USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 756 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 MET CE :methyl -165:sc=-0.00675 (180deg=-0.517) USER MOD Set 1.2: A 95 SER OG : rot 12:sc= 0.00708 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 154:sc= -1.81 (180deg=-3.72!) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0.00597 USER MOD Set 3.1: A 44 ASN : amide:sc= 0.0647 K(o=-0.65,f=-2.7) USER MOD Set 3.2: A 76 SER OG : rot 80:sc= -0.716 USER MOD Set 4.1: A 22 LYS NZ :NH3+ -125:sc= 0 (180deg=0) USER MOD Set 4.2: A 71 GLN : amide:sc= -1.85 K(o=-1.9,f=-0.12) USER MOD Single : A 1 GLY N :NH3+ 177:sc= 0 (180deg=-0.0106) USER MOD Single : A 2 SER OG : rot 63:sc= 0.58 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -59:sc= 0.0727 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.0998 USER MOD Single : A 19 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 30:sc= -0.0232 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.904 X(o=-0.9,f=-0.48) USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0368) USER MOD Single : A 61 CYS SG : rot 180:sc= -0.279 USER MOD Single : A 62 GLN : amide:sc= -0.754 K(o=-0.75,f=-0.11) USER MOD Single : A 68 ASN : amide:sc= 1 K(o=1,f=-5.3!) USER MOD Single : A 69 ASN : amide:sc= -1.06 K(o=-1.1,f=-6.2!) USER MOD Single : A 70 CYS SG : rot 46:sc= -4.12! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 116:sc= 0.679 USER MOD Single : A 79 TYR OH : rot 96:sc= 0.244 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 CYS SG : rot -125:sc= -1.04 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 93:sc= 0.853 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.829 -11.229 -27.134 1.00 0.00 N ATOM 2 CA GLY A 1 -9.085 -10.201 -26.429 1.00 0.00 C ATOM 3 C GLY A 1 -9.454 -10.121 -24.961 1.00 0.00 C ATOM 4 O GLY A 1 -9.634 -9.031 -24.418 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.578 -11.209 -28.143 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.595 -12.161 -26.737 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.849 -11.054 -27.028 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.018 -10.402 -26.522 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.270 -9.236 -26.900 1.00 0.00 H new ATOM 8 N SER A 2 -9.570 -11.278 -24.317 1.00 0.00 N ATOM 9 CA SER A 2 -9.926 -11.334 -22.905 1.00 0.00 C ATOM 10 C SER A 2 -10.955 -10.261 -22.561 1.00 0.00 C ATOM 11 O SER A 2 -10.841 -9.579 -21.542 1.00 0.00 O ATOM 12 CB SER A 2 -8.680 -11.159 -22.035 1.00 0.00 C ATOM 13 OG SER A 2 -8.247 -9.809 -22.030 1.00 0.00 O ATOM 0 H SER A 2 -9.422 -12.189 -24.751 1.00 0.00 H new ATOM 0 HA SER A 2 -10.365 -12.311 -22.705 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.897 -11.479 -21.016 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.880 -11.799 -22.407 1.00 0.00 H new ATOM 0 HG SER A 2 -8.939 -9.245 -21.626 1.00 0.00 H new ATOM 19 N SER A 3 -11.960 -10.117 -23.418 1.00 0.00 N ATOM 20 CA SER A 3 -13.008 -9.125 -23.209 1.00 0.00 C ATOM 21 C SER A 3 -13.394 -9.046 -21.735 1.00 0.00 C ATOM 22 O SER A 3 -13.680 -10.060 -21.100 1.00 0.00 O ATOM 23 CB SER A 3 -14.239 -9.466 -24.052 1.00 0.00 C ATOM 24 OG SER A 3 -14.051 -9.087 -25.404 1.00 0.00 O ATOM 0 H SER A 3 -12.071 -10.675 -24.264 1.00 0.00 H new ATOM 0 HA SER A 3 -12.622 -8.154 -23.519 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.438 -10.536 -23.995 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.114 -8.957 -23.647 1.00 0.00 H new ATOM 0 HG SER A 3 -14.850 -9.317 -25.922 1.00 0.00 H new ATOM 30 N GLY A 4 -13.399 -7.830 -21.196 1.00 0.00 N ATOM 31 CA GLY A 4 -13.750 -7.639 -19.801 1.00 0.00 C ATOM 32 C GLY A 4 -12.882 -6.598 -19.121 1.00 0.00 C ATOM 33 O GLY A 4 -12.830 -5.446 -19.552 1.00 0.00 O ATOM 0 H GLY A 4 -13.166 -6.975 -21.701 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.795 -7.338 -19.731 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.655 -8.588 -19.273 1.00 0.00 H new ATOM 37 N SER A 5 -12.199 -7.003 -18.055 1.00 0.00 N ATOM 38 CA SER A 5 -11.334 -6.096 -17.312 1.00 0.00 C ATOM 39 C SER A 5 -12.139 -4.948 -16.710 1.00 0.00 C ATOM 40 O SER A 5 -11.784 -3.779 -16.863 1.00 0.00 O ATOM 41 CB SER A 5 -10.237 -5.542 -18.223 1.00 0.00 C ATOM 42 OG SER A 5 -9.201 -4.941 -17.467 1.00 0.00 O ATOM 0 H SER A 5 -12.228 -7.954 -17.687 1.00 0.00 H new ATOM 0 HA SER A 5 -10.872 -6.658 -16.500 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.826 -6.346 -18.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.664 -4.809 -18.907 1.00 0.00 H new ATOM 0 HG SER A 5 -9.571 -4.214 -16.925 1.00 0.00 H new ATOM 48 N SER A 6 -13.225 -5.291 -16.025 1.00 0.00 N ATOM 49 CA SER A 6 -14.084 -4.290 -15.403 1.00 0.00 C ATOM 50 C SER A 6 -13.903 -4.285 -13.888 1.00 0.00 C ATOM 51 O SER A 6 -13.352 -5.223 -13.315 1.00 0.00 O ATOM 52 CB SER A 6 -15.549 -4.556 -15.753 1.00 0.00 C ATOM 53 OG SER A 6 -15.757 -4.504 -17.154 1.00 0.00 O ATOM 0 H SER A 6 -13.531 -6.254 -15.887 1.00 0.00 H new ATOM 0 HA SER A 6 -13.798 -3.311 -15.789 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.845 -5.535 -15.375 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.183 -3.819 -15.261 1.00 0.00 H new ATOM 0 HG SER A 6 -16.701 -4.679 -17.351 1.00 0.00 H new ATOM 59 N GLY A 7 -14.373 -3.220 -13.246 1.00 0.00 N ATOM 60 CA GLY A 7 -14.254 -3.111 -11.803 1.00 0.00 C ATOM 61 C GLY A 7 -13.752 -1.750 -11.364 1.00 0.00 C ATOM 62 O GLY A 7 -14.458 -1.013 -10.677 1.00 0.00 O ATOM 0 H GLY A 7 -14.834 -2.431 -13.699 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.225 -3.301 -11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.574 -3.881 -11.438 1.00 0.00 H new ATOM 66 N ALA A 8 -12.528 -1.417 -11.759 1.00 0.00 N ATOM 67 CA ALA A 8 -11.932 -0.136 -11.402 1.00 0.00 C ATOM 68 C ALA A 8 -12.090 0.147 -9.911 1.00 0.00 C ATOM 69 O ALA A 8 -12.327 1.285 -9.508 1.00 0.00 O ATOM 70 CB ALA A 8 -12.555 0.983 -12.222 1.00 0.00 C ATOM 0 H ALA A 8 -11.930 -2.017 -12.327 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.866 -0.185 -11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.100 1.934 -11.945 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.385 0.795 -13.282 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.627 1.023 -12.028 1.00 0.00 H new ATOM 76 N ALA A 9 -11.958 -0.897 -9.099 1.00 0.00 N ATOM 77 CA ALA A 9 -12.086 -0.760 -7.653 1.00 0.00 C ATOM 78 C ALA A 9 -11.055 0.219 -7.102 1.00 0.00 C ATOM 79 O ALA A 9 -11.271 0.843 -6.062 1.00 0.00 O ATOM 80 CB ALA A 9 -11.941 -2.117 -6.980 1.00 0.00 C ATOM 0 H ALA A 9 -11.763 -1.846 -9.418 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.078 -0.363 -7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.039 -2.000 -5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.718 -2.789 -7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.962 -2.536 -7.212 1.00 0.00 H new ATOM 86 N PHE A 10 -9.934 0.349 -7.803 1.00 0.00 N ATOM 87 CA PHE A 10 -8.869 1.251 -7.383 1.00 0.00 C ATOM 88 C PHE A 10 -8.884 2.534 -8.209 1.00 0.00 C ATOM 89 O PHE A 10 -8.501 2.535 -9.379 1.00 0.00 O ATOM 90 CB PHE A 10 -7.508 0.563 -7.512 1.00 0.00 C ATOM 91 CG PHE A 10 -7.175 -0.331 -6.352 1.00 0.00 C ATOM 92 CD1 PHE A 10 -6.783 0.207 -5.136 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.256 -1.708 -6.476 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.475 -0.614 -4.068 1.00 0.00 C ATOM 95 CE2 PHE A 10 -6.950 -2.534 -5.411 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.560 -1.986 -4.205 1.00 0.00 C ATOM 0 H PHE A 10 -9.740 -0.160 -8.666 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.039 1.511 -6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.493 -0.025 -8.430 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.733 1.324 -7.608 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.718 1.279 -5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.562 -2.142 -7.417 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.168 -0.183 -3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.016 -3.606 -5.522 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.322 -2.629 -3.370 1.00 0.00 H new ATOM 106 N ALA A 11 -9.330 3.623 -7.593 1.00 0.00 N ATOM 107 CA ALA A 11 -9.394 4.912 -8.270 1.00 0.00 C ATOM 108 C ALA A 11 -7.997 5.442 -8.575 1.00 0.00 C ATOM 109 O ALA A 11 -7.786 6.126 -9.577 1.00 0.00 O ATOM 110 CB ALA A 11 -10.168 5.914 -7.426 1.00 0.00 C ATOM 0 H ALA A 11 -9.653 3.638 -6.625 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.916 4.771 -9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.208 6.872 -7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.181 5.547 -7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.670 6.042 -6.465 1.00 0.00 H new ATOM 116 N LYS A 12 -7.045 5.123 -7.704 1.00 0.00 N ATOM 117 CA LYS A 12 -5.667 5.566 -7.880 1.00 0.00 C ATOM 118 C LYS A 12 -4.688 4.519 -7.359 1.00 0.00 C ATOM 119 O LYS A 12 -4.522 4.358 -6.150 1.00 0.00 O ATOM 120 CB LYS A 12 -5.441 6.895 -7.156 1.00 0.00 C ATOM 121 CG LYS A 12 -4.067 7.496 -7.402 1.00 0.00 C ATOM 122 CD LYS A 12 -4.020 8.260 -8.714 1.00 0.00 C ATOM 123 CE LYS A 12 -2.594 8.401 -9.226 1.00 0.00 C ATOM 124 NZ LYS A 12 -2.557 8.803 -10.659 1.00 0.00 N ATOM 0 H LYS A 12 -7.203 4.559 -6.869 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.490 5.705 -8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.202 7.607 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.575 6.743 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.809 8.165 -6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.319 6.703 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.626 7.744 -9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.458 9.249 -8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.065 9.142 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.068 7.455 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.568 8.888 -10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.040 8.083 -11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.037 9.718 -10.775 1.00 0.00 H new ATOM 138 N ILE A 13 -4.042 3.810 -8.279 1.00 0.00 N ATOM 139 CA ILE A 13 -3.078 2.781 -7.912 1.00 0.00 C ATOM 140 C ILE A 13 -1.750 3.398 -7.486 1.00 0.00 C ATOM 141 O ILE A 13 -1.473 4.563 -7.775 1.00 0.00 O ATOM 142 CB ILE A 13 -2.827 1.803 -9.075 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.292 2.555 -10.296 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.106 1.057 -9.425 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.783 2.645 -10.336 1.00 0.00 C ATOM 0 H ILE A 13 -4.169 3.930 -9.284 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.507 2.233 -7.073 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.078 1.075 -8.763 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.642 2.058 -11.201 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.708 3.562 -10.304 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.913 0.370 -10.249 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.449 0.495 -8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.874 1.771 -9.721 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.475 3.191 -11.228 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.426 3.168 -9.449 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.359 1.641 -10.360 1.00 0.00 H new ATOM 157 N LEU A 14 -0.930 2.609 -6.800 1.00 0.00 N ATOM 158 CA LEU A 14 0.371 3.077 -6.335 1.00 0.00 C ATOM 159 C LEU A 14 1.321 3.296 -7.508 1.00 0.00 C ATOM 160 O LEU A 14 1.232 2.613 -8.529 1.00 0.00 O ATOM 161 CB LEU A 14 0.976 2.071 -5.355 1.00 0.00 C ATOM 162 CG LEU A 14 0.079 1.642 -4.194 1.00 0.00 C ATOM 163 CD1 LEU A 14 0.401 0.218 -3.768 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.231 2.598 -3.020 1.00 0.00 C ATOM 0 H LEU A 14 -1.143 1.642 