USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 938 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 70 MET CE :methyl -147:sc= -0.128 (180deg=-1.08) USER MOD Set 1.2: A 82 ASN : amide:sc= -0.155 K(o=-0.28,f=-1.1) USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= 0.283 F(o=-5.4!,f=-3.1) USER MOD Set 2.2: A 99 GLN :FLIP amide:sc= -3.34! C(o=-5.4!,f=-3.1!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.131 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -14.9! C(o=-15!,f=-22!) USER MOD Single : A 18 HIS : no HD1:sc= -7.42! C(o=-7.4!,f=-8.8!) USER MOD Single : A 19 GLN : amide:sc= -0.858 K(o=-0.86,f=-7!) USER MOD Single : A 23 TYR OH : rot 50:sc= -0.148 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 30 THR OG1 : rot 71:sc= 0.684 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.85! C(o=-2.9!,f=-2.6!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.797 F(o=-2!,f=-0.8) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -5.96! C(o=-6!,f=-6.9!) USER MOD Single : A 64 THR OG1 : rot 140:sc= -0.065 USER MOD Single : A 65 SER OG : rot -66:sc= 0.479 USER MOD Single : A 66 GLN : amide:sc= -6.26! C(o=-6.3!,f=-8.7!) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.434 F(o=-0.97,f=-0.43) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -129:sc= -2.05 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.1!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.0718 K(o=-0.072,f=-3.6!) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -12.9! C(o=-16!,f=-13!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -3.07 F(o=-5.1!,f=-3.1) USER MOD Single : A 94 MET CE :methyl -119:sc= -5.22! (180deg=-10.3!) USER MOD Single : A 104 LYS NZ :NH3+ -117:sc= -4.5! (180deg=-7.42!) USER MOD Single : A 111 SER OG : rot -2:sc= 0.493! USER MOD Single : A 115 HIS : no HD1:sc= -0.388 K(o=-0.39,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.248 11.762 -29.022 1.00 0.00 N ATOM 2 CA GLY A 1 -20.301 12.750 -27.958 1.00 0.00 C ATOM 3 C GLY A 1 -19.068 12.654 -27.058 1.00 0.00 C ATOM 4 O GLY A 1 -18.200 11.809 -27.276 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.294 12.242 -29.944 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.359 11.226 -28.954 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.053 11.110 -28.931 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.365 13.750 -28.388 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.202 12.601 -27.363 1.00 0.00 H new ATOM 8 N SER A 2 -19.029 13.531 -26.066 1.00 0.00 N ATOM 9 CA SER A 2 -17.915 13.555 -25.133 1.00 0.00 C ATOM 10 C SER A 2 -17.610 12.138 -24.645 1.00 0.00 C ATOM 11 O SER A 2 -18.350 11.202 -24.944 1.00 0.00 O ATOM 12 CB SER A 2 -18.212 14.474 -23.945 1.00 0.00 C ATOM 13 OG SER A 2 -17.935 15.840 -24.244 1.00 0.00 O ATOM 0 H SER A 2 -19.750 14.230 -25.888 1.00 0.00 H new ATOM 0 HA SER A 2 -17.042 13.948 -25.653 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.259 14.370 -23.659 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.615 14.162 -23.088 1.00 0.00 H new ATOM 0 HG SER A 2 -18.139 16.394 -23.462 1.00 0.00 H new ATOM 19 N MET A 3 -16.520 12.024 -23.901 1.00 0.00 N ATOM 20 CA MET A 3 -16.109 10.737 -23.367 1.00 0.00 C ATOM 21 C MET A 3 -16.172 10.730 -21.838 1.00 0.00 C ATOM 22 O MET A 3 -15.562 11.575 -21.184 1.00 0.00 O ATOM 23 CB MET A 3 -14.679 10.430 -23.820 1.00 0.00 C ATOM 24 CG MET A 3 -13.679 11.375 -23.151 1.00 0.00 C ATOM 25 SD MET A 3 -12.085 11.236 -23.945 1.00 0.00 S ATOM 26 CE MET A 3 -11.531 12.928 -23.826 1.00 0.00 C ATOM 0 H MET A 3 -15.908 12.802 -23.655 1.00 0.00 H new ATOM 0 HA MET A 3 -16.792 9.975 -23.743 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.430 9.398 -23.575 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.608 10.527 -24.903 1.00 0.00 H new ATOM 0 HG2 MET A 3 -14.038 12.402 -23.214 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.590 11.133 -22.092 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.543 13.020 -24.278 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.232 13.578 -24.350 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.479 13.221 -22.777 1.00 0.00 H new ATOM 36 N ALA A 4 -16.917 9.769 -21.313 1.00 0.00 N ATOM 37 CA ALA A 4 -17.068 9.640 -19.874 1.00 0.00 C ATOM 38 C ALA A 4 -17.534 8.222 -19.538 1.00 0.00 C ATOM 39 O ALA A 4 -18.661 7.844 -19.854 1.00 0.00 O ATOM 40 CB ALA A 4 -18.039 10.708 -19.365 1.00 0.00 C ATOM 0 H ALA A 4 -17.423 9.072 -21.859 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.113 9.800 -19.373 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -18.153 10.612 -18.285 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -17.648 11.698 -19.602 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -19.009 10.577 -19.845 1.00 0.00 H new ATOM 46 N GLY A 5 -16.643 7.476 -18.903 1.00 0.00 N ATOM 47 CA GLY A 5 -16.948 6.107 -18.522 1.00 0.00 C ATOM 48 C GLY A 5 -16.631 5.866 -17.045 1.00 0.00 C ATOM 49 O GLY A 5 -17.539 5.715 -16.228 1.00 0.00 O ATOM 0 H GLY A 5 -15.709 7.793 -18.642 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -18.001 5.899 -18.710 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -16.372 5.417 -19.139 1.00 0.00 H new ATOM 53 N GLU A 6 -15.341 5.838 -16.747 1.00 0.00 N ATOM 54 CA GLU A 6 -14.893 5.619 -15.382 1.00 0.00 C ATOM 55 C GLU A 6 -13.370 5.749 -15.295 1.00 0.00 C ATOM 56 O GLU A 6 -12.666 5.501 -16.273 1.00 0.00 O ATOM 57 CB GLU A 6 -15.357 4.256 -14.865 1.00 0.00 C ATOM 58 CG GLU A 6 -15.316 4.206 -13.337 1.00 0.00 C ATOM 59 CD GLU A 6 -16.603 3.603 -12.773 1.00 0.00 C ATOM 60 OE1 GLU A 6 -17.693 3.858 -13.305 1.00 0.00 O ATOM 61 OE2 GLU A 6 -16.443 2.842 -11.743 1.00 0.00 O ATOM 0 H GLU A 6 -14.591 5.963 -17.427 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.340 6.384 -14.747 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.371 4.058 -15.212 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.721 3.472 -15.275 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.460 3.614 -13.012 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.177 5.212 -12.940 1.00 0.00 H new ATOM 69 N ASP A 7 -12.908 6.138 -14.116 1.00 0.00 N ATOM 70 CA ASP A 7 -11.483 6.304 -13.889 1.00 0.00 C ATOM 71 C ASP A 7 -11.044 5.392 -12.741 1.00 0.00 C ATOM 72 O ASP A 7 -11.820 5.125 -11.824 1.00 0.00 O ATOM 73 CB ASP A 7 -11.150 7.746 -13.501 1.00 0.00 C ATOM 74 CG ASP A 7 -11.969 8.815 -14.226 1.00 0.00 C ATOM 75 OD1 ASP A 7 -11.955 8.901 -15.464 1.00 0.00 O ATOM 76 OD2 ASP A 7 -12.652 9.594 -13.458 1.00 0.00 O ATOM 0 H ASP A 7 -13.495 6.343 -13.308 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.963 6.051 -14.813 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.299 7.861 -12.427 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.093 7.924 -13.697 1.00 0.00 H new ATOM 82 N VAL A 8 -9.802 4.939 -12.829 1.00 0.00 N ATOM 83 CA VAL A 8 -9.251 4.062 -11.809 1.00 0.00 C ATOM 84 C VAL A 8 -9.368 4.742 -10.443 1.00 0.00 C ATOM 85 O VAL A 8 -9.718 5.918 -10.358 1.00 0.00 O ATOM 86 CB VAL A 8 -7.813 3.682 -12.167 1.00 0.00 C ATOM 87 CG1 VAL A 8 -7.305 2.553 -11.269 1.00 0.00 C ATOM 88 CG2 VAL A 8 -7.697 3.304 -13.644 1.00 0.00 C ATOM 0 H VAL A 8 -9.161 5.163 -13.591 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.815 3.131 -11.759 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.183 4.555 -11.995 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.281 2.302 -11.544 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.332 2.876 -10.228 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.940 1.676 -11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.665 3.038 -13.872 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.345 2.453 -13.854 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.998 4.151 -14.261 1.00 0.00 H new ATOM 98 N GLY A 9 -9.068 3.971 -9.407 1.00 0.00 N ATOM 99 CA GLY A 9 -9.136 4.483 -8.049 1.00 0.00 C ATOM 100 C GLY A 9 -7.749 4.884 -7.544 1.00 0.00 C ATOM 101 O GLY A 9 -7.532 6.033 -7.162 1.00 0.00 O ATOM 0 H GLY A 9 -8.777 2.996 -9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.803 5.345 -8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.561 3.725 -7.392 1.00 0.00 H new ATOM 105 N ALA A 10 -6.846 3.915 -7.558 1.00 0.00 N ATOM 106 CA ALA A 10 -5.486 4.152 -7.106 1.00 0.00 C ATOM 107 C ALA A 10 -4.569 3.062 -7.665 1.00 0.00 C ATOM 108 O ALA A 10 -4.949 1.893 -7.719 1.00 0.00 O ATOM 109 CB ALA A 10 -5.459 4.207 -5.576 1.00 0.00 C ATOM 0 H ALA A 10 -7.030 2.963 -7.876 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.121 5.111 -7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.439 4.385 -5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.103 5.015 -5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.816 3.260 -5.172 1.00 0.00 H new ATOM 115 N PRO A 11 -3.348 3.495 -8.080 1.00 0.00 N ATOM 116 CA PRO A 11 -2.375 2.571 -8.635 1.00 0.00 C ATOM 117 C PRO A 11 -1.738 1.720 -7.534 1.00 0.00 C ATOM 118 O PRO A 11 -1.976 1.951 -6.349 1.00 0.00 O ATOM 119 CB PRO A 11 -1.370 3.448 -9.364 1.00 0.00 C ATOM 120 CG PRO A 11 -1.555 4.848 -8.804 1.00 0.00 C ATOM 121 CD PRO A 11 -2.864 4.872 -8.031 1.00 0.00 C ATOM 0 HA PRO A 11 -2.822 1.849 -9.318 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.352 3.094 -9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.545 3.431 -10.440 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.722 5.112 -8.152 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.574 5.582 -9.610 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.711 5.202 -7.003 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.579 5.559 -8.483 1.00 0.00 H new ATOM 129 N PRO A 12 -0.919 0.727 -7.975 1.00 0.00 N ATOM 130 CA PRO A 12 -0.246 -0.158 -7.041 1.00 0.00 C ATOM 131 C PRO A 12 0.924 0.551 -6.357 1.00 0.00 C ATOM 132 O PRO A 12 2.035 0.574 -6.887 1.00 0.00 O ATOM 133 CB PRO A 12 0.188 -1.353 -7.875 1.00 0.00 C ATOM 134 CG PRO A 12 0.157 -0.886 -9.321 1.00 0.00 C ATOM 135 CD PRO A 12 -0.613 0.425 -9.370 1.00 0.00 C ATOM 0 HA PRO A 12 -0.892 -0.474 -6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.188 -1.684 -7.593 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.482 -2.199 -7.723 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.170 -0.749 -9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.321 -1.634 -9.954 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.018 1.217 -9.825 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.522 0.328 -9.963 1.00 0.00 H new ATOM 143 N ASP A 13 0.636 1.112 -5.193 1.00 0.00 N ATOM 144 CA ASP A 13 1.651 1.821 -4.432 1.00 0.00 C ATOM 145 C ASP A 13 2.951 1.013 -4.447 1.00 0.00 C ATOM 146 O ASP A 13 4.039 1.578 -4.340 1.00 0.00 O ATOM 147 CB ASP A 13 1.223 1.998 -2.974 1.00 0.00 C ATOM 148 CG ASP A 13 2.357 2.335 -2.004 1.00 0.00 C ATOM 149 OD1 ASP A 13 2.857 3.470 -1.976 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.732 1.363 -1.242 1.00 0.00 O ATOM 0 H ASP A 13 -0.286 1.090 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 13 1.791 2.801 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.475 2.789 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.739 1.081 -2.639 1.00 0.00 H new ATOM 156 N HIS A 14 2.796 -0.296 -4.583 1.00 0.00 N ATOM 157 CA HIS A 14 3.943 -1.187 -4.615 1.00 0.00 C ATOM 158 C HIS A 14 3.602 -2.433 -5.434 1.00 0.00 C ATOM 159 O HIS A 14 2.462 -2.896 -5.422 1.00 0.00 O ATOM 160 CB HIS A 14 4.412 -1.518 -3.197 1.00 0.00 C ATOM 161 CG HIS A 14 3.797 -2.774 -2.624 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.229 -2.822 -1.364 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.668 -4.024 -3.154 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.780 -4.052 -1.154 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.054 -4.795 -2.265 1.00 0.00 N ATOM 0 H HIS A 14 1.893 -0.761 -4.672 1.00 0.00 H new ATOM 0 HA HIS A 14 4.781 -0.691 -5.106 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.497 -1.625 -3.200 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.177 -0.679 -2.542 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.008 -4.334 -4.131 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.285 -4.404 -0.261 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.825 -5.781 -2.392 1.00 0.00 H new ATOM 173 N LEU A 15 4.612 -2.942 -6.125 1.00 0.00 N ATOM 174 CA LEU A 15 4.433 -4.126 -6.948 1.00 0.00 C ATOM 175 C LEU A 15 5.491 -5.166 -6.575 1.00 0.00 C ATOM 176 O LEU A 15 6.615 -4.814 -6.218 1.00 0.00 O ATOM 177 CB LEU A 15 4.436 -3.752 -8.432 1.00 0.00 C ATOM 178 CG LEU A 15 3.185 -3.038 -8.946 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.445 -2.386 -10.305 1.00 0.00 C ATOM 180 CD2 LEU A 15 1.987 -3.989 -8.986 1.00 0.00 C ATOM 0 H LEU A 15 5.556 -2.556 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 15 3.460 -4.578 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.299 -3.114 -8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.576 -4.662 -9.015 1.00 0.00 H new ATOM 0 HG LEU A 15 2.937 -2.239 -8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.539 -1.885 -10.648 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.249 -1.657 -10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.732 -3.151 -11.027 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.111 -3.455 -9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.208 -4.825 -9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.787 -4.364 -7.982 1.00 0.00 H new ATOM 192 N TRP A 16 5.094 -6.427 -6.668 1.00 0.00 N ATOM 193 CA TRP A 16 5.995 -7.520 -6.343 1.00 0.00 C ATOM 194 C TRP A 16 5.947 -8.528 -7.494 1.00 0.00 C ATOM 195 O TRP A 16 4.935 -9.196 -7.698 1.00 0.00 O ATOM 196 CB TRP A 16 5.640 -8.140 -4.991 1.00 0.00 C ATOM 197 CG TRP A 16 5.943 -7.236 -3.794 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.021 -6.466 -3.594 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.111 -7.041 -2.632 1.00 0.00 C ATOM 200 NE1 TRP A 16 6.944 -5.790 -2.394 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.745 -6.151 -1.790 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.862 -7.598 -2.303 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.207 -5.738 -0.565 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.338 -7.176 -1.075 1.00 0.00 C ATOM 205 CH2 TRP A 16 3.965 -6.281 -0.216 1.00 0.00 C ATOM 0 H TRP A 16 4.161 -6.716 -6.963 1.00 0.00 H new ATOM 0 HA TRP A 16 7.018 -7.159 -6.237 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.579 -8.391 -4.985 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.189 -9.075 -4.876 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.847 -6.385 -4.285 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.639 -5.144 -2.019 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.348 -8.296 -2.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.723 -5.038 0.