.641 -1.975 0.766 1.00 0.00 C ATOM 0 H LEU A 80 8.442 -3.748 2.985 1.00 0.00 H new ATOM 0 HA LEU A 80 9.271 -1.877 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.092 -1.432 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.132 -0.252 2.602 1.00 0.00 H new ATOM 0 HG LEU A 80 6.590 -2.843 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.625 -1.295 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.566 -0.901 3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.746 0.087 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.658 -2.346 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.811 -1.001 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.406 -2.674 0.429 1.00 0.00 H new ATOM 1273 N GLU A 81 11.104 -0.420 1.934 1.00 0.00 N ATOM 1274 CA GLU A 81 12.393 0.238 2.112 1.00 0.00 C ATOM 1275 C GLU A 81 12.205 1.693 2.568 1.00 0.00 C ATOM 1276 O GLU A 81 13.088 2.246 3.227 1.00 0.00 O ATOM 1277 CB GLU A 81 13.264 0.043 0.854 1.00 0.00 C ATOM 1278 CG GLU A 81 12.714 0.594 -0.476 1.00 0.00 C ATOM 1279 CD GLU A 81 13.018 2.086 -0.664 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.142 2.407 -1.112 1.00 0.00 O ATOM 1281 OE2 GLU A 81 12.150 2.930 -0.355 1.00 0.00 O ATOM 0 H GLU A 81 10.597 -0.069 1.122 1.00 0.00 H new ATOM 0 HA GLU A 81 12.952 -0.229 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.232 0.509 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.443 -1.025 0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 81 13.145 0.032 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.636 0.439 -0.512 1.00 0.00 H new ATOM 1288 N GLY A 82 11.016 2.265 2.352 1.00 0.00 N ATOM 1289 CA GLY A 82 10.482 3.369 3.133 1.00 0.00 C ATOM 1290 C GLY A 82 11.143 4.721 2.871 1.00 0.00 C ATOM 1291 O GLY A 82 10.975 5.631 3.688 1.00 0.00 O ATOM 0 H GLY A 82 10.388 1.960 1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.415 3.457 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.585 3.130 4.191 1.00 0.00 H new ATOM 1295 N HIS A 83 11.890 4.883 1.774 1.00 0.00 N ATOM 1296 CA HIS A 83 12.349 6.201 1.352 1.00 0.00 C ATOM 1297 C HIS A 83 11.154 7.040 0.877 1.00 0.00 C ATOM 1298 O HIS A 83 10.083 6.508 0.572 1.00 0.00 O ATOM 1299 CB HIS A 83 13.416 6.068 0.257 1.00 0.00 C ATOM 1300 CG HIS A 83 14.736 5.543 0.767 1.00 0.00 C ATOM 1301 ND1 HIS A 83 15.348 4.373 0.388 1.00 0.00 N ATOM 1302 CD2 HIS A 83 15.570 6.156 1.666 1.00 0.00 C ATOM 1303 CE1 HIS A 83 16.518 4.278 1.037 1.00 0.00 C ATOM 1304 NE2 HIS A 83 16.707 5.351 1.830 1.00 0.00 N ATOM 0 H HIS A 83 12.186 4.118 1.167 1.00 0.00 H new ATOM 0 HA HIS A 83 12.808 6.713 2.198 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.045 5.402 -0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 83 13.575 7.042 -0.205 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.976 3.692 -0.274 1.00 0.00 H new ATOM 0 HD2 HIS A 83 15.384 7.097 2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 83 17.212 3.456 0.938 1.00 0.00 H new ATOM 1312 N HIS A 84 11.350 8.359 0.779 1.00 0.00 N ATOM 1313 CA HIS A 84 10.310 9.307 0.377 1.00 0.00 C ATOM 1314 C HIS A 84 10.485 9.791 -1.070 1.00 0.00 C ATOM 1315 O HIS A 84 9.663 10.574 -1.550 1.00 0.00 O ATOM 1316 CB HIS A 84 10.271 10.475 1.378 1.00 0.00 C ATOM 1317 CG HIS A 84 11.549 11.281 1.456 1.00 0.00 C ATOM 1318 ND1 HIS A 84 12.552 11.136 2.392 1.00 0.00 N ATOM 1319 CD2 HIS A 84 11.913 12.315 0.634 1.00 0.00 C ATOM 1320 CE1 HIS A 84 13.494 12.060 2.137 1.00 0.00 C ATOM 1321 NE2 HIS A 84 13.155 12.800 1.065 1.00 0.00 N ATOM 0 H HIS A 84 12.247 8.802 0.979 1.00 0.00 H new ATOM 0 HA HIS A 84 9.349 8.794 0.397 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.453 11.142 1.106 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.045 10.080 2.368 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.341 12.691 -0.202 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.398 12.191 2.713 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.694 13.560 0.650 1.00 0.00 H new ATOM 1329 N ARG A 85 11.539 9.358 -1.777 1.00 0.00 N ATOM 1330 CA ARG A 85 11.806 9.727 -3.167 1.00 0.00 C ATOM 1331 C ARG A 85 12.600 8.621 -3.850 1.00 0.00 C ATOM 1332 O ARG A 85 13.178 7.771 -3.169 1.00 0.00 O ATOM 1333 CB ARG A 85 12.505 11.105 -3.246 1.00 0.00 C ATOM 1334 CG ARG A 85 14.009 11.205 -2.912 1.00 0.00 C ATOM 1335 CD ARG A 85 14.457 10.692 -1.535 1.00 0.00 C ATOM 1336 NE ARG A 85 15.072 9.351 -1.607 1.00 0.00 N ATOM 1337 CZ ARG A 85 15.989 8.869 -0.760 1.00 0.00 C ATOM 1338 NH1 ARG A 85 16.274 9.513 0.372 1.00 0.00 N ATOM 1339 NH2 ARG A 85 16.617 7.738 -1.048 1.00 0.00 N ATOM 0 H ARG A 85 12.241 8.729 -1.387 1.00 0.00 H new ATOM 0 HA ARG A 85 10.864 9.832 -3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.367 11.486 -4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.974 