USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 967 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 NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 129 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 129 ZNZN :(H bumps) USER MOD NoAdj-H: A 113 HIS HE2 : A 113 HIS NE2 : A 130 ZNZN :(H bumps) USER MOD NoAdj-H: A 119 HIS HD1 : A 119 HIS ND1 : A 130 ZNZN :(H bumps) USER MOD Set 1.1: A 69 ASN : amide:sc= 0.942 K(o=3.1,f=-4.4) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 162:sc= 2.18 (180deg=1.04) USER MOD Set 2.1: A 47 SER OG : rot -151:sc= 1.63 USER MOD Set 2.2: A 48 GLN : amide:sc= 0.403 K(o=2,f=1.2) USER MOD Set 3.1: A 32 SER OG : rot 180:sc= 0.13 USER MOD Set 3.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.0528 X(o=-0.053,f=-0.15) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= 1.28 (180deg=0.894) USER MOD Single : A 21 ASN : amide:sc= 0.932 K(o=0.93,f=-5.6!) USER MOD Single : A 22 SER OG : rot 77:sc= 0.756 USER MOD Single : A 27 ASN : amide:sc= 0.789 K(o=0.79,f=-0.024) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0.322 K(o=0.32,f=-2.5!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0.881 (180deg=0.87) USER MOD Single : A 40 SER OG : rot -3:sc= 0.0676 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.17) USER MOD Single : A 53 TYR OH : rot -163:sc= 0.61 USER MOD Single : A 54 GLN : amide:sc= 1.35 K(o=1.4,f=-0.88) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 0.918 (180deg=0.913) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -169:sc= 2.26 (180deg=2.08) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -34:sc= 0.272 USER MOD Single : A 95 LYS NZ :NH3+ 166:sc= 1.1 (180deg=0.939) USER MOD Single : A 96 CYS SG : rot 28:sc= 0.275 USER MOD Single : A 101 ASN : amide:sc=-0.00611 K(o=-0.0061,f=-0.68) USER MOD Single : A 102 MET CE :methyl 166:sc= -0.102 (180deg=-0.304) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00635 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 86:sc= 1.16 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0102) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 0.777 K(o=0.78,f=-0.044) USER MOD Single : A 128 GLN : amide:sc= 0.872 K(o=0.87,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -5.731 12.266 30.776 1.00 1.00 N ATOM 2 CA ALA A 2 -6.009 13.662 30.410 1.00 1.00 C ATOM 3 C ALA A 2 -6.212 13.885 28.888 1.00 1.00 C ATOM 4 O ALA A 2 -6.290 15.029 28.435 1.00 1.00 O ATOM 5 CB ALA A 2 -4.866 14.525 30.967 1.00 1.00 C ATOM 0 HA ALA A 2 -6.963 13.953 30.849 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -5.042 15.570 30.712 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -4.824 14.418 32.051 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -3.920 14.200 30.533 1.00 1.00 H new ATOM 11 N ASP A 3 -6.293 12.810 28.092 1.00 1.00 N ATOM 12 CA ASP A 3 -6.450 12.857 26.624 1.00 1.00 C ATOM 13 C ASP A 3 -7.451 11.808 26.077 1.00 1.00 C ATOM 14 O ASP A 3 -7.524 11.565 24.875 1.00 1.00 O ATOM 15 CB ASP A 3 -5.053 12.723 25.987 1.00 1.00 C ATOM 16 CG ASP A 3 -5.022 13.126 24.501 1.00 1.00 C ATOM 17 OD1 ASP A 3 -5.430 14.267 24.171 1.00 1.00 O ATOM 18 OD2 ASP A 3 -4.535 12.326 23.667 1.00 1.00 O ATOM 0 H ASP A 3 -6.251 11.858 28.456 1.00 1.00 H new ATOM 0 HA ASP A 3 -6.892 13.815 26.350 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -4.348 13.344 26.540 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -4.714 11.692 26.084 1.00 1.00 H new ATOM 23 N GLU A 4 -8.243 11.177 26.953 1.00 1.00 N ATOM 24 CA GLU A 4 -9.256 10.164 26.591 1.00 1.00 C ATOM 25 C GLU A 4 -10.508 10.726 25.876 1.00 1.00 C ATOM 26 O GLU A 4 -11.351 9.962 25.400 1.00 1.00 O ATOM 27 CB GLU A 4 -9.649 9.361 27.846 1.00 1.00 C ATOM 28 CG GLU A 4 -10.342 10.197 28.935 1.00 1.00 C ATOM 29 CD GLU A 4 -10.724 9.317 30.141 1.00 1.00 C ATOM 30 OE1 GLU A 4 -9.880 9.126 31.050 1.00 1.00 O ATOM 31 OE2 GLU A 4 -11.874 8.814 30.194 1.00 1.00 O ATOM 0 H GLU A 4 -8.200 11.357 27.956 1.00 1.00 H new ATOM 0 HA GLU A 4 -8.788 9.512 25.853 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -10.312 8.547 27.551 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -8.753 8.905 28.268 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -9.680 11.000 29.260 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -11.236 10.667 28.525 1.00 1.00 H new ATOM 38 N PHE A 5 -10.641 12.056 25.797 1.00 1.00 N ATOM 39 CA PHE A 5 -11.758 12.759 25.154 1.00 1.00 C ATOM 40 C PHE A 5 -11.683 12.713 23.610 1.00 1.00 C ATOM 41 O PHE A 5 -10.630 12.439 23.024 1.00 1.00 O ATOM 42 CB PHE A 5 -11.753 14.209 25.675 1.00 1.00 C ATOM 43 CG PHE A 5 -12.969 15.033 25.293 1.00 1.00 C ATOM 44 CD1 PHE A 5 -14.212 14.775 25.901 1.00 1.00 C ATOM 45 CD2 PHE A 5 -12.862 16.055 24.329 1.00 1.00 C ATOM 46 CE1 PHE A 5 -15.343 15.532 25.547 1.00 1.00 C ATOM 47 CE2 PHE A 5 -13.993 16.813 23.977 1.00 1.00 C ATOM 48 CZ PHE A 5 -15.234 16.553 24.585 1.00 1.00 C ATOM 0 H PHE A 5 -9.950 12.694 26.193 1.00 1.00 H new ATOM 0 HA PHE A 5 -12.693 12.261 25.410 1.00 1.00 H new ATOM 0 HB2 PHE A 5 -11.674 14.188 26.762 1.00 1.00 H new ATOM 0 HB3 PHE A 5 -10.861 14.711 25.300 1.00 1.00 H new ATOM 0 HD1 PHE A 5 -14.297 13.993 26.641 1.00 1.00 H new ATOM 0 HD2 PHE A 5 -11.910 16.256 23.860 1.00 1.00 H new ATOM 0 HE1 PHE A 5 -16.296 15.330 26.014 1.00 1.00 H new ATOM 0 HE2 PHE A 5 -13.908 17.596 23.238 1.00 1.00 H new ATOM 0 HZ PHE A 5 -16.102 17.136 24.314 1.00 1.00 H new ATOM 58 N GLY A 6 -12.801 13.007 22.936 1.00 1.00 N ATOM 59 CA GLY A 6 -12.906 13.033 21.472 1.00 1.00 C ATOM 60 C GLY A 6 -14.219 13.641 20.960 1.00 1.00 C ATOM 61 O GLY A 6 -15.136 13.927 21.735 1.00 1.00 O ATOM 0 H GLY A 6 -13.677 13.239 23.403 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -12.070 13.602 21.066 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -12.814 12.016 21.092 1.00 1.00 H new ATOM 65 N ASN A 7 -14.306 13.831 19.640 1.00 1.00 N ATOM 66 CA ASN A 7 -15.451 14.418 18.927 1.00 1.00 C ATOM 67 C ASN A 7 -15.699 13.713 17.572 1.00 1.00 C ATOM 68 O ASN A 7 -14.947 12.817 17.178 1.00 1.00 O ATOM 69 CB ASN A 7 -15.182 15.929 18.721 1.00 1.00 C ATOM 70 CG ASN A 7 -15.048 16.713 20.018 1.00 1.00 C ATOM 71 OD1 ASN A 7 -13.957 17.012 20.483 1.00 1.00 O ATOM 72 ND2 ASN A 7 -16.147 17.090 20.634 1.00 1.00 N ATOM 0 H ASN A 7 -13.548 13.569 19.009 1.00 1.00 H new ATOM 0 HA ASN A 7 -16.353 14.280 19.524 1.00 1.00 H new ATOM 0 HB2 ASN A 7 -14.268 16.049 18.139 1.00 1.00 H new ATOM 0 HB3 ASN A 7 -15.994 16.356 18.132 1.00 1.00 H new ATOM 0 HD21 ASN A 7 -16.088 17.630 21.497 1.00 1.00 H new ATOM 0 HD22 ASN A 7 -17.058 16.842 20.249 1.00 1.00 H new ATOM 79 N GLY A 8 -16.744 14.136 16.853 1.00 1.00 N ATOM 80 CA GLY A 8 -17.148 13.639 15.529 1.00 1.00 C ATOM 81 C GLY A 8 -18.228 14.524 14.888 1.00 1.00 C ATOM 82 O GLY A 8 -18.737 15.450 15.529 1.00 1.00 O ATOM 0 H GLY A 8 -17.364 14.871 17.194 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -16.277 13.599 14.875 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -17.523 12.620 15.623 1.00 1.00 H new ATOM 86 N ASP A 9 -18.588 14.256 13.629 1.00 1.00 N ATOM 87 CA ASP A 9 -19.604 15.015 12.875 1.00 1.00 C ATOM 88 C ASP A 9 -20.375 14.127 11.875 1.00 1.00 C ATOM 89 O ASP A 9 -19.804 13.215 11.270 1.00 1.00 O ATOM 90 CB ASP A 9 -18.913 16.180 12.146 1.00 1.00 C ATOM 91 CG ASP A 9 -19.906 17.106 11.422 1.00 1.00 C ATOM 92 OD1 ASP A 9 -20.944 17.474 12.023 1.00 1.00 O ATOM 93 OD2 ASP A 9 -19.641 17.487 10.256 1.00 1.00 O ATOM 0 H ASP A 9 -18.177 13.493 13.091 1.00 1.00 H new ATOM 0 HA ASP A 9 -20.341 15.399 13.580 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -18.339 16.763 12.866 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -18.203 15.779 11.422 1.00 1.00 H new ATOM 98 N ALA A 10 -21.675 14.392 11.701 1.00 1.00 N ATOM 99 CA ALA A 10 -22.575 13.656 10.810 1.00 1.00 C ATOM 100 C ALA A 10 -22.176 13.772 9.321 1.00 1.00 C ATOM 101 O ALA A 10 -22.325 14.829 8.697 1.00 1.00 O ATOM 102 CB ALA A 10 -24.011 14.138 11.062 1.00 1.00 C ATOM 0 H ALA A 10 -22.144 15.151 12.195 1.00 1.00 H new ATOM 0 HA ALA A 10 -22.500 12.593 11.038 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -24.696 13.600 10.406 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -24.281 13.950 12.101 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -24.077 15.207 10.858 1.00 1.00 H new ATOM 108 N LEU A 11 -21.676 12.670 8.754 1.00 1.00 N ATOM 109 CA LEU A 11 -21.222 12.495 7.378 1.00 1.00 C ATOM 110 C LEU A 11 -21.221 10.979 7.073 1.00 1.00 C ATOM 111 O LEU A 11 -21.460 10.152 7.956 1.00 1.00 O ATOM 112 CB LEU A 11 -19.811 13.132 7.274 1.00 1.00 C ATOM 113 CG LEU A 11 -19.189 13.268 5.871 1.00 1.00 C ATOM 114 CD1 LEU A 11 -20.067 14.062 4.903 1.00 1.00 C ATOM 115 CD2 LEU A 11 -17.838 13.974 5.974 1.00 1.00 C ATOM 0 H LEU A 11 -21.571 11.810 9.292 1.00 1.00 H new ATOM 0 HA LEU A 11 -21.868 12.980 6.646 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -19.858 14.126 7.718 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -19.130 12.541 7.887 1.00 1.00 H new ATOM 0 HG LEU A 11 -19.083 12.256 5.480 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -19.575 14.123 3.932 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -21.029 13.562 4.791 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -20.223 15.067 5.294 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -17.400 14.069 4.980 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -17.977 14.965 6.405 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -17.171 13.392 6.610 1.00 1.00 H new ATOM 127 N ASP A 12 -20.933 10.597 5.831 1.00 1.00 N ATOM 128 CA ASP A 12 -20.820 9.190 5.389 1.00 1.00 C ATOM 129 C ASP A 12 -19.602 8.441 5.985 1.00 1.00 C ATOM 130 O ASP A 12 -19.505 7.213 5.946 1.00 1.00 O ATOM 131 CB ASP A 12 -20.804 9.159 3.853 1.00 1.00 C ATOM 132 CG ASP A 12 -20.929 7.736 3.281 1.00 1.00 C ATOM 133 OD1 ASP A 12 -21.983 7.088 3.492 1.00 1.00 O ATOM 134 OD2 ASP A 12 -19.995 7.278 2.579 1.00 1.00 O ATOM 0 H ASP A 12 -20.766 11.265 5.079 1.00 1.00 H new ATOM 0 HA ASP A 12 -21.687 8.651 5.770 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -21.623 9.771 3.474 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -19.878 9.609 3.495 1.00 1.00 H new ATOM 139 N LEU A 13 -18.694 9.213 6.576 1.00 1.00 N ATOM 140 CA LEU A 13 -17.481 8.796 7.291 1.00 1.00 C ATOM 141 C LEU A 13 -17.812 8.368 8.744 1.00 1.00 C ATOM 142 O LEU A 13 -18.895 8.703 9.240 1.00 1.00 O ATOM 143 CB LEU A 13 -16.503 9.995 7.305 1.00 1.00 C ATOM 144 CG LEU A 13 -15.607 10.125 6.060 1.00 1.00 C ATOM 145 CD1 LEU A 13 -16.367 10.372 4.756 1.00 1.00 C ATOM 146 CD2 LEU A 13 -14.647 11.295 6.265 1.00 1.00 C ATOM 0 H LEU A 13 -18.791 10.228 6.569 1.00 1.00 H new ATOM 0 HA LEU A 13 -17.035 7.938 6.788 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -17.080 10.913 7.415 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -15.865 9.913 8.185 1.00 1.00 H new ATOM 0 HG LEU A 13 -15.096 9.168 5.957 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -15.659 10.451 3.931 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -17.050 9.543 4.570 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -16.935 11.299 4.836 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -14.006 11.398 5.389 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -15.217 12.213 6.407 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -14.031 11.111 7.145 1.00 1.00 H new ATOM 158 N PRO A 14 -16.903 7.666 9.459 1.00 1.00 N ATOM 159 CA PRO A 14 -17.098 7.305 10.869 1.00 1.00 C ATOM 160 C PRO A 14 -17.477 8.523 11.739 1.00 1.00 C ATOM 161 O PRO A 14 -17.011 9.638 11.493 1.00 1.00 O ATOM 162 CB PRO A 14 -15.778 6.663 11.318 1.00 1.00 C ATOM 163 CG PRO A 14 -15.179 6.137 10.019 1.00 1.00 C ATOM 164 CD PRO A 14 -15.607 7.187 8.997 1.00 1.00 C ATOM 0 HA PRO A 14 -17.934 6.615 10.986 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -15.121 7.389 11.798 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -15.946 5.861 12.037 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -14.094 6.051 10.080 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -15.563 5.148 9.768 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -14.884 8.000 8.942 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -15.680 6.757 7.998 1.00 1.00 H new ATOM 172 N VAL A 15 -18.328 8.311 12.750 1.00 1.00 N ATOM 173 CA VAL A 15 -18.865 9.375 13.634 1.00 1.00 C ATOM 174 C VAL A 15 -18.799 9.025 15.132 1.00 1.00 C ATOM 175 O VAL A 15 -19.508 9.581 15.971 1.00 1.00 O ATOM 176 CB VAL A 15 -20.266 9.792 13.118 1.00 1.00 C ATOM 177 CG1 VAL A 15 -21.324 8.693 13.290 1.00 1.00 C ATOM 178 CG2 VAL A 15 -20.802 11.102 13.711 1.00 1.00 C ATOM 0 H VAL A 15 -18.674 7.382 12.988 1.00 1.00 H new ATOM 0 HA VAL A 15 -18.218 10.250 13.577 1.00 1.00 H new ATOM 0 HB VAL A 15 -20.094 9.960 12.055 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -22.282 9.047 12.910 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -21.020 7.805 12.736 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -21.423 8.445 14.347 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -21.786 11.315 13.293 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -20.880 11.006 14.794 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -20.121 11.917 13.467 1.00 1.00 H new ATOM 188 N GLY A 16 -17.914 8.095 15.483 1.00 1.00 N ATOM 189 CA GLY A 16 -17.688 7.649 16.859 1.00 1.00 C ATOM 190 C GLY A 16 -16.752 6.446 16.970 1.00 1.00 C ATOM 191 O GLY A 16 -16.398 5.815 15.968 1.00 1.00 O ATOM 0 H GLY A 16 -17.320 7.619 14.805 1.00 1.00 H new ATOM 0 HA2 GLY A 16 -17.273 8.475 17.436 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.647 7.395 17.311 1.00 1.00 H new ATOM 195 N LYS A 17 -16.362 6.119 18.207 1.00 1.00 N ATOM 196 CA LYS A 17 -15.458 5.001 18.530 1.00 1.00 C ATOM 197 C LYS A 17 -15.948 3.653 17.995 1.00 1.00 C ATOM 198 O LYS A 17 -15.136 2.871 17.511 1.00 1.00 O ATOM 199 CB LYS A 17 -15.210 4.983 20.050 1.00 1.00 C ATOM 200 CG LYS A 17 -14.248 3.862 20.476 1.00 1.00 C ATOM 201 CD LYS A 17 -13.792 4.030 21.929 1.00 1.00 C ATOM 202 CE LYS A 17 -12.872 2.860 22.288 1.00 1.00 C ATOM 203 NZ LYS A 17 -12.321 2.980 23.661 1.00 1.00 N ATOM 0 H LYS A 17 -16.671 6.633 19.032 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.510 5.165 18.017 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -14.802 5.945 20.360 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -16.161 4.858 20.569 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.739 2.896 20.358 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -13.378 3.860 19.819 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -13.267 4.977 22.054 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -14.654 4.053 22.596 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -13.426 1.925 22.201 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -12.051 2.812 21.572 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -11.966 2.054 23.975 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -11.542 3.669 23.663 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -13.069 3.301 24.308 1.00 1.00 H new ATOM 217 N ASP A 18 -17.254 3.388 18.034 1.00 1.00 N ATOM 218 