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.380 -7.574 -0.774 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.496 -6.006 0.717 1.00 0.00 H new ATOM 216 N VAL A 17 7.055 -8.607 -8.216 1.00 0.00 N ATOM 217 CA VAL A 17 7.153 -9.521 -9.340 1.00 0.00 C ATOM 218 C VAL A 17 7.217 -10.958 -8.819 1.00 0.00 C ATOM 219 O VAL A 17 8.109 -11.304 -8.046 1.00 0.00 O ATOM 220 CB VAL A 17 8.351 -9.150 -10.216 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.663 -9.302 -9.443 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.371 -9.981 -11.500 1.00 0.00 C ATOM 0 H VAL A 17 7.893 -8.052 -8.044 1.00 0.00 H new ATOM 0 HA VAL A 17 6.269 -9.442 -9.973 1.00 0.00 H new ATOM 0 HB VAL A 17 8.248 -8.102 -10.498 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.499 -9.032 -10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.650 -8.646 -8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.775 -10.336 -9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.233 -9.697 -12.104 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.438 -11.039 -11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.457 -9.800 -12.065 1.00 0.00 H new ATOM 232 N HIS A 18 6.258 -11.758 -9.263 1.00 0.00 N ATOM 233 CA HIS A 18 6.194 -13.150 -8.850 1.00 0.00 C ATOM 234 C HIS A 18 6.404 -14.056 -10.065 1.00 0.00 C ATOM 235 O HIS A 18 6.966 -15.143 -9.943 1.00 0.00 O ATOM 236 CB HIS A 18 4.883 -13.438 -8.116 1.00 0.00 C ATOM 237 CG HIS A 18 4.583 -14.909 -7.948 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.258 -15.474 -6.727 1.00 0.00 N ATOM 239 CD2 HIS A 18 4.562 -15.924 -8.859 1.00 0.00 C ATOM 240 CE1 HIS A 18 4.054 -16.770 -6.907 1.00 0.00 C ATOM 241 NE2 HIS A 18 4.244 -17.047 -8.228 1.00 0.00 N ATOM 0 H HIS A 18 5.519 -11.469 -9.904 1.00 0.00 H new ATOM 0 HA HIS A 18 6.995 -13.360 -8.141 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.919 -12.970 -7.132 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.063 -12.970 -8.661 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.769 -15.830 -9.915 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.784 -17.482 -6.141 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.156 -17.967 -8.660 1.00 0.00 H new ATOM 249 N GLN A 19 5.941 -13.575 -11.210 1.00 0.00 N ATOM 250 CA GLN A 19 6.072 -14.328 -12.446 1.00 0.00 C ATOM 251 C GLN A 19 6.563 -13.417 -13.572 1.00 0.00 C ATOM 252 O GLN A 19 6.425 -12.197 -13.494 1.00 0.00 O ATOM 253 CB GLN A 19 4.749 -14.999 -12.820 1.00 0.00 C ATOM 254 CG GLN A 19 4.662 -16.408 -12.229 1.00 0.00 C ATOM 255 CD GLN A 19 4.537 -17.459 -13.334 1.00 0.00 C ATOM 256 OE1 GLN A 19 3.473 -17.995 -13.598 1.00 0.00 O ATOM 257 NE2 GLN A 19 5.679 -17.723 -13.962 1.00 0.00 N ATOM 0 H GLN A 19 5.475 -12.673 -11.308 1.00 0.00 H new ATOM 0 HA GLN A 19 6.811 -15.115 -12.294 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.916 -14.397 -12.457 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.657 -15.050 -13.905 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.549 -16.610 -11.629 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.803 -16.474 -11.561 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.534 -17.238 -13.691 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.700 -18.411 -14.715 1.00 0.00 H new ATOM 266 N GLU A 20 7.126 -14.045 -14.594 1.00 0.00 N ATOM 267 CA GLU A 20 7.639 -13.306 -15.736 1.00 0.00 C ATOM 268 C GLU A 20 6.556 -12.386 -16.303 1.00 0.00 C ATOM 269 O GLU A 20 5.583 -12.857 -16.889 1.00 0.00 O ATOM 270 CB GLU A 20 8.169 -14.257 -16.811 1.00 0.00 C ATOM 271 CG GLU A 20 8.367 -13.526 -18.141 1.00 0.00 C ATOM 272 CD GLU A 20 7.390 -14.041 -19.200 1.00 0.00 C ATOM 273 OE1 GLU A 20 7.765 -14.884 -20.029 1.00 0.00 O ATOM 274 OE2 GLU A 20 6.206 -13.536 -19.141 1.00 0.00 O ATOM 0 H GLU A 20 7.238 -15.057 -14.655 1.00 0.00 H new ATOM 0 HA GLU A 20 8.473 -12.689 -15.400 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.115 -14.689 -16.485 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.471 -15.083 -16.947 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.222 -12.455 -17.997 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.391 -13.665 -18.488 1.00 0.00 H new ATOM 282 N GLY A 21 6.762 -11.092 -16.107 1.00 0.00 N ATOM 283 CA GLY A 21 5.816 -10.102 -16.593 1.00 0.00 C ATOM 284 C GLY A 21 4.575 -10.043 -15.699 1.00 0.00 C ATOM 285 O GLY A 21 3.514 -9.596 -16.131 1.00 0.00 O ATOM 0 H GLY A 21 7.570 -10.706 -15.618 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.293 -9.122 -16.624 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.522 -10.346 -17.614 1.00 0.00 H new ATOM 289 N ILE A 22 4.751 -10.503 -14.468 1.00 0.00 N ATOM 290 CA ILE A 22 3.660 -10.508 -13.509 1.00 0.00 C ATOM 291 C ILE A 22 4.117 -9.824 -12.219 1.00 0.00 C ATOM 292 O ILE A 22 5.268 -9.966 -11.811 1.00 0.00 O ATOM 293 CB ILE A 22 3.138 -11.931 -13.298 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.174 -12.333 -14.417 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.505 -12.085 -11.914 1.00 0.00 C ATOM 296 CD1 ILE A 22 2.924 -12.985 -15.579 1.00 0.00 C ATOM 0 H ILE A 22 5.632 -10.874 -14.114 1.00 0.00 H new ATOM 0 HA ILE A 22 2.815 -9.936 -13.892 1.00 0.00 H new ATOM 0 HB ILE A 22 3.986 -12.615 -13.341 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.427 -13.025 -14.027 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.638 -11.453 -14.773 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.143 -13.106 -11.791 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.249 -11.869 -11.147 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.671 -11.390 -11.816 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.216 -13.261 -16.360 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.653 -12.282 -15.982 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.439 -13.878 -15.224 1.00 0.00 H new ATOM 308 N TYR A 23 3.191 -9.095 -11.614 1.00 0.00 N ATOM 309 CA TYR A 23 3.484 -8.388 -10.378 1.00 0.00 C ATOM 310 C TYR A 23 2.299 -8.459 -9.411 1.00 0.00 C ATOM 311 O TYR A 23 1.154 -8.603 -9.837 1.00 0.00 O ATOM 312 CB TYR A 23 3.719 -6.929 -10.772 1.00 0.00 C ATOM 313 CG TYR A 23 5.179 -6.597 -11.087 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.050 -6.278 -10.065 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.625 -6.617 -12.393 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.424 -5.965 -10.361 1.00 0.00 C ATOM 317 CE2 TYR A 23 6.999 -6.305 -12.689 1.00 0.00 C ATOM 318 CZ TYR A 23 7.831 -5.994 -11.659 1.00 0.00 C ATOM 319 OH TYR A 23 9.128 -5.699 -11.939 1.00 0.00 O ATOM 0 H TYR A 23 2.237 -8.978 -11.956 1.00 0.00 H new ATOM 0 HA TYR A 23 4.346 -8.830 -9.878 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.108 -6.696 -11.644 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.377 -6.285 -9.962 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.701 -6.263 -9.043 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.943 -6.867 -13.193 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.116 -5.713 -9.571 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.361 -6.318 -13.706 1.00 0.00 H new ATOM 0 HH TYR A 23 9.716 -6.229 -11.361 1.00 0.00 H new ATOM 329 N ARG A 24 2.616 -8.354 -8.129 1.00 0.00 N ATOM 330 CA ARG A 24 1.593 -8.404 -7.100 1.00 0.00 C ATOM 331 C ARG A 24 1.396 -7.019 -6.479 1.00 0.00 C ATOM 332 O ARG A 24 2.366 -6.341 -6.146 1.00 0.00 O ATOM 333 CB ARG A 24 1.966 -9.400 -6.000 1.00 0.00 C ATOM 334 CG ARG A 24 0.810 -10.361 -5.715 1.00 0.00 C ATOM 335 CD ARG A 24 1.304 -11.807 -5.648 1.00 0.00 C ATOM 336 NE ARG A 24 2.280 -11.959 -4.545 1.00 0.00 N ATOM 337 CZ ARG A 24 1.943 -12.247 -3.271 1.00 0.00 C ATOM 338 NH1 ARG A 24 0.649 -12.419 -2.926 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.898 -12.359 -2.366 1.00 0.00 N ATOM 0 H ARG A 24 3.567 -8.235 -7.780 1.00 0.00 H new ATOM 0 HA ARG A 24 0.666 -8.730 -7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.848 -9.966 -6.300 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.228 -8.861 -5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.332 -10.092 -4.773 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.054 -10.267 -6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.461 -12.481 -5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.767 -12.086 -6.595 1.00 0.00 H new ATOM 0 HE ARG A 24 3.269 -11.838 -4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.083 -12.331 -3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.403 -12.637 -1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.873 -12.228 -2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.660 -12.576 -1.398 1.00 0.00 H new ATOM 352 N ASP A 25 0.133 -6.640 -6.343 1.00 0.00 N ATOM 353 CA ASP A 25 -0.203 -5.350 -5.767 1.00 0.00 C ATOM 354 C ASP A 25 -0.296 -5.484 -4.245 1.00 0.00 C ATOM 355 O ASP A 25 -0.076 -6.563 -3.699 1.00 0.00 O ATOM 356 CB ASP A 25 -1.556 -4.853 -6.281 1.00 0.00 C ATOM 357 CG ASP A 25 -1.779 -3.344 -6.161 1.00 0.00 C ATOM 358 OD1 ASP A 25 -0.978 -2.628 -5.542 1.00 0.00 O ATOM 359 OD2 ASP A 25 -2.842 -2.902 -6.744 1.00 0.00 O ATOM 0 H ASP A 25 -0.669 -7.204 -6.622 1.00 0.00 H new ATOM 0 HA ASP A 25 0.574 -4.641 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.657 -5.138 -7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.346 -5.367 -5.734 1.00 0.00 H new ATOM 365 N GLU A 26 -0.621 -4.371 -3.604 1.00 0.00 N ATOM 366 CA GLU A 26 -0.745 -4.351 -2.157 1.00 0.00 C ATOM 367 C GLU A 26 -2.185 -4.663 -1.744 1.00 0.00 C ATOM 368 O GLU A 26 -2.595 -4.352 -0.627 1.00 0.00 O ATOM 369 CB GLU A 26 -0.290 -3.005 -1.587 1.00 0.00 C ATOM 370 CG GLU A 26 -1.360 -1.932 -1.793 1.00 0.00 C ATOM 371 CD GLU A 26 -0.807 -0.752 -2.593 1.00 0.00 C ATOM 372 OE1 GLU A 26 0.078 -0.939 -3.442 1.00 0.00 O ATOM 373 OE2 GLU A 26 -1.327 0.394 -2.307 1.00 0.00 O ATOM 0 H GLU A 26 -0.802 -3.477 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.094 -5.122 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.076 -3.110 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.637 -2.696 -2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.215 -2.361 -2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.721 -1.583 -0.826 1.00 0.00 H new ATOM 381 N TYR A 27 -2.912 -5.274 -2.667 1.00 0.00 N ATOM 382 CA TYR A 27 -4.298 -5.632 -2.411 1.00 0.00 C ATOM 383 C TYR A 27 -4.672 -6.925 -3.139 1.00 0.00 C ATOM 384 O TYR A 27 -5.742 -7.016 -3.739 1.00 0.00 O ATOM 385 CB TYR A 27 -5.140 -4.483 -2.971 1.00 0.00 C ATOM 386 CG TYR A 27 -5.406 -3.360 -1.968 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.903 -3.658 -0.715 1.00 0.00 C ATOM 388 CD2 TYR A 27 -5.150 -2.049 -2.315 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.154 -2.600 0.230 1.00 0.00 C ATOM 390 CE2 TYR A 27 -5.401 -0.991 -1.371 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.891 -1.319 -0.145 1.00 0.00 C ATOM 392 OH TYR A 27 -6.127 -0.321 0.748 1.00 0.00 O ATOM 0 H TYR A 27 -2.569 -5.530 -3.593 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.464 -5.791 -1.346 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.634 -4.066 -3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.094 -4.881 -3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.104 -4.684 -0.443 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.761 -1.816 -3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.542 -2.819 1.214 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.205 0.039 -1.630 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.893 0.541 0.345 1.00 0.00 H new ATOM 402 N GLN A 28 -3.771 -7.893 -3.060 1.00 0.00 N ATOM 403 CA GLN A 28 -3.994 -9.176 -3.702 1.00 0.00 C ATOM 404 C GLN A 28 -4.449 -8.975 -5.150 1.00 0.00 C ATOM 405 O GLN A 28 -5.375 -9.639 -5.610 1.00 0.00 O ATOM 406 CB GLN A 28 -5.009 -10.012 -2.920 1.00 0.00 C ATOM 407 CG GLN A 28 -6.394 -9.364 -2.952 1.00 0.00 C ATOM 408 CD GLN A 28 -7.476 -10.361 -2.534 1.00 0.00 C ATOM 409 OE1 GLN A 28 -7.254 -11.261 -1.742 1.00 0.00 O ATOM 410 NE2 GLN A 28 -8.657 -10.151 -3.110 1.00 0.00 N ATOM 0 H GLN A 28 -2.885 -7.814 -2.561 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.051 -9.723 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.063 -11.015 -3.344 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.678 -10.120 -1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.412 -8.502 -2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.603 -8.994 -3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.775 -9.378 -3.765 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.445 -10.763 -2.897 1.00 0.00 H new ATOM 419 N ARG A 29 -3.776 -8.055 -5.825 1.00 0.00 N ATOM 420 CA ARG A 29 -4.100 -7.757 -7.210 1.00 0.00 C ATOM 421 C ARG A 29 -2.881 -7.993 -8.103 1.00 0.00 C ATOM 422 O ARG A 29 -1.912 -7.237 -8.050 1.00 0.00 O ATOM 423 CB ARG A 29 -4.565 -6.308 -7.367 1.00 0.00 C ATOM 424 CG ARG A 29 -6.052 -6.170 -7.033 1.00 0.00 C ATOM 425 CD ARG A 29 -6.525 -4.728 -7.221 1.00 0.00 C ATOM 426 NE ARG A 29 -7.771 -4.499 -6.455 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.580 -3.432 -6.627 1.00 0.00 C ATOM 428 NH1 ARG A 29 -8.281 -2.486 -7.541 1.00 0.00 N ATOM 429 NH2 ARG A 29 -9.669 -3.329 -5.887 1.00 0.00 N ATOM 0 H ARG A 29 -3.008 -7.506 -5.439 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.910 -8.422 -7.511 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.980 -5.662 -6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.386 -5.973 -8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.635 -6.834 -7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.228 -6.483 -6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.751 -4.037 -6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.697 -4.528 -8.279 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.035 -5.191 -5.753 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.438 -2.574 -8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.898 -1.683 -7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.888 -4.049 -5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.291 -2.529 -6.004 1.00 0.00 H new ATOM 442 N THR A 30 -2.967 -9.046 -8.902 1.00 0.00 N ATOM 443 CA THR A 30 -1.883 -9.392 -9.805 1.00 0.00 C ATOM 444 C THR A 30 -1.834 -8.412 -10.980 1.00 0.00 C ATOM 445 O THR A 30 -2.873 -7.960 -11.459 1.00 0.00 O ATOM 446 CB THR A 30 -2.072 -10.847 -10.237 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.480 -10.974 -10.424 1.00 0.00 O ATOM 448 CG2 THR A 30 -1.756 -11.837 -9.113 1.00 0.00 C ATOM 0 H THR A 30 -3.772 -9.672 -8.943 1.00 0.00 H new ATOM 0 HA THR A 30 -0.915 -9.308 -9.310 1.00 0.00 H new ATOM 0 HB THR A 30 -1.434 -11.056 -11.096 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.750 -10.475 -11.223 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.906 -12.855 -9.472 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.720 -11.712 -8.799 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.417 -11.650 -8.267 1.00 0.00 H new ATOM 456 N TRP A 31 -0.617 -8.113 -11.409 1.00 0.00 N ATOM 457 CA TRP A 31 -0.419 -7.197 -12.519 1.00 0.00 C ATOM 458 C TRP A 31 0.374 -7.931 -13.602 1.00 0.00 C ATOM 459 O TRP A 31 1.061 -8.911 -13.317 1.00 0.00 O ATOM 460 CB TRP A 31 0.260 -5.908 -12.052 1.00 0.00 C ATOM 461 CG TRP A 31 -0.658 -4.971 -11.265 1.00 0.00 C ATOM 462 CD1 TRP A 31 -1.079 -5.099 -9.999 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.256 -3.749 -11.746 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.900 -4.054 -9.630 1.00 0.00 N ATOM 465 CE2 TRP A 31 -2.012 -3.206 -10.726 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.163 -3.123 -13.001 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.731 -2.012 -10.858 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.887 -1.931 -13.116 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.653 -1.371 -12.099 1.00 0.00 C ATOM 0 H TRP A 31 0.242 -8.489 -11.008 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.376 -6.887 -12.938 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.118 -6.166 -11.431 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.645 -5.376 -12.922 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.809 -5.918 -9.349 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.343 -3.927 -8.720 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.579 -3.530 -13.