11.781 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.562 10.655 -3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.305 12.251 -2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.171 11.394 -1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.598 10.659 -0.865 1.00 0.00 H new ATOM 0 HE ARG A 85 14.772 8.740 -2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.791 10.382 0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.975 9.136 1.010 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.400 7.240 -1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.317 7.366 -0.406 1.00 0.00 H new ATOM 1353 N PHE A 86 12.630 8.620 -5.179 1.00 0.00 N ATOM 1354 CA PHE A 86 13.411 7.667 -5.949 1.00 0.00 C ATOM 1355 C PHE A 86 14.878 8.119 -5.973 1.00 0.00 C ATOM 1356 O PHE A 86 15.167 9.297 -5.742 1.00 0.00 O ATOM 1357 CB PHE A 86 12.806 7.533 -7.355 1.00 0.00 C ATOM 1358 CG PHE A 86 13.095 6.190 -7.988 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.512 5.018 -7.474 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.940 6.108 -9.100 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.835 3.770 -8.028 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.264 4.864 -9.663 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.719 3.692 -9.115 1.00 0.00 C ATOM 0 H PHE A 86 12.110 9.285 -5.752 1.00 0.00 H new ATOM 0 HA PHE A 86 13.383 6.679 -5.490 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.727 7.679 -7.298 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.201 8.324 -7.993 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.815 5.079 -6.652 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.347 7.011 -9.530 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.403 2.869 -7.618 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.928 4.809 -10.513 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.980 2.730 -9.530 1.00 0.00 H new ATOM 1373 N SER A 87 15.797 7.184 -6.221 1.00 0.00 N ATOM 1374 CA SER A 87 17.233 7.391 -6.016 1.00 0.00 C ATOM 1375 C SER A 87 18.043 6.808 -7.181 1.00 0.00 C ATOM 1376 O SER A 87 17.634 5.805 -7.775 1.00 0.00 O ATOM 1377 CB SER A 87 17.650 6.729 -4.687 1.00 0.00 C ATOM 1378 OG SER A 87 16.613 6.749 -3.711 1.00 0.00 O ATOM 0 H SER A 87 15.565 6.255 -6.572 1.00 0.00 H new ATOM 0 HA SER A 87 17.437 8.461 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.944 5.697 -4.877 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.526 7.242 -4.290 1.00 0.00 H new ATOM 0 HG SER A 87 15.924 6.095 -3.952 1.00 0.00 H new ATOM 1384 N ILE A 88 19.200 7.394 -7.503 1.00 0.00 N ATOM 1385 CA ILE A 88 20.235 6.743 -8.312 1.00 0.00 C ATOM 1386 C ILE A 88 21.319 6.352 -7.304 1.00 0.00 C ATOM 1387 O ILE A 88 21.667 7.158 -6.436 1.00 0.00 O ATOM 1388 CB ILE A 88 20.806 7.659 -9.433 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.705 8.305 -10.302 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.730 6.839 -10.354 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.192 9.230 -11.426 1.00 0.00 C ATOM 0 H ILE A 88 19.446 8.339 -7.208 1.00 0.00 H new ATOM 0 HA ILE A 88 19.829 5.887 -8.851 1.00 0.00 H new ATOM 0 HB ILE A 88 21.352 8.458 -8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.107 7.509 -10.746 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.043 8.875 -9.650 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.128 7.484 -11.138 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.553 6.427 -9.770 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.163 6.025 -10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.334 9.626 -11.969 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.762 10.054 -10.997 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.827 8.668 -12.111 1.00 0.00 H new ATOM 1403 N VAL A 89 21.851 5.136 -7.411 1.00 0.00 N ATOM 1404 CA VAL A 89 22.882 4.617 -6.519 1.00 0.00 C ATOM 1405 C VAL A 89 23.990 4.030 -7.402 1.00 0.00 C ATOM 1406 O VAL A 89 23.725 3.512 -8.489 1.00 0.00 O ATOM 1407 CB VAL A 89 22.249 3.607 -5.527 1.00 0.00 C ATOM 1408 CG1 VAL A 89 23.276 3.047 -4.530 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.095 4.235 -4.725 1.00 0.00 C ATOM 0 H VAL A 89 21.571 4.473 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 89 23.329 5.390 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 89 21.867 2.795 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 89 22.784 2.345 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 89 24.069 2.534 -5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.704 3.865 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 89 20.680 3.493 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.469 5.085 -4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.317 4.573 -5.410 1.00 0.00 H new