CA ASP A 18 -17.848 2.143 17.520 1.00 1.00 C ATOM 219 C ASP A 18 -17.611 1.962 16.009 1.00 1.00 C ATOM 220 O ASP A 18 -17.208 0.881 15.570 1.00 1.00 O ATOM 221 CB ASP A 18 -19.351 2.118 17.828 1.00 1.00 C ATOM 222 CG ASP A 18 -19.631 2.043 19.337 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.580 0.928 19.909 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.906 3.100 19.954 1.00 1.00 O ATOM 0 H ASP A 18 -17.939 4.034 18.426 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.355 1.311 18.024 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.820 3.012 17.417 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.808 1.262 17.332 1.00 1.00 H new ATOM 229 N ALA A 19 -17.809 3.022 15.214 1.00 1.00 N ATOM 230 CA ALA A 19 -17.568 2.995 13.770 1.00 1.00 C ATOM 231 C ALA A 19 -16.073 2.847 13.457 1.00 1.00 C ATOM 232 O ALA A 19 -15.701 2.024 12.620 1.00 1.00 O ATOM 233 CB ALA A 19 -18.133 4.268 13.128 1.00 1.00 C ATOM 0 H ALA A 19 -18.142 3.923 15.557 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.077 2.127 13.350 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -17.952 4.245 12.053 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.206 4.324 13.314 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.644 5.141 13.560 1.00 1.00 H new ATOM 239 N VAL A 20 -15.210 3.606 14.146 1.00 1.00 N ATOM 240 CA VAL A 20 -13.749 3.522 13.970 1.00 1.00 C ATOM 241 C VAL A 20 -13.235 2.124 14.331 1.00 1.00 C ATOM 242 O VAL A 20 -12.459 1.544 13.575 1.00 1.00 O ATOM 243 CB VAL A 20 -13.023 4.617 14.777 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.503 4.426 14.739 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.340 6.005 14.203 1.00 1.00 C ATOM 0 H VAL A 20 -15.501 4.295 14.840 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.527 3.696 12.917 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.374 4.540 15.806 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -11.023 5.215 15.318 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.247 3.456 15.166 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.156 4.471 13.707 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.820 6.766 14.784 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -13.011 6.053 13.165 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.414 6.182 14.252 1.00 1.00 H new ATOM 255 N ASN A 21 -13.695 1.543 15.445 1.00 1.00 N ATOM 256 CA ASN A 21 -13.321 0.190 15.844 1.00 1.00 C ATOM 257 C ASN A 21 -13.763 -0.833 14.786 1.00 1.00 C ATOM 258 O ASN A 21 -12.946 -1.638 14.349 1.00 1.00 O ATOM 259 CB ASN A 21 -13.947 -0.091 17.220 1.00 1.00 C ATOM 260 CG ASN A 21 -13.800 -1.541 17.635 1.00 1.00 C ATOM 261 OD1 ASN A 21 -12.711 -2.040 17.882 1.00 1.00 O ATOM 262 ND2 ASN A 21 -14.888 -2.272 17.692 1.00 1.00 N ATOM 0 H ASN A 21 -14.337 2.001 16.092 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.237 0.100 15.920 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -13.477 0.548 17.968 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -15.005 0.172 17.196 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -14.827 -3.259 17.943 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -15.795 -1.853 17.486 1.00 1.00 H new ATOM 269 N SER A 22 -15.014 -0.769 14.314 1.00 1.00 N ATOM 270 CA SER A 22 -15.520 -1.677 13.270 1.00 1.00 C ATOM 271 C SER A 22 -14.710 -1.562 11.975 1.00 1.00 C ATOM 272 O SER A 22 -14.328 -2.577 11.395 1.00 1.00 O ATOM 273 CB SER A 22 -17.002 -1.406 12.980 1.00 1.00 C ATOM 274 OG SER A 22 -17.791 -1.565 14.151 1.00 1.00 O ATOM 0 H SER A 22 -15.703 -0.091 14.641 1.00 1.00 H new ATOM 0 HA SER A 22 -15.410 -2.692 13.651 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.121 -0.394 12.593 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.354 -2.087 12.205 1.00 1.00 H new ATOM 0 HG SER A 22 -17.677 -0.783 14.731 1.00 1.00 H new ATOM 280 N LEU A 23 -14.383 -0.335 11.553 1.00 1.00 N ATOM 281 CA LEU A 23 -13.553 -0.057 10.377 1.00 1.00 C ATOM 282 C LEU A 23 -12.162 -0.701 10.504 1.00 1.00 C ATOM 283 O LEU A 23 -11.672 -1.281 9.532 1.00 1.00 O ATOM 284 CB LEU A 23 -13.485 1.473 10.203 1.00 1.00 C ATOM 285 CG LEU A 23 -12.773 1.970 8.935 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.530 1.579 7.665 1.00 1.00 C ATOM 287 CD2 LEU A 23 -12.696 3.495 8.983 1.00 1.00 C ATOM 0 H LEU A 23 -14.695 0.510 12.031 1.00 1.00 H new ATOM 0 HA LEU A 23 -13.995 -0.501 9.485 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.502 1.866 10.204 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -12.979 1.896 11.071 1.00 1.00 H new ATOM 0 HG LEU A 23 -11.784 1.513 8.907 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -12.992 1.950 6.792 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.609 0.493 7.608 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.529 2.015 7.688 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -12.193 3.862 8.089 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -13.703 3.909 9.028 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -12.137 3.803 9.866 1.00 1.00 H new ATOM 299 N ILE A 24 -11.556 -0.654 11.697 1.00 1.00 N ATOM 300 CA ILE A 24 -10.275 -1.309 11.995 1.00 1.00 C ATOM 301 C ILE A 24 -10.428 -2.839 11.918 1.00 1.00 C ATOM 302 O ILE A 24 -9.620 -3.489 11.256 1.00 1.00 O ATOM 303 CB ILE A 24 -9.727 -0.850 13.373 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.279 0.631 13.325 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.546 -1.727 13.828 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.114 1.253 14.720 1.00 1.00 C ATOM 0 H ILE A 24 -11.947 -0.153 12.494 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.544 -1.010 11.244 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.539 -0.956 14.092 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.333 0.702 12.787 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.011 1.208 12.760 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.186 -1.379 14.796 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.874 -2.763 13.914 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.741 -1.661 13.096 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.799 2.292 14.620 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.065 1.212 15.252 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.361 0.697 15.279 1.00 1.00 H new ATOM 318 N ARG A 25 -11.455 -3.435 12.553 1.00 1.00 N ATOM 319 CA ARG A 25 -11.673 -4.901 12.532 1.00 1.00 C ATOM 320 C ARG A 25 -11.929 -5.453 11.126 1.00 1.00 C ATOM 321 O ARG A 25 -11.400 -6.507 10.774 1.00 1.00 O ATOM 322 CB ARG A 25 -12.786 -5.341 13.499 1.00 1.00 C ATOM 323 CG ARG A 25 -12.576 -4.925 14.963 1.00 1.00 C ATOM 324 CD ARG A 25 -11.181 -5.093 15.587 1.00 1.00 C ATOM 325 NE ARG A 25 -10.996 -4.108 16.671 1.00 1.00 N ATOM 326 CZ ARG A 25 -9.867 -3.542 17.054 1.00 1.00 C ATOM 327 NH1 ARG A 25 -8.698 -3.970 16.686 1.00 1.00 N ATOM 328 NH2 ARG A 25 -9.910 -2.499 17.823 1.00 1.00 N ATOM 0 H ARG A 25 -12.153 -2.923 13.092 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.735 -5.334 12.879 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -13.733 -4.927 13.152 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -12.877 -6.426 13.455 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -12.853 -3.874 15.051 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -13.280 -5.492 15.572 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -11.067 -6.104 15.978 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -10.413 -4.958 14.825 1.00 1.00 H new ATOM 0 HE ARG A 25 -11.835 -3.834 17.182 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -8.622 -4.781 16.072 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -7.856 -3.496 17.011 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -10.810 -2.125 18.125 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -9.044 -2.053 18.126 1.00 1.00 H new ATOM 342 N GLU A 26 -12.710 -4.743 10.313 1.00 1.00 N ATOM 343 CA GLU A 26 -13.029 -5.126 8.927 1.00 1.00 C ATOM 344 C GLU A 26 -11.852 -4.947 7.943 1.00 1.00 C ATOM 345 O GLU A 26 -11.895 -5.488 6.837 1.00 1.00 O ATOM 346 CB GLU A 26 -14.250 -4.325 8.437 1.00 1.00 C ATOM 347 CG GLU A 26 -15.551 -4.789 9.107 1.00 1.00 C ATOM 348 CD GLU A 26 -16.765 -4.013 8.558 1.00 1.00 C ATOM 349 OE1 GLU A 26 -17.309 -4.406 7.496 1.00 1.00 O ATOM 350 OE2 GLU A 26 -17.198 -3.017 9.187 1.00 1.00 O ATOM 0 H GLU A 26 -13.150 -3.868 10.599 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.250 -6.193 8.944 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.095 -3.266 8.642 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.342 -4.430 7.356 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.691 -5.857 8.937 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -15.480 -4.644 10.185 1.00 1.00 H new ATOM 357 N ASN A 27 -10.803 -4.205 8.325 1.00 1.00 N ATOM 358 CA ASN A 27 -9.627 -3.910 7.493 1.00 1.00 C ATOM 359 C ASN A 27 -8.298 -4.094 8.260 1.00 1.00 C ATOM 360 O ASN A 27 -7.352 -3.323 8.080 1.00 1.00 O ATOM 361 CB ASN A 27 -9.769 -2.489 6.920 1.00 1.00 C ATOM 362 CG ASN A 27 -11.022 -2.281 6.090 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.072 -2.582 4.905 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.066 -1.754 6.688 1.00 1.00 N ATOM 0 H ASN A 27 -10.747 -3.780 9.251 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.589 -4.628 6.673 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -9.768 -1.775 7.743 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -8.897 -2.268 6.305 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -12.926 -1.593 6.164 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.016 -1.506 7.676 1.00 1.00 H new ATOM 371 N SER A 28 -8.225 -5.103 9.135 1.00 1.00 N ATOM 372 CA SER A 28 -7.064 -5.407 9.994 1.00 1.00 C ATOM 373 C SER A 28 -5.713 -5.550 9.267 1.00 1.00 C ATOM 374 O SER A 28 -4.654 -5.407 9.882 1.00 1.00 O ATOM 375 CB SER A 28 -7.350 -6.661 10.826 1.00 1.00 C ATOM 376 OG SER A 28 -7.583 -7.783 9.986 1.00 1.00 O ATOM 0 H SER A 28 -8.997 -5.756 9.273 1.00 1.00 H new ATOM 0 HA SER A 28 -6.944 -4.529 10.629 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.507 -6.865 11.486 1.00 1.00 H new ATOM 0 HB3 SER A 28 -8.219 -6.491 11.462 1.00 1.00 H new ATOM 0 HG SER A 28 -7.762 -8.573 10.538 1.00 1.00 H new ATOM 382 N HIS A 29 -5.731 -5.803 7.954 1.00 1.00 N ATOM 383 CA HIS A 29 -4.553 -5.911 7.086 1.00 1.00 C ATOM 384 C HIS A 29 -3.915 -4.554 6.730 1.00 1.00 C ATOM 385 O HIS A 29 -2.737 -4.524 6.364 1.00 1.00 O ATOM 386 CB HIS A 29 -4.954 -6.674 5.810 1.00 1.00 C ATOM 387 CG HIS A 29 -6.020 -6.007 4.967 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.305 -5.649 5.396 1.00 1.00 N ATOM 389 CD2 HIS A 29 -5.899 -5.690 3.645 1.00 1.00 C ATOM 390 CE1 HIS A 29 -7.920 -5.117 4.325 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.097 -5.126 3.262 1.00 1.00 N ATOM 0 H HIS A 29 -6.604 -5.944 7.445 1.00 1.00 H new ATOM 0 HA HIS A 29 -3.786 -6.453 7.639 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.064 -6.816 5.196 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.306 -7.665 6.095 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -5.033 -5.850 3.020 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -8.931 -4.737 4.320 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -7.321 -4.775 2.331 1.00 1.00 H new ATOM 399 N ILE A 30 -4.656 -3.443 6.849 1.00 1.00 N ATOM 400 CA ILE A 30 -4.205 -2.072 6.516 1.00 1.00 C ATOM 401 C ILE A 30 -4.459 -1.021 7.608 1.00 1.00 C ATOM 402 O ILE A 30 -3.786 0.011 7.611 1.00 1.00 O ATOM 403 CB ILE A 30 -4.807 -1.594 5.173 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.350 -1.687 5.162 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.159 -2.354 4.004 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.022 -1.115 3.908 1.00 1.00 C ATOM 0 H ILE A 30 -5.617 -3.468 7.190 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.122 -2.157 6.431 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.577 -0.536 5.050 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.637 -2.733 5.265 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.737 -1.163 6.035 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -4.589 -2.010 3.063 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.085 -2.169 4.001 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.343 -3.422 4.118 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.103 -1.225 3.992 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -6.771 -0.059 3.811 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -6.670 -1.654 3.028 1.00 1.00 H new ATOM 418 N PHE A 31 -5.374 -1.270 8.546 1.00 1.00 N ATOM 419 CA PHE A 31 -5.698 -0.384 9.670 1.00 1.00 C ATOM 420 C PHE A 31 -5.543 -1.157 10.986 1.00 1.00 C ATOM 421 O PHE A 31 -5.898 -2.334 11.074 1.00 1.00 O ATOM 422 CB PHE A 31 -7.155 0.111 9.565 1.00 1.00 C ATOM 423 CG PHE A 31 -7.611 0.822 8.298 1.00 1.00 C ATOM 424 CD1 PHE A 31 -6.720 1.526 7.464 1.00 1.00 C ATOM 425 CD2 PHE A 31 -8.978 0.781 7.962 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.182 2.105 6.267 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.441 1.362 6.769 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.538 2.009 5.911 1.00 1.00 C ATOM 0 H PHE A 31 -5.931 -2.124 8.546 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.022 0.470 9.644 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.805 -0.752 9.708 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.333 0.787 10.402 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.681 1.622 7.743 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.678 0.298 8.628 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.492 2.625 5.620 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.489 1.311 6.513 1.00 1.00 H new ATOM 0 HZ PHE A 31 -8.884 2.432 4.980 1.00 1.00 H new ATOM 438 N SER A 32 -5.038 -0.497 12.026 1.00 1.00 N ATOM 439 CA SER A 32 -4.870 -1.065 13.367 1.00 1.00 C ATOM 440 C SER A 32 -5.091 -0.008 14.450 1.00 1.00 C ATOM 441 O SER A 32 -5.219 1.188 14.169 1.00 1.00 O ATOM 442 CB SER A 32 -3.489 -1.723 13.518 1.00 1.00 C ATOM 443 OG SER A 32 -2.484 -0.771 13.823 1.00 1.00 O ATOM 0 H SER A 32 -4.726 0.472 11.961 1.00 1.00 H new ATOM 0 HA SER A 32 -5.629 -1.837 13.496 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.529 -2.475 14.306 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.230 -2.242 12.595 1.00 1.00 H new ATOM 0 HG SER A 32 -1.620 -1.225 13.913 1.00 1.00 H new ATOM 449 N ASP A 33 -5.111 -0.445 15.710 1.00 1.00 N ATOM 450 CA ASP A 33 -5.255 0.436 16.871 1.00 1.00 C ATOM 451 C ASP A 33 -4.065 1.403 17.061 1.00 1.00 C ATOM 452 O ASP A 33 -4.162 2.326 17.872 1.00 1.00 O ATOM 453 CB ASP A 33 -5.446 -0.413 18.135 1.00 1.00 C ATOM 454 CG ASP A 33 -6.736 -1.229 18.063 1.00 1.00 C ATOM 455 OD1 ASP A 33 -7.827 -0.660 18.300 1.00 1.00 O ATOM 456 OD2 ASP A 33 -6.675 -2.439 17.745 1.00 1.00 O ATOM 0 H ASP A 33 -5.027 -1.431 15.956 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.131 1.059 16.690 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -4.595 -1.083 18.258 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -5.471 0.235 19.011 1.00 1.00 H new ATOM 461 N THR A 34 -2.954 1.195 