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.315 -1.607 -10.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.848 -1.409 -14.061 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.185 -0.446 -12.267 1.00 0.00 H new ATOM 480 N VAL A 32 0.252 -7.430 -14.823 1.00 0.00 N ATOM 481 CA VAL A 32 0.947 -8.026 -15.950 1.00 0.00 C ATOM 482 C VAL A 32 1.889 -6.990 -16.569 1.00 0.00 C ATOM 483 O VAL A 32 1.459 -6.149 -17.357 1.00 0.00 O ATOM 484 CB VAL A 32 -0.063 -8.588 -16.951 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.473 -8.499 -18.381 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.444 -10.027 -16.596 1.00 0.00 C ATOM 0 H VAL A 32 -0.319 -6.617 -15.056 1.00 0.00 H new ATOM 0 HA VAL A 32 1.558 -8.866 -15.620 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.965 -7.979 -16.894 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.265 -8.906 -19.072 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.670 -7.457 -18.632 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.397 -9.071 -18.459 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.163 -10.403 -17.323 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.448 -10.654 -16.610 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.888 -10.051 -15.601 1.00 0.00 H new ATOM 496 N ALA A 33 3.154 -7.086 -16.189 1.00 0.00 N ATOM 497 CA ALA A 33 4.159 -6.168 -16.696 1.00 0.00 C ATOM 498 C ALA A 33 4.714 -6.704 -18.017 1.00 0.00 C ATOM 499 O ALA A 33 5.401 -7.724 -18.038 1.00 0.00 O ATOM 500 CB ALA A 33 5.251 -5.972 -15.643 1.00 0.00 C ATOM 0 H ALA A 33 3.506 -7.786 -15.536 1.00 0.00 H new ATOM 0 HA ALA A 33 3.719 -5.191 -16.895 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.005 -5.283 -16.024 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.811 -5.562 -14.734 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.717 -6.932 -15.419 1.00 0.00 H new ATOM 506 N VAL A 34 4.394 -5.993 -19.089 1.00 0.00 N ATOM 507 CA VAL A 34 4.852 -6.386 -20.411 1.00 0.00 C ATOM 508 C VAL A 34 6.012 -5.481 -20.834 1.00 0.00 C ATOM 509 O VAL A 34 5.797 -4.342 -21.244 1.00 0.00 O ATOM 510 CB VAL A 34 3.684 -6.361 -21.398 1.00 0.00 C ATOM 511 CG1 VAL A 34 4.170 -6.596 -22.830 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.614 -7.383 -21.008 1.00 0.00 C ATOM 0 H VAL A 34 3.823 -5.148 -19.069 1.00 0.00 H new ATOM 0 HA VAL A 34 5.226 -7.410 -20.397 1.00 0.00 H new ATOM 0 HB VAL A 34 3.232 -5.370 -21.356 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.319 -6.573 -23.511 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.878 -5.815 -23.107 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.660 -7.568 -22.893 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.795 -7.344 -21.726 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.049 -8.383 -21.007 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.235 -7.151 -20.013 1.00 0.00 H new ATOM 522 N VAL A 35 7.216 -6.024 -20.720 1.00 0.00 N ATOM 523 CA VAL A 35 8.409 -5.281 -21.086 1.00 0.00 C ATOM 524 C VAL A 35 8.392 -5.007 -22.592 1.00 0.00 C ATOM 525 O VAL A 35 8.305 -5.935 -23.394 1.00 0.00 O ATOM 526 CB VAL A 35 9.658 -6.038 -20.631 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.777 -7.382 -21.351 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.917 -5.192 -20.834 1.00 0.00 C ATOM 0 H VAL A 35 7.390 -6.970 -20.379 1.00 0.00 H new ATOM 0 HA VAL A 35 8.428 -4.316 -20.579 1.00 0.00 H new ATOM 0 HB VAL A 35 9.559 -6.238 -19.564 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.673 -7.900 -21.009 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.900 -7.991 -21.132 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.843 -7.214 -22.426 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.790 -5.754 -20.502 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.024 -4.946 -21.890 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.835 -4.273 -20.254 1.00 0.00 H new ATOM 538 N GLU A 36 8.476 -3.729 -22.929 1.00 0.00 N ATOM 539 CA GLU A 36 8.472 -3.322 -24.324 1.00 0.00 C ATOM 540 C GLU A 36 9.178 -1.973 -24.486 1.00 0.00 C ATOM 541 O GLU A 36 8.621 -0.931 -24.144 1.00 0.00 O ATOM 542 CB GLU A 36 7.046 -3.262 -24.874 1.00 0.00 C ATOM 543 CG GLU A 36 6.947 -3.980 -26.221 1.00 0.00 C ATOM 544 CD GLU A 36 5.928 -3.294 -27.134 1.00 0.00 C ATOM 545 OE1 GLU A 36 5.601 -2.117 -26.924 1.00 0.00 O ATOM 546 OE2 GLU A 36 5.472 -4.029 -28.091 1.00 0.00 O ATOM 0 H GLU A 36 8.547 -2.962 -22.261 1.00 0.00 H new ATOM 0 HA GLU A 36 9.018 -4.068 -24.901 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.359 -3.720 -24.163 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.740 -2.222 -24.989 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.924 -3.991 -26.704 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.658 -5.019 -26.063 1.00 0.00 H new ATOM 554 N GLU A 37 10.395 -2.038 -25.007 1.00 0.00 N ATOM 555 CA GLU A 37 11.183 -0.835 -25.218 1.00 0.00 C ATOM 556 C GLU A 37 10.455 0.117 -26.169 1.00 0.00 C ATOM 557 O GLU A 37 9.584 -0.304 -26.929 1.00 0.00 O ATOM 558 CB GLU A 37 12.577 -1.179 -25.746 1.00 0.00 C ATOM 559 CG GLU A 37 13.354 -2.023 -24.735 1.00 0.00 C ATOM 560 CD GLU A 37 14.847 -2.041 -25.067 1.00 0.00 C ATOM 561 OE1 GLU A 37 15.554 -1.058 -24.798 1.00 0.00 O ATOM 562 OE2 GLU A 37 15.270 -3.125 -25.624 1.00 0.00 O ATOM 0 H GLU A 37 10.854 -2.904 -25.289 1.00 0.00 H new ATOM 0 HA GLU A 37 11.308 -0.333 -24.259 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.489 -1.722 -26.687 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.126 -0.261 -25.957 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.206 -1.623 -23.732 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.966 -3.042 -24.732 1.00 0.00 H new ATOM 570 N GLU A 38 10.839 1.383 -26.094 1.00 0.00 N ATOM 571 CA GLU A 38 10.235 2.399 -26.940 1.00 0.00 C ATOM 572 C GLU A 38 11.071 3.679 -26.911 1.00 0.00 C ATOM 573 O GLU A 38 11.416 4.177 -25.841 1.00 0.00 O ATOM 574 CB GLU A 38 8.791 2.677 -26.515 1.00 0.00 C ATOM 575 CG GLU A 38 8.721 3.088 -25.043 1.00 0.00 C ATOM 576 CD GLU A 38 8.063 4.460 -24.886 1.00 0.00 C ATOM 577 OE1 GLU A 38 7.954 5.210 -25.868 1.00 0.00 O ATOM 578 OE2 GLU A 38 7.657 4.737 -23.694 1.00 0.00 O ATOM 0 H GLU A 38 11.560 1.728 -25.461 1.00 0.00 H new ATOM 0 HA GLU A 38 10.213 2.026 -27.964 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.371 3.467 -27.137 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.183 1.787 -26.677 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.157 2.344 -24.481 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.726 3.112 -24.621 1.00 0.00 H new ATOM 586 N THR A 39 11.371 4.178 -28.102 1.00 0.00 N ATOM 587 CA THR A 39 12.160 5.392 -28.227 1.00 0.00 C ATOM 588 C THR A 39 13.584 5.158 -27.717 1.00 0.00 C ATOM 589 O THR A 39 14.271 6.101 -27.330 1.00 0.00 O ATOM 590 CB THR A 39 11.426 6.511 -27.487 1.00 0.00 C ATOM 591 OG1 THR A 39 10.161 6.586 -28.137 1.00 0.00 O ATOM 592 CG2 THR A 39 12.053 7.886 -27.733 1.00 0.00 C ATOM 0 H THR A 39 11.082 3.764 -28.988 1.00 0.00 H new ATOM 0 HA THR A 39 12.267 5.688 -29.270 1.00 0.00 H new ATOM 0 HB THR A 39 11.425 6.298 -26.418 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.619 7.287 -27.718 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.494 8.644 -27.185 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.088 7.880 -27.391 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.024 8.114 -28.799 1.00 0.00 H new ATOM 600 N SER A 40 13.983 3.894 -27.733 1.00 0.00 N ATOM 601 CA SER A 40 15.312 3.524 -27.277 1.00 0.00 C ATOM 602 C SER A 40 15.387 3.619 -25.751 1.00 0.00 C ATOM 603 O SER A 40 16.384 4.086 -25.203 1.00 0.00 O ATOM 604 CB SER A 40 16.381 4.411 -27.917 1.00 0.00 C ATOM 605 OG SER A 40 17.483 3.651 -28.407 1.00 0.00 O ATOM 0 H SER A 40 13.409 3.114 -28.054 1.00 0.00 H new ATOM 0 HA SER A 40 15.503 2.495 -27.581 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.939 4.978 -28.736 1.00 0.00 H new ATOM 0 HB3 SER A 40 16.737 5.135 -27.184 1.00 0.00 H new ATOM 0 HG SER A 40 18.143 4.254 -28.810 1.00 0.00 H new ATOM 611 N PHE A 41 14.319 3.167 -25.110 1.00 0.00 N ATOM 612 CA PHE A 41 14.251 3.196 -23.658 1.00 0.00 C ATOM 613 C PHE A 41 13.673 1.889 -23.111 1.00 0.00 C ATOM 614 O PHE A 41 13.480 0.931 -23.857 1.00 0.00 O ATOM 615 CB PHE A 41 13.322 4.350 -23.277 1.00 0.00 C ATOM 616 CG PHE A 41 13.958 5.734 -23.415 1.00 0.00 C ATOM 617 CD1 PHE A 41 15.118 6.018 -22.762 1.00 0.00 C ATOM 618 CD2 PHE A 41 13.367 6.680 -24.191 1.00 0.00 C ATOM 619 CE1 PHE A 41 15.709 7.302 -22.890 1.00 0.00 C ATOM 620 CE2 PHE A 41 13.958 7.965 -24.319 1.00 0.00 C ATOM 621 CZ PHE A 41 15.116 8.249 -23.666 1.00 0.00 C ATOM 0 H PHE A 41 13.495 2.779 -25.568 1.00 0.00 H new ATOM 0 HA PHE A 41 15.250 3.323 -23.241 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.431 4.307 -23.903 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.994 4.214 -22.246 1.00 0.00 H new ATOM 0 HD1 PHE A 41 15.589 5.266 -22.146 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.447 6.455 -24.711 1.00 0.00 H new ATOM 0 HE1 PHE A 41 16.629 7.527 -22.371 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.487 8.717 -24.935 1.00 0.00 H new ATOM 0 HZ PHE A 41 15.565 9.226 -23.763 1.00 0.00 H new ATOM 631 N LEU A 42 13.414 1.893 -21.812 1.00 0.00 N ATOM 632 CA LEU A 42 12.864 0.719 -21.155 1.00 0.00 C ATOM 633 C LEU A 42 11.466 1.047 -20.624 1.00 0.00 C ATOM 634 O LEU A 42 11.290 2.011 -19.882 1.00 0.00 O ATOM 635 CB LEU A 42 13.824 0.206 -20.082 1.00 0.00 C ATOM 636 CG LEU A 42 15.091 -0.486 -20.590 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.745 -1.732 -21.408 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.970 0.489 -21.376 1.00 0.00 C ATOM 0 H LEU A 42 13.575 2.690 -21.196 1.00 0.00 H new ATOM 0 HA LEU A 42 12.753 -0.099 -21.866 1.00 0.00 H new ATOM 0 HB2 LEU A 42 14.120 1.047 -19.455 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.284 -0.493 -19.443 1.00 0.00 H new ATOM 0 HG LEU A 42 15.669 -0.817 -19.727 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.663 -2.205 -21.757 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.190 -2.433 -20.785 1.00 0.00 H new ATOM 0 HD13 LEU A 42 14.135 -1.447 -22.265 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.864 -0.028 -21.726 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.414 0.872 -22.232 1.00 0.00 H new ATOM 0 HD23 LEU A 42 16.260 1.319 -20.731 1.00 0.00 H new ATOM 650 N ARG A 43 10.508 0.224 -21.026 1.00 0.00 N ATOM 651 CA ARG A 43 9.132 0.413 -20.600 1.00 0.00 C ATOM 652 C ARG A 43 8.492 -0.934 -20.259 1.00 0.00 C ATOM 653 O ARG A 43 8.711 -1.923 -20.956 1.00 0.00 O ATOM 654 CB ARG A 43 8.308 1.101 -21.690 1.00 0.00 C ATOM 655 CG ARG A 43 6.810 0.905 -21.450 1.00 0.00 C ATOM 656 CD ARG A 43 6.002 2.054 -22.057 1.00 0.00 C ATOM 657 NE ARG A 43 5.825 1.835 -23.511 1.00 0.00 N ATOM 658 CZ ARG A 43 4.969 2.537 -24.283 1.00 0.00 C ATOM 659 NH1 ARG A 43 4.204 3.511 -23.746 1.00 0.00 N ATOM 660 NH2 ARG A 43 4.892 2.258 -25.571 1.00 0.00 N ATOM 0 H ARG A 43 10.658 -0.575 -21.642 1.00 0.00 H new ATOM 0 HA ARG A 43 9.143 1.048 -19.714 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.541 2.166 -21.709 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.580 0.698 -22.665 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.489 -0.041 -21.887 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.615 0.844 -20.379 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.029 2.123 -21.570 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.513 3.001 -21.883 1.00 0.00 H new ATOM 0 HE ARG A 43 6.385 1.108 -23.957 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.270 3.721 -22.750 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.560 4.037 -24.336 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.474 1.521 -25.969 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.250 2.779 -26.168 1.00 0.00 H new ATOM 673 N ALA A 44 7.713 -0.929 -19.187 1.00 0.00 N ATOM 674 CA ALA A 44 7.040 -2.137 -18.746 1.00 0.00 C ATOM 675 C ALA A 44 5.553 -1.842 -18.539 1.00 0.00 C ATOM 676 O ALA A 44 5.178 -1.164 -17.583 1.00 0.00 O ATOM 677 CB ALA A 44 7.712 -2.661 -17.474 1.00 0.00 C ATOM 0 H ALA A 44 7.533 -0.106 -18.611 1.00 0.00 H new ATOM 0 HA ALA A 44 7.119 -2.917 -19.503 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.207 -3.568 -17.143 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.759 -2.884 -17.681 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.650 -1.905 -16.692 1.00 0.00 H new ATOM 683 N ARG A 45 4.746 -2.367 -19.449 1.00 0.00 N ATOM 684 CA ARG A 45 3.308 -2.168 -19.379 1.00 0.00 C ATOM 685 C ARG A 45 2.695 -3.096 -18.329 1.00 0.00 C ATOM 686 O ARG A 45 2.595 -4.303 -18.544 1.00 0.00 O ATOM 687 CB ARG A 45 2.648 -2.434 -20.733 1.00 0.00 C ATOM 688 CG ARG A 45 1.171 -2.037 -20.711 1.00 0.00 C ATOM 689 CD ARG A 45 0.286 -3.191 -21.190 1.00 0.00 C ATOM 690 NE ARG A 45 0.835 -3.763 -22.440 1.00 0.00 N ATOM 691 CZ ARG A 45 0.136 -4.554 -23.281 1.00 0.00 C ATOM 692 NH1 ARG A 45 -1.149 -4.874 -23.012 1.00 0.00 N ATOM 693 NH2 ARG A 45 0.726 -5.011 -24.369 1.00 0.00 N ATOM 0 H ARG A 45 5.061 -2.930 -20.239 1.00 0.00 H new ATOM 0 HA ARG A 45 3.130 -1.130 -19.100 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.167 -1.874 -21.511 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.740 -3.490 -20.985 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.883 -1.749 -19.700 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.015 -1.166 -21.348 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.231 -3.962 -20.421 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.730 -2.835 -21.358 1.00 0.00 H new ATOM 0 HE ARG A 45 1.802 -3.546 -22.681 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.598 -4.517 -22.168 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.670 -5.472 -23.653 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.697 -4.765 -24.564 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.212 -5.610 -25.015 1.00 0.00 H new ATOM 706 N VAL A 46 2.299 -2.497 -17.215 1.00 0.00 N ATOM 707 CA VAL A 46 1.696 -3.255 -16.132 1.00 0.00 C ATOM 708 C VAL A 46 0.177 -3.270 -16.309 1.00 0.00 C ATOM 709 O VAL A 46 -0.479 -2.241 -16.157 1.00 0.00 O ATOM 710 CB VAL A 46 2.136 -2.680 -14.784 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.202 -3.776 -13.716 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.477 -1.954 -14.907 1.00 0.00 C ATOM 0 H VAL A 46 2.384 -1.496 -17.039 1.00 0.00 H new ATOM 0 HA VAL A 46 2.035 -4.291 -16.155 1.00 0.00 H new ATOM 0 HB VAL A 46 1.389 -1.951 -14.472 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.517 -3.341 -12.767 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.218 -4.229 -13.598 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.918 -4.539 -14.021 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.766 -1.555 -13.934 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.239 -2.653 -15.253 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.384 -1.136 -15.621 1.00 0.00 H new ATOM 722 N GLN A 47 -0.338 -4.448 -16.628 1.00 0.00 N ATOM 723 CA GLN A 47 -1.768 -4.609 -16.829 1.00 0.00 C ATOM 724 C GLN A 47 -2.385 -5.376 -15.656 1.00 0.00 C ATOM 725 O GLN A 47 -1.918 -6.457 -15.302 1.00 0.00 O ATOM 726 CB GLN A 47 -2.061 -5.311 -18.156 1.00 0.00 C ATOM 727 CG GLN A 47 -3.497 -5.835 -18.195 1.00 0.00 C ATOM 728 CD GLN A 47 -4.147 -5.552 -19.551 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.573 -6.446 -20.263 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.200 -4.261 -19.866 1.00 0.00 N ATOM 0 H GLN A 47 0.209 -5.300 -16.752 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.222 -3.619 -16.872 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.901 -4.617 -18.981 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.365 -6.138 -18.295 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.502 -6.908 -18.002 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.081 -5.366 -17.403 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.824 -3.563 -19.224 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.616 -3.968 -20.750 1.00 0.00 H new ATOM 739 N GLN A 48 -3.426 -4.785 -15.087 1.00 0.00 N ATOM 740 CA GLN A 48 -4.112 -5.399 -13.963 1.00 0.00 C ATOM 741 C GLN A 48 -5.183 -6.371 -14.462 1.00 0.00 C ATOM 742 O GLN A 48 -6.098 -5.976 -15.182 1.00 0.00 O ATOM 743 CB GLN A 48 -4.720 -4.337 -13.046 1.00 0.00 C ATOM 744 CG GLN A 48 -5.319 -4.975 -11.790 1.00 0.00 C ATOM 745 CD GLN A 48 -6.844 -5.053 -11.889 1.00 0.00 C ATOM 746 OE1 GLN A 48 -7.299 -6.222 -12.328 1.00 0.00 O flip ATOM 747 NE2 GLN A 48 -7.560 -4.112 -11.587 1.00 0.00 N flip ATOM 0 H GLN A 48 -3.811 -3.888 -15.383 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.383 -5.961 -13.380 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.954 -3.615 -12.762 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.493 -3.787 -13.583 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.908 -5.975 -11.655 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.037 -4.393 -10.912 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.145 -3.241 -11.256 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.573 -4.197 -11.665 1.00 0.00 H new ATOM 756 N ILE A 49 -5.034 -7.624 -14.058 1.00 0.00 N ATOM 757 CA ILE A 49 -5.978 -8.655 -14.455 1.00 0.00 C ATOM 758 C ILE A 49 -5.969 -9.777 -13.414 1.00 0.00 C ATOM 759 O ILE A 49 -5.070 -9.843 -12.576 1.00 0.00 O ATOM 760 CB ILE A 49 -5.683 -9.134 -15.877 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.369 -9.916 -15.931 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.695 -7.964 -16.863 1.00 0.00 C ATOM 763 CD1 ILE A 49 -3.168 -8.968 -15.974 1.00 0.00 C ATOM 0 H ILE A 49 -4.274 -7.949 -13.460 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.991 -8.253 -14.483 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.477 -9.818 -16.179 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.293 -10.566 -15.060 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.361 -10.560 -16.811 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.482 -8.332 -17.867 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.676 -7.488 -16.851 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.936 -7.237 -16.575 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.247 -9.549 -16.012 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.235 -8.336 -16.859 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.166 -8.343 -15.081 1.00 0.00 H new ATOM 775 N GLN A 50 -6.978 -10.630 -13.501 1.00 0.00 N ATOM 776 CA GLN A 50 -7.097 -11.745 -12.576 1.00 0.00 C ATOM 777 C GLN A 50 -6.486 -13.008 -13.187 1.00 0.00 C ATOM 778 O GLN A 50 -7.187 -13.800 -13.814 1.00 0.00 O ATOM 779 CB GLN A 50 -8.557 -11.977 -12.183 1.00 0.00 C ATOM 780 CG GLN A 50 -9.477 -11.866 -13.400 1.00 0.00 C ATOM 781 CD GLN A 50 -9.966 -10.428 -13.589 1.00 0.00 C ATOM 782 OE1 GLN A 50 -9.649 -9.900 -14.767 1.00 0.00 O flip ATOM 783 NE2 GLN A 50 -10.589 -9.839 -12.721 1.00 0.00 N flip ATOM 0 H GLN A 50 -7.721 -10.572 -14.197 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.545 -11.500 -11.668 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.663 -12.963 -11.731 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.855 -11.248 -11.430 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.945 -12.193 -14.293 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.332 -12.531 -13.276 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.799 -10.305 -11.838 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.900 -8.880 -12.878 1.00 0.00 H new ATOM 792 N VAL A 51 -5.185 -13.156 -12.982 1.00 0.00 N ATOM 793 CA VAL A 51 -4.472 -14.309 -13.504 1.00 0.00 C ATOM 794 C VAL A 51 -3.787 -15.045 -12.351 1.00 0.00 C ATOM 795 O VAL A 51 -3.233 -14.416 -11.451 1.00 0.00 O ATOM 796 CB VAL A 51 -3.496 -13.871 -14.598 1.00 0.00 C ATOM 797 CG1 VAL A 51 -4.221 -13.100 -15.702 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.353 -13.041 -14.010 1.00 0.00 C ATOM 0 H VAL A 51 -4.607 -12.496 -12.462 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.167 -15.008 -13.969 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.066 -14.768 -15.043 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.505 -12.800 -16.467 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.984 -13.737 -16.149 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.691 -12.213 -15.278 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.673 -12.742 -14.808 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.760 -12.152 -13.527 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.811 -13.637 -13.276 1.00 0.00 H new ATOM 808 N PRO A 52 -3.849 -16.402 -12.416 1.00 0.00 N ATOM 809 CA PRO A 52 -3.241 -17.229 -11.389 1.00 0.00 C ATOM 810 C PRO A 52 -1.718 -17.257 -11.537 1.00 0.00 C ATOM 811 O PRO A 52 -1.200 -17.626 -12.590 1.00 0.00 O ATOM 812 CB PRO A 52 -3.880 -18.599 -11.558 1.00 0.00 C ATOM 813 CG PRO A 52 -4.471 -18.613 -12.958 1.00 0.00 C ATOM 814 CD PRO A 52 -4.497 -17.181 -13.467 1.00 0.00 C ATOM 0 HA PRO A 52 -3.413 -16.845 -10.383 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.142 -19.392 -11.438 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.652 -18.765 -10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.874 -19.242 -13.618 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.477 -19.031 -12.943 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.965 -17.088 -14.414 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.518 -16.841 -13.640 1.00 0.00 H new ATOM 822 N LEU A 53 -1.044 -16.864 -10.466 1.00 0.00 N ATOM 823 CA LEU A 53 0.408 -16.840 -10.463 1.00 0.00 C ATOM 824 C LEU A 53 0.938 -18.271 -10.562 1.00 0.00 C ATOM 825 O LEU A 53 0.808 -19.051 -9.620 1.00 0.00 O ATOM 826 CB LEU A 53 0.929 -16.074 -9.246 1.00 0.00 C ATOM 827 CG LEU A 53 0.352 -14.671 -9.038 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.129 -14.484 -7.598 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.360 -13.597 -9.450 1.00 0.00 C ATOM 0 H LEU A 53 -1.477 -16.560 -9.594 1.00 0.00 H new ATOM 0 HA LEU A 53 0.781 -16.301 -11.334 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.723 -16.666 -8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.013 -15.991 -9.331 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.518 -14.560 -9.685 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.534 -13.479 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.904 -15.217 -7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.708 -14.622 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.925 -12.610 -9.292 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.263 -13.696 -8.848 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.611 -13.719 -10.504 1.00 0.00 H new ATOM 841 N GLY A 54 1.524 -18.574 -11.711 1.00 0.00 N ATOM 842 CA GLY A 54 2.074 -19.898 -11.945 1.00 0.00 C ATOM 843 C GLY A 54 3.368 -20.102 -11.154 1.00 0.00 C ATOM 844 O GLY A 54 3.348 -20.144 -9.924 1.00 0.00 O ATOM 0 H GLY A 54 1.630 -17.925 -12.490 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.344 -20.655 -11.657 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.269 -20.032 -13.009 1.00 0.00 H new ATOM 848 N ASP A 55 4.462 -20.222 -11.891 1.00 0.00 N ATOM 849 CA ASP A 55 5.762 -20.420 -11.274 1.00 0.00 C ATOM 850 C ASP A 55 6.071 -19.237 -10.353 1.00 0.00 C ATOM 851 O ASP A 55 5.211 -18.389 -10.118 1.00 0.00 O ATOM 852 CB ASP A 55 6.867 -20.497 -12.329 1.00 0.00 C ATOM 853 CG ASP A 55 7.713 -21.772 -12.289 1.00 0.00 C ATOM 854 OD1 ASP A 55 7.327 -22.774 -11.669 1.00 0.00 O ATOM 855 OD2 ASP A 55 8.826 -21.708 -12.936 1.00 0.00 O ATOM 0 H ASP A 55 4.475 -20.186 -12.910 1.00 0.00 H new ATOM 0 HA ASP A 55 5.730 -21.355 -10.715 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.413 -20.412 -13.316 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.526 -19.638 -12.206 1.00 0.00 H new ATOM 861 N ALA A 56 7.299 -19.218 -9.857 1.00 0.00 N ATOM 862 CA ALA A 56 7.731 -18.154 -8.968 1.00 0.00 C ATOM 863 C ALA A 56 9.260 -18.100 -8.950 1.00 0.00 C ATOM 864 O ALA A 56 9.877 -18.264 -7.899 1.00 0.00 O ATOM 865 CB ALA A 56 7.138 -18.379 -7.575 1.00 0.00 C ATOM 0 H ALA A 56 8.009 -19.923 -10.054 1.00 0.00 H new ATOM 0 HA ALA A 56 7.371 -17.188 -9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.462 -17.580 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.050 -18.379 -7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.479 -19.338 -7.185 1.00 0.00 H new ATOM 871 N ALA A 57 9.827 -17.866 -10.124 1.00 0.00 N ATOM 872 CA ALA A 57 11.271 -17.789 -10.257 1.00 0.00 C ATOM 873 C ALA A 57 11.655 -16.417 -10.815 1.00 0.00 C ATOM 874 O ALA A 57 10.998 -15.419 -10.525 1.00 0.00 O ATOM 875 CB ALA A 57 11.766 -18.937 -11.138 1.00 0.00 C ATOM 0 H ALA A 57 9.311 -17.727 -10.993 1.00 0.00 H new ATOM 0 HA ALA A 57 11.752 -17.896 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.850 -18.878 -11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.494 -19.889 -10.682 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.307 -18.863 -12.124 1.00 0.00 H new ATOM 881 N ARG A 58 12.717 -16.412 -11.607 1.00 0.00 N ATOM 882 CA ARG A 58 13.196 -15.180 -12.210 1.00 0.00 C ATOM 883 C ARG A 58 13.553 -15.411 -13.679 1.00 0.00 C ATOM 884 O ARG A 58 14.685 -15.167 -14.092 1.00 0.00 O ATOM 885 CB ARG A 58 14.425 -14.647 -11.471 1.00 0.00 C ATOM 886 CG ARG A 58 14.059 -14.185 -10.059 1.00 0.00 C ATOM 887 CD ARG A 58 15.103 -13.209 -9.513 1.00 0.00 C ATOM 888 NE ARG A 58 15.990 -13.903 -8.553 1.00 0.00 N ATOM 889 CZ ARG A 58 17.211 -13.456 -8.190 1.00 0.00 C ATOM 890 NH1 ARG A 58 17.701 -12.308 -8.706 1.00 0.00 N ATOM 891 NH2 ARG A 58 17.919 -14.156 -7.324 1.00 0.00 N ATOM 0 H ARG A 58 13.260 -17.242 -11.845 1.00 0.00 H new ATOM 0 HA ARG A 58 12.396 -14.443 -12.139 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.187 -15.425 -11.417 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.857 -13.816 -12.029 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.080 -13.706 -10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.983 -15.049 -9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 58 15.692 -12.797 -10.333 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.608 -12.370 -9.023 1.00 0.00 H new ATOM 0 HE ARG A 58 15.658 -14.774 -8.139 1.00 0.00 H new ATOM 0 HH11 ARG A 58 17.148 -11.772 -9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 58 18.624 -11.977 -8.427 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.542 -15.022 -6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.843 -13.831 -7.040 1.00 0.00 H new ATOM 904 N PRO A 59 12.539 -15.892 -14.448 1.00 0.00 N ATOM 905 CA PRO A 59 12.735 -16.159 -15.863 1.00 0.00 C ATOM 906 C PRO A 59 12.774 -14.858 -16.667 1.00 0.00 C ATOM 907 O PRO A 59 13.498 -14.758 -17.657 1.00 0.00 O ATOM 908 CB PRO A 59 11.580 -17.065 -16.255 1.00 0.00 C ATOM 909 CG PRO A 59 10.529 -16.896 -15.170 1.00 0.00 C ATOM 910 CD PRO A 59 11.185 -16.192 -13.993 1.00 0.00 C ATOM 0 HA PRO A 59 13.691 -16.640 -16.072 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.181 -16.789 -17.231 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.905 -18.103 -16.326 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.686 -16.313 -15.542 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.136 -17.866 -14.864 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.647 -15.283 -13.725 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.197 -16.828 -13.108 1.00 0.00 H new ATOM 918 N SER A 60 11.989 -13.894 -16.211 1.00 0.00 N ATOM 919 CA SER A 60 11.924 -12.604 -16.875 1.00 0.00 C ATOM 920 C SER A 60 13.195 -11.803 -16.585 1.00 0.00 C ATOM 921 O SER A 60 13.759 -11.180 -17.484 1.00 0.00 O ATOM 922 CB SER A 60 10.689 -11.817 -16.433 1.00 0.00 C ATOM 923 OG SER A 60 10.664 -10.504 -16.988 1.00 0.00 O ATOM 0 H SER A 60 11.392 -13.981 -15.389 1.00 0.00 H new ATOM 0 HA SER A 60 11.846 -12.776 -17.949 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.790 -12.355 -16.734 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.672 -11.751 -15.345 1.00 0.00 H new ATOM 0 HG SER A 60 9.859 -10.035 -16.683 1.00 0.00 H new ATOM 929 N HIS A 61 13.609 -11.845 -15.328 1.00 0.00 N ATOM 930 CA HIS A 61 14.803 -11.131 -14.908 1.00 0.00 C ATOM 931 C HIS A 61 16.034 -11.759 -15.566 1.00 0.00 C ATOM 932 O HIS A 61 17.021 -11.073 -15.826 1.00 0.00 O ATOM 933 CB HIS A 61 14.903 -11.088 -13.383 1.00 0.00 C ATOM 934 CG HIS A 61 13.714 -10.448 -12.707 1.00 0.00 C ATOM 935 ND1 HIS A 61 13.831 -9.652 -11.580 1.00 0.00 N ATOM 936 CD2 HIS A 61 12.385 -10.493 -13.011 1.00 0.00 C ATOM 937 CE1 HIS A 61 12.620 -9.244 -11.231 1.00 0.00 C ATOM 938 NE2 HIS A 61 11.726 -9.767 -12.118 1.00 0.00 N ATOM 0 H HIS A 61 13.139 -12.363 -14.586 1.00 0.00 H new ATOM 0 HA HIS A 61 14.746 -10.094 -15.239 1.00 0.00 H new ATOM 0 HB2 HIS A 61 15.017 -12.105 -13.008 1.00 0.00 H new ATOM 0 HB3 HIS A 61 15.804 -10.542 -13.104 1.00 0.00 H new ATOM 0 HD1 HIS A 61 14.701 -9.420 -11.101 