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 14 0.227 4.030 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.265 1.180 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.889 2.500 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.957 1.674 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.248 -0.070 -2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.240 -0.458 -4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.442 0.160 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.415 2.277 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.268 2.599 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.051 3.604 -3.331 1.00 0.00 H new ATOM 176 N ASP A 15 2.232 4.251 -7.354 1.00 0.00 N ATOM 177 CA ASP A 15 3.202 4.558 -8.399 1.00 0.00 C ATOM 178 C ASP A 15 3.893 3.289 -8.889 1.00 0.00 C ATOM 179 O ASP A 15 3.964 2.281 -8.187 1.00 0.00 O ATOM 180 CB ASP A 15 4.242 5.553 -7.883 1.00 0.00 C ATOM 181 CG ASP A 15 3.720 6.976 -7.859 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.479 7.539 -8.949 1.00 0.00 O ATOM 183 OD2 ASP A 15 3.551 7.527 -6.752 1.00 0.00 O ATOM 0 H ASP A 15 2.319 4.826 -6.516 1.00 0.00 H new ATOM 0 HA ASP A 15 2.667 5.005 -9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.549 5.265 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.130 5.505 -8.513 1.00 0.00 H new ATOM 188 N PRO A 16 4.413 3.338 -10.125 1.00 0.00 N ATOM 189 CA PRO A 16 5.107 2.201 -10.736 1.00 0.00 C ATOM 190 C PRO A 16 6.452 1.918 -10.075 1.00 0.00 C ATOM 191 O PRO A 16 7.079 0.892 -10.337 1.00 0.00 O ATOM 192 CB PRO A 16 5.309 2.647 -12.187 1.00 0.00 C ATOM 193 CG PRO A 16 5.309 4.136 -12.129 1.00 0.00 C ATOM 194 CD PRO A 16 4.366 4.507 -11.019 1.00 0.00 C ATOM 0 HA PRO A 16 4.540 1.276 -10.634 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.247 2.267 -12.591 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.511 2.276 -12.830 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.311 4.519 -11.934 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.983 4.563 -13.077 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.684 5.416 -10.509 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.358 4.687 -11.392 1.00 0.00 H new ATOM 202 N ALA A 17 6.888 2.834 -9.216 1.00 0.00 N ATOM 203 CA ALA A 17 8.156 2.681 -8.515 1.00 0.00 C ATOM 204 C ALA A 17 8.359 3.798 -7.497 1.00 0.00 C ATOM 205 O ALA A 17 7.960 4.940 -7.726 1.00 0.00 O ATOM 206 CB ALA A 17 9.308 2.654 -9.508 1.00 0.00 C ATOM 0 H ALA A 17 6.381 3.690 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 17 8.133 1.734 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.249 2.539 -8.970 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.178 1.817 -10.194 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.324 3.586 -10.072 1.00 0.00 H new ATOM 212 N TYR A 18 8.982 3.461 -6.373 1.00 0.00 N ATOM 213 CA TYR A 18 9.235 4.436 -5.318 1.00 0.00 C ATOM 214 C TYR A 18 10.726 4.535 -5.014 1.00 0.00 C ATOM 215 O TYR A 18 11.503 3.650 -5.371 1.00 0.00 O ATOM 216 CB TYR A 18 8.469 4.056 -4.050 1.00 0.00 C ATOM 217 CG TYR A 18 6.982 4.320 -4.138 1.00 0.00 C ATOM 218 CD1 TYR A 18 6.170 3.558 -4.969 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.390 5.330 -3.390 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.812 3.796 -5.054 1.00 0.00 C ATOM 221 CE2 TYR A 18 5.032 5.573 -3.467 1.00 0.00 C ATOM 222 CZ TYR A 18 4.248 4.804 -4.301 1.00 0.00 C ATOM 223 OH TYR A 18 2.895 5.043 -4.381 1.00 0.00 O ATOM 0 H TYR A 18 9.321 2.521 -6.169 1.00 0.00 H new ATOM 0 HA TYR A 18 8.888 5.409 -5.667 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.630 2.998 -3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.879 4.613 -3.207 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.608 2.766 -5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.002 5.935 -2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.195 3.196 -5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.587 6.361 -2.877 1.00 0.00 H new ATOM 0 HH TYR A 18 2.658 5.786 -3.787 1.00 0.00 H new ATOM 233 N GLN A 19 11.118 5.619 -4.352 1.00 0.00 N ATOM 234 CA GLN A 19 12.516 5.834 -3.999 1.00 0.00 C ATOM 235 C GLN A 19 12.635 6.586 -2.678 1.00 0.00 C ATOM 236 O GLN A 19 12.053 7.658 -2.507 1.00 0.00 O ATOM 237 CB GLN A 19 13.230 6.611 -5.107 1.00 0.00 C ATOM 238 CG GLN A 19 13.157 5.936 -6.467 1.00 0.00 C ATOM 239 CD GLN A 19 11.936 6.353 -7.262 1.00 0.00 C ATOM 240 OE1 GLN A 19 11.284 7.348 -6.944 1.00 0.00 O ATOM 241 NE2 GLN A 19 11.619 5.593 -8.304 1.00 0.00 N ATOM 0 H GLN A 19 10.487 6.361 -4.050 1.00 0.00 H new ATOM 0 HA GLN A 19 12.989 4.859 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.793 7.607 -5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.276 6.742 -4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.055 6.176 -7.036 1.00 0.00 H new ATOM 0 HG3 GLN A 19 13.145 4.855 -6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.187 4.777 -8.532 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.807 5.825 -8.876 1.00 0.00 H new ATOM 250 N VAL A 20 13.392 6.017 -1.745 1.00 0.00 N ATOM 251 CA VAL A 20 13.588 6.634 -0.438 1.00 0.00 C ATOM 252 C VAL A 20 15.020 6.444 0.050 1.00 0.00 C ATOM 253 O VAL A 20 15.785 5.670 -0.525 1.00 0.00 O ATOM 254 CB VAL A 20 12.619 6.052 0.608 1.00 0.00 C ATOM 255 CG1 VAL A 20 13.057 4.656 1.024 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.524 6.972 1.816 1.00 0.00 C ATOM 0 H VAL A 20 13.880 5.130 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 20 13.386 7.699 -0.557 1.00 0.00 H new ATOM 0 HB VAL A 20 11.629 5.977 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.360 4.261 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.068 4.003 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.057 4.702 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.835 6.545 2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.510 7.081 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.159 7.950 1.501 1.00 0.00 H new ATOM 266 N ASP A 21 15.375 7.156 1.114 1.00 0.00 N ATOM 267 CA ASP A 21 16.715 7.065 1.682 1.00 0.00 C ATOM 268 C ASP A 21 16.791 5.948 2.719 1.00 0.00 C ATOM 269 O ASP A 21 15.858 5.741 3.495 1.00 0.00 O ATOM 270 CB ASP A 21 17.113 8.397 2.319 1.00 0.00 C ATOM 271 CG ASP A 21 16.086 8.890 3.320 1.00 0.00 C ATOM 272 OD1 ASP A 21 15.780 8.143 4.272 1.00 0.00 O ATOM 273 OD2 ASP A 21 15.589 10.023 3.149 1.00 0.00 O ATOM 0 H ASP A 21 14.754 7.802 1.600 1.00 0.00 H new ATOM 0 HA ASP A 21 17.410 6.835 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.076 8.285 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.243 9.146 1.538 1.00 0.00 H new ATOM 278 N LYS A 22 17.909 5.230 2.725 1.00 0.00 N ATOM 279 CA LYS A 22 18.109 4.133 3.666 1.00 0.00 C ATOM 280 C LYS A 22 17.579 4.499 5.049 1.00 0.00 C ATOM 281 O LYS A 22 17.491 5.675 5.399 1.00 0.00 O ATOM 282 CB LYS A 22 19.594 3.776 3.756 1.00 0.00 C ATOM 283 CG LYS A 22 19.876 2.561 4.623 1.00 0.00 C ATOM 284 CD LYS A 22 21.351 2.454 4.970 1.00 0.00 C ATOM 285 CE LYS A 22 21.706 3.322 6.168 1.00 0.00 C ATOM 286 NZ LYS A 22 21.522 2.595 7.454 1.00 0.00 N ATOM 0 H LYS A 22 18.691 5.388 2.089 1.00 0.00 H new ATOM 0 HA LYS A 22 17.555 3.268 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.976 3.592 2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 22 20.141 4.631 4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.289 2.623 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.558 1.659 4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.601 1.415 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.951 2.755 4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 22 22.741 3.653 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 22 21.084 4.217 6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 20.889 3.140 8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 21.104 1.661 7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 22.444 2.475 7.920 1.00 0.00 H new ATOM 300 N GLY A 23 17.227 3.483 5.831 1.00 0.00 N ATOM 301 CA GLY A 23 16.711 3.719 7.166 1.00 0.00 C ATOM 302 C GLY A 23 15.799 4.928 7.231 1.00 0.00 C ATOM 303 O GLY A 23 15.820 5.679 8.205 1.00 0.00 O ATOM 0 H GLY A 23 17.290 2.501 5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.165 2.838 7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.544 3.859 7.855 1.00 0.00 H new ATOM 307 N GLY A 24 14.996 5.118 6.188 1.00 0.00 N ATOM 308 CA GLY A 24 14.086 6.248 6.149 1.00 0.00 C ATOM 309 C GLY A 24 12.633 5.825 6.243 1.00 0.00 C ATOM 310 O GLY A 24 12.303 4.865 6.939 1.00 0.00 O ATOM 0 H GLY A 24 14.960 4.510 5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.318 6.926 6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.241 6.803 5.224 1.00 0.00 H new ATOM 314 N ARG A 25 11.763 6.543 5.541 1.00 0.00 N ATOM 315 CA ARG A 25 10.337 6.239 5.551 1.00 0.00 C ATOM 316 C ARG A 25 9.715 6.503 4.182 1.00 0.00 C ATOM 317 O ARG A 25 9.875 7.583 3.614 1.00 0.00 O ATOM 318 CB ARG A 25 9.623 7.072 6.616 1.00 0.00 C ATOM 319 CG ARG A 25 8.208 6.601 6.912 1.00 0.00 C ATOM 320 CD ARG A 25 7.396 7.680 7.610 1.00 0.00 C ATOM 321 NE ARG A 25 7.610 7.676 9.055 1.00 0.00 N ATOM 322 CZ ARG A 25 7.293 8.694 9.847 1.00 0.00 C ATOM 323 NH1 ARG A 25 6.751 9.792 9.338 1.00 0.00 N ATOM 324 NH2 ARG A 25 7.518 8.616 11.153 1.00 0.00 N ATOM 0 H ARG A 25 12.020 7.339 4.958 1.00 0.00 H new ATOM 0 HA ARG A 25 10.219 5.182 5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.206 7.045 7.537 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.590 8.112 6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.715 6.318 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.244 5.709 7.538 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.666 8.656 7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.337 7.530 7.400 1.00 0.00 H new ATOM 0 HE ARG A 25 8.025 6.846 9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.576 9.857 8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.509 10.572 9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.935 7.774 11.549 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.274 9.398 11.760 1.00 0.00 H new ATOM 338 N VAL A 26 9.007 5.508 3.658 1.00 0.00 N ATOM 339 CA VAL A 26 8.360 5.632 2.357 1.00 0.00 C ATOM 340 C VAL A 26 6.886 5.987 2.508 1.00 0.00 C ATOM 341 O VAL A 26 6.333 5.936 3.607 1.00 0.00 O ATOM 342 CB VAL A 26 8.483 4.331 1.543 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.945 4.000 1.280 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.790 3.184 2.264 1.00 0.00 C ATOM 0 H VAL A 26 8.867 4.607 4.114 1.00 0.00 H new ATOM 0 HA VAL A 26 8.871 6.434 1.825 1.00 0.00 H new ATOM 0 HB VAL A 26 7.990 4.477 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.011 3.077 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.407 4.812 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.466 3.873 2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.887 2.272 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.252 3.036 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.734 3.421 2.395 1.00 0.00 H new ATOM 354 N ARG A 27 6.253 6.348 1.396 1.00 0.00 N ATOM 355 CA ARG A 27 4.841 6.712 1.404 1.00 0.00 C ATOM 356 C ARG A 27 4.055 5.865 0.408 1.00 0.00 C ATOM 357 O ARG A 27 4.415 5.775 -0.766 1.00 0.00 O ATOM 358 CB ARG A 27 4.674 8.196 1.072 1.00 0.00 C ATOM 359 CG ARG A 27 3.236 8.681 1.156 1.00 0.00 C ATOM 360 CD ARG A 27 3.133 10.172 0.875 1.00 0.00 C ATOM 361 NE ARG A 27 3.845 10.967 1.872 1.00 0.00 N ATOM 362 CZ ARG A 27 5.144 11.236 1.806 1.00 0.00 C ATOM 363 NH1 ARG A 27 5.870 10.776 0.797 1.00 0.00 N ATOM 364 NH2 ARG A 27 5.720 11.967 2.752 1.00 0.00 N ATOM 0 H ARG A 27 6.696 6.396 0.478 1.00 0.00 H new ATOM 0 HA ARG A 27 4.448 6.523 