16.341 1.00 1.00 N ATOM 462 CA THR A 34 -1.716 1.989 16.456 1.00 1.00 C ATOM 463 C THR A 34 -1.087 2.434 15.130 1.00 1.00 C ATOM 464 O THR A 34 -0.073 3.134 15.164 1.00 1.00 O ATOM 465 CB THR A 34 -0.657 1.249 17.297 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.383 -0.024 16.743 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.099 1.048 18.747 1.00 1.00 C ATOM 0 H THR A 34 -2.886 0.453 15.645 1.00 1.00 H new ATOM 0 HA THR A 34 -2.040 2.903 16.954 1.00 1.00 H new ATOM 0 HB THR A 34 0.234 1.877 17.284 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.292 -0.479 17.288 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.318 0.522 19.296 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.278 2.018 19.211 1.00 1.00 H new ATOM 0 HG23 THR A 34 -2.017 0.460 18.770 1.00 1.00 H new ATOM 475 N GLN A 35 -1.639 2.086 13.959 1.00 1.00 N ATOM 476 CA GLN A 35 -1.087 2.496 12.656 1.00 1.00 C ATOM 477 C GLN A 35 -2.100 2.387 11.497 1.00 1.00 C ATOM 478 O GLN A 35 -2.895 1.450 11.436 1.00 1.00 O ATOM 479 CB GLN A 35 0.131 1.591 12.349 1.00 1.00 C ATOM 480 CG GLN A 35 0.970 2.031 11.135 1.00 1.00 C ATOM 481 CD GLN A 35 2.154 1.097 10.882 1.00 1.00 C ATOM 482 OE1 GLN A 35 2.018 -0.114 10.759 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.362 1.613 10.781 1.00 1.00 N ATOM 0 H GLN A 35 -2.480 1.513 13.886 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.812 3.548 12.729 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.776 1.562 13.228 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.223 0.574 12.180 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.336 2.060 10.249 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.337 3.044 11.297 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.497 2.619 10.880 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.163 1.006 10.603 1.00 1.00 H new ATOM 492 N CYS A 36 -1.994 3.300 10.525 1.00 1.00 N ATOM 493 CA CYS A 36 -2.739 3.270 9.260 1.00 1.00 C ATOM 494 C CYS A 36 -1.727 3.137 8.110 1.00 1.00 C ATOM 495 O CYS A 36 -0.928 4.048 7.874 1.00 1.00 O ATOM 496 CB CYS A 36 -3.577 4.547 9.094 1.00 1.00 C ATOM 497 SG CYS A 36 -4.507 4.613 7.538 1.00 1.00 S ATOM 0 H CYS A 36 -1.370 4.103 10.598 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.425 2.423 9.254 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.275 4.624 9.928 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.918 5.413 9.150 1.00 1.00 H new ATOM 502 N LYS A 37 -1.746 2.014 7.380 1.00 1.00 N ATOM 503 CA LYS A 37 -0.818 1.745 6.262 1.00 1.00 C ATOM 504 C LYS A 37 -1.177 2.497 4.980 1.00 1.00 C ATOM 505 O LYS A 37 -0.279 2.877 4.235 1.00 1.00 O ATOM 506 CB LYS A 37 -0.763 0.242 5.960 1.00 1.00 C ATOM 507 CG LYS A 37 -0.337 -0.605 7.167 1.00 1.00 C ATOM 508 CD LYS A 37 -0.112 -2.049 6.708 1.00 1.00 C ATOM 509 CE LYS A 37 0.007 -3.002 7.902 1.00 1.00 C ATOM 510 NZ LYS A 37 -0.049 -4.418 7.458 1.00 1.00 N ATOM 0 H LYS A 37 -2.410 1.257 7.546 1.00 1.00 H new ATOM 0 HA LYS A 37 0.157 2.106 6.591 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.744 -0.089 5.621 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.067 0.069 5.139 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.576 -0.203 7.606 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.104 -0.571 7.941 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -0.939 -2.363 6.071 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.794 -2.104 6.105 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.944 -2.818 8.427 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -0.798 -2.807 8.610 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 0.101 -5.044 8.275 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -0.980 -4.614 7.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.693 -4.589 6.749 1.00 1.00 H new ATOM 524 N VAL A 38 -2.466 2.751 4.728 1.00 1.00 N ATOM 525 CA VAL A 38 -2.927 3.514 3.544 1.00 1.00 C ATOM 526 C VAL A 38 -2.350 4.932 3.554 1.00 1.00 C ATOM 527 O VAL A 38 -1.909 5.434 2.519 1.00 1.00 O ATOM 528 CB VAL A 38 -4.467 3.543 3.469 1.00 1.00 C ATOM 529 CG1 VAL A 38 -4.997 4.478 2.378 1.00 1.00 C ATOM 530 CG2 VAL A 38 -5.003 2.139 3.175 1.00 1.00 C ATOM 0 H VAL A 38 -3.225 2.437 5.333 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.561 3.007 2.652 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.809 3.911 4.436 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -6.087 4.454 2.376 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.657 5.495 2.573 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.625 4.151 1.407 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -6.091 2.168 3.124 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.604 1.789 2.223 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.695 1.458 3.969 1.00 1.00 H new ATOM 540 N CYS A 39 -2.310 5.560 4.731 1.00 1.00 N ATOM 541 CA CYS A 39 -1.771 6.898 4.962 1.00 1.00 C ATOM 542 C CYS A 39 -0.329 6.873 5.519 1.00 1.00 C ATOM 543 O CYS A 39 0.205 7.922 5.879 1.00 1.00 O ATOM 544 CB CYS A 39 -2.745 7.598 5.910 1.00 1.00 C ATOM 545 SG CYS A 39 -4.442 7.685 5.269 1.00 1.00 S ATOM 0 H CYS A 39 -2.668 5.130 5.584 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.687 7.441 4.021 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.752 7.072 6.865 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.387 8.609 6.106 1.00 1.00 H new ATOM 550 N SER A 40 0.287 5.682 5.594 1.00 1.00 N ATOM 551 CA SER A 40 1.627 5.379 6.133 1.00 1.00 C ATOM 552 C SER A 40 1.989 6.219 7.368 1.00 1.00 C ATOM 553 O SER A 40 3.001 6.929 7.396 1.00 1.00 O ATOM 554 CB SER A 40 2.702 5.487 5.039 1.00 1.00 C ATOM 555 OG SER A 40 2.427 4.619 3.950 1.00 1.00 O ATOM 0 H SER A 40 -0.174 4.838 5.253 1.00 1.00 H new ATOM 0 HA SER A 40 1.593 4.345 6.477 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.756 6.515 4.681 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.677 5.245 5.461 1.00 1.00 H new ATOM 0 HG SER A 40 1.629 4.086 4.150 1.00 1.00 H new ATOM 561 N ALA A 41 1.125 6.162 8.383 1.00 1.00 N ATOM 562 CA ALA A 41 1.234 6.957 9.608 1.00 1.00 C ATOM 563 C ALA A 41 0.941 6.154 10.885 1.00 1.00 C ATOM 564 O ALA A 41 0.049 5.302 10.920 1.00 1.00 O ATOM 565 CB ALA A 41 0.276 8.151 9.486 1.00 1.00 C ATOM 0 H ALA A 41 0.311 5.547 8.376 1.00 1.00 H new ATOM 0 HA ALA A 41 2.267 7.291 9.707 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.338 8.761 10.387 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.553 8.753 8.621 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.744 7.788 9.363 1.00 1.00 H new ATOM 571 N VAL A 42 1.686 6.460 11.949 1.00 1.00 N ATOM 572 CA VAL A 42 1.547 5.850 13.283 1.00 1.00 C ATOM 573 C VAL A 42 0.509 6.634 14.100 1.00 1.00 C ATOM 574 O VAL A 42 0.339 7.844 13.935 1.00 1.00 O ATOM 575 CB VAL A 42 2.918 5.798 13.998 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.857 5.155 15.390 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.926 4.976 13.179 1.00 1.00 C ATOM 0 H VAL A 42 2.427 7.160 11.910 1.00 1.00 H new ATOM 0 HA VAL A 42 1.196 4.823 13.181 1.00 1.00 H new ATOM 0 HB VAL A 42 3.224 6.840 14.097 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.853 5.152 15.833 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.179 5.725 16.025 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.496 4.130 15.302 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.884 4.952 13.699 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.553 3.959 13.058 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.057 5.434 12.198 1.00 1.00 H new ATOM 587 N LEU A 43 -0.196 5.927 14.981 1.00 1.00 N ATOM 588 CA LEU A 43 -1.296 6.397 15.824 1.00 1.00 C ATOM 589 C LEU A 43 -0.983 6.042 17.289 1.00 1.00 C ATOM 590 O LEU A 43 -1.550 5.117 17.867 1.00 1.00 O ATOM 591 CB LEU A 43 -2.611 5.780 15.287 1.00 1.00 C ATOM 592 CG LEU A 43 -2.906 6.093 13.804 1.00 1.00 C ATOM 593 CD1 LEU A 43 -4.060 5.238 13.284 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.248 7.568 13.603 1.00 1.00 C ATOM 0 H LEU A 43 0.000 4.938 15.136 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.417 7.480 15.791 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.569 4.698 15.416 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.441 6.141 15.894 1.00 1.00 H new ATOM 0 HG LEU A 43 -2.001 5.860 13.243 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.248 5.478 12.237 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.800 4.183 13.374 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.957 5.442 13.869 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.450 7.754 12.548 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -4.130 7.820 14.192 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.408 8.183 13.926 1.00 1.00 H new ATOM 606 N ILE A 44 -0.004 6.753 17.863 1.00 1.00 N ATOM 607 CA ILE A 44 0.563 6.538 19.212 1.00 1.00 C ATOM 608 C ILE A 44 -0.439 6.434 20.383 1.00 1.00 C ATOM 609 O ILE A 44 -0.101 5.846 21.412 1.00 1.00 O ATOM 610 CB ILE A 44 1.645 7.600 19.526 1.00 1.00 C ATOM 611 CG1 ILE A 44 1.071 9.038 19.536 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.823 7.464 18.543 1.00 1.00 C ATOM 613 CD1 ILE A 44 2.068 10.100 20.014 1.00 1.00 C ATOM 0 H ILE A 44 0.440 7.534 17.380 1.00 1.00 H new ATOM 0 HA ILE A 44 0.998 5.541 19.148 1.00 1.00 H new ATOM 0 HB ILE A 44 2.013 7.413 20.535 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.738 9.293 18.530 1.00 1.00 H new ATOM 0 HG13 ILE A 44 0.191 9.063 20.179 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.578 8.216 18.773 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.261 6.470 18.635 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.465 7.610 17.524 1.00 1.00 H new ATOM 0 HD11 ILE A 44 1.593 11.081 19.993 1.00 1.00 H new ATOM 0 HD12 ILE A 44 2.383 9.871 21.032 1.00 1.00 H new ATOM 0 HD13 ILE A 44 2.938 10.104 19.357 1.00 1.00 H new ATOM 625 N SER A 45 -1.658 6.960 20.227 1.00 1.00 N ATOM 626 CA SER A 45 -2.736 6.926 21.230 1.00 1.00 C ATOM 627 C SER A 45 -4.103 6.778 20.559 1.00 1.00 C ATOM 628 O SER A 45 -4.281 7.151 19.397 1.00 1.00 O ATOM 629 CB SER A 45 -2.750 8.220 22.063 1.00 1.00 C ATOM 630 OG SER A 45 -1.520 8.427 22.743 1.00 1.00 O ATOM 0 H SER A 45 -1.935 7.439 19.370 1.00 1.00 H new ATOM 0 HA SER A 45 -2.545 6.069 21.876 1.00 1.00 H new ATOM 0 HB2 SER A 45 -2.951 9.069 21.410 1.00 1.00 H new ATOM 0 HB3 SER A 45 -3.563 8.176 22.788 1.00 1.00 H new ATOM 0 HG SER A 45 -1.568 9.259 23.259 1.00 1.00 H new ATOM 636 N GLU A 46 -5.099 6.278 21.299 1.00 1.00 N ATOM 637 CA GLU A 46 -6.474 6.119 20.800 1.00 1.00 C ATOM 638 C GLU A 46 -7.071 7.443 20.297 1.00 1.00 C ATOM 639 O GLU A 46 -7.766 7.451 19.286 1.00 1.00 O ATOM 640 CB GLU A 46 -7.344 5.471 21.889 1.00 1.00 C ATOM 641 CG GLU A 46 -8.794 5.291 21.426 1.00 1.00 C ATOM 642 CD GLU A 46 -9.529 4.242 22.267 1.00 1.00 C ATOM 643 OE1 GLU A 46 -10.095 4.590 23.330 1.00 1.00 O ATOM 644 OE2 GLU A 46 -9.574 3.063 21.844 1.00 1.00 O ATOM 0 H GLU A 46 -4.976 5.971 22.264 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.450 5.459 19.933 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -6.926 4.501 22.159 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.323 6.089 22.787 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.319 6.244 21.493 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -8.807 4.992 20.378 1.00 1.00 H new ATOM 651 N SER A 47 -6.752 8.576 20.929 1.00 1.00 N ATOM 652 CA SER A 47 -7.191 9.903 20.472 1.00 1.00 C ATOM 653 C SER A 47 -6.728 10.214 19.044 1.00 1.00 C ATOM 654 O SER A 47 -7.487 10.770 18.247 1.00 1.00 O ATOM 655 CB SER A 47 -6.667 10.978 21.425 1.00 1.00 C ATOM 656 OG SER A 47 -5.248 10.942 21.492 1.00 1.00 O ATOM 0 H SER A 47 -6.181 8.602 21.774 1.00 1.00 H new ATOM 0 HA SER A 47 -8.281 9.899 20.469 1.00 1.00 H new ATOM 0 HB2 SER A 47 -6.995 11.961 21.088 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.087 10.826 22.419 1.00 1.00 H new ATOM 0 HG SER A 47 -4.954 11.255 22.373 1.00 1.00 H new ATOM 662 N GLN A 48 -5.502 9.805 18.692 1.00 1.00 N ATOM 663 CA GLN A 48 -4.943 9.976 17.352 1.00 1.00 C ATOM 664 C GLN A 48 -5.667 9.065 16.361 1.00 1.00 C ATOM 665 O GLN A 48 -6.021 9.512 15.274 1.00 1.00 O ATOM 666 CB GLN A 48 -3.429 9.692 17.329 1.00 1.00 C ATOM 667 CG GLN A 48 -2.624 10.426 18.413 1.00 1.00 C ATOM 668 CD GLN A 48 -2.878 11.934 18.444 1.00 1.00 C ATOM 669 OE1 GLN A 48 -2.411 12.687 17.598 1.00 1.00 O ATOM 670 NE2 GLN A 48 -3.628 12.437 19.404 1.00 1.00 N ATOM 0 H GLN A 48 -4.866 9.341 19.340 1.00 1.00 H new ATOM 0 HA GLN A 48 -5.090 11.015 17.059 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.272 8.619 17.442 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.035 9.970 16.351 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -2.871 10.004 19.387 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -1.561 10.248 18.249 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -4.024 11.823 20.116 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -3.812 13.440 19.435 1.00 1.00 H new ATOM 679 N LYS A 49 -5.939 7.807 16.743 1.00 1.00 N ATOM 680 CA LYS A 49 -6.683 6.849 15.904 1.00 1.00 C ATOM 681 C LYS A 49 -8.102 7.354 15.622 1.00 1.00 C ATOM 682 O LYS A 49 -8.528 7.391 14.470 1.00 1.00 O ATOM 683 CB LYS A 49 -6.608 5.430 16.531 1.00 1.00 C ATOM 684 CG LYS A 49 -7.919 4.812 17.056 1.00 1.00 C ATOM 685 CD LYS A 49 -7.682 3.442 17.706 1.00 1.00 C ATOM 686 CE LYS A 49 -8.987 2.931 18.327 1.00 1.00 C ATOM 687 NZ LYS A 49 -8.772 1.781 19.244 1.00 1.00 N ATOM 0 H LYS A 49 -5.650 7.423 17.643 1.00 1.00 H new ATOM 0 HA LYS A 49 -6.218 6.767 14.922 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -6.194 4.754 15.783 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.898 5.465 17.358 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.373 5.486 17.783 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.626 4.707 16.233 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.321 2.733 16.961 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -6.910 3.521 18.472 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.467 3.742 18.874 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.671 2.634 17.532 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.655 1.572 19.752 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.483 0.947 18.693 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -8.027 2.018 19.929 1.00 1.00 H new ATOM 701 N LEU A 50 -8.804 7.807 16.660 1.00 1.00 N ATOM 702 CA LEU A 50 -10.160 8.354 16.564 1.00 1.00 C ATOM 703 C LEU A 50 -10.211 9.598 15.667 1.00 1.00 C ATOM 704 O LEU A 50 -11.130 9.725 14.861 1.00 1.00 O ATOM 705 CB LEU A 50 -10.722 8.607 17.981 1.00 1.00 C ATOM 706 CG LEU A 50 -11.047 7.313 18.763 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.598 7.631 20.152 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.092 6.439 18.072 1.00 1.00 C ATOM 0 H LEU A 50 -8.439 7.805 17.613 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.804 7.621 16.079 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -9.999 9.192 18.549 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.627 9.209 17.901 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.100 6.776 