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.944 -11.029 -13.839 1.00 0.00 H new ATOM 0 HE1 HIS A 61 12.382 -8.608 -10.391 1.00 0.00 H new ATOM 946 N LEU A 62 15.934 -13.056 -15.815 1.00 0.00 N ATOM 947 CA LEU A 62 17.027 -13.784 -16.439 1.00 0.00 C ATOM 948 C LEU A 62 16.946 -13.614 -17.957 1.00 0.00 C ATOM 949 O LEU A 62 17.971 -13.584 -18.637 1.00 0.00 O ATOM 950 CB LEU A 62 17.026 -15.245 -15.982 1.00 0.00 C ATOM 951 CG LEU A 62 18.223 -16.087 -16.427 1.00 0.00 C ATOM 952 CD1 LEU A 62 19.353 -16.019 -15.399 1.00 0.00 C ATOM 953 CD2 LEU A 62 17.801 -17.529 -16.721 1.00 0.00 C ATOM 0 H LEU A 62 15.114 -13.622 -15.596 1.00 0.00 H new ATOM 0 HA LEU A 62 17.987 -13.376 -16.123 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.978 -15.264 -14.893 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.116 -15.720 -16.350 1.00 0.00 H new ATOM 0 HG LEU A 62 18.608 -15.669 -17.357 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.192 -16.626 -15.740 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.677 -14.985 -15.283 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.997 -16.397 -14.441 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.671 -18.106 -17.035 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.376 -17.974 -15.821 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.055 -17.535 -17.516 1.00 0.00 H new ATOM 965 N LEU A 63 15.718 -13.507 -18.444 1.00 0.00 N ATOM 966 CA LEU A 63 15.491 -13.342 -19.869 1.00 0.00 C ATOM 967 C LEU A 63 15.639 -11.865 -20.238 1.00 0.00 C ATOM 968 O LEU A 63 16.594 -11.482 -20.913 1.00 0.00 O ATOM 969 CB LEU A 63 14.143 -13.944 -20.270 1.00 0.00 C ATOM 970 CG LEU A 63 13.918 -14.147 -21.770 1.00 0.00 C ATOM 971 CD1 LEU A 63 13.826 -12.804 -22.498 1.00 0.00 C ATOM 972 CD2 LEU A 63 14.998 -15.050 -22.369 1.00 0.00 C ATOM 0 H LEU A 63 14.871 -13.531 -17.877 1.00 0.00 H new ATOM 0 HA LEU A 63 16.241 -13.890 -20.440 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.036 -14.908 -19.773 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.352 -13.299 -19.888 1.00 0.00 H new ATOM 0 HG LEU A 63 12.962 -14.653 -21.906 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.666 -12.977 -23.562 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.993 -12.228 -22.095 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.753 -12.249 -22.356 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.815 -15.178 -23.436 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.977 -14.594 -22.221 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.973 -16.022 -21.877 1.00 0.00 H new ATOM 984 N THR A 64 14.680 -11.074 -19.777 1.00 0.00 N ATOM 985 CA THR A 64 14.693 -9.647 -20.050 1.00 0.00 C ATOM 986 C THR A 64 15.741 -8.948 -19.183 1.00 0.00 C ATOM 987 O THR A 64 16.661 -8.318 -19.702 1.00 0.00 O ATOM 988 CB THR A 64 13.274 -9.113 -19.837 1.00 0.00 C ATOM 989 OG1 THR A 64 12.578 -9.497 -21.020 1.00 0.00 O ATOM 990 CG2 THR A 64 13.216 -7.585 -19.850 1.00 0.00 C ATOM 0 H THR A 64 13.890 -11.394 -19.217 1.00 0.00 H new ATOM 0 HA THR A 64 14.982 -9.444 -21.081 1.00 0.00 H new ATOM 0 HB THR A 64 12.885 -9.483 -18.888 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.675 -9.797 -20.785 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.188 -7.259 -19.695 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.846 -7.190 -19.053 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.573 -7.216 -20.811 1.00 0.00 H new ATOM 998 N SER A 65 15.566 -9.081 -17.876 1.00 0.00 N ATOM 999 CA SER A 65 16.486 -8.469 -16.932 1.00 0.00 C ATOM 1000 C SER A 65 16.406 -6.945 -17.037 1.00 0.00 C ATOM 1001 O SER A 65 17.401 -6.286 -17.337 1.00 0.00 O ATOM 1002 CB SER A 65 17.921 -8.943 -17.174 1.00 0.00 C ATOM 1003 OG SER A 65 18.586 -8.150 -18.154 1.00 0.00 O ATOM 0 H SER A 65 14.801 -9.603 -17.449 1.00 0.00 H new ATOM 0 HA SER A 65 16.196 -8.774 -15.926 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.478 -8.905 -16.238 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.910 -9.984 -17.497 1.00 0.00 H new ATOM 0 HG SER A 65 18.156 -8.279 -19.025 1.00 0.00 H new ATOM 1009 N GLN A 66 15.213 -6.428 -16.781 1.00 0.00 N ATOM 1010 CA GLN A 66 14.990 -4.993 -16.842 1.00 0.00 C ATOM 1011 C GLN A 66 14.086 -4.548 -15.691 1.00 0.00 C ATOM 1012 O GLN A 66 14.429 -3.629 -14.947 1.00 0.00 O ATOM 1013 CB GLN A 66 14.398 -4.586 -18.193 1.00 0.00 C ATOM 1014 CG GLN A 66 15.418 -4.780 -19.318 1.00 0.00 C ATOM 1015 CD GLN A 66 14.718 -5.076 -20.646 1.00 0.00 C ATOM 1016 OE1 GLN A 66 13.664 -4.547 -20.954 1.00 0.00 O ATOM 1017 NE2 GLN A 66 15.363 -5.951 -21.413 1.00 0.00 N ATOM 0 H GLN A 66 14.391 -6.977 -16.531 1.00 0.00 H new ATOM 0 HA GLN A 66 15.952 -4.491 -16.739 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.507 -5.180 -18.398 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.084 -3.543 -18.157 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.030 -3.884 -19.417 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.091 -5.600 -19.067 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.243 -6.357 -21.094 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.978 -6.216 -22.320 1.00 0.00 H new ATOM 1026 N LEU A 67 12.949 -5.218 -15.581 1.00 0.00 N ATOM 1027 CA LEU A 67 11.992 -4.902 -14.534 1.00 0.00 C ATOM 1028 C LEU A 67 12.585 -5.286 -13.176 1.00 0.00 C ATOM 1029 O LEU A 67 13.250 -6.313 -13.052 1.00 0.00 O ATOM 1030 CB LEU A 67 10.642 -5.561 -14.823 1.00 0.00 C ATOM 1031 CG LEU A 67 9.901 -5.055 -16.063 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.762 -5.210 -17.317 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.544 -5.745 -16.209 1.00 0.00 C ATOM 0 H LEU A 67 12.668 -5.979 -16.200 1.00 0.00 H new ATOM 0 HA LEU A 67 11.797 -3.830 -14.507 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.799 -6.634 -14.931 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.997 -5.419 -13.956 1.00 0.00 H new ATOM 0 HG LEU A 67 9.708 -3.990 -15.936 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.212 -4.843 -18.184 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.681 -4.636 -17.201 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.008 -6.262 -17.462 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.038 -5.368 -17.098 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.691 -6.821 -16.304 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.934 -5.539 -15.329 1.00 0.00 H new ATOM 1045 N PRO A 68 12.315 -4.417 -12.164 1.00 0.00 N ATOM 1046 CA PRO A 68 12.814 -4.654 -10.820 1.00 0.00 C ATOM 1047 C PRO A 68 12.017 -5.762 -10.128 1.00 0.00 C ATOM 1048 O PRO A 68 11.040 -6.266 -10.678 1.00 0.00 O ATOM 1049 CB PRO A 68 12.701 -3.312 -10.117 1.00 0.00 C ATOM 1050 CG PRO A 68 11.718 -2.492 -10.936 1.00 0.00 C ATOM 1051 CD PRO A 68 11.531 -3.191 -12.274 1.00 0.00 C ATOM 0 HA PRO A 68 13.845 -5.008 -10.809 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.348 -3.436 -9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.671 -2.817 -10.062 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.765 -2.405 -10.414 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.094 -1.480 -11.083 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.480 -3.409 -12.464 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.881 -2.569 -13.098 1.00 0.00 H new ATOM 1059 N LEU A 69 12.465 -6.109 -8.930 1.00 0.00 N ATOM 1060 CA LEU A 69 11.807 -7.148 -8.156 1.00 0.00 C ATOM 1061 C LEU A 69 10.628 -6.539 -7.395 1.00 0.00 C ATOM 1062 O LEU A 69 9.775 -7.264 -6.882 1.00 0.00 O ATOM 1063 CB LEU A 69 12.815 -7.866 -7.258 1.00 0.00 C ATOM 1064 CG LEU A 69 12.524 -9.340 -6.969 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.158 -9.509 -6.300 1.00 0.00 C ATOM 1066 CD2 LEU A 69 12.648 -10.183 -8.239 1.00 0.00 C ATOM 0 H LEU A 69 13.276 -5.689 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 69 11.400 -7.915 -8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.799 -7.794 -7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.869 -7.334 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 69 13.274 -9.704 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.976 -10.566 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.143 -8.959 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.380 -9.122 -6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.436 -11.226 -8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.936 -9.826 -8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.660 -10.098 -8.635 1.00 0.00 H new ATOM 1078 N MET A 70 10.616 -5.216 -7.343 1.00 0.00 N ATOM 1079 CA MET A 70 9.555 -4.502 -6.653 1.00 0.00 C ATOM 1080 C MET A 70 9.573 -3.014 -7.010 1.00 0.00 C ATOM 1081 O MET A 70 10.638 -2.407 -7.105 1.00 0.00 O ATOM 1082 CB MET A 70 9.730 -4.667 -5.142 1.00 0.00 C ATOM 1083 CG MET A 70 8.745 -3.780 -4.378 1.00 0.00 C ATOM 1084 SD MET A 70 9.630 -2.713 -3.252 1.00 0.00 S ATOM 1085 CE MET A 70 10.485 -3.936 -2.272 1.00 0.00 C ATOM 0 H MET A 70 11.325 -4.618 -7.768 1.00 0.00 H new ATOM 0 HA MET A 70 8.598 -4.919 -6.965 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.576 -5.710 -4.866 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.751 -4.410 -4.860 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.164 -3.181 -5.079 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.038 -4.399 -3.826 1.00 0.00 H new ATOM 0 HE1 MET A 70 10.588 -3.575 -1.249 1.00 0.00 H new ATOM 0 HE2 MET A 70 9.916 -4.866 -2.273 1.00 0.00 H new ATOM 0 HE3 MET A 70 11.474 -4.115 -2.695 1.00 0.00 H new ATOM 1095 N TRP A 71 8.379 -2.471 -7.198 1.00 0.00 N ATOM 1096 CA TRP A 71 8.244 -1.066 -7.544 1.00 0.00 C ATOM 1097 C TRP A 71 7.730 -0.323 -6.309 1.00 0.00 C ATOM 1098 O TRP A 71 7.074 -0.913 -5.452 1.00 0.00 O ATOM 1099 CB TRP A 71 7.341 -0.887 -8.767 1.00 0.00 C ATOM 1100 CG TRP A 71 8.084 -0.951 -10.103 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.220 -0.328 -10.445 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.694 -1.709 -11.268 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.589 -0.628 -11.742 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.632 -1.494 -12.257 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.586 -2.547 -11.479 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.557 -2.082 -13.525 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.525 -3.127 -12.752 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.461 -2.922 -13.758 1.00 0.00 C ATOM 0 H TRP A 71 7.497 -2.978 -7.117 1.00 0.00 H new ATOM 0 HA TRP A 71 9.208 -0.644 -7.829 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.571 -1.659 -8.754 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.831 0.073 -8.692 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.777 0.326 -9.790 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.413 -0.278 -12.232 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.840 -2.729 -10.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.304 -1.898 -14.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.692 -3.780 -12.967 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.344 -3.408 -14.715 1.00 0.00 H new ATOM 1119 N GLN A 72 8.049 0.962 -6.257 1.00 0.00 N ATOM 1120 CA GLN A 72 7.630 1.793 -5.140 1.00 0.00 C ATOM 1121 C GLN A 72 7.105 3.137 -5.646 1.00 0.00 C ATOM 1122 O GLN A 72 7.881 4.065 -5.874 1.00 0.00 O ATOM 1123 CB GLN A 72 8.774 1.990 -4.143 1.00 0.00 C ATOM 1124 CG GLN A 72 8.268 2.630 -2.849 1.00 0.00 C ATOM 1125 CD GLN A 72 7.088 1.846 -2.274 1.00 0.00 C ATOM 1126 OE1 GLN A 72 7.270 0.529 -2.257 1.00 0.00 O flip ATOM 1127 NE2 GLN A 72 6.079 2.400 -1.870 1.00 0.00 N flip ATOM 0 H GLN A 72 8.593 1.448 -6.970 1.00 0.00 H new ATOM 0 HA GLN A 72 6.821 1.283 -4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.237 1.029 -3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.544 2.620 -4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.075 2.667 -2.118 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.966 3.659 -3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.004 3.416 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.311 1.847 -1.490 1.00 0.00 H new ATOM 1136 N LEU A 73 5.791 3.201 -5.807 1.00 0.00 N ATOM 1137 CA LEU A 73 5.154 4.418 -6.282 1.00 0.00 C ATOM 1138 C LEU A 73 5.798 5.626 -5.599 1.00 0.00 C ATOM 1139 O LEU A 73 5.877 5.681 -4.372 1.00 0.00 O ATOM 1140 CB LEU A 73 3.638 4.338 -6.091 1.00 0.00 C ATOM 1141 CG LEU A 73 2.885 5.669 -6.139 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.349 6.518 -7.325 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.372 5.443 -6.153 1.00 0.00 C ATOM 0 H LEU A 73 5.150 2.430 -5.617 1.00 0.00 H new ATOM 0 HA LEU A 73 5.311 4.537 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.229 3.684 -6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.437 3.864 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 73 3.118 6.227 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.798 7.459 -7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.415 6.723 -7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.164 5.978 -8.254 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.861 6.405 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.100 4.856 -7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.076 4.907 -5.251 1.00 0.00 H new ATOM 1155 N TYR A 74 6.241 6.565 -6.423 1.00 0.00 N ATOM 1156 CA TYR A 74 6.875 7.769 -5.913 1.00 0.00 C ATOM 1157 C TYR A 74 6.169 9.022 -6.433 1.00 0.00 C ATOM 1158 O TYR A 74 5.180 8.926 -7.158 1.00 0.00 O ATOM 1159 CB TYR A 74 8.309 7.746 -6.445 1.00 0.00 C ATOM 1160 CG TYR A 74 9.378 7.694 -5.351 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.199 6.882 -4.250 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.521 8.459 -5.466 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.205 6.833 -3.220 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.527 8.409 -4.436 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.320 7.599 -3.364 1.00 0.00 C ATOM 1166 OH TYR A 74 12.269 7.552 -2.392 1.00 0.00 O ATOM 0 H TYR A 74 6.173 6.516 -7.440 1.00 0.00 H new ATOM 0 HA TYR A 74 6.834 7.794 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.430 6.882 -7.098 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.473 8.633 -7.057 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.305 6.283 -4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.661 9.095 -6.328 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.077 6.202 -2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.426 9.002 -4.514 1.00 0.00 H new ATOM 0 HH TYR A 74 13.009 8.149 -2.628 1.00 0.00 H new ATOM 1176 N PRO A 75 6.720 10.200 -6.032 1.00 0.00 N ATOM 1177 CA PRO A 75 6.154 11.471 -6.450 1.00 0.00 C ATOM 1178 C PRO A 75 6.496 11.769 -7.912 1.00 0.00 C ATOM 1179 O PRO A 75 7.301 11.066 -8.520 1.00 0.00 O ATOM 1180 CB PRO A 75 6.730 12.494 -5.485 1.00 0.00 C ATOM 1181 CG PRO A 75 7.950 11.838 -4.861 1.00 0.00 C ATOM 1182 CD PRO A 75 7.891 10.351 -5.174 1.00 0.00 C ATOM 0 HA PRO A 75 5.065 11.479 -6.414 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.004 