2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.287 8.784 1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.052 8.379 0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.623 8.132 0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.837 8.468 2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.539 10.383 -0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.084 10.466 0.859 1.00 0.00 H new ATOM 0 HE ARG A 27 3.316 11.336 2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.431 10.213 0.068 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.867 10.985 0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.165 12.323 3.530 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.718 12.173 2.701 1.00 0.00 H new ATOM 378 N PHE A 28 2.981 5.245 0.884 1.00 0.00 N ATOM 379 CA PHE A 28 2.144 4.404 0.036 1.00 0.00 C ATOM 380 C PHE A 28 0.665 4.648 0.318 1.00 0.00 C ATOM 381 O PHE A 28 0.144 4.241 1.357 1.00 0.00 O ATOM 382 CB PHE A 28 2.480 2.928 0.255 1.00 0.00 C ATOM 383 CG PHE A 28 3.828 2.534 -0.279 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.071 2.526 -1.643 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.851 2.171 0.583 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.310 2.165 -2.138 1.00 0.00 C ATOM 387 CE2 PHE A 28 6.091 1.809 0.093 1.00 0.00 C ATOM 388 CZ PHE A 28 6.321 1.805 -1.269 1.00 0.00 C ATOM 0 H PHE A 28 2.669 5.309 1.853 1.00 0.00 H new ATOM 0 HA PHE A 28 2.345 4.665 -1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.443 2.710 1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.716 2.315 -0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.283 2.805 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.677 2.171 1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.487 2.164 -3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.880 1.529 0.775 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.289 1.521 -1.653 1.00 0.00 H new ATOM 398 N VAL A 29 -0.008 5.316 -0.614 1.00 0.00 N ATOM 399 CA VAL A 29 -1.427 5.614 -0.467 1.00 0.00 C ATOM 400 C VAL A 29 -2.186 5.325 -1.757 1.00 0.00 C ATOM 401 O VAL A 29 -1.611 5.346 -2.846 1.00 0.00 O ATOM 402 CB VAL A 29 -1.654 7.085 -0.069 1.00 0.00 C ATOM 403 CG1 VAL A 29 -0.996 8.017 -1.075 1.00 0.00 C ATOM 404 CG2 VAL A 29 -3.141 7.380 0.052 1.00 0.00 C ATOM 0 H VAL A 29 0.408 5.661 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.805 4.969 0.326 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.193 7.256 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.167 9.052 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.076 7.820 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.425 7.848 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.283 8.423 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.628 7.193 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.579 6.735 0.814 1.00 0.00 H new ATOM 414 N VAL A 30 -3.481 5.056 -1.628 1.00 0.00 N ATOM 415 CA VAL A 30 -4.321 4.765 -2.784 1.00 0.00 C ATOM 416 C VAL A 30 -5.740 5.281 -2.577 1.00 0.00 C ATOM 417 O VAL A 30 -6.102 5.706 -1.480 1.00 0.00 O ATOM 418 CB VAL A 30 -4.372 3.253 -3.074 1.00 0.00 C ATOM 419 CG1 VAL A 30 -3.017 2.754 -3.552 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.824 2.490 -1.838 1.00 0.00 C ATOM 0 H VAL A 30 -3.972 5.033 -0.734 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.874 5.276 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.097 3.077 -3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.073 1.684 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.737 3.279 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.268 2.941 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.855 1.423 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.124 2.671 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.818 2.828 -1.545 1.00 0.00 H new ATOM 430 N GLU A 31 -6.540 5.238 -3.638 1.00 0.00 N ATOM 431 CA GLU A 31 -7.921 5.702 -3.571 1.00 0.00 C ATOM 432 C GLU A 31 -8.892 4.570 -3.898 1.00 0.00 C ATOM 433 O GLU A 31 -8.645 3.765 -4.797 1.00 0.00 O ATOM 434 CB GLU A 31 -8.138 6.869 -4.536 1.00 0.00 C ATOM 435 CG GLU A 31 -7.801 8.224 -3.938 1.00 0.00 C ATOM 436 CD GLU A 31 -7.642 9.303 -4.991 1.00 0.00 C ATOM 437 OE1 GLU A 31 -7.249 8.968 -6.129 1.00 0.00 O ATOM 438 OE2 GLU A 31 -7.909 10.482 -4.679 1.00 0.00 O ATOM 0 H GLU A 31 -6.256 4.887 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.114 6.041 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.528 6.712 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.179 6.873 -4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.587 8.515 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.878 8.144 -3.363 1.00 0.00 H new ATOM 445 N LEU A 32 -9.995 4.514 -3.161 1.00 0.00 N ATOM 446 CA LEU A 32 -11.004 3.481 -3.371 1.00 0.00 C ATOM 447 C LEU A 32 -12.284 4.078 -3.946 1.00 0.00 C ATOM 448 O LEU A 32 -12.866 4.995 -3.368 1.00 0.00 O ATOM 449 CB LEU A 32 -11.309 2.763 -2.055 1.00 0.00 C ATOM 450 CG LEU A 32 -10.097 2.357 -1.215 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.465 2.296 0.259 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.548 1.018 -1.685 1.00 0.00 C ATOM 0 H LEU A 32 -10.214 5.171 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.607 2.761 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.945 3.410 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.887 1.867 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.321 3.111 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.590 2.006 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.811 3.276 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.258 1.563 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.686 0.744 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.319 0.254 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.245 1.095 -2.729 1.00 0.00 H new ATOM 464 N ALA A 33 -12.717 3.550 -5.086 1.00 0.00 N ATOM 465 CA ALA A 33 -13.930 4.028 -5.737 1.00 0.00 C ATOM 466 C ALA A 33 -15.108 4.034 -4.768 1.00 0.00 C ATOM 467 O ALA A 33 -16.057 4.800 -4.934 1.00 0.00 O ATOM 468 CB ALA A 33 -14.249 3.171 -6.953 1.00 0.00 C ATOM 0 H ALA A 33 -12.245 2.791 -5.578 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.757 5.053 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.157 3.539 -7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.422 3.222 -7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.397 2.137 -6.641 1.00 0.00 H new ATOM 474 N ASP A 34 -15.039 3.175 -3.757 1.00 0.00 N ATOM 475 CA ASP A 34 -16.100 3.081 -2.760 1.00 0.00 C ATOM 476 C ASP A 34 -15.540 2.646 -1.410 1.00 0.00 C ATOM 477 O ASP A 34 -14.658 1.792 -1.322 1.00 0.00 O ATOM 478 CB ASP A 34 -17.176 2.097 -3.221 1.00 0.00 C ATOM 479 CG ASP A 34 -18.550 2.448 -2.684 1.00 0.00 C ATOM 480 OD1 ASP A 34 -19.080 3.513 -3.062 1.00 0.00 O ATOM 481 OD2 ASP A 34 -19.095 1.657 -1.885 1.00 0.00 O ATOM 0 H ASP A 34 -14.260 2.534 -3.606 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.547 4.069 -2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.208 2.082 -4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.908 1.092 -2.896 1.00 0.00 H new ATOM 486 N PRO A 35 -16.062 3.247 -0.330 1.00 0.00 N ATOM 487 CA PRO A 35 -15.629 2.938 1.035 1.00 0.00 C ATOM 488 C PRO A 35 -16.063 1.546 1.480 1.00 0.00 C ATOM 489 O PRO A 35 -15.527 0.995 2.442 1.00 0.00 O ATOM 490 CB PRO A 35 -16.324 4.010 1.879 1.00 0.00 C ATOM 491 CG PRO A 35 -17.520 4.402 1.082 1.00 0.00 C ATOM 492 CD PRO A 35 -17.117 4.275 -0.361 1.00 0.00 C ATOM 0 HA PRO A 35 -14.543 2.940 1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.610 3.621 2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.668 4.863 2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.368 3.756 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.826 5.422 1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.956 3.972 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.747 5.219 -0.760 1.00 0.00 H new ATOM 500 N LYS A 36 -17.036 0.981 0.774 1.00 0.00 N ATOM 501 CA LYS A 36 -17.541 -0.349 1.094 1.00 0.00 C ATOM 502 C LYS A 36 -16.468 -1.409 0.866 1.00 0.00 C ATOM 503 O LYS A 36 -16.393 -2.399 1.596 1.00 0.00 O ATOM 504 CB LYS A 36 -18.774 -0.667 0.246 1.00 0.00 C ATOM 505 CG LYS A 36 -20.001 0.144 0.628 1.00 0.00 C ATOM 506 CD LYS A 36 -21.148 -0.092 -0.340 1.00 0.00 C ATOM 507 CE LYS A 36 -22.274 0.908 -0.123 1.00 0.00 C ATOM 508 NZ LYS A 36 -23.587 0.372 -0.576 1.00 0.00 N ATOM 0 H LYS A 36 -17.491 1.424 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.819 -0.360 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.540 -0.484 -0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.006 -1.728 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -20.315 -0.122 1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.748 1.204 0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.783 -0.014 -1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.530 -1.105 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -22.332 1.165 0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.052 1.828 -0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -24.328 1.083 -0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -23.540 0.150 -1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -23.812 -0.492 -0.043 1.00 0.00 H new ATOM 522 N LEU A 37 -15.637 -1.194 -0.148 1.00 0.00 N ATOM 523 CA LEU A 37 -14.566 -2.130 -0.471 1.00 0.00 C ATOM 524 C LEU A 37 -13.540 -2.194 0.656 1.00 0.00 C ATOM 525 O LEU A 37 -13.448 -1.280 1.476 1.00 0.00 O ATOM 526 CB LEU A 37 -13.882 -1.722 -1.777 1.00 0.00 C ATOM 527 CG LEU A 37 -14.772 -1.689 -3.019 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.036 -1.048 -4.186 1.00 0.00 C ATOM 529 CD2 LEU A 37 -15.232 -3.093 -3.383 1.00 0.00 C ATOM 0 H LEU A 37 -15.684 -0.380 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.006 -3.120 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.445 -0.733 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.058 -2.411 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.652 -1.086 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.685 -1.033 -5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.757 -0.027 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.138 -1.624 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.865 -3.050 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.363 -3.719 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.798 -3.517 -2.554 1.00 0.00 H new ATOM 541 N GLU A 38 -12.770 -3.277 0.688 1.00 0.00 N ATOM 542 CA GLU A 38 -11.750 -3.458 1.714 1.00 0.00 C ATOM 543 C GLU A 38 -10.351 -3.382 1.110 1.00 0.00 C ATOM 544 O GLU A 38 -10.163 -3.632 -0.081 1.00 0.00 O ATOM 545 CB GLU A 38 -11.940 -4.801 2.422 1.00 0.00 C ATOM 546 CG GLU A 38 -11.181 -4.910 3.734 1.00 0.00 C ATOM 547 CD GLU A 38 -11.392 -6.245 4.421 1.00 0.00 C ATOM 548 OE1 GLU A 38 -11.638 -7.244 3.712 1.00 0.00 O ATOM 549 OE2 GLU A 38 -11.311 -6.292 5.666 1.00 0.00 O ATOM 0 H GLU A 38 -12.833 -4.042 0.016 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.857 -2.654 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.002 -4.955 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.616 -5.602 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.117 -4.766 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.499 -4.108 4.401 1.00 0.00 H new ATOM 556 N VAL A 39 -9.372 -3.035 1.939 1.00 0.00 N ATOM 557 CA VAL A 39 -7.990 -2.927 1.488 1.00 0.00 C ATOM 558 C VAL A 39 -7.091 -3.910 2.229 1.00 0.00 C ATOM 559 O VAL A 39 -7.303 -4.196 3.407 1.00 0.00 O ATOM 560 CB VAL A 39 -7.445 -1.500 1.687 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.250 -0.501 0.870 