18.818 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -11.817 6.702 20.678 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -10.859 8.201 20.715 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.512 8.217 20.055 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.275 5.547 18.672 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -13.020 6.999 17.963 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.728 6.146 17.088 1.00 1.00 H new ATOM 720 N ALA A 51 -9.230 10.499 15.755 1.00 1.00 N ATOM 721 CA ALA A 51 -9.152 11.662 14.870 1.00 1.00 C ATOM 722 C ALA A 51 -8.784 11.286 13.421 1.00 1.00 C ATOM 723 O ALA A 51 -9.434 11.744 12.480 1.00 1.00 O ATOM 724 CB ALA A 51 -8.156 12.663 15.466 1.00 1.00 C ATOM 0 H ALA A 51 -8.473 10.444 16.436 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.140 12.118 14.807 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -8.086 13.537 14.818 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.497 12.971 16.454 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.176 12.194 15.550 1.00 1.00 H new ATOM 730 N HIS A 52 -7.761 10.446 13.227 1.00 1.00 N ATOM 731 CA HIS A 52 -7.282 10.030 11.907 1.00 1.00 C ATOM 732 C HIS A 52 -8.348 9.280 11.098 1.00 1.00 C ATOM 733 O HIS A 52 -8.622 9.654 9.960 1.00 1.00 O ATOM 734 CB HIS A 52 -6.011 9.180 12.068 1.00 1.00 C ATOM 735 CG HIS A 52 -5.337 8.850 10.759 1.00 1.00 C ATOM 736 ND1 HIS A 52 -4.229 9.481 10.230 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.727 7.899 9.852 1.00 1.00 C ATOM 738 CE1 HIS A 52 -3.972 8.940 9.026 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.867 7.977 8.752 1.00 1.00 N ATOM 0 H HIS A 52 -7.235 10.030 13.996 1.00 1.00 H new ATOM 0 HA HIS A 52 -7.050 10.930 11.338 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.306 9.713 12.706 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.267 8.252 12.580 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.697 10.229 10.676 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.552 7.212 9.967 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -3.164 9.237 8.374 1.00 1.00 H new ATOM 747 N TYR A 53 -8.982 8.251 11.671 1.00 1.00 N ATOM 748 CA TYR A 53 -9.996 7.461 10.961 1.00 1.00 C ATOM 749 C TYR A 53 -11.295 8.238 10.660 1.00 1.00 C ATOM 750 O TYR A 53 -12.009 7.881 9.723 1.00 1.00 O ATOM 751 CB TYR A 53 -10.242 6.138 11.702 1.00 1.00 C ATOM 752 CG TYR A 53 -9.051 5.183 11.693 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.510 4.744 10.468 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.483 4.723 12.898 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.396 3.881 10.446 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.374 3.855 12.883 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.825 3.435 11.656 1.00 1.00 C ATOM 758 OH TYR A 53 -5.759 2.592 11.643 1.00 1.00 O ATOM 0 H TYR A 53 -8.810 7.944 12.629 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.597 7.230 9.973 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.509 6.358 12.736 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -11.099 5.636 11.252 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -8.953 5.071 9.539 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.902 5.039 13.842 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -6.979 3.561 9.502 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.945 3.511 13.812 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.661 2.175 12.524 1.00 1.00 H new ATOM 768 N GLN A 54 -11.590 9.322 11.393 1.00 1.00 N ATOM 769 CA GLN A 54 -12.741 10.200 11.119 1.00 1.00 C ATOM 770 C GLN A 54 -12.396 11.351 10.146 1.00 1.00 C ATOM 771 O GLN A 54 -13.302 11.994 9.612 1.00 1.00 O ATOM 772 CB GLN A 54 -13.274 10.796 12.431 1.00 1.00 C ATOM 773 CG GLN A 54 -13.976 9.763 13.323 1.00 1.00 C ATOM 774 CD GLN A 54 -14.570 10.430 14.557 1.00 1.00 C ATOM 775 OE1 GLN A 54 -15.770 10.638 14.673 1.00 1.00 O ATOM 776 NE2 GLN A 54 -13.753 10.792 15.517 1.00 1.00 N ATOM 0 H GLN A 54 -11.035 9.617 12.197 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.501 9.580 10.644 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.446 11.241 12.983 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -13.972 11.601 12.200 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.764 9.264 12.759 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -13.265 8.994 13.626 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -12.752 10.621 15.426 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -14.119 11.244 16.355 1.00 1.00 H new ATOM 785 N SER A 55 -11.107 11.637 9.920 1.00 1.00 N ATOM 786 CA SER A 55 -10.636 12.725 9.049 1.00 1.00 C ATOM 787 C SER A 55 -11.052 12.567 7.581 1.00 1.00 C ATOM 788 O SER A 55 -10.982 11.479 6.999 1.00 1.00 O ATOM 789 CB SER A 55 -9.108 12.831 9.121 1.00 1.00 C ATOM 790 OG SER A 55 -8.656 13.900 8.304 1.00 1.00 O ATOM 0 H SER A 55 -10.346 11.108 10.346 1.00 1.00 H new ATOM 0 HA SER A 55 -11.111 13.632 9.422 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.795 12.993 10.152 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.655 11.895 8.794 1.00 1.00 H new ATOM 0 HG SER A 55 -7.679 13.962 8.357 1.00 1.00 H new ATOM 796 N ARG A 56 -11.422 13.690 6.946 1.00 1.00 N ATOM 797 CA ARG A 56 -11.759 13.749 5.513 1.00 1.00 C ATOM 798 C ARG A 56 -10.554 13.391 4.634 1.00 1.00 C ATOM 799 O ARG A 56 -10.728 12.768 3.585 1.00 1.00 O ATOM 800 CB ARG A 56 -12.329 15.144 5.189 1.00 1.00 C ATOM 801 CG ARG A 56 -13.022 15.255 3.820 1.00 1.00 C ATOM 802 CD ARG A 56 -14.261 14.352 3.709 1.00 1.00 C ATOM 803 NE ARG A 56 -15.050 14.653 2.497 1.00 1.00 N ATOM 804 CZ ARG A 56 -16.006 15.558 2.367 1.00 1.00 C ATOM 805 NH1 ARG A 56 -16.362 16.345 3.343 1.00 1.00 N ATOM 806 NH2 ARG A 56 -16.629 15.694 1.232 1.00 1.00 N ATOM 0 H ARG A 56 -11.497 14.592 7.416 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.521 13.002 5.289 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -13.043 15.419 5.965 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -11.518 15.871 5.230 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -13.315 16.291 3.648 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -12.313 14.991 3.036 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -13.950 13.308 3.690 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -14.887 14.482 4.592 1.00 1.00 H new ATOM 0 HE ARG A 56 -14.833 14.101 1.667 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -15.898 16.276 4.249 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -17.104 17.030 3.201 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -16.380 15.102 0.440 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -17.366 16.393 1.135 1.00 1.00 H new ATOM 820 N LYS A 57 -9.333 13.724 5.077 1.00 1.00 N ATOM 821 CA LYS A 57 -8.082 13.389 4.374 1.00 1.00 C ATOM 822 C LYS A 57 -7.864 11.875 4.310 1.00 1.00 C ATOM 823 O LYS A 57 -7.516 11.368 3.246 1.00 1.00 O ATOM 824 CB LYS A 57 -6.896 14.117 5.035 1.00 1.00 C ATOM 825 CG LYS A 57 -5.538 13.884 4.345 1.00 1.00 C ATOM 826 CD LYS A 57 -5.510 14.318 2.870 1.00 1.00 C ATOM 827 CE LYS A 57 -4.101 14.141 2.291 1.00 1.00 C ATOM 828 NZ LYS A 57 -4.043 14.549 0.862 1.00 1.00 N ATOM 0 H LYS A 57 -9.183 14.240 5.944 1.00 1.00 H new ATOM 0 HA LYS A 57 -8.157 13.734 3.343 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -7.104 15.187 5.047 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -6.822 13.795 6.074 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -4.766 14.428 4.889 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -5.286 12.825 4.408 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -6.224 13.727 2.296 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -5.818 15.360 2.784 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -3.392 14.734 2.869 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -3.796 13.099 2.385 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -3.076 14.417 0.502 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -4.702 13.966 0.307 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -4.310 15.550 0.776 1.00 1.00 H new ATOM 842 N HIS A 58 -8.127 11.149 5.402 1.00 1.00 N ATOM 843 CA HIS A 58 -8.036 9.680 5.433 1.00 1.00 C ATOM 844 C HIS A 58 -8.999 9.061 4.414 1.00 1.00 C ATOM 845 O HIS A 58 -8.577 8.245 3.599 1.00 1.00 O ATOM 846 CB HIS A 58 -8.309 9.157 6.851 1.00 1.00 C ATOM 847 CG HIS A 58 -8.452 7.653 6.925 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.403 6.737 7.028 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.630 6.968 6.854 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.974 5.523 7.018 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.310 5.629 6.919 1.00 1.00 N ATOM 0 H HIS A 58 -8.409 11.561 6.291 1.00 1.00 H new ATOM 0 HA HIS A 58 -7.024 9.384 5.156 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.496 9.469 7.507 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -9.220 9.619 7.231 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.619 7.392 6.764 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.435 4.590 7.081 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.972 4.853 6.896 1.00 1.00 H new ATOM 859 N ALA A 59 -10.267 9.487 4.402 1.00 1.00 N ATOM 860 CA ALA A 59 -11.255 9.004 3.432 1.00 1.00 C ATOM 861 C ALA A 59 -10.824 9.278 1.977 1.00 1.00 C ATOM 862 O ALA A 59 -10.932 8.393 1.127 1.00 1.00 O ATOM 863 CB ALA A 59 -12.611 9.631 3.751 1.00 1.00 C ATOM 0 H ALA A 59 -10.635 10.173 5.061 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.332 7.920 3.519 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.353 9.278 3.035 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -12.915 9.347 4.758 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.534 10.716 3.688 1.00 1.00 H new ATOM 869 N ASN A 60 -10.282 10.469 1.688 1.00 1.00 N ATOM 870 CA ASN A 60 -9.754 10.811 0.363 1.00 1.00 C ATOM 871 C ASN A 60 -8.590 9.875 -0.030 1.00 1.00 C ATOM 872 O ASN A 60 -8.577 9.337 -1.140 1.00 1.00 O ATOM 873 CB ASN A 60 -9.342 12.295 0.372 1.00 1.00 C ATOM 874 CG ASN A 60 -8.780 12.744 -0.967 1.00 1.00 C ATOM 875 OD1 ASN A 60 -7.580 12.736 -1.197 1.00 1.00 O ATOM 876 ND2 ASN A 60 -9.624 13.145 -1.891 1.00 1.00 N ATOM 0 H ASN A 60 -10.198 11.223 2.369 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.522 10.667 -0.397 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -10.207 12.909 0.625 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -8.596 12.458 1.150 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -9.277 13.450 -2.801 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -10.626 13.151 -1.699 1.00 1.00 H new ATOM 883 N LYS A 61 -7.648 9.626 0.891 1.00 1.00 N ATOM 884 CA LYS A 61 -6.515 8.703 0.690 1.00 1.00 C ATOM 885 C LYS A 61 -7.000 7.270 0.440 1.00 1.00 C ATOM 886 O LYS A 61 -6.512 6.616 -0.479 1.00 1.00 O ATOM 887 CB LYS A 61 -5.551 8.785 1.894 1.00 1.00 C ATOM 888 CG LYS A 61 -4.088 9.020 1.492 1.00 1.00 C ATOM 889 CD LYS A 61 -3.473 7.847 0.719 1.00 1.00 C ATOM 890 CE LYS A 61 -1.969 8.083 0.541 1.00 1.00 C ATOM 891 NZ LYS A 61 -1.270 6.842 0.123 1.00 1.00 N ATOM 0 H LYS A 61 -7.649 10.065 1.811 1.00 1.00 H new ATOM 0 HA LYS A 61 -5.969 9.006 -0.203 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.873 9.592 2.553 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -5.618 7.860 2.467 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.027 9.920 0.881 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -3.497 9.204 2.389 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.644 6.914 1.256 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.954 7.747 -0.254 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -1.807 8.862 -0.204 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -1.543 8.444 1.477 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -0.260 7.044 -0.021 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -1.376 6.118 0.862 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -1.684 6.493 -0.765 1.00 1.00 H new ATOM 905 N VAL A 62 -7.992 6.796 1.203 1.00 1.00 N ATOM 906 CA VAL A 62 -8.616 5.473 1.016 1.00 1.00 C ATOM 907 C VAL A 62 -9.292 5.383 -0.353 1.00 1.00 C ATOM 908 O VAL A 62 -9.089 4.392 -1.048 1.00 1.00 O ATOM 909 CB VAL A 62 -9.595 5.142 2.162 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.433 3.884 1.895 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.817 4.886 3.458 1.00 1.00 C ATOM 0 H VAL A 62 -8.392 7.324 1.979 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.828 4.721 1.047 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.259 6.003 2.241 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -11.101 3.706 2.738 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -11.022 4.025 0.989 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.772 3.027 1.768 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -9.515 4.653 4.262 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -8.136 4.047 3.314 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -8.245 5.776 3.721 1.00 1.00 H new ATOM 921 N ARG A 63 -10.039 6.406 -0.792 1.00 1.00 N ATOM 922 CA ARG A 63 -10.670 6.428 -2.128 1.00 1.00 C ATOM 923 C ARG A 63 -9.632 6.326 -3.252 1.00 1.00 C ATOM 924 O ARG A 63 -9.818 5.539 -4.183 1.00 1.00 O ATOM 925 CB ARG A 63 -11.569 7.659 -2.279 1.00 1.00 C ATOM 926 CG ARG A 63 -12.887 7.397 -1.533 1.00 1.00 C ATOM 927 CD ARG A 63 -13.805 8.612 -1.550 1.00 1.00 C ATOM 928 NE ARG A 63 -14.331 8.905 -2.900 1.00 1.00 N ATOM 929 CZ ARG A 63 -15.184 9.862 -3.224 1.00 1.00 C ATOM 930 NH1 ARG A 63 -15.665 10.690 -2.340 1.00 1.00 N ATOM 931 NH2 ARG A 63 -15.577 10.005 -4.458 1.00 1.00 N ATOM 0 H ARG A 63 -10.225 7.241 -0.236 1.00 1.00 H new ATOM 0 HA ARG A 63 -11.302 5.545 -2.217 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -11.074 8.541 -1.874 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -11.764 7.858 -3.333 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -13.399 6.550 -1.989 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -12.670 7.121 -0.501 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -14.638 8.443 -0.868 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -13.260 9.480 -1.179 1.00 1.00 H new ATOM 0 HE ARG A 63 -14.002 8.308 -3.659 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -15.385 10.612 -1.362 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -16.321 11.417 -2.626 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -15.226 9.377 -5.181 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -16.235 10.745 -4.701 1.00 1.00 H new ATOM 945 N ARG A 64 -8.512 7.054 -3.139 1.00 1.00 N ATOM 946 CA ARG A 64 -7.381 6.986 -4.089 1.00 1.00 C ATOM 947 C ARG A 64 -6.740 5.593 -4.095 1.00 1.00 C ATOM 948 O ARG A 64 -6.514 5.033 -5.164 1.00 1.00 O ATOM 949 CB ARG A 64 -6.333 8.065 -3.749 1.00 1.00 C ATOM 950 CG ARG A 64 -6.763 9.499 -4.100 1.00 1.00 C ATOM 951 CD ARG A 64 -6.818 9.735 -5.616 1.00 1.00 C ATOM 952 NE ARG A 64 -7.068 11.155 -5.932 1.00 1.00 N ATOM 953 CZ ARG A 64 -7.113 11.698 -7.137 1.00 1.00 C ATOM 954 NH1 ARG A 64 -6.951 10.996 -8.222 1.00 1.00 N ATOM 955 NH2 ARG A 64 -7.324 12.977 -7.276 1.00 1.00 N ATOM 0 H ARG A 64 -8.359 7.716 -2.378 1.00 