13.411 -6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.000 12.766 -4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.865 12.276 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.962 12.001 -3.783 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.797 10.016 -5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.795 9.758 -4.264 1.00 0.00 H new ATOM 1190 N GLU A 76 5.865 12.811 -8.433 1.00 0.00 N ATOM 1191 CA GLU A 76 6.092 13.211 -9.811 1.00 0.00 C ATOM 1192 C GLU A 76 5.428 12.219 -10.767 1.00 0.00 C ATOM 1193 O GLU A 76 5.687 12.241 -11.969 1.00 0.00 O ATOM 1194 CB GLU A 76 7.588 13.339 -10.106 1.00 0.00 C ATOM 1195 CG GLU A 76 8.273 14.248 -9.083 1.00 0.00 C ATOM 1196 CD GLU A 76 8.695 15.572 -9.721 1.00 0.00 C ATOM 1197 OE1 GLU A 76 7.867 16.247 -10.352 1.00 0.00 O ATOM 1198 OE2 GLU A 76 9.930 15.895 -9.542 1.00 0.00 O ATOM 0 H GLU A 76 5.196 13.390 -7.925 1.00 0.00 H new ATOM 0 HA GLU A 76 5.640 14.191 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.051 12.353 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.731 13.741 -11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.595 14.441 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.147 13.744 -8.671 1.00 0.00 H new ATOM 1206 N GLU A 77 4.584 11.371 -10.197 1.00 0.00 N ATOM 1207 CA GLU A 77 3.879 10.373 -10.985 1.00 0.00 C ATOM 1208 C GLU A 77 4.870 9.367 -11.576 1.00 0.00 C ATOM 1209 O GLU A 77 4.813 9.060 -12.766 1.00 0.00 O ATOM 1210 CB GLU A 77 3.045 11.032 -12.085 1.00 0.00 C ATOM 1211 CG GLU A 77 2.223 9.991 -12.847 1.00 0.00 C ATOM 1212 CD GLU A 77 0.989 10.629 -13.488 1.00 0.00 C ATOM 1213 OE1 GLU A 77 1.085 11.723 -14.065 1.00 0.00 O ATOM 1214 OE2 GLU A 77 -0.100 9.947 -13.373 1.00 0.00 O ATOM 0 H GLU A 77 4.372 11.354 -9.199 1.00 0.00 H new ATOM 0 HA GLU A 77 3.194 9.836 -10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.380 11.776 -11.646 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.701 11.560 -12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.840 9.529 -13.618 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.915 9.197 -12.167 1.00 0.00 H new ATOM 1222 N ARG A 78 5.754 8.881 -10.717 1.00 0.00 N ATOM 1223 CA ARG A 78 6.755 7.916 -11.139 1.00 0.00 C ATOM 1224 C ARG A 78 6.903 6.812 -10.090 1.00 0.00 C ATOM 1225 O ARG A 78 6.496 6.983 -8.942 1.00 0.00 O ATOM 1226 CB ARG A 78 8.111 8.589 -11.355 1.00 0.00 C ATOM 1227 CG ARG A 78 7.956 9.895 -12.137 1.00 0.00 C ATOM 1228 CD ARG A 78 9.095 10.865 -11.815 1.00 0.00 C ATOM 1229 NE ARG A 78 10.240 10.621 -12.720 1.00 0.00 N ATOM 1230 CZ ARG A 78 11.219 11.518 -12.963 1.00 0.00 C ATOM 1231 NH1 ARG A 78 11.199 12.730 -12.368 1.00 0.00 N ATOM 1232 NH2 ARG A 78 12.195 11.193 -13.790 1.00 0.00 N ATOM 0 H ARG A 78 5.798 9.137 -9.731 1.00 0.00 H new ATOM 0 HA ARG A 78 6.422 7.483 -12.082 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.578 8.791 -10.391 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.774 7.914 -11.896 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.945 9.684 -13.206 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.000 10.358 -11.893 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.749 11.893 -11.922 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.408 10.740 -10.778 1.00 0.00 H new ATOM 0 HE ARG A 78 10.293 9.717 -13.190 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.441 12.973 -11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.942 13.403 -12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.202 10.275 -14.235 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.942 11.860 -13.984 1.00 0.00 H new ATOM 1245 N TYR A 79 7.486 5.703 -10.522 1.00 0.00 N ATOM 1246 CA TYR A 79 7.694 4.573 -9.635 1.00 0.00 C ATOM 1247 C TYR A 79 9.185 4.327 -9.399 1.00 0.00 C ATOM 1248 O TYR A 79 9.950 4.168 -10.348 1.00 0.00 O ATOM 1249 CB TYR A 79 7.097 3.360 -10.351 1.00 0.00 C ATOM 1250 CG TYR A 79 5.636 3.080 -9.990 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.809 4.118 -9.609 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.145 1.792 -10.048 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.435 3.855 -9.270 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.770 1.530 -9.708 1.00 0.00 C ATOM 1255 CZ TYR A 79 2.984 2.574 -9.337 1.00 0.00 C ATOM 1256 OH TYR A 79 1.685 2.326 -9.016 1.00 0.00 O ATOM 0 H TYR A 79 7.821 5.564 -11.475 1.00 0.00 H new ATOM 0 HA TYR A 79 7.231 4.757 -8.665 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.171 3.514 -11.428 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.694 2.480 -10.113 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.193 5.127 -9.565 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.791 0.980 -10.348 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.777 4.657 -8.969 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.373 0.526 -9.747 1.00 0.00 H new ATOM 0 HH TYR A 79 1.643 1.600 -8.360 1.00 0.00 H new ATOM 1266 N MET A 80 9.556 4.304 -8.126 1.00 0.00 N ATOM 1267 CA MET A 80 10.942 4.081 -7.754 1.00 0.00 C ATOM 1268 C MET A 80 11.179 2.617 -7.378 1.00 0.00 C ATOM 1269 O MET A 80 10.547 2.098 -6.459 1.00 0.00 O ATOM 1270 CB MET A 80 11.302 4.978 -6.567 1.00 0.00 C ATOM 1271 CG MET A 80 12.785 4.851 -6.215 1.00 0.00 C ATOM 1272 SD MET A 80 13.391 6.396 -5.558 1.00 0.00 S ATOM 1273 CE MET A 80 14.952 6.507 -6.418 1.00 0.00 C ATOM 0 H MET A 80 8.920 4.436 -7.340 1.00 0.00 H new ATOM 0 HA MET A 80 11.573 4.324 -8.609 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.069 6.015 -6.807 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.695 4.706 -5.704 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.927 4.055 -5.484 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.355 4.575 -7.102 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.466 7.421 -6.122 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.569 5.645 -6.164 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.775 6.522 -7.493 1.00 0.00 H new ATOM 1283 N ASP A 81 12.091 1.993 -8.109 1.00 0.00 N ATOM 1284 CA ASP A 81 12.420 0.599 -7.863 1.00 0.00 C ATOM 1285 C ASP A 81 13.598 0.520 -6.891 1.00 0.00 C ATOM 1286 O ASP A 81 14.128 1.547 -6.468 1.00 0.00 O ATOM 1287 CB ASP A 81 12.828 -0.107 -9.159 1.00 0.00 C ATOM 1288 CG ASP A 81 14.110 0.421 -9.806 1.00 0.00 C ATOM 1289 OD1 ASP A 81 14.167 0.636 -11.026 1.00 0.00 O ATOM 1290 OD2 ASP A 81 15.092 0.615 -8.992 1.00 0.00 O ATOM 0 H ASP A 81 12.612 2.427 -8.871 1.00 0.00 H new ATOM 0 HA ASP A 81 11.537 0.112 -7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.954 -1.170 -8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.013 -0.017 -9.877 1.00 0.00 H new ATOM 1296 N ASN A 82 13.975 -0.707 -6.565 1.00 0.00 N ATOM 1297 CA ASN A 82 15.082 -0.933 -5.652 1.00 0.00 C ATOM 1298 C ASN A 82 16.336 -1.288 -6.454 1.00 0.00 C ATOM 1299 O ASN A 82 17.384 -1.576 -5.879 1.00 0.00 O ATOM 1300 CB ASN A 82 14.784 -2.094 -4.702 1.00 0.00 C ATOM 1301 CG ASN A 82 14.776 -1.624 -3.245 1.00 0.00 C ATOM 1302 OD1 ASN A 82 15.504 -0.727 -2.852 1.00 0.00 O ATOM 1303 ND2 ASN A 82 13.914 -2.276 -2.471 1.00 0.00 N ATOM 0 H ASN A 82 13.533 -1.556 -6.917 1.00 0.00 H new ATOM 0 HA ASN A 82 15.232 -0.022 -5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.818 -2.533 -4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.533 -2.876 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.832 -2.035 -1.483 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.334 -3.017 -2.865 1.00 0.00 H new ATOM 1310 N ASN A 83 16.186 -1.256 -7.770 1.00 0.00 N ATOM 1311 CA ASN A 83 17.294 -1.571 -8.657 1.00 0.00 C ATOM 1312 C ASN A 83 18.205 -0.349 -8.780 1.00 0.00 C ATOM 1313 O ASN A 83 19.244 -0.409 -9.436 1.00 0.00 O ATOM 1314 CB ASN A 83 16.792 -1.930 -10.057 1.00 0.00 C ATOM 1315 CG ASN A 83 17.740 -2.917 -10.742 1.00 0.00 C ATOM 1316 OD1 ASN A 83 18.492 -3.637 -10.107 1.00 0.00 O ATOM 1317 ND2 ASN A 83 17.662 -2.909 -12.070 1.00 0.00 N ATOM 0 H ASN A 83 15.315 -1.017 -8.244 1.00 0.00 H new ATOM 0 HA ASN A 83 17.832 -2.421 -8.238 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.795 -2.365 -9.989 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.705 -1.026 -10.659 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.254 -3.532 -12.619 1.00 0.00 H new ATOM 0 HD22 ASN A 83 17.010 -2.280 -12.539 1.00 0.00 H new ATOM 1324 N SER A 84 17.784 0.732 -8.139 1.00 0.00 N ATOM 1325 CA SER A 84 18.550 1.967 -8.170 1.00 0.00 C ATOM 1326 C SER A 84 18.157 2.795 -9.395 1.00 0.00 C ATOM 1327 O SER A 84 19.009 3.420 -10.024 1.00 0.00 O ATOM 1328 CB SER A 84 20.053 1.683 -8.180 1.00 0.00 C ATOM 1329 OG SER A 84 20.782 2.632 -7.407 1.00 0.00 O ATOM 0 H SER A 84 16.922 0.778 -7.595 1.00 0.00 H new ATOM 0 HA SER A 84 18.322 2.534 -7.268 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.235 0.682 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.417 1.696 -9.207 1.00 0.00 H new ATOM 0 HG SER A 84 21.737 2.415 -7.438 1.00 0.00 H new ATOM 1335 N ARG A 85 16.868 2.773 -9.697 1.00 0.00 N ATOM 1336 CA ARG A 85 16.352 3.513 -10.835 1.00 0.00 C ATOM 1337 C ARG A 85 14.924 3.987 -10.558 1.00 0.00 C ATOM 1338 O ARG A 85 14.252 3.459 -9.674 1.00 0.00 O ATOM 1339 CB ARG A 85 16.360 2.655 -12.101 1.00 0.00 C ATOM 1340 CG ARG A 85 17.788 2.273 -12.496 1.00 0.00 C ATOM 1341 CD ARG A 85 17.925 2.157 -14.016 1.00 0.00 C ATOM 1342 NE ARG A 85 19.175 1.443 -14.358 1.00 0.00 N ATOM 1343 CZ ARG A 85 19.393 0.821 -15.537 1.00 0.00 C ATOM 1344 NH1 ARG A 85 18.443 0.821 -16.497 1.00 0.00 N ATOM 1345 NH2 ARG A 85 20.547 0.213 -15.736 1.00 0.00 N ATOM 0 H ARG A 85 16.164 2.253 -9.172 1.00 0.00 H new ATOM 0 HA ARG A 85 17.001 4.375 -10.990 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.771 1.753 -11.937 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.887 3.201 -12.917 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.485 3.022 -12.121 1.00 0.00 H new ATOM 0 HG3 ARG A 85 18.057 1.325 -12.030 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.068 1.624 -14.427 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.929 3.150 -14.466 1.00 0.00 H new ATOM 0 HE ARG A 85 19.918 1.419 -13.660 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.554 1.293 -16.334 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.615 0.349 -17.385 1.00 0.00 H new ATOM 0 HH21 ARG A 85 21.258 0.217 -15.005 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.728 -0.261 -16.621 1.00 0.00 H new ATOM 1358 N LEU A 86 14.504 4.978 -11.329 1.00 0.00 N ATOM 1359 CA LEU A 86 13.167 5.530 -11.178 1.00 0.00 C ATOM 1360 C LEU A 86 12.418 5.415 -12.507 1.00 0.00 C ATOM 1361 O LEU A 86 12.831 5.997 -13.509 1.00 0.00 O ATOM 1362 CB LEU A 86 13.236 6.957 -10.632 1.00 0.00 C ATOM 1363 CG LEU A 86 12.043 7.412 -9.790 1.00 0.00 C ATOM 1364 CD1 LEU A 86 12.196 8.875 -9.366 1.00 0.00 C ATOM 1365 CD2 LEU A 86 10.725 7.164 -10.526 1.00 0.00 C ATOM 0 H LEU A 86 15.065 5.414 -12.061 1.00 0.00 H new ATOM 0 HA LEU A 86 12.600 4.959 -10.443 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.138 7.050 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.344 7.642 -11.473 1.00 0.00 H new ATOM 0 HG LEU A 86 12.021 6.813 -8.879 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.334 9.173 -8.769 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.104 8.989 -8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.258 9.506 -10.253 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.893 7.497 -9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.722 7.719 -11.464 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.619 6.099 -10.734 1.00 0.00 H new ATOM 1377 N TRP A 87 11.330 4.659 -12.472 1.00 0.00 N ATOM 1378 CA TRP A 87 10.519 4.461 -13.661 1.00 0.00 C ATOM 1379 C TRP A 87 9.450 5.554 -13.693 1.00 0.00 C ATOM 1380 O TRP A 87 8.871 5.890 -12.662 1.00 0.00 O ATOM 1381 CB TRP A 87 9.932 3.048 -13.695 1.00 0.00 C ATOM 1382 CG TRP A 87 10.982 1.937 -13.665 1.00 0.00 C ATOM 1383 CD1 TRP A 87 12.045 1.827 -12.857 1.00 0.00 C ATOM 1384 CD2 TRP A 87 11.026 0.773 -14.519 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.768 0.682 -13.125 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.130 0.021 -14.169 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.163 0.369 -15.553 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.472 -1.179 -14.802 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.519 -0.833 -16.176 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.627 -1.601 -15.834 1.00 0.00 C ATOM 0 H TRP A 87 10.992 4.177 -11.639 1.00 0.00 H new ATOM 0 HA TRP A 87 11.128 4.545 -14.561 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.262 2.924 -12.844 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.328 2.938 -14.595 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.304 2.544 -12.092 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.615 0.377 -12.645 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.294 0.941 -15.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.342 -1.749 -14.