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.456 -1.127 3.162 1.00 0.00 C ATOM 0 H VAL A 39 -9.511 -2.824 2.927 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.985 -3.166 0.424 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.414 -1.472 1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.850 0.501 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.185 -0.759 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.293 -0.528 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.068 -0.116 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.477 -1.172 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.831 -1.825 3.719 1.00 0.00 H new ATOM 572 N LYS A 40 -6.086 -4.426 1.530 1.00 0.00 N ATOM 573 CA LYS A 40 -5.152 -5.377 2.120 1.00 0.00 C ATOM 574 C LYS A 40 -3.751 -5.194 1.544 1.00 0.00 C ATOM 575 O LYS A 40 -3.555 -5.265 0.331 1.00 0.00 O ATOM 576 CB LYS A 40 -5.630 -6.811 1.878 1.00 0.00 C ATOM 577 CG LYS A 40 -7.060 -7.059 2.328 1.00 0.00 C ATOM 578 CD LYS A 40 -7.314 -8.534 2.590 1.00 0.00 C ATOM 579 CE LYS A 40 -6.992 -8.908 4.029 1.00 0.00 C ATOM 580 NZ LYS A 40 -7.456 -10.283 4.361 1.00 0.00 N ATOM 0 H LYS A 40 -5.897 -4.201 0.553 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.112 -5.189 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.548 -7.038 0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.968 -7.499 2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.262 -6.488 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.750 -6.700 1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.357 -8.768 2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.707 -9.135 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.916 -8.839 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.462 -8.193 4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.218 -10.500 5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.486 -10.342 4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.988 -10.968 3.734 1.00 0.00 H new ATOM 594 N TRP A 41 -2.782 -4.959 2.421 1.00 0.00 N ATOM 595 CA TRP A 41 -1.399 -4.767 1.999 1.00 0.00 C ATOM 596 C TRP A 41 -0.606 -6.062 2.129 1.00 0.00 C ATOM 597 O TRP A 41 -0.747 -6.792 3.110 1.00 0.00 O ATOM 598 CB TRP A 41 -0.739 -3.664 2.829 1.00 0.00 C ATOM 599 CG TRP A 41 -1.403 -2.329 2.678 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.574 -1.926 3.254 1.00 0.00 C ATOM 601 CD2 TRP A 41 -0.936 -1.223 1.899 1.00 0.00 C ATOM 602 NE1 TRP A 41 -2.863 -0.636 2.880 1.00 0.00 N ATOM 603 CE2 TRP A 41 -1.873 -0.182 2.050 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.183 -1.009 1.090 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.723 1.051 1.420 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.331 0.215 0.466 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.618 1.232 0.634 1.00 0.00 C ATOM 0 H TRP A 41 -2.928 -4.897 3.429 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.403 -4.469 0.950 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.754 -3.952 3.880 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.307 -3.576 2.537 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.183 -2.532 3.908 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.682 -0.103 3.173 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.920 -1.787 0.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.453 1.836 1.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.192 0.391 -0.161 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.474 2.178 0.133 1.00 0.00 H new ATOM 618 N TYR A 42 0.230 -6.341 1.134 1.00 0.00 N ATOM 619 CA TYR A 42 1.044 -7.550 1.137 1.00 0.00 C ATOM 620 C TYR A 42 2.466 -7.250 0.670 1.00 0.00 C ATOM 621 O TYR A 42 2.692 -6.338 -0.125 1.00 0.00 O ATOM 622 CB TYR A 42 0.415 -8.617 0.239 1.00 0.00 C ATOM 623 CG TYR A 42 -0.923 -9.115 0.737 1.00 0.00 C ATOM 624 CD1 TYR A 42 -1.001 -10.174 1.634 1.00 0.00 C ATOM 625 CD2 TYR A 42 -2.108 -8.529 0.311 1.00 0.00 C ATOM 626 CE1 TYR A 42 -2.221 -10.633 2.092 1.00 0.00 C ATOM 627 CE2 TYR A 42 -3.332 -8.981 0.764 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.383 -10.033 1.654 1.00 0.00 C ATOM 629 OH TYR A 42 -4.601 -10.487 2.107 1.00 0.00 O ATOM 0 H TYR A 42 0.361 -5.746 0.316 1.00 0.00 H new ATOM 0 HA TYR A 42 1.088 -7.925 2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.291 -8.209 -0.764 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.100 -9.461 0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.093 -10.646 1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.072 -7.705 -0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.264 -11.457 2.789 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.244 -8.513 0.423 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.499 -10.851 3.011 1.00 0.00 H new ATOM 639 N LYS A 43 3.421 -8.027 1.169 1.00 0.00 N ATOM 640 CA LYS A 43 4.822 -7.848 0.804 1.00 0.00 C ATOM 641 C LYS A 43 5.461 -9.182 0.432 1.00 0.00 C ATOM 642 O LYS A 43 5.748 -10.006 1.299 1.00 0.00 O ATOM 643 CB LYS A 43 5.593 -7.205 1.958 1.00 0.00 C ATOM 644 CG LYS A 43 7.074 -7.021 1.672 1.00 0.00 C ATOM 645 CD LYS A 43 7.861 -6.772 2.948 1.00 0.00 C ATOM 646 CE LYS A 43 9.324 -7.155 2.784 1.00 0.00 C ATOM 647 NZ LYS A 43 9.568 -8.579 3.143 1.00 0.00 N ATOM 0 H LYS A 43 3.251 -8.787 1.828 1.00 0.00 H new ATOM 0 HA LYS A 43 4.865 -7.190 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.151 -6.234 2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.477 -7.822 2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.462 -7.908 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.212 -6.183 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.788 -5.720 3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.423 -7.346 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.631 -6.983 1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.940 -6.511 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.576 -8.801 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.299 -8.738 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.999 -9.195 2.527 1.00 0.00 H new ATOM 661 N ASN A 44 5.683 -9.387 -0.863 1.00 0.00 N ATOM 662 CA ASN A 44 6.289 -10.620 -1.349 1.00 0.00 C ATOM 663 C ASN A 44 5.442 -11.830 -0.968 1.00 0.00 C ATOM 664 O ASN A 44 5.969 -12.893 -0.640 1.00 0.00 O ATOM 665 CB ASN A 44 7.703 -10.775 -0.783 1.00 0.00 C ATOM 666 CG ASN A 44 8.747 -10.089 -1.642 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.422 -9.260 -2.491 1.00 0.00 O ATOM 668 ND2 ASN A 44 10.011 -10.434 -1.424 1.00 0.00 N ATOM 0 H ASN A 44 5.452 -8.714 -1.594 1.00 0.00 H new ATOM 0 HA ASN A 44 6.343 -10.565 -2.436 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.736 -10.360 0.225 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.944 -11.835 -0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.758 -10.007 -1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.235 -11.126 -0.709 1.00 0.00 H new ATOM 675 N GLY A 45 4.124 -11.661 -1.014 1.00 0.00 N ATOM 676 CA GLY A 45 3.224 -12.747 -0.672 1.00 0.00 C ATOM 677 C GLY A 45 3.053 -12.909 0.825 1.00 0.00 C ATOM 678 O GLY A 45 2.821 -14.014 1.314 1.00 0.00 O ATOM 0 H GLY A 45 3.663 -10.791 -1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.251 -12.565 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.605 -13.677 -1.094 1.00 0.00 H new ATOM 682 N GLN A 46 3.170 -11.804 1.556 1.00 0.00 N ATOM 683 CA GLN A 46 3.029 -11.830 3.007 1.00 0.00 C ATOM 684 C GLN A 46 2.072 -10.742 3.480 1.00 0.00 C ATOM 685 O GLN A 46 2.205 -9.578 3.103 1.00 0.00 O ATOM 686 CB GLN A 46 4.393 -11.652 3.676 1.00 0.00 C ATOM 687 CG GLN A 46 4.311 -11.440 5.179 1.00 0.00 C ATOM 688 CD GLN A 46 4.373 -12.741 5.955 1.00 0.00 C ATOM 689 OE1 GLN A 46 5.319 -12.985 6.704 1.00 0.00 O ATOM 690 NE2 GLN A 46 3.362 -13.584 5.781 1.00 0.00 N ATOM 0 H GLN A 46 3.362 -10.881 1.167 1.00 0.00 H new ATOM 0 HA GLN A 46 2.617 -12.799 3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.005 -12.531 3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.901 -10.800 3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.129 -10.793 5.496 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.383 -10.922 5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.598 -13.341 5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.349 -14.475 6.278 1.00 0.00 H new ATOM 699 N GLU A 47 1.106 -11.129 4.308 1.00 0.00 N ATOM 700 CA GLU A 47 0.126 -10.185 4.831 1.00 0.00 C ATOM 701 C GLU A 47 0.794 -9.148 5.730 1.00 0.00 C ATOM 702 O GLU A 47 1.578 -9.491 6.615 1.00 0.00 O ATOM 703 CB GLU A 47 -0.962 -10.926 5.611 1.00 0.00 C ATOM 704 CG GLU A 47 -2.206 -10.090 5.863 1.00 0.00 C ATOM 705 CD GLU A 47 -3.298 -10.869 6.571 1.00 0.00 C ATOM 706 OE1 GLU A 47 -3.628 -11.982 6.110 1.00 0.00 O ATOM 707 OE2 GLU A 47 -3.823 -10.365 7.586 1.00 0.00 O ATOM 0 H GLU A 47 0.982 -12.089 4.630 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.329 -9.668 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.243 -11.824 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.554 -11.252 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.939 -9.219 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.588 -9.718 4.912 1.00 0.00 H new ATOM 714 N ILE A 48 0.479 -7.879 5.494 1.00 0.00 N ATOM 715 CA ILE A 48 1.048 -6.792 6.282 1.00 0.00 C ATOM 716 C ILE A 48 0.087 -6.347 7.379 1.00 0.00 C ATOM 717 O ILE A 48 -1.111 -6.190 7.143 1.00 0.00 O ATOM 718 CB ILE A 48 1.398 -5.580 5.398 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.329 -6.003 4.260 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.038 -4.482 6.234 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.476 -4.955 3.179 1.00 0.00 C ATOM 0 H ILE A 48 -0.167 -7.578 4.764 1.00 0.00 H new ATOM 0 HA ILE A 48 1.961 -7.176 6.737 1.00 0.00 H new ATOM 0 HB ILE A 48 0.479 -5.189 4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.313 -6.230 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.950 -6.923 3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.280 -3.632 5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.343 -4.165 7.012 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.950 -4.861 6.695 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.150 -5.323 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.500 -4.745 2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.884 -4.041 3.611 1.00 0.00 H new ATOM 733 N ARG A 49 0.621 -6.142 8.578 1.00 0.00 N ATOM 734 CA ARG A 49 -0.188 -5.714 9.712 1.00 0.00 C ATOM 735 C ARG A 49 0.265 -4.347 10.219 1.00 0.00 C ATOM 736 O ARG A 49 1.429 -3.968 10.096 1.00 0.00 O ATOM 737 CB ARG A 49 -0.105 -6.741 10.843 1.00 0.00 C ATOM 738 CG ARG A 49 -0.853 -8.032 10.549 1.00 0.00 C ATOM 739 CD ARG A 49 -0.371 -9.169 11.435 1.00 0.00 C ATOM 740 NE ARG A 49 -1.062 -9.191 12.722 1.00 0.00 N ATOM 741 CZ ARG A 49 -0.693 -8.459 13.767 1.00 0.00 C ATOM 742 NH1 ARG A 49 0.355 -7.652 13.678 1.00 0.00 N ATOM 743 NH2 ARG A 49 -1.372 -8.534 14.904 1.00 0.00 N ATOM 0 H ARG A 49 1.611 -6.266 8.789 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.222 -5.635 9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.942 -6.973 11.035 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.506 -6.298 11.755 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.921 -7.878 10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.717 -8.302 9.502 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.527 -10.119 10.923 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.702 -9.069 11.601 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.872 -9.802 12.824 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.880 -7.592 12.806 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.636 -7.091 14.482 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.178 -9.154 14.976 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.088 -7.971 15.706 1.00 0.00 H new ATOM 757 N PRO A 50 -0.677 -3.590 10.801 1.00 0.00 N ATOM 758 CA PRO A 50 -0.398 -2.254 11.337 1.00 0.00 C ATOM 759 C PRO A 50 0.475 -2.302 12.586 1.00 0.00 C ATOM 760 O PRO A 50 0.077 -2.852 13.613 1.00 0.00 O ATOM 761 CB PRO A 50 -1.789 -1.711 11.676 1.00 0.00 C ATOM 762 CG PRO A 50 -2.623 -2.924 11.908 1.00 0.00 C ATOM 763 CD PRO A 50 -2.086 -3.979 10.981 1.00 0.00 C ATOM 0 HA PRO A 50 0.154 -1.637 10.628 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.761 -1.075 12.561 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.187 -1.107 10.861 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.560 -3.248 12.947 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.674 -2.721 11.701 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.176 -4.976 11.412 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.624 -3.992 10.033 1.00 0.00 H new ATOM 771 N SER A 51 1.667 -1.720 12.492 1.00 0.00 N ATOM 772 CA SER A 51 2.598 -1.700 13.614 1.00 0.00 C ATOM 773 C SER A 51 3.550 -0.513 13.507 1.00 0.00 C ATOM 774 O SER A 51 3.613 0.159 12.477 1.00 0.00 O ATOM 775 CB SER A 51 3.394 -3.005 13.668 1.00 0.00 C ATOM 776 OG SER A 51 3.757 -3.327 14.999 1.00 0.00 O ATOM 0 H SER A 51 2.010 -1.256 11.651 1.00 0.00 H new ATOM 0 HA SER A 51 2.020 -1.599 14.533 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.800 -3.815 13.244 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.291 -2.913 13.055 1.00 0.00 H new ATOM 0 HG SER A 51 4.263 -4.166 15.006 1.00 0.00 H new ATOM 782 N THR A 52 4.293 -0.260 14.581 1.00 0.00 N ATOM 783 CA THR A 52 5.242 0.846 14.610 1.00 0.00 C ATOM 784 C THR A 52 5.896 1.046 13.248 1.00 0.00 C ATOM 785 O THR A 52 6.172 2.174 12.839 1.00 0.00 O ATOM 786 CB THR A 52 6.340 0.616 15.665 1.00 0.00 C ATOM 787 OG1 THR A 52 6.993 -0.636 15.427 1.00 0.00 O ATOM 788 CG2 THR A 52 5.754 0.629 17.069 1.00 0.00 C ATOM 0 H THR A 52 4.255 -0.806 15.442 1.00 0.00 H new ATOM 0 HA THR A 52 4.677 1.740 14.873 1.00 0.00 H new ATOM 0 HB THR A 52 7.066 1.425 15.584 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.691 -0.774 16.101 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.549 0.464 17.797 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.283 1.594 17.258 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.010 -0.162 17.160 1.00 0.00 H new ATOM 796 N LYS A 53 6.140 -0.056 12.547 1.00 0.00 N ATOM 797 CA LYS A 53 6.760 -0.003 11.228 1.00 0.00 C ATOM 798 C LYS A 53 5.744 0.400 10.165 1.00 0.00 C ATOM 799 O LYS A 53 6.026 1.239 9.309 1.00 0.00 O ATOM 800 CB LYS A 53 7.372 -1.361 10.875 1.00 0.00 C ATOM 801 CG LYS A 53 8.329 -1.308 9.696 1.00 0.00 C ATOM 802 CD LYS A 53 8.979 -2.658 9.445 1.00 0.00 C ATOM 803 CE LYS A 53 9.708 -2.687 8.110 1.00 0.00 C ATOM 804 NZ LYS A 53 8.766 -2.843 6.968 1.00 0.00 N ATOM 0 H LYS A 53 5.918 -0.997 12.870 1.00 0.00 H new ATOM 0 HA LYS A 53 7.549 0.749 11.255 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.902 -1.749 11.745 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.570 -2.064 10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.791 -0.991 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.100 -0.561 9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.681 -2.880 10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.218 -3.438 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.278 -1.766 7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.424 -3.509 8.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.189 -2.433 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.575 -3.853 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.875 -2.352 7.183 1.00 0.00 H new ATOM 818 N TYR A 54 4.561 -0.201 10.226 1.00 0.00 N ATOM 819 CA TYR A 54 3.503 0.096 9.268 1.00 0.00 C ATOM 820 C TYR A 54 2.455 1.019 9.881 1.00 0.00 C ATOM 821 O TYR A 54 1.827 0.683 10.886 1.00 0.00 O ATOM 822 CB TYR A 54 2.841 -1.198 8.790 1.00 0.00 C ATOM 823 CG TYR A 54 3.812 -2.188 8.186 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.383 -1.959 6.940 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.159 -3.351 8.862 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.270 -2.860 6.384 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.046 -4.258 8.314 1.00 0.00 C ATOM 828 CZ TYR A 54 5.599 -4.008 7.075 1.00 0.00 C ATOM 829 OH TYR A 54 6.482 -4.909 6.526 1.00 0.00 O ATOM 0 H TYR A 54 4.311 -0.897 10.929 1.00 0.00 H new ATOM 0 HA TYR A 54 3.953 0.604 8.415 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.332 -1.668 9.631 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.077 -0.954 8.051 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.129 -1.061 6.397 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.728 -3.550 9.832 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.704 -2.667 5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.305 -5.158 8.853 1.00 0.00 H new ATOM 0 HH TYR A 54 6.606 -5.662 7.141 1.00 0.00 H new ATOM 839 N ILE A 55 2.271 2.184 9.269 1.00 0.00 N ATOM 840 CA ILE A 55 1.299 3.156 9.753 1.00 0.00 C ATOM 841 C ILE A 55 0.088 3.230 8.828 1.00 0.00 C ATOM 842 O ILE A 55 0.189 3.695 7.693 1.00 0.00 O ATOM 843 CB ILE A 55 1.920 4.559 9.880 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.359 4.459 10.391 1.00 0.00 C ATOM 845 CG2 ILE A 55 1.082 5.428 10.806 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.455 4.190 11.877 1.00 0.00 C ATOM 0 H ILE A 55 2.783 2.478 8.437 1.00 0.00 H new ATOM 0 HA ILE A 55 0.980 2.819 10.739 1.00 0.00 H new ATOM 0 HB ILE A 55 1.936 5.024 8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.873 3.663 9.852 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.882 5.388 10.163 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.534 6.417 10.885 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.073 5.522 10.403 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.037 4.969 11.794 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.503 4.132 12.169 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.970 4.998 12.425 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.961 3.247 12.109 1.00 0.00 H new ATOM 858 N PHE A 56 -1.056 2.770 9.323 1.00 0.00 N ATOM 859 CA PHE A 56 -2.287 2.784 8.541 1.00 0.00 C ATOM 860 C PHE A 56 -3.109 4.034 8.845 1.00 0.00 C ATOM 861 O PHE A 56 -3.563 4.231 9.972 1.00 0.00 O ATOM 862 CB PHE A 56 -3.116 1.532 8.832 1.00 0.00 C ATOM 863 CG PHE A 56 -2.582 0.293 8.172 1.00 0.00 C ATOM 864 CD1 PHE A 56 -1.328 -0.197 8.499 1.00 0.00 C ATOM 865 CD2 PHE A 56 -3.334 -0.382 7.223 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.833 -1.337 7.893 1.00 0.00 C ATOM 867 CE2 PHE A 56 -2.844 -1.522 6.615 1.00 0.00 C ATOM 868 CZ PHE A 56 -1.592 -1.999 6.949 1.00 0.00 C ATOM 0 H PHE A 56 -1.157 2.383 10.261 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.017 2.795 7.485 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.153 1.373 9.910 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.140 1.699 8.499 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.730 0.318 9.236 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.313 -0.013 6.956 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.146 -1.709 8.158 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.440 -2.040 5.878 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.207 -2.889 6.472 1.00 0.00 H new ATOM 878 N GLU A 57 -3.296 4.873 7.831 1.00 0.00 N ATOM 879 CA GLU A 57 -4.062 6.104 7.991 1.00 0.00 C ATOM 880 C GLU A 57 -5.113 6.236 6.893 1.00 0.00 C ATOM 881 O GLU A 57 -4.783 6.397 5.717 1.00 0.00 O ATOM 882 CB GLU A 57 -3.130 7.317 7.968 1.00 0.00 C ATOM 883 CG GLU A 57 -2.164 7.365 9.140 1.00 0.00 C ATOM 884 CD GLU A 57 -1.435 8.691 9.242 1.00 0.00 C ATOM 885 OE1 GLU A 57 -1.099 9.265 8.185 1.00 0.00 O ATOM 886 OE2 GLU A 57 -1.200 9.154 10.377 1.00 0.00 O ATOM 0 H GLU A 57 -2.928 4.723 6.891 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.570 6.064 8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.560 7.309 7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.731 8.226 7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.712 7.184 10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.435 6.561 9.038 1.00 0.00 H new ATOM 893 N HIS A 58 -6.381 6.165 7.285 1.00 0.00 N ATOM 894 CA HIS A 58 -7.483 6.277 6.335 1.00 0.00 C ATOM 895 C HIS A 58 -8.119 7.662 6.401 1.00 0.00 C ATOM 896 O HIS A 58 -8.553 8.107 7.464 1.00 0.00 O ATOM 897 CB HIS A 58 -8.536 5.204 6.614 1.00 0.00 C ATOM 898 CG HIS A 58 -9.547 5.611 7.641 1.00 0.00 C ATOM 899 ND1 HIS A 58 -9.391 5.366 8.989 1.00 0.00 N ATOM 900 CD2 HIS A 58 -10.732 6.252 7.512 1.00 0.00 C ATOM 901 CE1 HIS A 58 -10.437 5.837 9.644 1.00 0.00 C ATOM 902 NE2 HIS A 58 -11.266 6.380 8.771 1.00 0.00 N ATOM 0 H HIS A 58 -6.671 6.030 8.254 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.082 6.129 5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -9.051 4.962 5.685 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.037 4.294 6.948 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.175 6.599 6.590 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.589 5.787 10.712 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -12.157 6.822 8.995 1.00 0.00 H new ATOM 911 N LYS A 59 -8.172 8.339 5.259 1.00 0.00 N ATOM 912 CA LYS A 59 -8.756 9.673 5.186 1.00 0.00 C ATOM 913 C LYS A 59 -9.683 9.796 3.981 1.00 0.00 C ATOM 914 O LYS A 59 -9.262 10.213 2.903 1.00 0.00 O ATOM 915 CB LYS A 59 -7.653 10.731 5.106 1.00 0.00 C ATOM 916 CG LYS A 59 -7.149 11.188 6.463 1.00 0.00 C ATOM 917 CD LYS A 59 -6.302 12.445 6.349 1.00 0.00 C ATOM 918 CE LYS A 59 -4.921 12.137 5.792 1.00 0.00 C ATOM 919 NZ LYS A 59 -4.045 11.489 6.807 1.00 0.00 N ATOM 0 H LYS A 59 -7.817 7.985 4.371 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.342 9.836 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.817 10.329 4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.029 11.595 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.996 11.378 7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.561 10.392 6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.804 13.166 5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.205 12.910 7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.017 11.484 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.455 13.060 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.073 11.434 6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.055 12.050 7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.395 10.530 7.006 1.00 0.00 H new ATOM 933 N GLY A 60 -10.947 9.432 4.172 1.00 0.00 N ATOM 934 CA GLY A 60 -11.913 9.511 3.092 1.00 0.00 C ATOM 935 C GLY A 60 -11.479 8.730 1.867 1.00 0.00 C ATOM 936 O GLY A 60 -10.623 9.183 1.106 1.00 0.00 O ATOM 0 H GLY A 60 -11.319 9.084 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.874 9.131 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.063 10.555 2.819 1.00 0.00 H new ATOM 940 N CYS A 61 -12.067 7.554 1.678 1.00 0.00 N ATOM 941 CA CYS A 61 -11.734 6.708 0.538 1.00 0.00 C ATOM 942 C CYS A 61 -10.257 6.836 0.178 1.00 0.00 C ATOM 943 O CYS A 61 -9.890 6.803 -0.996 1.00 0.00 O ATOM 944 CB CYS A 61 -12.599 7.076 -0.668 1.00 0.00 C ATOM 945 SG CYS A 61 -14.345 6.644 -0.484 1.00 0.00 S ATOM 0 H CYS A 61 -12.776 7.165 2.299 1.00 0.00 H new ATOM 0 HA CYS A 61 -11.933 5.673 0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.518 8.148 -0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.203 6.575 -1.552 1.00 0.00 H new ATOM 0 HG CYS A 61 -14.994 6.996 -1.554 1.00 0.00 H new ATOM 951 N GLN A 62 -9.416 6.985 1.196 1.00 0.00 N ATOM 952 CA GLN A 62 -7.980 