1.00 H new ATOM 0 HA ARG A 64 -7.769 7.176 -5.090 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -6.111 8.016 -2.683 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -5.408 7.836 -4.278 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -7.743 9.698 -3.668 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -6.066 10.206 -3.649 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -5.878 9.420 -6.069 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -7.604 9.120 -6.053 1.00 1.00 H new ATOM 0 HE ARG A 64 -7.222 11.781 -5.141 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -6.783 9.992 -8.159 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -6.992 11.450 -9.134 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -7.455 13.565 -6.453 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -7.358 13.390 -8.208 1.00 1.00 H new ATOM 969 N TYR A 65 -6.483 5.020 -2.918 1.00 1.00 N ATOM 970 CA TYR A 65 -5.910 3.678 -2.750 1.00 1.00 C ATOM 971 C TYR A 65 -6.829 2.571 -3.300 1.00 1.00 C ATOM 972 O TYR A 65 -6.365 1.675 -4.005 1.00 1.00 O ATOM 973 CB TYR A 65 -5.607 3.475 -1.259 1.00 1.00 C ATOM 974 CG TYR A 65 -5.026 2.122 -0.903 1.00 1.00 C ATOM 975 CD1 TYR A 65 -3.652 1.873 -1.083 1.00 1.00 C ATOM 976 CD2 TYR A 65 -5.861 1.112 -0.386 1.00 1.00 C ATOM 977 CE1 TYR A 65 -3.113 0.616 -0.749 1.00 1.00 C ATOM 978 CE2 TYR A 65 -5.328 -0.149 -0.053 1.00 1.00 C ATOM 979 CZ TYR A 65 -3.950 -0.400 -0.236 1.00 1.00 C ATOM 980 OH TYR A 65 -3.421 -1.616 0.074 1.00 1.00 O ATOM 0 H TYR A 65 -6.672 5.486 -2.031 1.00 1.00 H new ATOM 0 HA TYR A 65 -4.991 3.605 -3.332 1.00 1.00 H new ATOM 0 HB2 TYR A 65 -4.911 4.249 -0.936 1.00 1.00 H new ATOM 0 HB3 TYR A 65 -6.528 3.619 -0.694 1.00 1.00 H new ATOM 0 HD1 TYR A 65 -3.011 2.647 -1.478 1.00 1.00 H new ATOM 0 HD2 TYR A 65 -6.914 1.305 -0.244 1.00 1.00 H new ATOM 0 HE1 TYR A 65 -2.058 0.428 -0.885 1.00 1.00 H new ATOM 0 HE2 TYR A 65 -5.971 -0.922 0.341 1.00 1.00 H new ATOM 0 HH TYR A 65 -4.128 -2.203 0.416 1.00 1.00 H new ATOM 990 N MET A 66 -8.139 2.639 -3.038 1.00 1.00 N ATOM 991 CA MET A 66 -9.130 1.676 -3.540 1.00 1.00 C ATOM 992 C MET A 66 -9.178 1.631 -5.077 1.00 1.00 C ATOM 993 O MET A 66 -9.363 0.559 -5.652 1.00 1.00 O ATOM 994 CB MET A 66 -10.521 2.001 -2.966 1.00 1.00 C ATOM 995 CG MET A 66 -10.633 1.557 -1.504 1.00 1.00 C ATOM 996 SD MET A 66 -10.696 -0.245 -1.284 1.00 1.00 S ATOM 997 CE MET A 66 -9.775 -0.385 0.267 1.00 1.00 C ATOM 0 H MET A 66 -8.548 3.375 -2.463 1.00 1.00 H new ATOM 0 HA MET A 66 -8.822 0.686 -3.203 1.00 1.00 H new ATOM 0 HB2 MET A 66 -10.706 3.073 -3.039 1.00 1.00 H new ATOM 0 HB3 MET A 66 -11.288 1.504 -3.560 1.00 1.00 H new ATOM 0 HG2 MET A 66 -9.782 1.951 -0.949 1.00 1.00 H new ATOM 0 HG3 MET A 66 -11.530 1.998 -1.068 1.00 1.00 H new ATOM 0 HE1 MET A 66 -9.712 -1.433 0.560 1.00 1.00 H new ATOM 0 HE2 MET A 66 -8.770 0.014 0.131 1.00 1.00 H new ATOM 0 HE3 MET A 66 -10.287 0.179 1.046 1.00 1.00 H new ATOM 1007 N ALA A 67 -8.969 2.768 -5.754 1.00 1.00 N ATOM 1008 CA ALA A 67 -8.937 2.848 -7.218 1.00 1.00 C ATOM 1009 C ALA A 67 -7.748 2.090 -7.860 1.00 1.00 C ATOM 1010 O ALA A 67 -7.800 1.759 -9.047 1.00 1.00 O ATOM 1011 CB ALA A 67 -8.944 4.327 -7.624 1.00 1.00 C ATOM 0 H ALA A 67 -8.816 3.666 -5.295 1.00 1.00 H new ATOM 0 HA ALA A 67 -9.825 2.344 -7.600 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -8.920 4.406 -8.711 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -9.848 4.804 -7.245 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -8.069 4.823 -7.205 1.00 1.00 H new ATOM 1017 N ILE A 68 -6.687 1.792 -7.094 1.00 1.00 N ATOM 1018 CA ILE A 68 -5.502 1.039 -7.555 1.00 1.00 C ATOM 1019 C ILE A 68 -5.860 -0.442 -7.812 1.00 1.00 C ATOM 1020 O ILE A 68 -5.289 -1.078 -8.700 1.00 1.00 O ATOM 1021 CB ILE A 68 -4.336 1.188 -6.539 1.00 1.00 C ATOM 1022 CG1 ILE A 68 -4.006 2.683 -6.293 1.00 1.00 C ATOM 1023 CG2 ILE A 68 -3.067 0.453 -7.005 1.00 1.00 C ATOM 1024 CD1 ILE A 68 -2.937 2.952 -5.225 1.00 1.00 C ATOM 0 H ILE A 68 -6.624 2.072 -6.115 1.00 1.00 H new ATOM 0 HA ILE A 68 -5.166 1.458 -8.504 1.00 1.00 H new ATOM 0 HB ILE A 68 -4.671 0.732 -5.607 1.00 1.00 H new ATOM 0 HG12 ILE A 68 -3.676 3.125 -7.233 1.00 1.00 H new ATOM 0 HG13 ILE A 68 -4.922 3.197 -6.004 1.00 1.00 H new ATOM 0 HG21 ILE A 68 -2.278 0.584 -6.265 1.00 1.00 H new ATOM 0 HG22 ILE A 68 -3.283 -0.609 -7.121 1.00 1.00 H new ATOM 0 HG23 ILE A 68 -2.739 0.863 -7.961 1.00 1.00 H new ATOM 0 HD11 ILE A 68 -2.780 4.026 -5.130 1.00 1.00 H new ATOM 0 HD12 ILE A 68 -3.268 2.547 -4.269 1.00 1.00 H new ATOM 0 HD13 ILE A 68 -2.002 2.473 -5.517 1.00 1.00 H new ATOM 1036 N ASN A 69 -6.833 -0.987 -7.072 1.00 1.00 N ATOM 1037 CA ASN A 69 -7.340 -2.354 -7.216 1.00 1.00 C ATOM 1038 C ASN A 69 -8.180 -2.495 -8.508 1.00 1.00 C ATOM 1039 O ASN A 69 -9.372 -2.176 -8.525 1.00 1.00 O ATOM 1040 CB ASN A 69 -8.128 -2.717 -5.941 1.00 1.00 C ATOM 1041 CG ASN A 69 -8.651 -4.144 -5.926 1.00 1.00 C ATOM 1042 OD1 ASN A 69 -8.228 -5.013 -6.678 1.00 1.00 O ATOM 1043 ND2 ASN A 69 -9.593 -4.439 -5.061 1.00 1.00 N ATOM 0 H ASN A 69 -7.305 -0.469 -6.331 1.00 1.00 H new ATOM 0 HA ASN A 69 -6.516 -3.060 -7.321 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -7.486 -2.567 -5.073 1.00 1.00 H new ATOM 0 HB3 ASN A 69 -8.969 -2.031 -5.838 1.00 1.00 H new ATOM 0 HD21 ASN A 69 -9.968 -5.387 -5.018 1.00 1.00 H new ATOM 0 HD22 ASN A 69 -9.950 -3.721 -4.431 1.00 1.00 H new ATOM 1050 N GLN A 70 -7.546 -2.940 -9.599 1.00 1.00 N ATOM 1051 CA GLN A 70 -8.161 -3.105 -10.926 1.00 1.00 C ATOM 1052 C GLN A 70 -9.420 -3.994 -10.897 1.00 1.00 C ATOM 1053 O GLN A 70 -9.426 -5.062 -10.278 1.00 1.00 O ATOM 1054 CB GLN A 70 -7.127 -3.685 -11.908 1.00 1.00 C ATOM 1055 CG GLN A 70 -5.936 -2.743 -12.158 1.00 1.00 C ATOM 1056 CD GLN A 70 -4.950 -3.304 -13.186 1.00 1.00 C ATOM 1057 OE1 GLN A 70 -4.578 -4.472 -13.173 1.00 1.00 O ATOM 1058 NE2 GLN A 70 -4.481 -2.503 -14.120 1.00 1.00 N ATOM 0 H GLN A 70 -6.561 -3.204 -9.585 1.00 1.00 H new ATOM 0 HA GLN A 70 -8.481 -2.117 -11.258 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -6.757 -4.633 -11.518 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -7.617 -3.900 -12.857 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -6.307 -1.778 -12.504 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -5.414 -2.565 -11.218 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -4.776 -1.527 -14.151 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -3.822 -2.858 -14.813 1.00 1.00 H new ATOM 1067 N GLY A 71 -10.485 -3.564 -11.575 1.00 1.00 N ATOM 1068 CA GLY A 71 -11.767 -4.273 -11.651 1.00 1.00 C ATOM 1069 C GLY A 71 -12.911 -3.381 -12.148 1.00 1.00 C ATOM 1070 O GLY A 71 -12.694 -2.260 -12.608 1.00 1.00 O ATOM 0 H GLY A 71 -10.482 -2.690 -12.101 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -11.664 -5.129 -12.317 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -12.019 -4.664 -10.666 1.00 1.00 H new ATOM 1074 N GLU A 72 -14.144 -3.876 -12.042 1.00 1.00 N ATOM 1075 CA GLU A 72 -15.396 -3.199 -12.432 1.00 1.00 C ATOM 1076 C GLU A 72 -15.829 -2.087 -11.436 1.00 1.00 C ATOM 1077 O GLU A 72 -17.010 -1.948 -11.109 1.00 1.00 O ATOM 1078 CB GLU A 72 -16.487 -4.272 -12.604 1.00 1.00 C ATOM 1079 CG GLU A 72 -16.220 -5.253 -13.757 1.00 1.00 C ATOM 1080 CD GLU A 72 -16.657 -4.663 -15.110 1.00 1.00 C ATOM 1081 OE1 GLU A 72 -17.861 -4.778 -15.448 1.00 1.00 O ATOM 1082 OE2 GLU A 72 -15.812 -4.081 -15.832 1.00 1.00 O ATOM 0 H GLU A 72 -14.313 -4.808 -11.663 1.00 1.00 H new ATOM 0 HA GLU A 72 -15.231 -2.676 -13.374 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -16.579 -4.835 -11.675 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -17.444 -3.779 -12.774 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -15.158 -5.497 -13.791 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -16.755 -6.185 -13.575 1.00 1.00 H new ATOM 1089 N ASP A 73 -14.882 -1.293 -10.919 1.00 1.00 N ATOM 1090 CA ASP A 73 -15.107 -0.229 -9.919 1.00 1.00 C ATOM 1091 C ASP A 73 -16.131 0.863 -10.308 1.00 1.00 C ATOM 1092 O ASP A 73 -16.622 1.587 -9.438 1.00 1.00 O ATOM 1093 CB ASP A 73 -13.763 0.391 -9.497 1.00 1.00 C ATOM 1094 CG ASP A 73 -13.226 1.431 -10.498 1.00 1.00 C ATOM 1095 OD1 ASP A 73 -12.588 1.037 -11.502 1.00 1.00 O ATOM 1096 OD2 ASP A 73 -13.417 2.649 -10.268 1.00 1.00 O ATOM 0 H ASP A 73 -13.902 -1.373 -11.192 1.00 1.00 H new ATOM 0 HA ASP A 73 -15.577 -0.731 -9.073 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -13.880 0.864 -8.522 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -13.026 -0.404 -9.380 1.00 1.00 H new ATOM 1101 N SER A 74 -16.481 0.975 -11.595 1.00 1.00 N ATOM 1102 CA SER A 74 -17.475 1.925 -12.129 1.00 1.00 C ATOM 1103 C SER A 74 -18.910 1.690 -11.619 1.00 1.00 C ATOM 1104 O SER A 74 -19.769 2.560 -11.791 1.00 1.00 O ATOM 1105 CB SER A 74 -17.492 1.858 -13.663 1.00 1.00 C ATOM 1106 OG SER A 74 -16.191 2.063 -14.199 1.00 1.00 O ATOM 0 H SER A 74 -16.069 0.389 -12.321 1.00 1.00 H new ATOM 0 HA SER A 74 -17.162 2.906 -11.772 1.00 1.00 H new ATOM 0 HB2 SER A 74 -17.872 0.888 -13.983 1.00 1.00 H new ATOM 0 HB3 SER A 74 -18.173 2.613 -14.056 1.00 1.00 H new ATOM 0 HG SER A 74 -16.229 2.014 -15.177 1.00 1.00 H new ATOM 1112 N VAL A 75 -19.184 0.536 -10.998 1.00 1.00 N ATOM 1113 CA VAL A 75 -20.494 0.127 -10.448 1.00 1.00 C ATOM 1114 C VAL A 75 -20.336 -0.580 -9.086 1.00 1.00 C ATOM 1115 O VAL A 75 -19.267 -1.135 -8.813 1.00 1.00 O ATOM 1116 CB VAL A 75 -21.245 -0.800 -11.437 1.00 1.00 C ATOM 1117 CG1 VAL A 75 -21.752 -0.029 -12.661 1.00 1.00 C ATOM 1118 CG2 VAL A 75 -20.415 -1.994 -11.928 1.00 1.00 C ATOM 0 H VAL A 75 -18.468 -0.176 -10.856 1.00 1.00 H new ATOM 0 HA VAL A 75 -21.080 1.034 -10.300 1.00 1.00 H new ATOM 0 HB VAL A 75 -22.082 -1.190 -10.858 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -22.273 -0.713 -13.331 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -22.437 0.756 -12.339 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -20.907 0.419 -13.184 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -21.011 -2.593 -12.616 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -19.524 -1.632 -12.441 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -20.119 -2.606 -11.076 1.00 1.00 H new ATOM 1128 N PRO A 76 -21.370 -0.590 -8.214 1.00 1.00 N ATOM 1129 CA PRO A 76 -21.340 -1.239 -6.896 1.00 1.00 C ATOM 1130 C PRO A 76 -21.443 -2.780 -6.995 1.00 1.00 C ATOM 1131 O PRO A 76 -22.415 -3.395 -6.549 1.00 1.00 O ATOM 1132 CB PRO A 76 -22.489 -0.583 -6.117 1.00 1.00 C ATOM 1133 CG PRO A 76 -23.526 -0.314 -7.203 1.00 1.00 C ATOM 1134 CD PRO A 76 -22.663 0.065 -8.407 1.00 1.00 C ATOM 0 HA PRO A 76 -20.391 -1.095 -6.380 1.00 1.00 H new ATOM 0 HB2 PRO A 76 -22.878 -1.241 -5.341 1.00 1.00 H new ATOM 0 HB3 PRO A 76 -22.171 0.336 -5.625 1.00 1.00 H new ATOM 0 HG2 PRO A 76 -24.138 -1.193 -7.405 1.00 1.00 H new ATOM 0 HG3 PRO A 76 -24.206 0.491 -6.923 1.00 1.00 H new ATOM 0 HD2 PRO A 76 -23.129 -0.262 -9.336 1.00 1.00 H new ATOM 0 HD3 PRO A 76 -22.544 1.146 -8.474 1.00 1.00 H new ATOM 1142 N ALA A 77 -20.439 -3.414 -7.610 1.00 1.00 N ATOM 1143 CA ALA A 77 -20.342 -4.859 -7.840 1.00 1.00 C ATOM 1144 C ALA A 77 -18.908 -5.395 -7.624 1.00 1.00 C ATOM 1145 O ALA A 77 -17.961 -4.632 -7.407 1.00 1.00 O ATOM 1146 CB ALA A 77 -20.847 -5.143 -9.265 1.00 1.00 C ATOM 0 H ALA A 77 -19.633 -2.909 -7.979 1.00 1.00 H new ATOM 0 HA ALA A 77 -20.959 -5.385 -7.111 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -20.787 -6.213 -9.466 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -21.882 -4.814 -9.356 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -20.230 -4.604 -9.984 1.00 1.00 H new ATOM 1152 N LYS A 78 -18.750 -6.726 -7.677 1.00 1.00 N ATOM 1153 CA LYS A 78 -17.465 -7.440 -7.520 1.00 1.00 C ATOM 1154 C LYS A 78 -16.504 -7.193 -8.699 1.00 1.00 C ATOM 1155 O LYS A 78 -16.900 -6.669 -9.742 1.00 1.00 O ATOM 1156 CB LYS A 78 -17.739 -8.951 -7.350 1.00 1.00 C ATOM 1157 CG LYS A 78 -18.670 -9.354 -6.189 1.00 1.00 C ATOM 1158 CD LYS A 78 -18.181 -8.971 -4.781 1.00 1.00 C ATOM 1159 CE LYS A 78 -18.604 -7.554 -4.363 1.00 1.00 C ATOM 1160 NZ LYS A 78 -18.175 -7.243 -2.974 1.00 1.00 N ATOM 0 H LYS A 78 -19.534 -7.359 -7.835 1.00 1.00 H new ATOM 0 HA LYS A 78 -16.971 -7.049 -6.631 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -18.169 -9.326 -8.279 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -16.784 -9.458 -7.213 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -19.645 -8.895 -6.353 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -18.816 -10.434 -6.222 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -18.571 -9.688 -4.059 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -17.094 -9.044 -4.747 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -18.171 -6.827 -5.050 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -19.687 -7.459 -4.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -18.477 -6.279 -2.725 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -18.608 -7.922 -2.316 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -17.139 -7.309 -2.907 1.00 1.00 H new ATOM 1174 N LYS A 79 -15.238 -7.608 -8.539 1.00 1.00 N ATOM 1175 CA LYS A 79 -14.145 -7.496 -9.535 1.00 1.00 C ATOM 1176 C LYS A 79 -14.522 -8.020 -10.932 1.00 1.00 C ATOM 1177 O LYS A 79 -14.112 -7.428 -11.929 1.00 1.00 O ATOM 1178 CB LYS A 79 -12.902 -8.216 -8.971 1.00 1.00 C ATOM 1179 CG LYS A 79 -11.647 -8.097 -9.858 1.00 1.00 C ATOM 1180 CD LYS A 79 -10.450 -8.865 -9.272 1.00 1.00 C ATOM 1181 CE LYS A 79 -9.809 -8.176 -8.057 1.00 1.00 C ATOM 1182 NZ LYS A 79 -8.862 -7.107 -8.464 1.00 1.00 N ATOM 0 H LYS A 79 -14.927 -8.052 -7.675 1.00 1.00 H new ATOM 0 HA LYS A 79 -13.933 -6.438 -9.690 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -12.676 -7.809 -7.985 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -13.138 -9.271 -8.834 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -11.870 -8.479 -10.854 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -11.382 -7.046 -9.972 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -10.777 -9.863 -8.982 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -9.695 -8.990 -10.048 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -10.590 -7.749 -7.428 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -9.283 -8.917 -7.