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.889 -1.189 -16.978 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.834 -2.519 -16.363 1.00 0.00 H new ATOM 1401 N GLN A 88 9.221 6.079 -14.888 1.00 0.00 N ATOM 1402 CA GLN A 88 8.231 7.128 -15.067 1.00 0.00 C ATOM 1403 C GLN A 88 6.909 6.531 -15.555 1.00 0.00 C ATOM 1404 O GLN A 88 6.867 5.868 -16.591 1.00 0.00 O ATOM 1405 CB GLN A 88 8.738 8.201 -16.032 1.00 0.00 C ATOM 1406 CG GLN A 88 7.574 9.001 -16.623 1.00 0.00 C ATOM 1407 CD GLN A 88 7.947 10.476 -16.779 1.00 0.00 C ATOM 1408 OE1 GLN A 88 7.877 11.263 -15.848 1.00 0.00 O ATOM 1409 NE2 GLN A 88 8.345 10.807 -18.003 1.00 0.00 N ATOM 0 H GLN A 88 9.704 5.798 -15.741 1.00 0.00 H new ATOM 0 HA GLN A 88 8.057 7.606 -14.103 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.418 8.874 -15.509 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.307 7.733 -16.835 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.299 8.587 -17.593 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.700 8.909 -15.978 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.381 10.099 -18.737 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.615 11.769 -18.209 1.00 0.00 H new ATOM 1418 N ILE A 89 5.860 6.788 -14.787 1.00 0.00 N ATOM 1419 CA ILE A 89 4.541 6.286 -15.129 1.00 0.00 C ATOM 1420 C ILE A 89 4.120 6.852 -16.487 1.00 0.00 C ATOM 1421 O ILE A 89 3.503 7.914 -16.556 1.00 0.00 O ATOM 1422 CB ILE A 89 3.546 6.583 -14.004 1.00 0.00 C ATOM 1423 CG1 ILE A 89 4.011 5.965 -12.684 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.136 6.128 -14.385 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.624 4.487 -12.604 1.00 0.00 C ATOM 0 H ILE A 89 5.898 7.338 -13.929 1.00 0.00 H new ATOM 0 HA ILE A 89 4.561 5.201 -15.228 1.00 0.00 H new ATOM 0 HB ILE A 89 3.507 7.662 -13.858 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.092 6.067 -12.592 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.567 6.507 -11.849 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.449 6.351 -13.569 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.814 6.654 -15.284 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.139 5.055 -14.574 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.966 4.072 -11.656 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.540 4.390 -12.672 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.089 3.944 -13.427 1.00 0.00 H new ATOM 1437 N GLN A 90 4.472 6.119 -17.532 1.00 0.00 N ATOM 1438 CA GLN A 90 4.138 6.533 -18.884 1.00 0.00 C ATOM 1439 C GLN A 90 2.658 6.914 -18.973 1.00 0.00 C ATOM 1440 O GLN A 90 2.312 7.946 -19.545 1.00 0.00 O ATOM 1441 CB GLN A 90 4.483 5.438 -19.895 1.00 0.00 C ATOM 1442 CG GLN A 90 5.521 5.932 -20.904 1.00 0.00 C ATOM 1443 CD GLN A 90 4.900 6.922 -21.892 1.00 0.00 C ATOM 1444 OE1 GLN A 90 3.737 7.278 -21.803 1.00 0.00 O ATOM 1445 NE2 GLN A 90 5.739 7.344 -22.834 1.00 0.00 N ATOM 0 H GLN A 90 4.986 5.240 -17.470 1.00 0.00 H new ATOM 0 HA GLN A 90 4.735 7.411 -19.131 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.867 4.563 -19.372 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.580 5.125 -20.420 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.347 6.409 -20.377 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.937 5.084 -21.447 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.701 7.005 -22.850 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.421 8.007 -23.541 1.00 0.00 H new ATOM 1454 N HIS A 91 1.825 6.061 -18.395 1.00 0.00 N ATOM 1455 CA HIS A 91 0.391 6.295 -18.403 1.00 0.00 C ATOM 1456 C HIS A 91 -0.302 5.258 -17.516 1.00 0.00 C ATOM 1457 O HIS A 91 0.055 4.081 -17.535 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.151 6.308 -19.834 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.834 5.025 -20.244 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -1.775 4.273 -19.604 1.00 0.00 N flip ATOM 1461 CD2 HIS A 91 -0.567 4.383 -21.440 1.00 0.00 C flip ATOM 1462 CE1 HIS A 91 -2.068 3.228 -20.368 1.00 0.00 C flip ATOM 1463 NE2 HIS A 91 -1.320 3.294 -21.507 1.00 0.00 N flip ATOM 0 H HIS A 91 2.116 5.207 -17.918 1.00 0.00 H new ATOM 0 HA HIS A 91 0.178 7.280 -17.988 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.857 7.132 -19.937 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.672 6.505 -20.521 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.135 4.713 -22.191 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.781 2.453 -20.128 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.337 2.623 -22.275 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.281 5.733 -16.760 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.027 4.862 -15.867 1.00 0.00 C ATOM 1473 C HIS A 92 -3.522 5.163 -15.988 1.00 0.00 C ATOM 1474 O HIS A 92 -3.967 6.261 -15.657 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.511 4.987 -14.432 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.286 4.166 -13.428 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.519 2.823 -13.365 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -2.923 4.725 -12.334 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.258 2.576 -12.289 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.509 3.754 -11.650 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.575 6.710 -16.747 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.877 3.822 -16.157 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.465 4.683 -14.405 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.546 6.035 -14.134 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.939 5.775 -12.081 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.603 1.603 -11.973 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.053 3.868 -10.795 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.256 4.168 -16.463 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.692 4.311 -16.631 1.00 0.00 C ATOM 1490 C LEU A 93 -6.343 2.926 -16.626 1.00 0.00 C ATOM 1491 O LEU A 93 -5.683 1.928 -16.342 1.00 0.00 O ATOM 1492 CB LEU A 93 -6.007 5.134 -17.881 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.010 5.006 -19.036 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -5.703 4.505 -20.305 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.269 6.324 -19.269 1.00 0.00 C ATOM 0 H LEU A 93 -3.883 3.259 -16.737 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.119 4.867 -15.796 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.993 4.844 -18.244 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.069 6.184 -17.595 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.263 4.261 -18.762 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.973 4.423 -21.110 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.146 3.527 -20.116 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.485 5.208 -20.594 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.567 6.206 -20.095 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.987 7.107 -19.513 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.724 6.600 -18.366 1.00 0.00 H new ATOM 1507 N MET A 94 -7.629 2.911 -16.944 1.00 0.00 N ATOM 1508 CA MET A 94 -8.376 1.665 -16.980 1.00 0.00 C ATOM 1509 C MET A 94 -8.926 1.396 -18.383 1.00 0.00 C ATOM 1510 O MET A 94 -9.617 2.238 -18.954 1.00 0.00 O ATOM 1511 CB MET A 94 -9.534 1.734 -15.983 1.00 0.00 C ATOM 1512 CG MET A 94 -10.654 0.768 -16.375 1.00 0.00 C ATOM 1513 SD MET A 94 -11.456 0.137 -14.911 1.00 0.00 S ATOM 1514 CE MET A 94 -10.338 -1.191 -14.494 1.00 0.00 C ATOM 0 H MET A 94 -8.173 3.741 -17.179 1.00 0.00 H new ATOM 0 HA MET A 94 -7.702 0.852 -16.711 1.00 0.00 H new ATOM 0 HB2 MET A 94 -9.173 1.491 -14.984 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.924 2.751 -15.943 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.381 1.278 -17.007 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.246 -0.056 -16.960 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.874 -2.140 -14.522 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.519 -1.216 -15.212 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.938 -1.029 -13.493 1.00 0.00 H new ATOM 1524 N VAL A 95 -8.599 0.219 -18.896 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.051 -0.171 -20.221 1.00 0.00 C ATOM 1526 C VAL A 95 -9.722 -1.544 -20.142 1.00 0.00 C ATOM 1527 O VAL A 95 -9.204 -2.455 -19.499 1.00 0.00 O ATOM 1528 CB VAL A 95 -7.882 -0.133 -21.206 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -8.220 -0.895 -22.489 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -7.473 1.309 -21.517 1.00 0.00 C ATOM 0 H VAL A 95 -8.027 -0.477 -18.418 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.794 0.534 -20.593 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.033 -0.629 -20.736 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.372 -0.852 -23.172 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.439 -1.935 -22.247 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.091 -0.441 -22.963 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.640 1.307 -22.220 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.317 1.840 -21.957 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.170 1.808 -20.596 1.00 0.00 H new ATOM 1540 N ARG A 96 -10.864 -1.648 -20.805 1.00 0.00 N ATOM 1541 CA ARG A 96 -11.611 -2.895 -20.818 1.00 0.00 C ATOM 1542 C ARG A 96 -11.784 -3.425 -19.393 1.00 0.00 C ATOM 1543 O ARG A 96 -11.702 -4.629 -19.161 1.00 0.00 O ATOM 1544 CB ARG A 96 -10.902 -3.953 -21.666 1.00 0.00 C ATOM 1545 CG ARG A 96 -11.070 -3.663 -23.159 1.00 0.00 C ATOM 1546 CD ARG A 96 -12.206 -4.498 -23.754 1.00 0.00 C ATOM 1547 NE ARG A 96 -13.174 -3.616 -24.445 1.00 0.00 N ATOM 1548 CZ ARG A 96 -14.304 -4.053 -25.041 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -14.618 -5.365 -25.036 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -15.096 -3.176 -25.630 1.00 0.00 N ATOM 0 H ARG A 96 -11.291 -0.890 -21.337 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.589 -2.691 -21.255 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.842 -3.976 -21.414 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.306 -4.939 -21.436 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.277 -2.603 -23.306 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.140 -3.882 -23.683 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.803 -5.229 -24.455 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.709 -5.057 -22.965 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.975 -2.616 -24.472 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.000 -6.036 -24.580 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.474 -5.686 -25.489 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.850 -2.186 -25.630 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.954 -3.488 -26.085 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.020 -2.499 -18.476 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.205 -2.857 -17.081 1.00 0.00 C ATOM 1565 C GLY A 97 -10.911 -3.407 -16.478 1.00 0.00 C ATOM 1566 O GLY A 97 -10.945 -4.171 -15.515 1.00 0.00 O ATOM 0 H GLY A 97 -12.087 -1.500 -18.672 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.529 -1.982 -16.518 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.996 -3.602 -16.995 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.799 -2.997 -17.072 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.495 -3.441 -16.606 1.00 0.00 C ATOM 1572 C VAL A 98 -7.567 -2.231 -16.478 1.00 0.00 C ATOM 1573 O VAL A 98 -7.484 -1.408 -17.389 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.946 -4.520 -17.541 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.417 -4.477 -17.589 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.443 -5.907 -17.128 1.00 0.00 C ATOM 0 H VAL A 98 -9.774 -2.363 -17.871 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.575 -3.896 -15.619 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.319 -4.316 -18.545 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.052 -5.254 -18.261 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.092 -3.502 -17.951 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.017 -4.644 -16.589 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.038 -6.656 -17.809 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.113 -6.124 -16.112 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.532 -5.930 -17.169 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.891 -2.162 -15.340 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.972 -1.068 -15.081 1.00 0.00 C ATOM 1588 C GLN A 99 -4.620 -1.341 -15.745 1.00 0.00 C ATOM 1589 O GLN A 99 -3.906 -2.262 -15.351 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.807 -0.835 -13.578 1.00 0.00 C ATOM 1591 CG GLN A 99 -7.165 -0.652 -12.900 1.00 0.00 C ATOM 1592 CD GLN A 99 -7.042 -0.787 -11.380 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -7.831 -1.719 -10.854 1.00 0.00 O flip ATOM 1594 NE2 GLN A 99 -6.281 -0.090 -10.729 1.00 0.00 N flip ATOM 0 H GLN A 99 -6.962 -2.847 -14.587 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.390 -0.159 -15.513 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.284 -1.680 -13.131 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.190 0.047 -13.409 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.571 0.328 -13.150 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.868 -1.394 -13.279 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.702 0.608 -11.197 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.223 -0.205 -9.717 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.310 -0.525 -16.741 1.00 0.00 N ATOM 1604 CA GLU A 100 -3.058 -0.667 -17.465 1.00 0.00 C ATOM 1605 C GLU A 100 -2.084 0.442 -17.062 1.00 0.00 C ATOM 1606 O GLU A 100 -2.265 1.598 -17.438 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.295 -0.667 -18.976 1.00 0.00 C ATOM 1608 CG GLU A 100 -1.970 -0.740 -19.738 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.206 -0.714 -21.250 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -1.903 0.293 -21.908 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -2.722 -1.790 -21.741 1.00 0.00 O ATOM 0 H GLU A 100 -4.905 0.238 -17.064 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.615 -1.627 -17.201 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.923 -1.515 -19.249 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.835 0.235 -19.263 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.334 0.098 -19.451 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.439 -1.652 -19.465 1.00 0.00 H new ATOM 1619 N LEU A 101 -1.071 0.048 -16.304 1.00 0.00 N ATOM 1620 CA LEU A 101 -0.068 0.995 -15.847 1.00 0.00 C ATOM 1621 C LEU A 101 1.190 0.853 -16.706 1.00 0.00 C ATOM 1622 O LEU A 101 1.776 -0.226 -16.781 1.00 0.00 O ATOM 1623 CB LEU A 101 0.188 0.823 -14.349 1.00 0.00 C ATOM 1624 CG LEU A 101 0.586 2.088 -13.586 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.580 1.843 -12.076 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.935 2.621 -14.075 1.00 0.00 C ATOM 0 H LEU A 101 -0.923 -0.913 -15.995 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.425 2.017 -15.970 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.713 0.415 -13.891 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.976 0.081 -14.218 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.158 2.858 -13.790 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.867 2.758 -11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.420 1.545 -11.760 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.289 1.051 -11.833 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.195 3.520 -13.517 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.703 1.863 -13.920 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.869 2.859 -15.137 1.00 0.00 H new ATOM 1638 N LEU A 102 1.569 1.957 -17.333 1.00 0.00 N ATOM 1639 CA LEU A 102 2.746 1.969 -18.184 1.00 0.00 C ATOM 1640 C LEU A 102 3.935 2.520 -17.395 1.00 0.00 C ATOM 1641 O LEU A 102 3.889 3.645 -16.901 1.00 0.00 O ATOM 1642 CB LEU A 102 2.463 2.730 -19.481 1.00 0.00 C ATOM 1643 CG LEU A 102 1.244 2.265 -20.279 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.457 2.479 -21.779 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.897 0.811 -19.952 1.00 0.00 C ATOM 0 H LEU A 102 1.081 2.850 -17.268 1.00 0.00 H new ATOM 0 HA LEU A 102 3.006 0.955 -18.487 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.333 3.785 -19.239 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.342 2.656 -20.122 1.00 0.00 H new ATOM 0 HG LEU A 102 0.390 2.875 -19.984 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.576 2.140 -22.324 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.620 3.539 -21.976 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.327 1.911 -22.108 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.027 0.505 -20.533 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.743 0.170 -20.201 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.674 0.720 -18.889 1.00 0.00 H new