7.122 0.987 1.00 0.00 C ATOM 953 C GLN A 62 -7.199 6.371 2.061 1.00 0.00 C ATOM 954 O GLN A 62 -7.131 6.807 3.211 1.00 0.00 O ATOM 955 CB GLN A 62 -7.581 8.598 0.987 1.00 0.00 C ATOM 956 CG GLN A 62 -6.255 8.871 0.295 1.00 0.00 C ATOM 957 CD GLN A 62 -5.696 10.241 0.624 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.416 11.041 -0.270 1.00 0.00 O ATOM 959 NE2 GLN A 62 -5.530 10.520 1.911 1.00 0.00 N ATOM 0 H GLN A 62 -9.705 7.014 2.174 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.737 6.688 0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.363 9.177 0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.523 8.950 2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.533 8.108 0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.388 8.787 -0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.775 9.828 2.619 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.157 11.427 2.192 1.00 0.00 H new ATOM 968 N ARG A 63 -6.612 5.242 1.678 1.00 0.00 N ATOM 969 CA ARG A 63 -5.837 4.431 2.610 1.00 0.00 C ATOM 970 C ARG A 63 -4.341 4.673 2.428 1.00 0.00 C ATOM 971 O ARG A 63 -3.766 4.320 1.398 1.00 0.00 O ATOM 972 CB ARG A 63 -6.152 2.947 2.410 1.00 0.00 C ATOM 973 CG ARG A 63 -7.601 2.589 2.695 1.00 0.00 C ATOM 974 CD ARG A 63 -7.894 2.597 4.188 1.00 0.00 C ATOM 975 NE ARG A 63 -9.318 2.434 4.467 1.00 0.00 N ATOM 976 CZ ARG A 63 -9.795 2.015 5.634 1.00 0.00 C ATOM 977 NH1 ARG A 63 -8.966 1.719 6.625 1.00 0.00 N ATOM 978 NH2 ARG A 63 -11.105 1.892 5.811 1.00 0.00 N ATOM 0 H ARG A 63 -6.658 4.868 0.730 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.114 4.722 3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.913 2.668 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.506 2.356 3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.258 3.297 2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.821 1.603 2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.336 1.795 4.671 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.545 3.534 4.621 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.983 2.654 3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.959 1.813 6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.335 1.398 7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.746 2.119 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.471 1.570 6.707 1.00 0.00 H new ATOM 992 N ILE A 64 -3.719 5.277 3.434 1.00 0.00 N ATOM 993 CA ILE A 64 -2.291 5.565 3.385 1.00 0.00 C ATOM 994 C ILE A 64 -1.492 4.524 4.161 1.00 0.00 C ATOM 995 O ILE A 64 -2.007 3.894 5.086 1.00 0.00 O ATOM 996 CB ILE A 64 -1.979 6.963 3.953 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.695 8.040 3.137 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.477 7.208 3.961 1.00 0.00 C ATOM 999 CD1 ILE A 64 -3.056 9.269 3.943 1.00 0.00 C ATOM 0 H ILE A 64 -4.181 5.576 4.293 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.999 5.534 2.335 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.341 7.011 4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.058 8.336 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.604 7.616 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.272 8.199 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.011 6.456 4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.093 7.144 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.561 9.990 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.718 8.986 4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.149 9.717 4.349 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.232 4.348 3.780 1.00 0.00 N ATOM 1012 CA LEU A 65 0.640 3.383 4.442 1.00 0.00 C ATOM 1013 C LEU A 65 2.079 3.887 4.481 1.00 0.00 C ATOM 1014 O LEU A 65 2.637 4.285 3.458 1.00 0.00 O ATOM 1015 CB LEU A 65 0.580 2.035 3.722 1.00 0.00 C ATOM 1016 CG LEU A 65 1.338 0.885 4.387 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.834 1.158 4.381 1.00 0.00 C ATOM 1018 CD2 LEU A 65 0.839 0.668 5.808 1.00 0.00 C ATOM 0 H LEU A 65 0.209 4.860 3.016 1.00 0.00 H new ATOM 0 HA LEU A 65 0.290 3.257 5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.466 1.745 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.972 2.167 2.713 1.00 0.00 H new ATOM 0 HG LEU A 65 1.153 -0.025 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.357 0.329 4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.181 1.262 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.038 2.079 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.390 -0.154 6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.993 1.576 6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.224 0.426 5.788 1.00 0.00 H new ATOM 1030 N PHE A 66 2.675 3.867 5.669 1.00 0.00 N ATOM 1031 CA PHE A 66 4.050 4.321 5.842 1.00 0.00 C ATOM 1032 C PHE A 66 4.917 3.215 6.438 1.00 0.00 C ATOM 1033 O PHE A 66 4.517 2.544 7.390 1.00 0.00 O ATOM 1034 CB PHE A 66 4.092 5.558 6.742 1.00 0.00 C ATOM 1035 CG PHE A 66 3.398 6.752 6.151 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.043 7.555 5.224 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.102 7.071 6.523 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.407 8.655 4.680 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.462 8.170 5.982 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.115 8.962 5.058 1.00 0.00 C ATOM 0 H PHE A 66 2.227 3.541 6.526 1.00 0.00 H new ATOM 0 HA PHE A 66 4.447 4.581 4.860 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.631 5.317 7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.132 5.815 6.945 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.053 7.319 4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.586 6.454 7.244 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.921 9.274 3.959 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.452 8.409 6.281 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.616 9.820 4.632 1.00 0.00 H new ATOM 1050 N ILE A 67 6.104 3.032 5.870 1.00 0.00 N ATOM 1051 CA ILE A 67 7.028 2.009 6.345 1.00 0.00 C ATOM 1052 C ILE A 67 8.318 2.633 6.867 1.00 0.00 C ATOM 1053 O ILE A 67 9.039 3.301 6.128 1.00 0.00 O ATOM 1054 CB ILE A 67 7.371 1.001 5.232 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.092 0.465 4.586 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.207 -0.141 5.792 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.328 -0.230 3.264 1.00 0.00 C ATOM 0 H ILE A 67 6.449 3.578 5.081 1.00 0.00 H new ATOM 0 HA ILE A 67 6.527 1.483 7.158 1.00 0.00 H new ATOM 0 HB ILE A 67 7.955 1.512 4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.612 -0.232 5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.398 1.291 4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.442 -0.845 4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.132 0.256 6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.646 -0.653 6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.378 -0.584 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.779 0.470 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.997 -1.077 3.413 1.00 0.00 H new ATOM 1069 N ASN A 68 8.603 2.407 8.145 1.00 0.00 N ATOM 1070 CA ASN A 68 9.807 2.945 8.766 1.00 0.00 C ATOM 1071 C ASN A 68 10.963 1.954 8.662 1.00 0.00 C ATOM 1072 O ASN A 68 10.753 0.761 8.448 1.00 0.00 O ATOM 1073 CB ASN A 68 9.542 3.283 10.235 1.00 0.00 C ATOM 1074 CG ASN A 68 8.669 4.512 10.396 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.114 5.638 10.170 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.418 4.302 10.790 1.00 0.00 N ATOM 0 H ASN A 68 8.016 1.855 8.771 1.00 0.00 H new ATOM 0 HA ASN A 68 10.083 3.856 8.234 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.061 2.433 10.720 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.492 3.446 10.745 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.784 5.091 10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.091 3.352 10.966 1.00 0.00 H new ATOM 1083 N ASN A 69 12.183 2.459 8.815 1.00 0.00 N ATOM 1084 CA ASN A 69 13.372 1.618 8.738 1.00 0.00 C ATOM 1085 C ASN A 69 13.545 1.046 7.334 1.00 0.00 C ATOM 1086 O ASN A 69 13.751 -0.156 7.163 1.00 0.00 O ATOM 1087 CB ASN A 69 13.285 0.480 9.757 1.00 0.00 C ATOM 1088 CG ASN A 69 12.983 0.979 11.156 1.00 0.00 C ATOM 1089 OD1 ASN A 69 12.469 2.083 11.336 1.00 0.00 O ATOM 1090 ND2 ASN A 69 13.303 0.166 12.156 1.00 0.00 N ATOM 0 H ASN A 69 12.374 3.445 8.993 1.00 0.00 H new ATOM 0 HA ASN A 69 14.239 2.237 8.968 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.509 -0.221 9.449 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.226 -0.069 9.765 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.124 0.448 13.120 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.728 -0.741 11.960 1.00 0.00 H new ATOM 1097 N CYS A 70 13.459 1.915 6.333 1.00 0.00 N ATOM 1098 CA CYS A 70 13.605 1.497 4.943 1.00 0.00 C ATOM 1099 C CYS A 70 15.018 0.989 4.674 1.00 0.00 C ATOM 1100 O CYS A 70 15.942 1.776 4.471 1.00 0.00 O ATOM 1101 CB CYS A 70 13.281 2.659 4.002 1.00 0.00 C ATOM 1102 SG CYS A 70 11.720 3.494 4.373 1.00 0.00 S ATOM 0 H CYS A 70 13.289 2.913 6.458 1.00 0.00 H new ATOM 0 HA CYS A 70 12.904 0.683 4.759 1.00 0.00 H new ATOM 0 HB2 CYS A 70 14.091 3.387 4.049 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.247 2.285 2.979 1.00 0.00 H new ATOM 0 HG CYS A 70 11.643 3.723 5.650 1.00 0.00 H new ATOM 1108 N GLN A 71 15.176 -0.331 4.675 1.00 0.00 N ATOM 1109 CA GLN A 71 16.477 -0.944 4.433 1.00 0.00 C ATOM 1110 C GLN A 71 16.476 -1.723 3.122 1.00 0.00 C ATOM 1111 O GLN A 71 15.421 -2.094 2.610 1.00 0.00 O ATOM 1112 CB GLN A 71 16.851 -1.871 5.591 1.00 0.00 C ATOM 1113 CG GLN A 71 18.349 -1.973 5.829 1.00 0.00 C ATOM 1114 CD GLN A 71 18.854 -0.942 6.818 1.00 0.00 C ATOM 1115 OE1 GLN A 71 19.205 -1.271 7.952 1.00 0.00 O ATOM 1116 NE2 GLN A 71 18.895 0.316 6.393 1.00 0.00 N ATOM 0 H GLN A 71 14.420 -0.996 4.840 1.00 0.00 H new ATOM 0 HA GLN A 71 17.218 -0.148 4.361 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.370 -1.513 6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.455 -2.867 5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.587 -2.971 6.197 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.873 -1.849 4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.595 0.544 5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.227 1.054 7.014 1.00 0.00 H new ATOM 1125 N MET A 72 17.667 -1.967 2.584 1.00 0.00 N ATOM 1126 CA MET A 72 17.803 -2.703 1.332 1.00 0.00 C ATOM 1127 C MET A 72 16.859 -3.901 1.301 1.00 0.00 C ATOM 1128 O MET A 72 16.198 -4.158 0.294 1.00 0.00 O ATOM 1129 CB MET A 72 19.247 -3.172 1.146 1.00 0.00 C ATOM 1130 CG MET A 72 20.159 -2.111 0.551 1.00 0.00 C ATOM 1131 SD MET A 72 19.902 -1.889 -1.220 1.00 0.00 S ATOM 1132 CE MET A 72 20.644 -0.278 -1.470 1.00 0.00 C ATOM 0 H MET A 72 18.551 -1.666 2.995 1.00 0.00 H new ATOM 0 HA MET A 72 17.538 -2.033 0.514 1.00 0.00 H new ATOM 0 HB2 MET A 72 19.647 -3.483 2.111 1.00 0.00 H new ATOM 0 HB3 MET A 72 19.255 -4.050 0.500 1.00 0.00 H new ATOM 0 HG2 MET A 72 19.988 -1.163 1.061 1.00 0.00 H new ATOM 0 HG3 MET A 72 21.198 -2.387 0.732 1.00 0.00 H new ATOM 0 HE1 MET A 72 20.337 0.118 -2.438 1.00 0.00 H new ATOM 0 HE2 MET A 72 20.317 0.399 -0.681 1.00 0.00 H new ATOM 0 HE3 MET A 72 21.730 -0.369 -1.443 1.00 0.00 H new ATOM 1142 N THR A 73 16.800 -4.632 2.410 1.00 0.00 N ATOM 1143 CA THR A 73 15.938 -5.803 2.508 1.00 0.00 C ATOM 1144 C THR A 73 14.474 -5.427 2.315 1.00 0.00 C ATOM 1145 O THR A 73 13.711 -6.164 1.691 1.00 0.00 O ATOM 1146 CB THR A 73 16.100 -6.507 3.869 1.00 0.00 C ATOM 1147 OG1 THR A 73 15.478 -7.796 3.831 1.00 0.00 O ATOM 1148 CG2 THR A 73 15.486 -5.674 4.985 1.00 0.00 C ATOM 0 H THR A 73 17.339 -4.433 3.253 1.00 0.00 H new ATOM 