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -8.686 -6.474 -7.658 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -7.965 -7.536 -8.770 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -9.271 -6.562 -9.250 1.00 1.00 H new ATOM 1196 N PHE A 80 -15.326 -9.085 -10.990 1.00 1.00 N ATOM 1197 CA PHE A 80 -15.827 -9.726 -12.214 1.00 1.00 C ATOM 1198 C PHE A 80 -17.325 -10.067 -12.092 1.00 1.00 C ATOM 1199 O PHE A 80 -17.850 -10.213 -10.984 1.00 1.00 O ATOM 1200 CB PHE A 80 -15.027 -11.014 -12.484 1.00 1.00 C ATOM 1201 CG PHE A 80 -13.515 -10.862 -12.536 1.00 1.00 C ATOM 1202 CD1 PHE A 80 -12.910 -10.142 -13.584 1.00 1.00 C ATOM 1203 CD2 PHE A 80 -12.709 -11.466 -11.550 1.00 1.00 C ATOM 1204 CE1 PHE A 80 -11.509 -10.025 -13.645 1.00 1.00 C ATOM 1205 CE2 PHE A 80 -11.309 -11.355 -11.616 1.00 1.00 C ATOM 1206 CZ PHE A 80 -10.709 -10.634 -12.663 1.00 1.00 C ATOM 0 H PHE A 80 -15.663 -9.548 -10.146 1.00 1.00 H new ATOM 0 HA PHE A 80 -15.702 -9.028 -13.042 1.00 1.00 H new ATOM 0 HB2 PHE A 80 -15.273 -11.740 -11.709 1.00 1.00 H new ATOM 0 HB3 PHE A 80 -15.363 -11.434 -13.432 1.00 1.00 H new ATOM 0 HD1 PHE A 80 -13.523 -9.678 -14.343 1.00 1.00 H new ATOM 0 HD2 PHE A 80 -13.168 -12.016 -10.742 1.00 1.00 H new ATOM 0 HE1 PHE A 80 -11.048 -9.467 -14.447 1.00 1.00 H new ATOM 0 HE2 PHE A 80 -10.694 -11.824 -10.862 1.00 1.00 H new ATOM 0 HZ PHE A 80 -9.634 -10.548 -12.713 1.00 1.00 H new ATOM 1216 N LYS A 81 -18.012 -10.230 -13.231 1.00 1.00 N ATOM 1217 CA LYS A 81 -19.447 -10.574 -13.327 1.00 1.00 C ATOM 1218 C LYS A 81 -19.617 -12.052 -13.713 1.00 1.00 C ATOM 1219 O LYS A 81 -20.079 -12.390 -14.804 1.00 1.00 O ATOM 1220 CB LYS A 81 -20.192 -9.604 -14.274 1.00 1.00 C ATOM 1221 CG LYS A 81 -20.606 -8.263 -13.652 1.00 1.00 C ATOM 1222 CD LYS A 81 -19.427 -7.377 -13.234 1.00 1.00 C ATOM 1223 CE LYS A 81 -19.886 -5.971 -12.842 1.00 1.00 C ATOM 1224 NZ LYS A 81 -20.219 -5.137 -14.023 1.00 1.00 N ATOM 0 H LYS A 81 -17.573 -10.123 -14.146 1.00 1.00 H new ATOM 0 HA LYS A 81 -19.911 -10.449 -12.348 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -19.555 -9.404 -15.136 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -21.086 -10.103 -14.647 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -21.221 -7.717 -14.367 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -21.229 -8.457 -12.779 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -18.906 -7.837 -12.394 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -18.713 -7.311 -14.055 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -20.759 -6.044 -12.194 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -19.101 -5.483 -12.265 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -20.343 -4.148 -13.726 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -19.447 -5.195 -14.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -21.100 -5.482 -14.454 1.00 1.00 H new ATOM 1238 N ALA A 82 -19.214 -12.944 -12.804 1.00 1.00 N ATOM 1239 CA ALA A 82 -19.295 -14.405 -12.962 1.00 1.00 C ATOM 1240 C ALA A 82 -20.743 -14.959 -13.031 1.00 1.00 C ATOM 1241 O ALA A 82 -20.950 -16.119 -13.400 1.00 1.00 O ATOM 1242 CB ALA A 82 -18.510 -15.047 -11.812 1.00 1.00 C ATOM 0 H ALA A 82 -18.810 -12.665 -11.910 1.00 1.00 H new ATOM 0 HA ALA A 82 -18.860 -14.663 -13.928 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -18.553 -16.132 -11.904 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -17.471 -14.720 -11.854 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -18.947 -14.746 -10.860 1.00 1.00 H new ATOM 1248 N ALA A 83 -21.740 -14.134 -12.695 1.00 1.00 N ATOM 1249 CA ALA A 83 -23.175 -14.425 -12.710 1.00 1.00 C ATOM 1250 C ALA A 83 -23.966 -13.156 -13.119 1.00 1.00 C ATOM 1251 O ALA A 83 -23.445 -12.045 -12.950 1.00 1.00 O ATOM 1252 CB ALA A 83 -23.564 -14.908 -11.304 1.00 1.00 C ATOM 0 H ALA A 83 -21.552 -13.181 -12.384 1.00 1.00 H new ATOM 0 HA ALA A 83 -23.414 -15.200 -13.439 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -24.630 -15.134 -11.279 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -22.996 -15.805 -11.058 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -23.342 -14.127 -10.577 1.00 1.00 H new ATOM 1258 N PRO A 84 -25.202 -13.276 -13.650 1.00 1.00 N ATOM 1259 CA PRO A 84 -26.017 -12.133 -14.070 1.00 1.00 C ATOM 1260 C PRO A 84 -26.439 -11.253 -12.876 1.00 1.00 C ATOM 1261 O PRO A 84 -27.349 -11.596 -12.117 1.00 1.00 O ATOM 1262 CB PRO A 84 -27.204 -12.730 -14.837 1.00 1.00 C ATOM 1263 CG PRO A 84 -27.350 -14.131 -14.247 1.00 1.00 C ATOM 1264 CD PRO A 84 -25.912 -14.523 -13.914 1.00 1.00 C ATOM 0 HA PRO A 84 -25.457 -11.451 -14.709 1.00 1.00 H new ATOM 0 HB2 PRO A 84 -28.109 -12.140 -14.696 1.00 1.00 H new ATOM 0 HB3 PRO A 84 -27.011 -12.765 -15.909 1.00 1.00 H new ATOM 0 HG2 PRO A 84 -27.983 -14.130 -13.359 1.00 1.00 H new ATOM 0 HG3 PRO A 84 -27.801 -14.822 -14.959 1.00 1.00 H new ATOM 0 HD2 PRO A 84 -25.879 -15.181 -13.046 1.00 1.00 H new ATOM 0 HD3 PRO A 84 -25.454 -15.064 -14.742 1.00 1.00 H new ATOM 1272 N ALA A 85 -25.750 -10.121 -12.706 1.00 1.00 N ATOM 1273 CA ALA A 85 -25.947 -9.153 -11.617 1.00 1.00 C ATOM 1274 C ALA A 85 -25.816 -7.678 -12.076 1.00 1.00 C ATOM 1275 O ALA A 85 -25.633 -6.776 -11.255 1.00 1.00 O ATOM 1276 CB ALA A 85 -24.953 -9.507 -10.499 1.00 1.00 C ATOM 0 H ALA A 85 -25.009 -9.840 -13.348 1.00 1.00 H new ATOM 0 HA ALA A 85 -26.971 -9.227 -11.251 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -25.071 -8.807 -9.672 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -25.147 -10.520 -10.147 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -23.935 -9.445 -10.884 1.00 1.00 H new ATOM 1282 N GLU A 86 -25.896 -7.421 -13.386 1.00 1.00 N ATOM 1283 CA GLU A 86 -25.799 -6.079 -13.985 1.00 1.00 C ATOM 1284 C GLU A 86 -26.980 -5.162 -13.599 1.00 1.00 C ATOM 1285 O GLU A 86 -28.085 -5.628 -13.304 1.00 1.00 O ATOM 1286 CB GLU A 86 -25.736 -6.204 -15.521 1.00 1.00 C ATOM 1287 CG GLU A 86 -24.481 -6.907 -16.064 1.00 1.00 C ATOM 1288 CD GLU A 86 -23.243 -5.989 -16.063 1.00 1.00 C ATOM 1289 OE1 GLU A 86 -22.757 -5.619 -14.969 1.00 1.00 O ATOM 1290 OE2 GLU A 86 -22.727 -5.653 -17.155 1.00 1.00 O ATOM 0 H GLU A 86 -26.033 -8.157 -14.079 1.00 1.00 H new ATOM 0 HA GLU A 86 -24.890 -5.621 -13.595 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -26.616 -6.749 -15.863 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -25.791 -5.205 -15.954 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -24.274 -7.791 -15.461 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -24.673 -7.252 -17.080 1.00 1.00 H new ATOM 1297 N ILE A 87 -26.752 -3.842 -13.646 1.00 1.00 N ATOM 1298 CA ILE A 87 -27.737 -2.783 -13.343 1.00 1.00 C ATOM 1299 C ILE A 87 -27.727 -1.718 -14.470 1.00 1.00 C ATOM 1300 O ILE A 87 -27.786 -0.509 -14.234 1.00 1.00 O ATOM 1301 CB ILE A 87 -27.553 -2.184 -11.913 1.00 1.00 C ATOM 1302 CG1 ILE A 87 -27.110 -3.173 -10.803 1.00 1.00 C ATOM 1303 CG2 ILE A 87 -28.898 -1.589 -11.453 1.00 1.00 C ATOM 1304 CD1 ILE A 87 -25.586 -3.335 -10.682 1.00 1.00 C ATOM 0 H ILE A 87 -25.841 -3.463 -13.906 1.00 1.00 H new ATOM 0 HA ILE A 87 -28.732 -3.228 -13.323 1.00 1.00 H new ATOM 0 HB ILE A 87 -26.747 -1.458 -12.025 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -27.506 -2.831 -9.847 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -27.554 -4.148 -11.001 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -28.786 -1.166 -10.455 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -29.206 -0.806 -12.146 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -29.655 -2.373 -11.432 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -25.357 -4.042 -9.885 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -25.184 -3.708 -11.624 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -25.135 -2.370 -10.451 1.00 1.00 H new ATOM 1316 N SER A 88 -27.591 -2.182 -15.719 1.00 1.00 N ATOM 1317 CA SER A 88 -27.483 -1.369 -16.948 1.00 1.00 C ATOM 1318 C SER A 88 -28.604 -1.611 -17.978 1.00 1.00 C ATOM 1319 O SER A 88 -28.681 -0.909 -18.989 1.00 1.00 O ATOM 1320 CB SER A 88 -26.111 -1.613 -17.588 1.00 1.00 C ATOM 1321 OG SER A 88 -25.935 -2.993 -17.877 1.00 1.00 O ATOM 0 H SER A 88 -27.551 -3.182 -15.915 1.00 1.00 H new ATOM 0 HA SER A 88 -27.596 -0.329 -16.643 1.00 1.00 H new ATOM 0 HB2 SER A 88 -26.022 -1.029 -18.504 1.00 1.00 H new ATOM 0 HB3 SER A 88 -25.324 -1.273 -16.915 1.00 1.00 H new ATOM 0 HG SER A 88 -25.056 -3.132 -18.286 1.00 1.00 H new ATOM 1327 N ASP A 89 -29.494 -2.576 -17.721 1.00 1.00 N ATOM 1328 CA ASP A 89 -30.650 -2.944 -18.565 1.00 1.00 C ATOM 1329 C ASP A 89 -31.931 -3.177 -17.720 1.00 1.00 C ATOM 1330 O ASP A 89 -32.925 -3.745 -18.179 1.00 1.00 O ATOM 1331 CB ASP A 89 -30.259 -4.171 -19.410 1.00 1.00 C ATOM 1332 CG ASP A 89 -31.264 -4.486 -20.536 1.00 1.00 C ATOM 1333 OD1 ASP A 89 -31.597 -3.572 -21.331 1.00 1.00 O ATOM 1334 OD2 ASP A 89 -31.681 -5.662 -20.668 1.00 1.00 O ATOM 0 H ASP A 89 -29.430 -3.152 -16.881 1.00 1.00 H new ATOM 0 HA ASP A 89 -30.899 -2.120 -19.234 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -29.275 -4.002 -19.848 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -30.172 -5.040 -18.757 1.00 1.00 H new ATOM 1339 N GLY A 90 -31.896 -2.738 -16.459 1.00 1.00 N ATOM 1340 CA GLY A 90 -32.951 -2.843 -15.447 1.00 1.00 C ATOM 1341 C GLY A 90 -32.447 -2.349 -14.085 1.00 1.00 C ATOM 1342 O GLY A 90 -31.295 -1.922 -13.962 1.00 1.00 O ATOM 0 H GLY A 90 -31.070 -2.266 -16.092 1.00 1.00 H new ATOM 0 HA2 GLY A 90 -33.817 -2.256 -15.755 1.00 1.00 H new ATOM 0 HA3 GLY A 90 -33.281 -3.879 -15.364 1.00 1.00 H new ATOM 1346 N GLU A 91 -33.291 -2.410 -13.055 1.00 1.00 N ATOM 1347 CA GLU A 91 -32.958 -1.980 -11.689 1.00 1.00 C ATOM 1348 C GLU A 91 -33.639 -2.877 -10.640 1.00 1.00 C ATOM 1349 O GLU A 91 -34.747 -3.376 -10.844 1.00 1.00 O ATOM 1350 CB GLU A 91 -33.358 -0.500 -11.522 1.00 1.00 C ATOM 1351 CG GLU A 91 -32.898 0.115 -10.194 1.00 1.00 C ATOM 1352 CD GLU A 91 -33.173 1.631 -10.167 1.00 1.00 C ATOM 1353 OE1 GLU A 91 -34.306 2.040 -9.817 1.00 1.00 O ATOM 1354 OE2 GLU A 91 -32.254 2.426 -10.486 1.00 1.00 O ATOM 0 H GLU A 91 -34.243 -2.765 -13.144 1.00 1.00 H new ATOM 0 HA GLU A 91 -31.884 -2.078 -11.528 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -32.936 0.077 -12.345 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -34.442 -0.415 -11.596 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -33.417 -0.368 -9.366 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -31.833 -0.068 -10.053 1.00 1.00 H new ATOM 1361 N ASP A 92 -32.982 -3.088 -9.496 1.00 1.00 N ATOM 1362 CA ASP A 92 -33.512 -3.906 -8.397 1.00 1.00 C ATOM 1363 C ASP A 92 -34.851 -3.361 -7.862 1.00 1.00 C ATOM 1364 O ASP A 92 -35.843 -4.089 -7.788 1.00 1.00 O ATOM 1365 CB ASP A 92 -32.449 -3.963 -7.291 1.00 1.00 C ATOM 1366 CG ASP A 92 -32.972 -4.662 -6.027 1.00 1.00 C ATOM 1367 OD1 ASP A 92 -32.921 -5.912 -5.961 1.00 1.00 O ATOM 1368 OD2 ASP A 92 -33.423 -3.945 -5.102 1.00 1.00 O ATOM 0 H ASP A 92 -32.061 -2.694 -9.303 1.00 1.00 H new ATOM 0 HA ASP A 92 -33.724 -4.910 -8.764 1.00 1.00 H new ATOM 0 HB2 ASP A 92 -31.570 -4.491 -7.660 1.00 1.00 H new ATOM 0 HB3 ASP A 92 -32.131 -2.951 -7.041 1.00 1.00 H new ATOM 1373 N ARG A 93 -34.892 -2.064 -7.528 1.00 1.00 N ATOM 1374 CA ARG A 93 -36.070 -1.373 -6.974 1.00 1.00 C ATOM 1375 C ARG A 93 -37.279 -1.265 -7.914 1.00 1.00 C ATOM 1376 O ARG A 93 -38.370 -0.943 -7.444 1.00 1.00 O ATOM 1377 CB ARG A 93 -35.657 0.011 -6.439 1.00 1.00 C ATOM 1378 CG ARG A 93 -34.615 -0.030 -5.306 1.00 1.00 C ATOM 1379 CD ARG A 93 -35.070 -0.873 -4.105 1.00 1.00 C ATOM 1380 NE ARG A 93 -34.270 -0.577 -2.902 1.00 1.00 N ATOM 1381 CZ ARG A 93 -33.220 -1.233 -2.436 1.00 1.00 C ATOM 1382 NH1 ARG A 93 -32.741 -2.311 -2.986 1.00 1.00 N ATOM 1383 NH2 ARG A 93 -32.611 -0.798 -1.371 1.00 1.00 N ATOM 0 H ARG A 93 -34.087 -1.448 -7.638 1.00 1.00 H new ATOM 0 HA ARG A 93 -36.425 -2.007 -6.162 1.00 1.00 H new ATOM 0 HB2 ARG A 93 -35.256 0.601 -7.263 1.00 1.00 H new ATOM 0 HB3 ARG A 93 -36.547 0.528 -6.080 1.00 1.00 H new ATOM 0 HG2 ARG A 93 -33.680 -0.434 -5.694 1.00 1.00 H new ATOM 0 HG3 ARG A 93 -34.409 0.987 -4.972 1.00 1.00 H new ATOM 0 HD2 ARG A 93 -36.123 -0.678 -3.900 1.00 1.00 H new ATOM 0 HD3 ARG A 93 -34.984 -1.932 -4.349 1.00 1.00 H new ATOM 0 HE ARG A 93 -34.563 0.236 -2.361 1.00 1.00 H new ATOM 0 HH11 ARG A 93 -33.179 -2.694 -3.824 1.00 1.00 H new ATOM 0 HH12 ARG A 93 -31.927 -2.773 -2.579 1.00 1.00 H new ATOM 0 HH21 ARG A 93 -32.944 0.044 -0.901 1.00 1.00 H new ATOM 0 HH22 ARG A 93 -31.801 -1.299 -1.006 1.00 1.00 H new ATOM 1397 N SER A 94 -37.126 -1.557 -9.211 1.00 1.00 N ATOM 1398 CA SER A 94 -38.229 -1.544 -10.190 1.00 1.00 C ATOM 1399 C SER A 94 -38.835 -2.938 -10.440 1.00 1.00 C ATOM 1400 O SER A 94 -39.804 -3.065 -11.191 1.00 1.00 O ATOM 1401 CB SER A 94 -37.798 -0.861 -11.493 1.00 1.00 C ATOM 1402 OG SER A 94 -36.856 -1.634 -12.212 1.00 1.00 O ATOM 0 H SER A 94 -36.226 -1.812 -9.618 1.00 1.00 H new ATOM 0 HA SER A 94 -39.032 -0.953 -9.750 1.00 1.00 H new ATOM 0 HB2 SER A 94 -38.674 -0.686 -12.117 1.00 1.00 H new ATOM 0 HB3 SER A 94 -37.368 0.114 -11.266 1.00 1.00 H new ATOM 0 HG SER A 94 -36.276 -2.112 -11.583 1.00 1.00 H new ATOM 1408 N LYS A 95 -38.300 -3.986 -9.793 1.00 1.00 N ATOM 1409 CA LYS A 95 -38.768 -5.386 -9.889 1.00 1.00 C ATOM 1410 C LYS A 95 -38.881 -6.106 -8.537 1.00 1.00 C ATOM 1411 O LYS A 95 -39.581 -7.114 -8.452 1.00 1.00 O ATOM 1412 CB LYS A 95 -37.842 -6.169 -10.844 1.00 1.00 C ATOM 1413 CG LYS A 95 -38.015 -5.814 -12.335 1.00 1.00 C ATOM 1414 CD LYS A 95 -39.371 -6.224 -12.941 1.00 1.00 C ATOM 1415 CE LYS A 95 -39.521 -7.751 -13.014 1.00 1.00 C ATOM 1416 NZ LYS A 95 -40.900 -8.150 -13.391 1.00 1.00 N ATOM 0 H LYS A 95 -37.502 -3.883 -9.166 1.00 1.00 H new ATOM 0 HA LYS A 95 -39.784 -5.350 -10.283 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -36.806 -5.986 -10.557 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -38.025 -7.236 -10.714 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -37.889 -4.738 -12.455 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -37.218 -6.294 -12.904 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -40.179 -5.807 -12.340 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -39.466 -5.801 -13.941 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -38.815 -8.152 -13.741 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -39.267 -8.188 -12.048 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -40.909 -9.154 -13.661 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -41.537 -8.003 -12.582 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -41.221 -7.573 -14.194 1.00 1.00 H new ATOM 1430 N CYS A 96 -38.240 -5.597 -7.485 1.00 1.00 N ATOM 1431 CA CYS A 96 -38.244 -6.159 -6.134 1.00 1.00 C ATOM 1432 C CYS A 96 -38.276 -5.062 -5.050 1.00 1.00 C ATOM 1433 O CYS A 96 -37.919 -3.907 -5.284 1.00 1.00 O ATOM 1434 CB CYS A 96 -37.010 -7.073 -6.024 1.00 1.00 C ATOM 1435 SG CYS A 96 -36.934 -7.983 -4.450 1.00 1.00 S ATOM 0 H CYS A 96 -37.681 -4.747 -7.553 1.00 1.00 H new ATOM 0 HA CYS A 96 -39.150 -6.739 -5.961 1.00 1.00 H new ATOM 0 HB2 CYS A 96 -37.018 -7.786 -6.849 1.00 1.00 H new ATOM 0 HB3 CYS A 96 -36.108 -6.471 -6.132 1.00 1.00 H new ATOM 0 HG CYS A 96 -38.138 -8.161 -3.993 1.00 1.00 H new ATOM 1441 N CYS A 97 -38.711 -5.447 -3.851 1.00 1.00 N ATOM 1442 CA CYS A 97 -38.812 -4.621 -2.654 1.00 1.00 C ATOM 1443 C CYS A 97 -38.278 -5.425 -1.453 1.00 1.00 C ATOM 1444 O CYS A 97 -39.052 -6.134 -0.802 1.00 1.00 O ATOM 1445 CB CYS A 97 -40.272 -4.196 -2.457 1.00 1.00 C ATOM 1446 SG CYS A 97 -40.582 -3.249 -0.946 1.00 1.00 S ATOM 0 H CYS A 97 -39.021 -6.404 -3.682 1.00 1.00 H new ATOM 0 HA CYS A 97 -38.213 -3.715 -2.751 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -40.582 -3.599 -3.315 1.00 1.00 H new ATOM 0 HB3 CYS A 97 -40.898 -5.088 -2.446 1.00 1.00 H new ATOM 1451 N PRO A 98 -36.968 -5.357 -1.135 1.00 1.00 N ATOM 1452 CA PRO A 98 -36.383 -6.113 -0.022 1.00 1.00 C ATOM 1453 C PRO A 98 -36.916 -5.681 1.355 1.00 1.00 C ATOM 1454 O PRO A 