ATOM 1657 N LEU A 103 4.972 1.700 -17.299 1.00 0.00 N ATOM 1658 CA LEU A 103 6.171 2.091 -16.579 1.00 0.00 C ATOM 1659 C LEU A 103 7.317 2.290 -17.573 1.00 0.00 C ATOM 1660 O LEU A 103 7.589 1.415 -18.394 1.00 0.00 O ATOM 1661 CB LEU A 103 6.485 1.081 -15.473 1.00 0.00 C ATOM 1662 CG LEU A 103 5.663 1.215 -14.189 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.557 -0.127 -13.463 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.232 2.312 -13.286 1.00 0.00 C ATOM 0 H LEU A 103 5.006 0.766 -17.708 1.00 0.00 H new ATOM 0 HA LEU A 103 6.018 3.045 -16.074 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.338 0.077 -15.872 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.541 1.170 -15.216 1.00 0.00 H new ATOM 0 HG LEU A 103 4.651 1.514 -14.461 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.968 -0.004 -12.554 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.072 -0.855 -14.113 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.555 -0.480 -13.203 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.630 2.387 -12.381 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.260 2.067 -13.019 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.212 3.265 -13.815 1.00 0.00 H new ATOM 1676 N LYS A 104 7.957 3.444 -17.466 1.00 0.00 N ATOM 1677 CA LYS A 104 9.068 3.769 -18.345 1.00 0.00 C ATOM 1678 C LYS A 104 10.330 3.985 -17.508 1.00 0.00 C ATOM 1679 O LYS A 104 10.315 4.745 -16.541 1.00 0.00 O ATOM 1680 CB LYS A 104 8.712 4.958 -19.240 1.00 0.00 C ATOM 1681 CG LYS A 104 9.418 4.856 -20.593 1.00 0.00 C ATOM 1682 CD LYS A 104 10.886 5.272 -20.478 1.00 0.00 C ATOM 1683 CE LYS A 104 11.028 6.794 -20.496 1.00 0.00 C ATOM 1684 NZ LYS A 104 11.038 7.330 -19.116 1.00 0.00 N ATOM 0 H LYS A 104 7.728 4.167 -16.784 1.00 0.00 H new ATOM 0 HA LYS A 104 9.273 2.940 -19.022 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.633 4.994 -19.391 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.996 5.887 -18.746 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.354 3.833 -20.964 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.912 5.491 -21.320 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.309 4.875 -19.555 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.455 4.840 -21.301 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.949 7.073 -21.008 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.205 7.235 -21.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.214 7.949 -18.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.997 6.543 -18.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.910 7.875 -18.962 1.00 0.00 H new ATOM 1697 N LEU A 105 11.392 3.303 -17.910 1.00 0.00 N ATOM 1698 CA LEU A 105 12.660 3.410 -17.209 1.00 0.00 C ATOM 1699 C LEU A 105 13.657 4.174 -18.083 1.00 0.00 C ATOM 1700 O LEU A 105 13.863 3.826 -19.245 1.00 0.00 O ATOM 1701 CB LEU A 105 13.154 2.028 -16.778 1.00 0.00 C ATOM 1702 CG LEU A 105 14.431 2.004 -15.936 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.258 2.821 -14.655 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.869 0.567 -15.646 1.00 0.00 C ATOM 0 H LEU A 105 11.400 2.674 -18.713 1.00 0.00 H new ATOM 0 HA LEU A 105 12.539 3.980 -16.288 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.360 1.541 -16.212 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.321 1.429 -17.673 1.00 0.00 H new ATOM 0 HG LEU A 105 15.229 2.474 -16.511 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.180 2.787 -14.075 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.028 3.855 -14.911 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.442 2.404 -14.065 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.779 0.578 -15.046 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.080 0.049 -15.100 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.060 0.048 -16.585 1.00 0.00 H new ATOM 1716 N LEU A 106 14.250 5.200 -17.491 1.00 0.00 N ATOM 1717 CA LEU A 106 15.222 6.015 -18.200 1.00 0.00 C ATOM 1718 C LEU A 106 16.596 5.845 -17.549 1.00 0.00 C ATOM 1719 O LEU A 106 16.692 5.453 -16.387 1.00 0.00 O ATOM 1720 CB LEU A 106 14.750 7.469 -18.272 1.00 0.00 C ATOM 1721 CG LEU A 106 14.198 8.059 -16.974 1.00 0.00 C ATOM 1722 CD1 LEU A 106 12.825 7.471 -16.644 1.00 0.00 C ATOM 1723 CD2 LEU A 106 15.190 7.880 -15.824 1.00 0.00 C ATOM 0 H LEU A 106 14.076 5.486 -16.527 1.00 0.00 H new ATOM 0 HA LEU A 106 15.317 5.683 -19.234 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.586 8.086 -18.602 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.978 7.542 -19.038 1.00 0.00 H new ATOM 0 HG LEU A 106 14.063 9.131 -17.117 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.456 7.908 -15.716 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.129 7.695 -17.453 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.910 6.391 -16.528 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.772 8.309 -14.913 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.382 6.818 -15.671 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.124 8.386 -16.067 1.00 0.00 H new ATOM 1735 N PRO A 107 17.653 6.158 -18.347 1.00 0.00 N ATOM 1736 CA PRO A 107 19.017 6.043 -17.861 1.00 0.00 C ATOM 1737 C PRO A 107 19.356 7.189 -16.905 1.00 0.00 C ATOM 1738 O PRO A 107 19.771 8.263 -17.339 1.00 0.00 O ATOM 1739 CB PRO A 107 19.881 6.037 -19.111 1.00 0.00 C ATOM 1740 CG PRO A 107 19.014 6.614 -20.220 1.00 0.00 C ATOM 1741 CD PRO A 107 17.576 6.625 -19.728 1.00 0.00 C ATOM 0 HA PRO A 107 19.181 5.138 -17.276 1.00 0.00 H new ATOM 0 HB2 PRO A 107 20.780 6.636 -18.967 1.00 0.00 H new ATOM 0 HB3 PRO A 107 20.207 5.026 -19.356 1.00 0.00 H new ATOM 0 HG2 PRO A 107 19.339 7.623 -20.473 1.00 0.00 H new ATOM 0 HG3 PRO A 107 19.103 6.014 -21.126 1.00 0.00 H new ATOM 0 HD2 PRO A 107 17.146 7.625 -19.784 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.946 5.972 -20.332 1.00 0.00 H new ATOM 1749 N ASP A 108 19.166 6.921 -15.621 1.00 0.00 N ATOM 1750 CA ASP A 108 19.448 7.916 -14.600 1.00 0.00 C ATOM 1751 C ASP A 108 20.733 8.662 -14.961 1.00 0.00 C ATOM 1752 O ASP A 108 21.820 8.085 -14.930 1.00 0.00 O ATOM 1753 CB ASP A 108 19.650 7.260 -13.232 1.00 0.00 C ATOM 1754 CG ASP A 108 19.200 8.104 -12.038 1.00 0.00 C ATOM 1755 OD1 ASP A 108 20.012 8.785 -11.396 1.00 0.00 O ATOM 1756 OD2 ASP A 108 17.940 8.042 -11.771 1.00 0.00 O ATOM 0 H ASP A 108 18.820 6.030 -15.265 1.00 0.00 H new ATOM 0 HA ASP A 108 18.599 8.598 -14.551 1.00 0.00 H new ATOM 0 HB2 ASP A 108 19.107 6.315 -13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 108 20.707 7.022 -13.112 1.00 0.00 H new ATOM 1762 N ASP A 109 20.568 9.934 -15.296 1.00 0.00 N ATOM 1763 CA ASP A 109 21.703 10.765 -15.663 1.00 0.00 C ATOM 1764 C ASP A 109 21.673 12.052 -14.836 1.00 0.00 C ATOM 1765 O ASP A 109 20.785 12.885 -15.009 1.00 0.00 O ATOM 1766 CB ASP A 109 21.647 11.151 -17.142 1.00 0.00 C ATOM 1767 CG ASP A 109 22.614 12.261 -17.557 1.00 0.00 C ATOM 1768 OD1 ASP A 109 23.513 12.645 -16.792 1.00 0.00 O ATOM 1769 OD2 ASP A 109 22.416 12.744 -18.736 1.00 0.00 O ATOM 0 H ASP A 109 19.666 10.409 -15.321 1.00 0.00 H new ATOM 0 HA ASP A 109 22.614 10.197 -15.474 1.00 0.00 H new ATOM 0 HB2 ASP A 109 21.856 10.265 -17.741 1.00 0.00 H new ATOM 0 HB3 ASP A 109 20.631 11.466 -17.382 1.00 0.00 H new ATOM 1775 N ARG A 110 22.657 12.175 -13.956 1.00 0.00 N ATOM 1776 CA ARG A 110 22.757 13.347 -13.104 1.00 0.00 C ATOM 1777 C ARG A 110 24.194 13.871 -13.087 1.00 0.00 C ATOM 1778 O ARG A 110 25.138 13.110 -13.289 1.00 0.00 O ATOM 1779 CB ARG A 110 22.321 13.025 -11.672 1.00 0.00 C ATOM 1780 CG ARG A 110 23.278 12.026 -11.020 1.00 0.00 C ATOM 1781 CD ARG A 110 22.520 11.049 -10.119 1.00 0.00 C ATOM 1782 NE ARG A 110 23.476 10.185 -9.391 1.00 0.00 N ATOM 1783 CZ ARG A 110 23.160 9.457 -8.299 1.00 0.00 C ATOM 1784 NH1 ARG A 110 21.907 9.484 -7.798 1.00 0.00 N ATOM 1785 NH2 ARG A 110 24.095 8.720 -7.729 1.00 0.00 N ATOM 0 H ARG A 110 23.392 11.482 -13.815 1.00 0.00 H new ATOM 0 HA ARG A 110 22.094 14.110 -13.511 1.00 0.00 H new ATOM 0 HB2 ARG A 110 22.289 13.941 -11.083 1.00 0.00 H new ATOM 0 HB3 ARG A 110 21.311 12.615 -11.679 1.00 0.00 H new ATOM 0 HG2 ARG A 110 23.814 11.474 -11.792 1.00 0.00 H new ATOM 0 HG3 ARG A 110 24.025 12.562 -10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 110 21.902 11.600 -9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 110 21.847 10.436 -10.719 1.00 0.00 H new ATOM 0 HE ARG A 110 24.435 10.137 -9.736 1.00 0.00 H new ATOM 0 HH11 ARG A 110 21.191 10.057 -8.245 1.00 0.00 H new ATOM 0 HH12 ARG A 110 21.676 8.931 -6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 110 25.039 8.707 -8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 110 23.873 8.164 -6.903 1.00 0.00 H new ATOM 1798 N SER A 111 24.313 15.168 -12.844 1.00 0.00 N ATOM 1799 CA SER A 111 25.619 15.803 -12.797 1.00 0.00 C ATOM 1800 C SER A 111 26.184 15.733 -11.377 1.00 0.00 C ATOM 1801 O SER A 111 25.537 16.167 -10.425 1.00 0.00 O ATOM 1802 CB SER A 111 25.542 17.257 -13.266 1.00 0.00 C ATOM 1803 OG SER A 111 25.178 18.141 -12.209 1.00 0.00 O ATOM 0 H SER A 111 23.527 15.796 -12.678 1.00 0.00 H new ATOM 0 HA SER A 111 26.284 15.266 -13.473 1.00 0.00 H new ATOM 0 HB2 SER A 111 26.507 17.558 -13.674 1.00 0.00 H new ATOM 0 HB3 SER A 111 24.815 17.339 -14.074 1.00 0.00 H new ATOM 0 HG SER A 111 25.015 17.625 -11.392 1.00 0.00 H new ATOM 1809 N PRO A 112 27.417 15.169 -11.275 1.00 0.00 N ATOM 1810 CA PRO A 112 28.077 15.037 -9.987 1.00 0.00 C ATOM 1811 C PRO A 112 28.617 16.386 -9.507 1.00 0.00 C ATOM 1812 O PRO A 112 29.403 17.027 -10.202 1.00 0.00 O ATOM 1813 CB PRO A 112 29.171 14.005 -10.210 1.00 0.00 C ATOM 1814 CG PRO A 112 29.385 13.941 -11.713 1.00 0.00 C ATOM 1815 CD PRO A 112 28.215 14.644 -12.381 1.00 0.00 C ATOM 0 HA PRO A 112 27.398 14.715 -9.197 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.089 14.292 -9.697 1.00 0.00 H new ATOM 0 HB3 PRO A 112 28.876 13.032 -9.816 1.00 0.00 H new ATOM 0 HG2 PRO A 112 30.325 14.421 -11.985 1.00 0.00 H new ATOM 0 HG3 PRO A 112 29.448 12.905 -12.046 1.00 0.00 H new ATOM 0 HD2 PRO A 112 28.556 15.444 -13.038 1.00 0.00 H new ATOM 0 HD3 PRO A 112 27.636 13.954 -12.994 1.00 0.00 H new ATOM 1823 N GLY A 113 28.173 16.775 -8.321 1.00 0.00 N ATOM 1824 CA GLY A 113 28.603 18.035 -7.738 1.00 0.00 C ATOM 1825 C GLY A 113 28.562 17.975 -6.210 1.00 0.00 C ATOM 1826 O GLY A 113 27.949 17.076 -5.637 1.00 0.00 O ATOM 0 H GLY A 113 27.520 16.240 -7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 113 29.615 18.266 -8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 113 27.960 18.841 -8.091 1.00 0.00 H new ATOM 1830 N ILE A 114 29.221 18.945 -5.592 1.00 0.00 N ATOM 1831 CA ILE A 114 29.266 19.013 -4.143 1.00 0.00 C ATOM 1832 C ILE A 114 28.899 20.429 -3.692 1.00 0.00 C ATOM 1833 O ILE A 114 29.342 21.409 -4.289 1.00 0.00 O ATOM 1834 CB ILE A 114 30.625 18.536 -3.625 1.00 0.00 C ATOM 1835 CG1 ILE A 114 30.799 17.033 -3.849 1.00 0.00 C ATOM 1836 CG2 ILE A 114 30.820 18.924 -2.159 1.00 0.00 C ATOM 1837 CD1 ILE A 114 29.648 16.247 -3.217 1.00 0.00 C ATOM 0 H ILE A 114 29.728 19.690 -6.070 1.00 0.00 H new ATOM 0 HA ILE A 114 28.530 18.337 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 114 31.405 19.039 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 114 30.843 16.824 -4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 114 31.746 16.705 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 114 31.793 18.573 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 114 30.770 20.008 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 114 30.036 18.468 -1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 114 29.796 15.181 -3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 114 29.622 16.439 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 114 28.705 16.560 -3.665 1.00 0.00 H new ATOM 1849 N HIS A 115 28.095 20.491 -2.640 1.00 0.00 N ATOM 1850 CA HIS A 115 27.663 21.770 -2.103 1.00 0.00 C ATOM 1851 C HIS A 115 27.711 21.727 -0.575 1.00 0.00 C ATOM 1852 O HIS A 115 26.748 21.314 0.069 1.00 0.00 O ATOM 1853 CB HIS A 115 26.283 22.149 -2.642 1.00 0.00 C ATOM 1854 CG HIS A 115 25.902 23.590 -2.399 1.00 0.00 C ATOM 1855 ND1 HIS A 115 26.058 24.209 -1.172 1.00 0.00 N ATOM 1856 CD2 HIS A 115 25.371 24.525 -3.238 1.00 0.00 C ATOM 1857 CE1 HIS A 115 25.637 25.460 -1.278 1.00 0.00 C ATOM 1858 NE2 HIS A 115 25.211 25.654 -2.559 1.00 0.00 N ATOM 0 H HIS A 115 27.732 19.676 -2.146 1.00 0.00 H new ATOM 0 HA HIS A 115 28.344 22.555 -2.432 1.00 0.00 H new ATOM 0 HB2 HIS A 115 26.257 21.953 -3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 115 25.535 21.504 -2.182 1.00 0.00 H new ATOM 0 HD2 HIS A 115 25.123 24.373 -4.278 1.00 0.00 H new ATOM 0 HE1 HIS A 115 25.632 26.197 -0.489 1.00 0.00 H new ATOM 0 HE2 HIS A 115 24.832 26.524 -2.934 1.00 0.00 H new ATOM 1866 N ARG A 116 28.844 22.158 -0.038 1.00 0.00 N ATOM 1867 CA ARG A 116 29.030 22.174 1.403 1.00 0.00 C ATOM 1868 C ARG A 116 28.013 23.110 2.060 1.00 0.00 C ATOM 1869 O ARG A 116 27.595 24.098 1.458 1.00 0.00 O ATOM 1870 CB ARG A 116 30.444 22.628 1.771 1.00 0.00 C ATOM 1871 CG ARG A 116 30.855 22.085 3.140 1.00 0.00 C ATOM 1872 CD ARG A 116 32.301 22.464 3.469 1.00 0.00 C ATOM 1873 NE ARG A 116 33.173 21.273 3.358 1.00 0.00 N ATOM 1874 CZ ARG A 116 33.834 20.919 2.235 1.00 0.00 C ATOM 1875 NH1 ARG A 116 33.726 21.664 1.114 1.00 0.00 N ATOM 1876 NH2 ARG A 116 34.586 19.834 2.250 1.00 0.00 N ATOM 0 H ARG A 116 29.642 22.498 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 116 28.881 21.158 1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 116 31.149 22.285 1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 116 30.490 23.717 1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 116 30.188 22.480 3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 116 30.748 21.000 3.152 1.00 0.00 H new ATOM 0 HD2 ARG A 116 32.646 23.242 2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 116 32.358 22.874 4.477 1.00 0.00 H new ATOM 0 HE ARG A 116 33.281 20.682 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 116 33.142 22.500 1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 116 34.228 21.390 0.269 1.00 0.00 H new ATOM 0 HH21 ARG A 116 34.661 19.277 3.101 1.00 0.00 H new ATOM 0 HH22 ARG A 116 35.092 19.553 1.410 1.00 0.00 H new ATOM 1889 N ASP A 117 27.646 22.767 3.286 1.00 0.00 N ATOM 1890 CA ASP A 117 26.687 23.565 4.031 1.00 0.00 C ATOM 1891 C ASP A 117 27.270 24.959 4.273 1.00 0.00 C ATOM 1892 O ASP A 117 26.590 25.837 4.802 1.00 0.00 O ATOM 1893 CB ASP A 117 26.386 22.935 5.393 1.00 0.00 C ATOM 1894 CG ASP A 117 25.777 23.886 6.424 1.00 0.00 C ATOM 1895 OD1 ASP A 117 24.549 24.022 6.522 1.00 0.00 O ATOM 1896 OD2 ASP A 117 26.632 24.514 7.159 1.00 0.00 O ATOM 0 H ASP A 117 27.995 21.947 3.782 1.00 0.00 H new ATOM 0 HA ASP A 117 25.768 23.619 3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 117 25.704 22.097 5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 117 27.311 22.526 5.800 1.00 0.00 H new TER 1902 ASP A 117