0 HA THR A 73 16.242 -6.486 1.715 1.00 0.00 H new ATOM 0 HB THR A 73 17.165 -6.624 4.068 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.587 -8.237 4.699 1.00 0.00 H new ATOM 0 HG21 THR A 73 15.612 -6.191 5.936 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.982 -4.704 5.030 1.00 0.00 H new ATOM 0 HG23 THR A 73 14.424 -5.530 4.789 1.00 0.00 H new ATOM 1156 N ASP A 74 14.089 -4.274 2.851 1.00 0.00 N ATOM 1157 CA ASP A 74 12.715 -3.798 2.736 1.00 0.00 C ATOM 1158 C ASP A 74 12.271 -3.769 1.276 1.00 0.00 C ATOM 1159 O ASP A 74 11.173 -4.214 0.942 1.00 0.00 O ATOM 1160 CB ASP A 74 12.582 -2.404 3.351 1.00 0.00 C ATOM 1161 CG ASP A 74 11.185 -2.133 3.874 1.00 0.00 C ATOM 1162 OD1 ASP A 74 10.453 -3.108 4.146 1.00 0.00 O ATOM 1163 OD2 ASP A 74 10.824 -0.946 4.013 1.00 0.00 O ATOM 0 H ASP A 74 14.709 -3.652 3.369 1.00 0.00 H new ATOM 0 HA ASP A 74 12.070 -4.489 3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.298 -2.300 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.839 -1.654 2.603 1.00 0.00 H new ATOM 1168 N ASP A 75 13.131 -3.241 0.413 1.00 0.00 N ATOM 1169 CA ASP A 75 12.828 -3.153 -1.011 1.00 0.00 C ATOM 1170 C ASP A 75 12.185 -4.443 -1.510 1.00 0.00 C ATOM 1171 O ASP A 75 12.877 -5.376 -1.916 1.00 0.00 O ATOM 1172 CB ASP A 75 14.101 -2.861 -1.808 1.00 0.00 C ATOM 1173 CG ASP A 75 14.046 -3.426 -3.214 1.00 0.00 C ATOM 1174 OD1 ASP A 75 12.935 -3.503 -3.779 1.00 0.00 O ATOM 1175 OD2 ASP A 75 15.114 -3.792 -3.748 1.00 0.00 O ATOM 0 H ASP A 75 14.044 -2.867 0.674 1.00 0.00 H new ATOM 0 HA ASP A 75 12.122 -2.336 -1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.255 -1.783 -1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.959 -3.282 -1.284 1.00 0.00 H new ATOM 1180 N SER A 76 10.857 -4.487 -1.477 1.00 0.00 N ATOM 1181 CA SER A 76 10.120 -5.664 -1.922 1.00 0.00 C ATOM 1182 C SER A 76 8.933 -5.265 -2.794 1.00 0.00 C ATOM 1183 O SER A 76 8.576 -4.090 -2.873 1.00 0.00 O ATOM 1184 CB SER A 76 9.634 -6.473 -0.718 1.00 0.00 C ATOM 1185 OG SER A 76 10.661 -7.313 -0.220 1.00 0.00 O ATOM 0 H SER A 76 10.269 -3.721 -1.147 1.00 0.00 H new ATOM 0 HA SER A 76 10.794 -6.280 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.300 -5.796 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.773 -7.077 -1.005 1.00 0.00 H new ATOM 0 HG SER A 76 11.271 -6.788 0.339 1.00 0.00 H new ATOM 1191 N GLU A 77 8.327 -6.253 -3.445 1.00 0.00 N ATOM 1192 CA GLU A 77 7.181 -6.005 -4.312 1.00 0.00 C ATOM 1193 C GLU A 77 5.890 -5.937 -3.501 1.00 0.00 C ATOM 1194 O GLU A 77 5.402 -6.952 -3.005 1.00 0.00 O ATOM 1195 CB GLU A 77 7.071 -7.100 -5.375 1.00 0.00 C ATOM 1196 CG GLU A 77 5.811 -7.004 -6.219 1.00 0.00 C ATOM 1197 CD GLU A 77 5.867 -7.884 -7.453 1.00 0.00 C ATOM 1198 OE1 GLU A 77 6.563 -7.506 -8.419 1.00 0.00 O ATOM 1199 OE2 GLU A 77 5.216 -8.949 -7.453 1.00 0.00 O ATOM 0 H GLU A 77 8.610 -7.231 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 77 7.332 -5.044 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.941 -7.048 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.097 -8.074 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.950 -7.288 -5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.660 -5.968 -6.523 1.00 0.00 H new ATOM 1206 N TYR A 78 5.344 -4.733 -3.370 1.00 0.00 N ATOM 1207 CA TYR A 78 4.112 -4.531 -2.616 1.00 0.00 C ATOM 1208 C TYR A 78 2.903 -4.504 -3.547 1.00 0.00 C ATOM 1209 O TYR A 78 2.966 -3.960 -4.650 1.00 0.00 O ATOM 1210 CB TYR A 78 4.185 -3.228 -1.819 1.00 0.00 C ATOM 1211 CG TYR A 78 5.380 -3.149 -0.896 1.00 0.00 C ATOM 1212 CD1 TYR A 78 5.346 -3.725 0.368 1.00 0.00 C ATOM 1213 CD2 TYR A 78 6.544 -2.500 -1.289 1.00 0.00 C ATOM 1214 CE1 TYR A 78 6.435 -3.655 1.215 1.00 0.00 C ATOM 1215 CE2 TYR A 78 7.639 -2.426 -0.449 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.579 -3.004 0.802 1.00 0.00 C ATOM 1217 OH TYR A 78 8.667 -2.934 1.642 1.00 0.00 O ATOM 0 H TYR A 78 5.735 -3.883 -3.776 1.00 0.00 H new ATOM 0 HA TYR A 78 3.998 -5.366 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.217 -2.388 -2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.274 -3.120 -1.230 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.452 -4.236 0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.594 -2.046 -2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.391 -4.107 2.195 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.537 -1.918 -0.770 1.00 0.00 H new ATOM 0 HH TYR A 78 9.419 -3.422 1.245 1.00 0.00 H new ATOM 1227 N TYR A 79 1.802 -5.093 -3.093 1.00 0.00 N ATOM 1228 CA TYR A 79 0.578 -5.139 -3.884 1.00 0.00 C ATOM 1229 C TYR A 79 -0.653 -5.108 -2.984 1.00 0.00 C ATOM 1230 O TYR A 79 -0.770 -5.894 -2.044 1.00 0.00 O ATOM 1231 CB TYR A 79 0.556 -6.396 -4.755 1.00 0.00 C ATOM 1232 CG TYR A 79 0.336 -7.671 -3.972 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.400 -8.338 -3.379 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -0.938 -8.208 -3.826 1.00 0.00 C ATOM 1235 CE1 TYR A 79 1.203 -9.504 -2.664 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -1.144 -9.372 -3.111 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.071 -10.017 -2.532 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.271 -11.177 -1.820 1.00 0.00 O ATOM 0 H TYR A 79 1.732 -5.545 -2.181 1.00 0.00 H new ATOM 0 HA TYR A 79 0.557 -4.259 -4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.232 -6.297 -5.501 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.499 -6.470 -5.296 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.399 -7.939 -3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.781 -7.707 -4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.042 -10.011 -2.211 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.140 -9.775 -3.006 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.527 -10.956 -0.900 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.571 -4.194 -3.280 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.796 -4.060 -2.500 1.00 0.00 C ATOM 1250 C VAL A 80 -3.999 -4.591 -3.271 1.00 0.00 C ATOM 1251 O VAL A 80 -4.078 -4.455 -4.492 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.056 -2.592 -2.112 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.298 -1.746 -3.353 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.233 -2.496 -1.153 1.00 0.00 C ATOM 0 H VAL A 80 -1.490 -3.535 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.660 -4.649 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.171 -2.206 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.480 -0.712 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.422 -1.790 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.166 -2.128 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.403 -1.452 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.126 -2.899 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.015 -3.067 -0.251 1.00 0.00 H new ATOM 1264 N THR A 81 -4.937 -5.197 -2.549 1.00 0.00 N ATOM 1265 CA THR A 81 -6.137 -5.750 -3.164 1.00 0.00 C ATOM 1266 C THR A 81 -7.390 -5.052 -2.649 1.00 0.00 C ATOM 1267 O THR A 81 -7.495 -4.738 -1.464 1.00 0.00 O ATOM 1268 CB THR A 81 -6.259 -7.262 -2.897 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.434 -7.500 -1.496 1.00 0.00 O ATOM 1270 CG2 THR A 81 -5.024 -8.001 -3.392 1.00 0.00 C ATOM 0 H THR A 81 -4.888 -5.317 -1.537 1.00 0.00 H new ATOM 0 HA THR A 81 -6.047 -5.584 -4.238 1.00 0.00 H new ATOM 0 HB THR A 81 -7.128 -7.635 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.512 -8.464 -1.335 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.133 -9.067 -3.192 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.911 -7.842 -4.464 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.142 -7.624 -2.874 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.340 -4.812 -3.548 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.588 -4.154 -3.183 1.00 0.00 C ATOM 1280 C ALA A 82 -10.726 -4.589 -4.099 1.00 0.00 C ATOM 1281 O ALA A 82 -10.751 -4.247 -5.281 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.420 -2.642 -3.228 1.00 0.00 C ATOM 0 H ALA A 82 -8.268 -5.064 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.842 -4.450 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.360 -2.163 -2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.641 -2.341 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.139 -2.337 -4.236 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.669 -5.346 -3.546 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.797 -5.816 -4.329 1.00 0.00 C ATOM 1290 C GLY A 83 -12.411 -6.911 -5.303 1.00 0.00 C ATOM 1291 O GLY A 83 -12.140 -8.043 -4.900 1.00 0.00 O ATOM 0 H GLY A 83 -11.672 -5.642 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.571 -6.187 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.227 -4.979 -4.880 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.386 -6.575 -6.588 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.030 -7.539 -7.623 1.00 0.00 C ATOM 1297 C ASP A 84 -10.816 -7.063 -8.415 1.00 0.00 C ATOM 1298 O ASP A 84 -10.476 -7.635 -9.450 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.213 -7.765 -8.567 1.00 0.00 C ATOM 1300 CG ASP A 84 -14.515 -7.981 -7.821 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -15.070 -6.992 -7.297 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -14.981 -9.138 -7.763 1.00 0.00 O ATOM 0 H ASP A 84 -12.608 -5.643 -6.938 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.777 -8.481 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.315 -6.905 -9.229 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.011 -8.631 -9.198 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.168 -6.013 -7.920 1.00 0.00 N ATOM 1308 CA GLU A 85 -8.993 -5.459 -8.583 1.00 0.00 C ATOM 1309 C GLU A 85 -7.813 -5.379 -7.620 1.00 0.00 C ATOM 1310 O GLU A 85 -7.990 -5.371 -6.401 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.304 -4.070 -9.144 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.199 -4.095 -10.372 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.499 -4.660 -11.593 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -8.388 -5.209 -11.440 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.063 -4.553 -12.702 1.00 0.00 O ATOM 0 H GLU A 85 -10.436 -5.529 -7.063 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.724 -6.122 -9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.783 -3.473 -8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.368 -3.572 -9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.086 -4.691 -10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.540 -3.083 -10.589 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.607 -5.319 -8.175 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.396 -5.238 -7.367 1.00 0.00 C ATOM 1324 C LYS A 86 -4.230 -4.695 -8.188 1.00 0.00 C ATOM 1325 O LYS A 86 -4.181 -4.872 -9.406 1.00 0.00 O ATOM 1326 CB LYS A 86 -5.040 -6.616 -6.805 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.379 -7.534 -7.819 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.005 -8.870 -7.200 1.00 0.00 C ATOM 1329 CE LYS A 86 -3.161 -9.707 -8.148 1.00 0.00 C ATOM 1330 NZ LYS A 86 -3.993 -10.388 -9.178 1.00 0.00 N ATOM 0 H LYS A 86 -6.442 -5.325 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.586 -4.553 -6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.373 -6.490 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.947 -7.093 -6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.055 -7.697 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.485 -7.054 -8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.455 -8.702 -6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.911 -9.417 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.426 -9.069 -8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.606 -10.453 -7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.380 -10.948 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.678 -11.016 -8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.503 -9.676 -9.739 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.294 -4.037 -7.514 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.127 -3.469 -8.181 1.00 0.00 C ATOM 1346 C CYS A 87 -0.851 -3.786 -7.408 1.00 0.00 C ATOM 1347 O CYS A 87 -0.900 -4.331 -6.306 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.286 -1.956 -8.331 1.00 0.00 C ATOM 1349 SG CYS A 87 -1.453 -1.266 -9.780 1.00 0.00 S ATOM 0 H CYS A 87 -3.320 -3.883 -6.506 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.050 -3.918 -9.171 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.348 -1.717 -8.388 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.897 -1.470 -7.436 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.649 -0.315 -9.406 1.00 0.00 H new ATOM 1355 N SER A 88 0.291 -3.441 -7.995 1.00 0.00 N ATOM 1356 CA SER A 88 1.581 -3.693 -7.364 1.00 0.00 C ATOM 1357 C SER A 88 2.549 -2.544 -7.628 1.00 0.00 C ATOM 1358 O SER A 88 2.349 -1.746 -8.544 1.00 0.00 O ATOM 1359 CB SER A 88 2.177 -5.005 -7.879 1.00 0.00 C ATOM 1360 OG SER A 88 2.282 -4.997 -9.292 1.00 0.00 O ATOM 0 H SER A 88 0.349 -2.986 -8.906 1.00 0.00 H new ATOM 0 HA SER A 88 1.422 -3.771 -6.289 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.162 -5.158 -7.439 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.553 -5.841 -7.562 1.00 0.00 H new ATOM 0 HG SER A 88 2.667 -5.845 -9.596 1.00 0.00 H new ATOM 1366 N THR A 89 3.599 -2.465 -6.817 1.00 0.00 N ATOM 1367 CA THR A 89 4.598 -1.414 -6.960 1.00 0.00 C ATOM 1368 C THR A 89 5.993 -1.930 -6.624 1.00 0.00 C ATOM 1369 O THR A 89 6.148 -3.046 -6.129 1.00 0.00 O ATOM 1370 CB THR A 89 4.278 -0.208 -6.057 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.255 0.821 -6.249 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.251 -0.621 -4.593 1.00 0.00 C ATOM 0 H THR A 89 3.779 -3.117 -6.054 1.00 0.00 H new ATOM 0 HA THR A 89 4.573 -1.095 -8.002 1.00 0.00 H new ATOM 0 HB THR A 89 3.293 0.171 -6.330 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.940 1.447 -6.934 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.023 0.247 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.487 -1.384 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.224 -1.023 -4.310 1.00 0.00 H new ATOM 1380 N GLU A 90 7.004 -1.111 -6.895 1.00 0.00 N ATOM 1381 CA GLU A 90 8.385 -1.487 -6.621 1.00 0.00 C ATOM 1382 C GLU A 90 9.074 -0.437 -5.754 1.00 0.00 C ATOM 1383 O GLU A 90 9.080 0.750 -6.085 1.00 0.00 O ATOM 1384 CB GLU A 90 9.157 -1.670 -7.929 1.00 0.00 C ATOM 1385 CG GLU A 90 8.679 -2.850 -8.759 1.00 0.00 C ATOM 1386 CD GLU A 90 9.467 -3.018 -10.043 1.00 0.00 C ATOM 1387 OE1 GLU A 90 9.597 -2.027 -10.792 1.00 0.00 O ATOM 1388 OE2 GLU A 90 9.953 -4.139 -10.300 1.00 0.00 O ATOM 0 H GLU A 90 6.892 -0.183 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 90 8.375 -2.432 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.070 -0.760 -8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.215 -1.802 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.758 -3.762 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.624 -2.717 -8.999 1.00 0.00 H new ATOM 1395 N LEU A 91 9.651 -0.881 -4.643 1.00 0.00 N ATOM 1396 CA LEU A 91 10.342 0.020 -3.727 1.00 0.00 C ATOM 1397 C LEU A 91 11.847 -0.004 -3.971 1.00 0.00 C ATOM 1398 O LEU A 91 12.451 -1.071 -4.084 1.00 0.00 O ATOM 1399 CB LEU A 91 10.042 -0.366 -2.278 1.00 0.00 C ATOM 1400 CG LEU A 91 10.513 0.621 -1.209 1.00 0.00 C ATOM 1401 CD1 LEU A 91 12.027 0.578 -1.072 1.00 0.00 C ATOM 1402 CD2 LEU A 91 10.046 2.031 -1.543 1.00 0.00 C ATOM 0 H LEU A 91 9.654 -1.859 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 91 9.980 1.032 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.965 -0.497 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.502 -1.334 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 91 10.074 0.330 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.343 1.287 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.338 -0.427 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.486 0.843 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.390 2.720 -0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.456 2.331 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.957 2.052 -1.589 1.00 0.00 H new ATOM 1414 N PHE A 92 12.448 1.179 -4.050 1.00 0.00 N ATOM 1415 CA PHE A 92 13.884 1.293 -4.280 1.00 0.00 C ATOM 1416 C PHE A 92 14.548 2.108 -3.174 1.00 0.00 C ATOM 1417 O PHE A 92 14.593 3.337 -3.234 1.00 0.00 O ATOM 1418 CB PHE A 92 14.154 1.941 -5.639 1.00 0.00 C ATOM 1419 CG PHE A 92 13.959 1.007 -6.799 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.782 -0.095 -6.963 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.952 1.230 -7.723 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.605 -0.956 -8.030 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.769 0.373 -8.792 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.596 -0.723 -8.945 1.00 0.00 C ATOM 0 H PHE A 92 11.963 2.072 -3.958 1.00 0.00 H new ATOM 0 HA PHE A 92 14.309 0.289 -4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.494 2.800 -5.760 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.176 2.319 -5.655 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.571 -0.284 -6.250 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.301 2.084 -7.607 1.00 0.00 H new ATOM 0 HE1 PHE A 92 15.255 -1.810 -8.148 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.981 0.560 -9.506 1.00 0.00 H new ATOM 0 HZ PHE A 92 13.454 -1.396 -9.778 1.00 0.00 H new ATOM 1434 N VAL A 93 15.061 1.414 -2.163 1.00 0.00 N ATOM 1435 CA VAL A 93 15.724 2.072 -1.043 1.00 0.00 C ATOM 1436 C VAL A 93 17.228 2.168 -1.273 1.00 0.00 C ATOM 1437 O VAL A 93 17.936 1.161 -1.245 1.00 0.00 O ATOM 1438 CB VAL A 93 15.465 1.325 0.279 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.600 -0.177 0.080 1.00 0.00 C ATOM 1440 CG2 VAL A 93 16.414 1.815 1.362 1.00 0.00 C ATOM 0 H VAL A 93 15.030 0.397 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 93 15.306 3.076 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 93 14.445 1.534 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.414 -0.687 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.876 -0.512 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.608 -0.409 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 93 16.217 1.277 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.444 1.638 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.262 2.882 1.523 1.00 0.00 H new ATOM 1450 N ARG A 94 17.709 3.385 -1.501 1.00 0.00 N ATOM 1451 CA ARG A 94 19.130 3.613 -1.737 1.00 0.00 C ATOM 1452 C ARG A 94 19.909 3.594 -0.425 1.00 0.00 C ATOM 1453 O ARG A 94 19.328 3.457 0.651 1.00 0.00 O ATOM 1454 CB ARG A 94 19.342 4.951 -2.449 1.00 0.00 C ATOM 1455 CG ARG A 94 18.360 5.201 -3.581 1.00 0.00 C ATOM 1456 CD ARG A 94 18.887 4.666 -4.904 1.00 0.00 C ATOM 1457 NE ARG A 94 18.696 3.223 -5.026 1.00 0.00 N ATOM 1458 CZ ARG A 94 19.435 2.448 -5.812 1.00 0.00 C ATOM 1459 NH1 ARG A 94 20.409 2.974 -6.541 1.00 0.00 N ATOM 1460 NH2 ARG A 94 19.200 1.143 -5.869 1.00 0.00 N ATOM 0 H ARG A 94 17.136 4.229 -1.527 1.00 0.00 H new ATOM 0 HA ARG A 94 19.501 2.808 -2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 94 19.257 5.758 -1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.357 4.985 -2.846 1.00 0.00 H new ATOM 0 HG2 ARG A 94 17.407 4.726 -3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 94 18.170 6.271 -3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 94 18.379 5.170 -5.727 1.00 0.00 H new ATOM 0 HD3 ARG A 94 19.948 4.900 -4.993 1.00 0.00 H new ATOM 0 HE ARG A 94 17.955 2.787 -4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 94 20.593 3.976 -6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 94 20.975 2.376 -7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 94 18.452 0.735 -5.309 1.00 0.00 H new ATOM 0 HH22 ARG A 94 19.768 0.548 -6.473 1.00 0.00 H new ATOM 1474 N SER A 95 21.227 3.730 -0.524 1.00 0.00 N ATOM 1475 CA SER A 95 22.087 3.724 0.654 1.00 0.00 C ATOM 1476 C SER A 95 23.189 4.771 0.528 1.00 0.00 C ATOM 1477 O SER A 95 24.038 4.692 -0.359 1.00 0.00 O ATOM 1478 CB SER A 95 22.705 2.338 0.853 1.00 0.00 C ATOM 1479 OG SER A 95 21.765 1.436 1.410 1.00 0.00 O ATOM 0 H SER A 95 21.723 3.846 -1.408 1.00 0.00 H new ATOM 0 HA SER A 95 21.475 3.969 1.522 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.060 1.954 -0.103 1.00 0.00 H new ATOM 0 HB3 SER A 95 23.573 2.414 1.508 1.00 0.00 H new ATOM 0 HG SER A 95 20.871 1.835 1.379 1.00 0.00 H new ATOM 1485 N GLY A 96 23.168 5.754 1.424 1.00 0.00 N ATOM 1486 CA GLY A 96 24.170 6.804 1.397 1.00 0.00 C ATOM 1487 C GLY A 96 23.966 7.827 2.496 1.00 0.00 C ATOM 1488 O GLY A 96 23.295 7.571 3.496 1.00 0.00 O ATOM 0 H GLY A 96 22.475 5.842 2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 96 25.160 6.360 1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 96 24.142 7.304 0.429 1.00 0.00 H new ATOM 1492 N PRO A 97 24.557 9.018 2.318 1.00 0.00 N ATOM 1493 CA PRO A 97 24.453 10.108 3.293 1.00 0.00 C ATOM 1494 C PRO A 97 23.049 10.702 3.349 1.00 0.00 C ATOM 1495 O PRO A 97 22.714 11.437 4.278 1.00 0.00 O ATOM 1496 CB PRO A 97 25.452 11.145 2.774 1.00 0.00 C ATOM 1497 CG PRO A 97 25.552 10.877 1.312 1.00 0.00 C ATOM 1498 CD PRO A 97 25.372 9.393 1.150 1.00 0.00 C ATOM 0 HA PRO A 97 24.659 9.769 4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 97 25.105 12.160 2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 97 26.421 11.041 3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.787 11.425 0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 97 26.518 11.198 0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 97 24.869 9.149 0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.329 8.871 1.143 1.00 0.00 H new ATOM 1506 N SER A 98 22.234 10.379 2.351 1.00 0.00 N ATOM 1507 CA SER A 98 20.868 10.884 2.286 1.00 0.00 C ATOM 1508 C SER A 98 20.194 10.806 3.652 1.00 0.00 C ATOM 1509 O SER A 98 19.794 9.730 4.098 1.00 0.00 O ATOM 1510 CB SER A 98 20.057 10.092 1.258 1.00 0.00 C ATOM 1511 OG SER A 98 20.549 10.305 -0.053 1.00 0.00 O ATOM 0 H SER A 98 22.496 9.770 1.576 1.00 0.00 H new ATOM 0 HA SER A 98 20.908 11.929 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 98 20.099 9.029 1.497 1.00 0.00 H new ATOM 0 HB3 SER A 98 19.010 10.389 1.309 1.00 0.00 H new ATOM 0 HG SER A 98 20.015 9.787 -0.691 1.00 0.00 H new ATOM 1517 N SER A 99 20.071 11.953 4.312 1.00 0.00 N ATOM 1518 CA SER A 99 19.450 12.015 5.630 1.00 0.00 C ATOM 1519 C SER A 99 18.044 11.423 5.595 1.00 0.00 C ATOM 1520 O SER A 99 17.305 11.604 4.628 1.00 0.00 O ATOM 1521 CB SER A 99 19.394 13.462 6.123 1.00 0.00 C ATOM 1522 OG SER A 99 20.697 13.989 6.305 1.00 0.00 O ATOM 0 H SER A 99 20.393 12.853 3.955 1.00 0.00 H new ATOM 0 HA SER A 99 20.057 11.427 6.319 1.00 0.00 H new ATOM 0 HB2 SER A 99 18.848 14.073 5.405 1.00 0.00 H new ATOM 0 HB3 SER A 99 18.845 13.508 7.063 1.00 0.00 H new ATOM 0 HG SER A 99 20.634 14.915 6.619 1.00 0.00 H new ATOM 1528 N GLY A 100 17.681 10.713 6.659 1.00 0.00 N ATOM 1529 CA GLY A 100 16.365 10.104 6.732 1.00 0.00 C ATOM 1530 C GLY A 100 15.854 9.997 8.155 1.00 0.00 C ATOM 1531 O GLY A 100 14.988 10.766 8.570 1.00 0.00 O ATOM 0 H GLY A 100 18.275 10.549 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.663 10.691 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 100 16.403 9.110 6.287 1.00 0.00 H new TER 1535 GLY A 100