98 -36.923 -6.486 2.287 1.00 1.00 O ATOM 1455 CB PRO A 98 -34.868 -5.930 -0.151 1.00 1.00 C ATOM 1456 CG PRO A 98 -34.720 -4.609 -0.903 1.00 1.00 C ATOM 1457 CD PRO A 98 -35.940 -4.583 -1.822 1.00 1.00 C ATOM 0 HA PRO A 98 -36.663 -7.165 -0.082 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -34.386 -5.890 0.826 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -34.411 -6.755 -0.698 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -34.712 -3.758 -0.222 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -33.790 -4.572 -1.470 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -36.274 -3.561 -2.001 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -35.707 -5.017 -2.794 1.00 1.00 H new ATOM 1465 N VAL A 99 -37.425 -4.446 1.487 1.00 1.00 N ATOM 1466 CA VAL A 99 -38.046 -3.928 2.727 1.00 1.00 C ATOM 1467 C VAL A 99 -39.260 -4.778 3.130 1.00 1.00 C ATOM 1468 O VAL A 99 -39.475 -5.029 4.317 1.00 1.00 O ATOM 1469 CB VAL A 99 -38.472 -2.452 2.562 1.00 1.00 C ATOM 1470 CG1 VAL A 99 -38.976 -1.852 3.880 1.00 1.00 C ATOM 1471 CG2 VAL A 99 -37.315 -1.565 2.079 1.00 1.00 C ATOM 0 H VAL A 99 -37.419 -3.766 0.727 1.00 1.00 H new ATOM 0 HA VAL A 99 -37.297 -3.988 3.517 1.00 1.00 H new ATOM 0 HB VAL A 99 -39.270 -2.467 1.819 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -39.265 -0.813 3.720 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -39.838 -2.419 4.232 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -38.183 -1.897 4.627 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -37.662 -0.537 1.978 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -36.501 -1.603 2.803 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -36.960 -1.925 1.113 1.00 1.00 H new ATOM 1481 N CYS A 100 -40.014 -5.268 2.142 1.00 1.00 N ATOM 1482 CA CYS A 100 -41.205 -6.110 2.308 1.00 1.00 C ATOM 1483 C CYS A 100 -41.001 -7.581 1.872 1.00 1.00 C ATOM 1484 O CYS A 100 -41.893 -8.416 2.027 1.00 1.00 O ATOM 1485 CB CYS A 100 -42.324 -5.460 1.497 1.00 1.00 C ATOM 1486 SG CYS A 100 -42.786 -3.795 2.049 1.00 1.00 S ATOM 0 H CYS A 100 -39.803 -5.081 1.162 1.00 1.00 H new ATOM 0 HA CYS A 100 -41.446 -6.166 3.369 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -42.016 -5.410 0.453 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -43.205 -6.100 1.539 1.00 1.00 H new ATOM 1491 N ASN A 101 -39.824 -7.877 1.318 1.00 1.00 N ATOM 1492 CA ASN A 101 -39.359 -9.161 0.777 1.00 1.00 C ATOM 1493 C ASN A 101 -40.331 -9.759 -0.264 1.00 1.00 C ATOM 1494 O ASN A 101 -40.882 -10.850 -0.093 1.00 1.00 O ATOM 1495 CB ASN A 101 -38.968 -10.101 1.935 1.00 1.00 C ATOM 1496 CG ASN A 101 -38.275 -11.372 1.462 1.00 1.00 C ATOM 1497 OD1 ASN A 101 -37.596 -11.407 0.443 1.00 1.00 O ATOM 1498 ND2 ASN A 101 -38.412 -12.458 2.189 1.00 1.00 N ATOM 0 H ASN A 101 -39.104 -7.160 1.227 1.00 1.00 H new ATOM 0 HA ASN A 101 -38.452 -9.000 0.194 1.00 1.00 H new ATOM 0 HB2 ASN A 101 -38.309 -9.569 2.621 1.00 1.00 H new ATOM 0 HB3 ASN A 101 -39.863 -10.369 2.496 1.00 1.00 H new ATOM 0 HD21 ASN A 101 -37.954 -13.324 1.904 1.00 1.00 H new ATOM 0 HD22 ASN A 101 -38.976 -12.435 3.039 1.00 1.00 H new ATOM 1505 N MET A 102 -40.562 -8.996 -1.337 1.00 1.00 N ATOM 1506 CA MET A 102 -41.496 -9.319 -2.431 1.00 1.00 C ATOM 1507 C MET A 102 -41.050 -8.746 -3.791 1.00 1.00 C ATOM 1508 O MET A 102 -40.094 -7.972 -3.868 1.00 1.00 O ATOM 1509 CB MET A 102 -42.910 -8.839 -2.041 1.00 1.00 C ATOM 1510 CG MET A 102 -42.954 -7.382 -1.561 1.00 1.00 C ATOM 1511 SD MET A 102 -44.603 -6.806 -1.083 1.00 1.00 S ATOM 1512 CE MET A 102 -45.112 -6.099 -2.667 1.00 1.00 C ATOM 0 H MET A 102 -40.089 -8.103 -1.477 1.00 1.00 H new ATOM 0 HA MET A 102 -41.504 -10.401 -2.566 1.00 1.00 H new ATOM 0 HB2 MET A 102 -43.572 -8.950 -2.900 1.00 1.00 H new ATOM 0 HB3 MET A 102 -43.299 -9.484 -1.253 1.00 1.00 H new ATOM 0 HG2 MET A 102 -42.282 -7.271 -0.710 1.00 1.00 H new ATOM 0 HG3 MET A 102 -42.573 -6.739 -2.354 1.00 1.00 H new ATOM 0 HE1 MET A 102 -46.186 -5.914 -2.655 1.00 1.00 H new ATOM 0 HE2 MET A 102 -44.584 -5.160 -2.833 1.00 1.00 H new ATOM 0 HE3 MET A 102 -44.873 -6.796 -3.470 1.00 1.00 H new ATOM 1522 N THR A 103 -41.738 -9.131 -4.870 1.00 1.00 N ATOM 1523 CA THR A 103 -41.454 -8.743 -6.270 1.00 1.00 C ATOM 1524 C THR A 103 -42.688 -8.189 -6.995 1.00 1.00 C ATOM 1525 O THR A 103 -43.812 -8.279 -6.490 1.00 1.00 O ATOM 1526 CB THR A 103 -40.870 -9.928 -7.064 1.00 1.00 C ATOM 1527 OG1 THR A 103 -41.729 -11.048 -6.987 1.00 1.00 O ATOM 1528 CG2 THR A 103 -39.495 -10.350 -6.544 1.00 1.00 C ATOM 0 H THR A 103 -42.546 -9.749 -4.797 1.00 1.00 H new ATOM 0 HA THR A 103 -40.716 -7.942 -6.220 1.00 1.00 H new ATOM 0 HB THR A 103 -40.771 -9.589 -8.095 1.00 1.00 H new ATOM 0 HG1 THR A 103 -41.345 -11.791 -7.498 1.00 1.00 H new ATOM 0 HG21 THR A 103 -39.124 -11.188 -7.134 1.00 1.00 H new ATOM 0 HG22 THR A 103 -38.802 -9.513 -6.627 1.00 1.00 H new ATOM 0 HG23 THR A 103 -39.578 -10.651 -5.499 1.00 1.00 H new ATOM 1536 N PHE A 104 -42.481 -7.600 -8.181 1.00 1.00 N ATOM 1537 CA PHE A 104 -43.533 -6.972 -8.998 1.00 1.00 C ATOM 1538 C PHE A 104 -43.512 -7.421 -10.466 1.00 1.00 C ATOM 1539 O PHE A 104 -42.452 -7.663 -11.049 1.00 1.00 O ATOM 1540 CB PHE A 104 -43.396 -5.442 -8.944 1.00 1.00 C ATOM 1541 CG PHE A 104 -43.207 -4.859 -7.559 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -44.311 -4.716 -6.701 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -41.929 -4.455 -7.130 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -44.140 -4.151 -5.428 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -41.757 -3.888 -5.858 1.00 1.00 C ATOM 1546 CZ PHE A 104 -42.864 -3.739 -5.004 1.00 1.00 C ATOM 0 H PHE A 104 -41.557 -7.545 -8.610 1.00 1.00 H new ATOM 0 HA PHE A 104 -44.483 -7.294 -8.572 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -42.549 -5.147 -9.563 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -44.286 -4.998 -9.389 1.00 1.00 H new ATOM 0 HD1 PHE A 104 -45.290 -5.041 -7.021 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -41.078 -4.582 -7.782 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -44.990 -4.032 -4.772 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -40.777 -3.567 -5.536 1.00 1.00 H new ATOM 0 HZ PHE A 104 -42.734 -3.308 -4.022 1.00 1.00 H new ATOM 1556 N SER A 105 -44.693 -7.493 -11.084 1.00 1.00 N ATOM 1557 CA SER A 105 -44.874 -7.859 -12.498 1.00 1.00 C ATOM 1558 C SER A 105 -44.349 -6.795 -13.473 1.00 1.00 C ATOM 1559 O SER A 105 -43.749 -7.147 -14.493 1.00 1.00 O ATOM 1560 CB SER A 105 -46.362 -8.117 -12.769 1.00 1.00 C ATOM 1561 OG SER A 105 -47.158 -7.034 -12.304 1.00 1.00 O ATOM 0 H SER A 105 -45.573 -7.295 -10.608 1.00 1.00 H new ATOM 0 HA SER A 105 -44.286 -8.760 -12.672 1.00 1.00 H new ATOM 0 HB2 SER A 105 -46.522 -8.258 -13.838 1.00 1.00 H new ATOM 0 HB3 SER A 105 -46.671 -9.039 -12.276 1.00 1.00 H new ATOM 0 HG SER A 105 -48.102 -7.219 -12.489 1.00 1.00 H new ATOM 1567 N SER A 106 -44.526 -5.509 -13.147 1.00 1.00 N ATOM 1568 CA SER A 106 -44.123 -4.350 -13.964 1.00 1.00 C ATOM 1569 C SER A 106 -43.567 -3.197 -13.108 1.00 1.00 C ATOM 1570 O SER A 106 -43.934 -3.076 -11.933 1.00 1.00 O ATOM 1571 CB SER A 106 -45.345 -3.844 -14.751 1.00 1.00 C ATOM 1572 OG SER A 106 -45.756 -4.791 -15.726 1.00 1.00 O ATOM 0 H SER A 106 -44.972 -5.233 -12.272 1.00 1.00 H new ATOM 0 HA SER A 106 -43.330 -4.677 -14.636 1.00 1.00 H new ATOM 0 HB2 SER A 106 -46.167 -3.646 -14.063 1.00 1.00 H new ATOM 0 HB3 SER A 106 -45.102 -2.899 -15.238 1.00 1.00 H new ATOM 0 HG SER A 106 -46.535 -4.445 -16.210 1.00 1.00 H new ATOM 1578 N PRO A 107 -42.714 -2.314 -13.671 1.00 1.00 N ATOM 1579 CA PRO A 107 -42.116 -1.189 -12.939 1.00 1.00 C ATOM 1580 C PRO A 107 -43.134 -0.169 -12.414 1.00 1.00 C ATOM 1581 O PRO A 107 -42.902 0.439 -11.368 1.00 1.00 O ATOM 1582 CB PRO A 107 -41.103 -0.561 -13.903 1.00 1.00 C ATOM 1583 CG PRO A 107 -41.623 -0.946 -15.285 1.00 1.00 C ATOM 1584 CD PRO A 107 -42.221 -2.330 -15.043 1.00 1.00 C ATOM 0 HA PRO A 107 -41.640 -1.548 -12.027 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -41.054 0.521 -13.782 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -40.098 -0.946 -13.733 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -42.370 -0.240 -15.648 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -40.824 -0.974 -16.026 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -43.028 -2.536 -15.746 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -41.472 -3.110 -15.180 1.00 1.00 H new ATOM 1592 N VAL A 108 -44.282 -0.012 -13.088 1.00 1.00 N ATOM 1593 CA VAL A 108 -45.373 0.886 -12.655 1.00 1.00 C ATOM 1594 C VAL A 108 -45.932 0.448 -11.293 1.00 1.00 C ATOM 1595 O VAL A 108 -46.231 1.284 -10.440 1.00 1.00 O ATOM 1596 CB VAL A 108 -46.496 0.944 -13.714 1.00 1.00 C ATOM 1597 CG1 VAL A 108 -47.619 1.913 -13.318 1.00 1.00 C ATOM 1598 CG2 VAL A 108 -45.956 1.406 -15.077 1.00 1.00 C ATOM 0 H VAL A 108 -44.485 -0.507 -13.957 1.00 1.00 H new ATOM 0 HA VAL A 108 -44.959 1.889 -12.547 1.00 1.00 H new ATOM 0 HB VAL A 108 -46.889 -0.070 -13.778 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -48.385 1.919 -14.094 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -48.061 1.592 -12.375 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -47.210 2.917 -13.204 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -46.771 1.436 -15.800 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -45.522 2.401 -14.978 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -45.192 0.709 -15.421 1.00 1.00 H new ATOM 1608 N VAL A 109 -46.019 -0.866 -11.055 1.00 1.00 N ATOM 1609 CA VAL A 109 -46.466 -1.440 -9.774 1.00 1.00 C ATOM 1610 C VAL A 109 -45.403 -1.206 -8.696 1.00 1.00 C ATOM 1611 O VAL A 109 -45.733 -0.815 -7.576 1.00 1.00 O ATOM 1612 CB VAL A 109 -46.760 -2.952 -9.904 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -47.419 -3.502 -8.634 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -47.706 -3.260 -11.074 1.00 1.00 C ATOM 0 H VAL A 109 -45.779 -1.571 -11.752 1.00 1.00 H new ATOM 0 HA VAL A 109 -47.391 -0.940 -9.487 1.00 1.00 H new ATOM 0 HB VAL A 109 -45.793 -3.425 -10.074 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -47.613 -4.568 -8.757 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -46.754 -3.350 -7.784 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -48.359 -2.980 -8.457 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -47.883 -4.334 -11.126 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -48.653 -2.743 -10.922 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -47.254 -2.922 -12.006 1.00 1.00 H new ATOM 1624 N ALA A 110 -44.124 -1.406 -9.038 1.00 1.00 N ATOM 1625 CA ALA A 110 -42.998 -1.212 -8.127 1.00 1.00 C ATOM 1626 C ALA A 110 -42.896 0.230 -7.599 1.00 1.00 C ATOM 1627 O ALA A 110 -42.820 0.438 -6.386 1.00 1.00 O ATOM 1628 CB ALA A 110 -41.714 -1.639 -8.847 1.00 1.00 C ATOM 0 H ALA A 110 -43.842 -1.711 -9.970 1.00 1.00 H new ATOM 0 HA ALA A 110 -43.155 -1.831 -7.244 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -40.861 -1.501 -8.182 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -41.788 -2.689 -9.130 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -41.579 -1.031 -9.741 1.00 1.00 H new ATOM 1634 N GLU A 111 -42.929 1.239 -8.480 1.00 1.00 N ATOM 1635 CA GLU A 111 -42.870 2.647 -8.053 1.00 1.00 C ATOM 1636 C GLU A 111 -44.094 3.049 -7.214 1.00 1.00 C ATOM 1637 O GLU A 111 -43.957 3.755 -6.214 1.00 1.00 O ATOM 1638 CB GLU A 111 -42.654 3.595 -9.245 1.00 1.00 C ATOM 1639 CG GLU A 111 -43.806 3.702 -10.250 1.00 1.00 C ATOM 1640 CD GLU A 111 -43.443 4.659 -11.403 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -43.611 5.894 -11.246 1.00 1.00 O ATOM 1642 OE2 GLU A 111 -42.994 4.191 -12.477 1.00 1.00 O ATOM 0 H GLU A 111 -42.996 1.109 -9.489 1.00 1.00 H new ATOM 0 HA GLU A 111 -42.000 2.745 -7.404 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -42.447 4.592 -8.855 1.00 1.00 H new ATOM 0 HB3 GLU A 111 -41.762 3.271 -9.781 1.00 1.00 H new ATOM 0 HG2 GLU A 111 -44.037 2.715 -10.650 1.00 1.00 H new ATOM 0 HG3 GLU A 111 -44.703 4.059 -9.744 1.00 1.00 H new ATOM 1649 N SER A 112 -45.280 2.560 -7.593 1.00 1.00 N ATOM 1650 CA SER A 112 -46.537 2.803 -6.867 1.00 1.00 C ATOM 1651 C SER A 112 -46.519 2.193 -5.460 1.00 1.00 C ATOM 1652 O SER A 112 -47.010 2.811 -4.515 1.00 1.00 O ATOM 1653 CB SER A 112 -47.742 2.245 -7.633 1.00 1.00 C ATOM 1654 OG SER A 112 -47.883 2.875 -8.896 1.00 1.00 O ATOM 0 H SER A 112 -45.398 1.977 -8.422 1.00 1.00 H new ATOM 0 HA SER A 112 -46.630 3.885 -6.779 1.00 1.00 H new ATOM 0 HB2 SER A 112 -47.623 1.170 -7.771 1.00 1.00 H new ATOM 0 HB3 SER A 112 -48.649 2.392 -7.047 1.00 1.00 H new ATOM 0 HG SER A 112 -47.323 2.414 -9.556 1.00 1.00 H new ATOM 1660 N HIS A 113 -45.936 1.001 -5.291 1.00 1.00 N ATOM 1661 CA HIS A 113 -45.832 0.334 -3.990 1.00 1.00 C ATOM 1662 C HIS A 113 -45.006 1.161 -2.994 1.00 1.00 C ATOM 1663 O HIS A 113 -45.473 1.422 -1.887 1.00 1.00 O ATOM 1664 CB HIS A 113 -45.230 -1.063 -4.177 1.00 1.00 C ATOM 1665 CG HIS A 113 -45.021 -1.792 -2.874 1.00 1.00 C ATOM 1666 ND1 HIS A 113 -45.933 -2.605 -2.235 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -43.897 -1.754 -2.091 1.00 1.00 C ATOM 1668 CE1 HIS A 113 -45.367 -3.051 -1.100 1.00 1.00 C ATOM 1669 NE2 HIS A 113 -44.125 -2.557 -0.971 1.00 1.00 N ATOM 0 H HIS A 113 -45.521 0.470 -6.057 1.00 1.00 H new ATOM 0 HA HIS A 113 -46.833 0.238 -3.570 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -45.887 -1.653 -4.816 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -44.275 -0.975 -4.695 1.00 1.00 H new ATOM 0 HD1 HIS A 113 -46.872 -2.829 -2.565 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -42.994 -1.201 -2.303 1.00 1.00 H new ATOM 0 HE1 HIS A 113 -45.844 -3.713 -0.392 1.00 1.00 H new ATOM 1677 N TYR A 114 -43.812 1.621 -3.392 1.00 1.00 N ATOM 1678 CA TYR A 114 -42.915 2.444 -2.563 1.00 1.00 C ATOM 1679 C TYR A 114 -43.518 3.754 -2.009 1.00 1.00 C ATOM 1680 O TYR A 114 -42.951 4.329 -1.076 1.00 1.00 O ATOM 1681 CB TYR A 114 -41.582 2.681 -3.295 1.00 1.00 C ATOM 1682 CG TYR A 114 -40.528 1.626 -2.989 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -40.518 0.387 -3.660 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -39.568 1.887 -1.991 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -39.559 -0.591 -3.325 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -38.613 0.910 -1.648 1.00 1.00 C ATOM 1687 CZ TYR A 114 -38.616 -0.339 -2.306 1.00 1.00 C ATOM 1688 OH TYR A 114 -37.715 -1.295 -1.953 1.00 1.00 O ATOM 0 H TYR A 114 -43.433 1.428 -4.319 1.00 1.00 H new ATOM 0 HA TYR A 114 -42.738 1.857 -1.662 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -41.765 2.701 -4.369 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -41.194 3.662 -3.020 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -41.246 0.186 -4.432 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -39.564 2.842 -1.486 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -39.546 -1.535 -3.849 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -37.879 1.116 -0.883 1.00 1.00 H new ATOM 0 HH TYR A 114 -37.140 -0.954 -1.236 1.00 1.00 H new ATOM 1698 N ILE A 115 -44.664 4.215 -2.530 1.00 1.00 N ATOM 1699 CA ILE A 115 -45.384 5.420 -2.067 1.00 1.00 C ATOM 1700 C ILE A 115 -46.790 5.111 -1.513 1.00 1.00 C ATOM 1701 O ILE A 115 -47.538 6.032 -1.177 1.00 1.00 O ATOM 1702 CB ILE A 115 -45.370 6.537 -3.146 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -46.030 6.187 -4.502 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -43.917 6.971 -3.411 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -47.562 6.126 -4.488 1.00 1.00 C ATOM 0 H ILE A 115 -45.133 3.750 -3.307 1.00 1.00 H new ATOM 0 HA ILE A 115 -44.835 5.811 -1.210 1.00 1.00 H new ATOM 0 HB ILE A 115 -45.981 7.334 -2.722 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -45.719 6.926 -5.240 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -45.647 5.222 -4.836 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -43.904 7.755 -4.168 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -43.476 7.350 -2.489 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -43.341 6.116 -3.764 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -47.925 5.874 -5.484 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -47.889 5.365 -3.779 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -47.962 7.095 -4.190 1.00 1.00 H new ATOM 1717 N GLY A 116 -47.154 3.827 -1.389 1.00 1.00 N ATOM 1718 CA GLY A 116 -48.448 3.360 -0.879 1.00 1.00 C ATOM 1719 C GLY A 116 -48.405 2.894 0.582 1.00 1.00 C ATOM 1720 O GLY A 116 -47.348 2.559 1.127 1.00 1.00 O ATOM 0 H GLY A 116 -46.534 3.060 -1.650 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -49.177 4.165 -0.973 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -48.799 2.538 -1.503 1.00 1.00 H new ATOM 1724 N LYS A 117 -49.575 2.862 1.235 1.00 1.00 N ATOM 1725 CA LYS A 117 -49.733 2.487 2.655 1.00 1.00 C ATOM 1726 C LYS A 117 -49.171 1.104 3.007 1.00 1.00 C ATOM 1727 O LYS A 117 -48.605 0.950 4.086 1.00 1.00 O ATOM 1728 CB LYS A 117 -51.219 2.628 3.045 1.00 1.00 C ATOM 1729 CG LYS A 117 -51.540 2.396 4.534 1.00 1.00 C ATOM 1730 CD LYS A 117 -50.808 3.366 5.480 1.00 1.00 C ATOM 1731 CE LYS A 117 -51.241 3.203 6.945 1.00 1.00 C ATOM 1732 NZ LYS A 117 -52.623 3.695 7.191 1.00 1.00 N ATOM 0 H LYS A 117 -50.459 3.100 0.785 1.00 1.00 H new ATOM 0 HA LYS A 117 -49.128 3.174 3.247 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -51.555 3.628 2.771 1.00 1.00 H new ATOM 0 HB3 LYS A 117 -51.801 1.922 2.452 1.00 1.00 H new ATOM 0 HG2 LYS A 117 -52.615 2.496 4.685 1.00 1.00 H new ATOM 0 HG3 LYS A 117 -51.274 1.373 4.799 1.00 1.00 H new ATOM 0 HD2 LYS A 117 -49.733 3.201 5.402 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -50.997 4.391 5.161 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -51.179 2.151 7.223 1.00 1.00 H new ATOM 0 HE3 LYS A 117 -50.547 3.744 7.588 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 -52.847 3.609 8.203 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 -52.693 4.692 6.904 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 -53.297 3.128 6.638 1.00 1.00 H new ATOM 1746 N THR A 118 -49.278 0.117 2.116 1.00 1.00 N ATOM 1747 CA THR A 118 -48.744 -1.248 2.325 1.00 1.00 C ATOM 1748 C THR A 118 -47.243 -1.231 2.634 1.00 1.00 C ATOM 1749 O THR A 118 -46.776 -1.922 3.543 1.00 1.00 O ATOM 1750 CB THR A 118 -49.011 -2.131 1.090 1.00 1.00 C ATOM 1751 OG1 THR A 118 -50.369 -2.024 0.715 1.00 1.00 O ATOM 1752 CG2 THR A 118 -48.723 -3.610 1.349 1.00 1.00 C ATOM 0 H THR A 118 -49.742 0.235 1.215 1.00 1.00 H new ATOM 0 HA THR A 118 -49.263 -1.667 3.187 1.00 1.00 H new ATOM 0 HB THR A 118 -48.343 -1.776 0.305 1.00 1.00 H new ATOM 0 HG1 THR A 118 -50.536 -2.585 -0.071 1.00 1.00 H new ATOM 0 HG21 THR A 118 -48.928 -4.184 0.446 1.00 1.00 H new ATOM 0 HG22 THR A 118 -47.676 -3.734 1.628 1.00 1.00 H new ATOM 0 HG23 THR A 118 -49.359 -3.968 2.159 1.00 1.00 H new ATOM 1760 N HIS A 119 -46.480 -0.395 1.922 1.00 1.00 N ATOM 1761 CA HIS A 119 -45.048 -0.209 2.160 1.00 1.00 C ATOM 1762 C HIS A 119 -44.803 0.528 3.480 1.00 1.00 C ATOM 1763 O HIS A 119 -43.969 0.109 4.275 1.00 1.00 O ATOM 1764 CB HIS A 119 -44.447 0.547 0.975 1.00 1.00 C ATOM 1765 CG HIS A 119 -42.944 0.599 0.993 1.00 1.00 C ATOM 1766 ND1 HIS A 119 -42.103 -0.480 0.716 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -42.185 1.710 1.223 1.00 1.00 C ATOM 1768 CE1 HIS A 119 -40.854 0.009 0.772 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -40.872 1.317 1.082 1.00 1.00 N ATOM 0 H HIS A 119 -46.844 0.175 1.159 1.00 1.00 H new ATOM 0 HA HIS A 119 -44.561 -1.180 2.247 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -44.775 0.074 0.049 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -44.837 1.565 0.968 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -42.542 2.700 1.467 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -39.959 -0.568 0.593 1.00 1.00 H new ATOM 0 HE2 HIS A 119 -40.054 1.916 1.194 1.00 1.00 H new ATOM 1777 N ILE A 120 -45.564 1.594 3.757 1.00 1.00 N ATOM 1778 CA ILE A 120 -45.465 2.386 4.999 1.00 1.00 C ATOM 1779 C ILE A 120 -45.744 1.534 6.249 1.00 1.00 C ATOM 1780 O ILE A 120 -45.031 1.661 7.246 1.00 1.00 O ATOM 1781 CB ILE A 120 -46.329 3.664 4.904 1.00 1.00 C ATOM 1782 CG1 ILE A 120 -45.794 4.524 3.730 1.00 1.00 C ATOM 1783 CG2 ILE A 120 -46.306 4.458 6.225 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -46.562 5.828 3.480 1.00 1.00 C ATOM 0 H ILE A 120 -46.279 1.940 3.117 1.00 1.00 H new ATOM 0 HA ILE A 120 -44.435 2.722 5.114 1.00 1.00 H new ATOM 0 HB ILE A 120 -47.368 3.389 4.722 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -44.749 4.767 3.924 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -45.819 3.925 2.820 1.00 1.00 H new ATOM 0 HG21 ILE A 120 -46.923 5.351 6.124 1.00 1.00 H new ATOM 0 HG22 ILE A 120 -46.697 3.836 7.030 1.00 1.00 H new ATOM 0 HG23 ILE A 120 -45.282 4.750 6.456 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -46.113 6.359 2.641 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -47.603 5.599 3.250 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -46.516 6.454 4.371 1.00 1.00 H new ATOM 1796 N LYS A 121 -46.706 0.603 6.196 1.00 1.00 N ATOM 1797 CA LYS A 121 -46.968 -0.359 7.287 1.00 1.00 C ATOM 1798 C LYS A 121 -45.724 -1.211 7.580 1.00 1.00 C ATOM 1799 O LYS A 121 -45.423 -1.488 8.741 1.00 1.00 O ATOM 1800 CB LYS A 121 -48.178 -1.241 6.934 1.00 1.00 C ATOM 1801 CG LYS A 121 -49.504 -0.471 7.065 1.00 1.00 C ATOM 1802 CD LYS A 121 -50.707 -1.248 6.504 1.00 1.00 C ATOM 1803 CE LYS A 121 -50.963 -2.611 7.167 1.00 1.00 C ATOM 1804 NZ LYS A 121 -51.391 -2.487 8.587 1.00 1.00 N ATOM 0 H LYS A 121 -47.328 0.492 5.396 1.00 1.00 H new ATOM 0 HA LYS A 121 -47.202 0.198 8.194 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -48.072 -1.612 5.915 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -48.197 -2.112 7.590 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -49.683 -0.243 8.116 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -49.418 0.482 6.542 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -51.601 -0.634 6.613 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -50.555 -1.403 5.436 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -51.730 -3.145 6.606 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -50.055 -3.211 7.117 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -51.550 -3.434 8.986 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -50.650 -2.002 9.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -52.273 -1.938 8.637 1.00 1.00 H new ATOM 1818 N ASN A 122 -44.959 -1.564 6.543 1.00 1.00 N ATOM 1819 CA ASN A 122 -43.687 -2.278 6.681 1.00 1.00 C ATOM 1820 C ASN A 122 -42.568 -1.345 7.188 1.00 1.00 C ATOM 1821 O ASN A 122 -41.759 -1.794 7.996 1.00 1.00 O ATOM 1822 CB ASN A 122 -43.332 -2.988 5.365 1.00 1.00 C ATOM 1823 CG ASN A 122 -44.144 -4.260 5.177 1.00 1.00 C ATOM 1824 OD1 ASN A 122 -43.742 -5.339 5.589 1.00 1.00 O ATOM 1825 ND2 ASN A 122 -45.310 -4.193 4.574 1.00 1.00 N ATOM 0 H ASN A 122 -45.208 -1.360 5.575 1.00 1.00 H new ATOM 0 HA ASN A 122 -43.795 -3.050 7.443 1.00 1.00 H new ATOM 0 HB2 ASN A 122 -43.512 -2.314 4.528 1.00 1.00 H new ATOM 0 HB3 ASN A 122 -42.269 -3.230 5.357 1.00 1.00 H new ATOM 0 HD21 ASN A 122 -45.871 -5.036 4.453 1.00 1.00 H new ATOM 0 HD22 ASN A 122 -45.654 -3.298 4.227 1.00 1.00 H new ATOM 1832 N LEU A 123 -42.535 -0.053 6.815 1.00 1.00 N ATOM 1833 CA LEU A 123 -41.565 0.913 7.370 1.00 1.00 C ATOM 1834 C LEU A 123 -41.716 0.987 8.902 1.00 1.00 C ATOM 1835 O LEU A 123 -40.731 0.902 9.637 1.00 1.00 O ATOM 1836 CB LEU A 123 -41.746 2.336 6.792 1.00 1.00 C ATOM 1837 CG LEU A 123 -41.634 2.524 5.271 1.00 1.00 C ATOM 1838 CD1 LEU A 123 -41.829 4.002 4.922 1.00 1.00 C ATOM 1839 CD2 LEU A 123 -40.291 2.086 4.705 1.00 1.00 C ATOM 0 H LEU A 123 -43.172 0.350 6.128 1.00 1.00 H new ATOM 0 HA LEU A 123 -40.574 0.556 7.092 1.00 1.00 H new ATOM 0 HB2 LEU A 123 -42.727 2.698 7.100 1.00 1.00 H new ATOM 0 HB3 LEU A 123 -41.005 2.983 7.262 1.00 1.00 H new ATOM 0 HG LEU A 123 -42.407 1.895 4.829 1.00 1.00 H new ATOM 0 HD11 LEU A 123 -41.749 4.135 3.843 1.00 1.00 H new ATOM 0 HD12 LEU A 123 -42.814 4.328 5.256 1.00 1.00 H new ATOM 0 HD13 LEU A 123 -41.062 4.597 5.418 1.00 1.00 H new ATOM 0 HD21 LEU A 123 -40.281 2.246 3.627 1.00 1.00 H new ATOM 0 HD22 LEU A 123 -39.494 2.669 5.166 1.00 1.00 H new ATOM 0 HD23 LEU A 123 -40.135 1.028 4.916 1.00 1.00 H new ATOM 1851 N ARG A 124 -42.963 1.097 9.384 1.00 1.00 N ATOM 1852 CA ARG A 124 -43.313 1.135 10.817 1.00 1.00 C ATOM 1853 C ARG A 124 -42.924 -0.154 11.551 1.00 1.00 C ATOM 1854 O ARG A 124 -42.543 -0.094 12.721 1.00 1.00 O ATOM 1855 CB ARG A 124 -44.814 1.438 10.979 1.00 1.00 C ATOM 1856 CG ARG A 124 -45.165 2.866 10.522 1.00 1.00 C ATOM 1857 CD ARG A 124 -46.676 3.142 10.574 1.00 1.00 C ATOM 1858 NE ARG A 124 -47.207 3.133 11.954 1.00 1.00 N ATOM 1859 CZ ARG A 124 -47.193 4.128 12.826 1.00 1.00 C ATOM 1860 NH1 ARG A 124 -46.670 5.290 12.551 1.00 1.00 N ATOM 1861 NH2 ARG A 124 -47.712 3.972 14.009 1.00 1.00 N ATOM 0 H ARG A 124 -43.778 1.164 8.775 1.00 1.00 H new ATOM 0 HA ARG A 124 -42.735 1.935 11.280 1.00 1.00 H new ATOM 0 HB2 ARG A 124 -45.394 0.719 10.400 1.00 1.00 H new ATOM 0 HB3 ARG A 124 -45.099 1.311 12.023 1.00 1.00 H new ATOM 0 HG2 ARG A 124 -44.645 3.585 11.155 1.00 1.00 H new ATOM 0 HG3 ARG A 124 -44.805 3.018 9.504 1.00 1.00 H new ATOM 0 HD2 ARG A 124 -46.881 4.109 10.116 1.00 1.00 H new ATOM 0 HD3 ARG A 124 -47.200 2.391 9.982 1.00 1.00 H new ATOM 0 HE ARG A 124 -47.632 2.261 12.269 1.00 1.00 H new ATOM 0 HH11 ARG A 124 -46.252 5.457 11.636 1.00 1.00 H new ATOM 0 HH12 ARG A 124 -46.679 6.032 13.251 1.00 1.00 H new ATOM 0 HH21 ARG A 124 -48.132 3.079 14.268 1.00 1.00 H new ATOM 0 HH22 ARG A 124 -47.699 4.742 14.677 1.00 1.00 H new ATOM 1875 N LEU A 125 -42.979 -1.306 10.876 1.00 1.00 N ATOM 1876 CA LEU A 125 -42.563 -2.603 11.421 1.00 1.00 C ATOM 1877 C LEU A 125 -41.027 -2.700 11.501 1.00 1.00 C ATOM 1878 O LEU A 125 -40.491 -3.093 12.538 1.00 1.00 O ATOM 1879 CB LEU A 125 -43.171 -3.723 10.552 1.00 1.00 C ATOM 1880 CG LEU A 125 -42.851 -5.157 11.019 1.00 1.00 C ATOM 1881 CD1 LEU A 125 -43.385 -5.451 12.423 1.00 1.00 C ATOM 1882 CD2 LEU A 125 -43.479 -6.157 10.049 1.00 1.00 C ATOM 0 H LEU A 125 -43.321 -1.365 9.917 1.00 1.00 H new ATOM 0 HA LEU A 125 -42.931 -2.713 12.441 1.00 1.00 H new ATOM 0 HB2 LEU A 125 -44.254 -3.597 10.529 1.00 1.00 H new ATOM 0 HB3 LEU A 125 -42.815 -3.602 9.529 1.00 1.00 H new ATOM 0 HG LEU A 125 -41.765 -5.251 11.042 1.00 1.00 H new ATOM 0 HD11 LEU A 125 -43.132 -6.474 12.702 1.00 1.00 H new ATOM 0 HD12 LEU A 125 -42.936 -4.759 13.135 1.00 1.00 H new ATOM 0 HD13 LEU A 125 -44.468 -5.330 12.433 1.00 1.00 H new ATOM 0 HD21 LEU A 125 -43.254 -7.172 10.377 1.00 1.00 H new ATOM 0 HD22 LEU A 125 -44.559 -6.013 10.027 1.00 1.00 H new ATOM 0 HD23 LEU A 125 -43.072 -6.000 9.050 1.00 1.00 H new ATOM 1894 N ARG A 126 -40.316 -2.296 10.437 1.00 1.00 N ATOM 1895 CA ARG A 126 -38.839 -2.261 10.357 1.00 1.00 C ATOM 1896 C ARG A 126 -38.229 -1.336 11.416 1.00 1.00 C ATOM 1897 O ARG A 126 -37.198 -1.659 12.002 1.00 1.00 O ATOM 1898 CB ARG A 126 -38.407 -1.825 8.942 1.00 1.00 C ATOM 1899 CG ARG A 126 -38.676 -2.875 7.851 1.00 1.00 C ATOM 1900 CD ARG A 126 -37.654 -4.017 7.873 1.00 1.00 C ATOM 1901 NE ARG A 126 -37.912 -4.987 6.792 1.00 1.00 N ATOM 1902 CZ ARG A 126 -37.254 -6.107 6.559 1.00 1.00 C ATOM 1903 NH1 ARG A 126 -36.261 -6.507 7.303 1.00 1.00 N ATOM 1904 NH2 ARG A 126 -37.596 -6.848 5.547 1.00 1.00 N ATOM 0 H ARG A 126 -40.763 -1.973 9.579 1.00 1.00 H new ATOM 0 HA ARG A 126 -38.466 -3.265 10.558 1.00 1.00 H new ATOM 0 HB2 ARG A 126 -38.930 -0.905 8.682 1.00 1.00 H new ATOM 0 HB3 ARG A 126 -37.342 -1.594 8.954 1.00 1.00 H new ATOM 0 HG2 ARG A 126 -39.677 -3.285 7.984 1.00 1.00 H new ATOM 0 HG3 ARG A 126 -38.656 -2.393 6.874 1.00 1.00 H new ATOM 0 HD2 ARG A 126 -36.648 -3.610 7.767 1.00 1.00 H new ATOM 0 HD3 ARG A 126 -37.693 -4.524 8.837 1.00 1.00 H new ATOM 0 HE ARG A 126 -38.680 -4.769 6.157 1.00 1.00 H new ATOM 0 HH11 ARG A 126 -35.965 -5.947 8.102 1.00 1.00 H new ATOM 0 HH12 ARG A 126 -35.781 -7.380 7.086 1.00 1.00 H new ATOM 0 HH21 ARG A 126 -38.366 -6.562 4.942 1.00 1.00 H new ATOM 0 HH22 ARG A 126 -37.094 -7.716 5.358 1.00 1.00 H new ATOM 1918 N GLU A 127 -38.889 -0.211 11.694 1.00 1.00 N ATOM 1919 CA GLU A 127 -38.515 0.762 12.736 1.00 1.00 C ATOM 1920 C GLU A 127 -38.712 0.208 14.172 1.00 1.00 C ATOM 1921 O GLU A 127 -38.209 0.781 15.140 1.00 1.00 O ATOM 1922 CB GLU A 127 -39.340 2.042 12.495 1.00 1.00 C ATOM 1923 CG GLU A 127 -38.920 3.244 13.352 1.00 1.00 C ATOM 1924 CD GLU A 127 -39.621 4.532 12.877 1.00 1.00 C ATOM 1925 OE1 GLU A 127 -40.779 4.788 13.289 1.00 1.00 O ATOM 1926 OE2 GLU A 127 -39.013 5.307 12.098 1.00 1.00 O ATOM 0 H GLU A 127 -39.729 0.063 11.185 1.00 1.00 H new ATOM 0 HA GLU A 127 -37.449 0.980 12.664 1.00 1.00 H new ATOM 0 HB2 GLU A 127 -39.261 2.317 11.443 1.00 1.00 H new ATOM 0 HB3 GLU A 127 -40.390 1.824 12.689 1.00 1.00 H new ATOM 0 HG2 GLU A 127 -39.168 3.055 14.397 1.00 1.00 H new ATOM 0 HG3 GLU A 127 -37.839 3.373 13.299 1.00 1.00 H new ATOM 1933 N GLN A 128 -39.423 -0.919 14.315 1.00 1.00 N ATOM 1934 CA GLN A 128 -39.742 -1.592 15.579 1.00 1.00 C ATOM 1935 C GLN A 128 -39.415 -3.090 15.492 1.00 1.00 C ATOM 1936 O GLN A 128 -38.550 -3.595 16.222 1.00 1.00 O ATOM 1937 CB GLN A 128 -41.235 -1.401 15.896 1.00 1.00 C ATOM 1938 CG GLN A 128 -41.624 0.068 16.136 1.00 1.00 C ATOM 1939 CD GLN A 128 -43.130 0.218 16.330 1.00 1.00 C ATOM 1940 OE1 GLN A 128 -43.644 0.307 17.439 1.00 1.00 O ATOM 1941 NE2 GLN A 128 -43.895 0.242 15.260 1.00 1.00 N ATOM 0 H GLN A 128 -39.811 -1.410 13.509 1.00 1.00 H new ATOM 0 HA GLN A 128 -39.139 -1.154 16.374 1.00 1.00 H new ATOM 0 HB2 GLN A 128 -41.828 -1.796 15.071 1.00 1.00 H new ATOM 0 HB3 GLN A 128 -41.489 -1.986 16.780 1.00 1.00 H new ATOM 0 HG2 GLN A 128 -41.102 0.445 17.016 1.00 1.00 H new ATOM 0 HG3 GLN A 128 -41.302 0.675 15.290 1.00 1.00 H new ATOM 0 HE21 GLN A 128 -43.477 0.169 14.332 1.00 1.00 H new ATOM 0 HE22 GLN A 128 -44.906 0.334 15.358 1.00 1.00 H new TER 1950 GLN A 128 HETATM 1951 ZN ZN A 129 -5.323 6.728 7.157 1.00 1.00 ZN HETATM 1952 ZN ZN A 130 -42.408 -2.483 0.208 1.00 1.00 ZN