USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 646 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 25 MET CE :methyl -152:sc= -4.62! (180deg=-7.39!) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.572 X(o=-5.2,f=-5.2) USER MOD Set 2.1: A 47 HIS : no HD1:sc= -0.136 K(o=0.08,f=-15!) USER MOD Set 2.2: A 49 GLN : amide:sc= 0.217 K(o=0.08,f=-8.2!) USER MOD Single : A 15 MET CE :methyl -166:sc= 0 (180deg=-0.294) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -122:sc= 0.537 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -143:sc= -0.096 (180deg=-0.236) USER MOD Single : A 43 THR OG1 : rot 93:sc= 1.12 USER MOD Single : A 44 MET CE :methyl -100:sc= -0.149 (180deg=-2.57!) USER MOD Single : A 52 SER OG : rot 180:sc= -1.54! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 90:sc= 1.25 USER MOD Single : A 83 SER OG : rot -173:sc= -0.688! USER MOD Single : A 85 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.016) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 9.203 -3.874 -12.436 1.00 0.00 N ATOM 2 CA MET A 15 8.897 -4.960 -11.460 1.00 0.00 C ATOM 3 C MET A 15 9.361 -4.581 -10.053 1.00 0.00 C ATOM 4 O MET A 15 10.375 -3.902 -9.895 1.00 0.00 O ATOM 5 CB MET A 15 9.597 -6.245 -11.925 1.00 0.00 C ATOM 6 CG MET A 15 9.086 -7.507 -11.242 1.00 0.00 C ATOM 7 SD MET A 15 10.375 -8.362 -10.318 1.00 0.00 S ATOM 8 CE MET A 15 9.996 -10.069 -10.707 1.00 0.00 C ATOM 0 HA MET A 15 7.819 -5.115 -11.419 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.467 -6.349 -13.002 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.667 -6.151 -11.740 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.271 -7.246 -10.566 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.674 -8.181 -11.993 1.00 0.00 H new ATOM 0 HE1 MET A 15 10.536 -10.726 -10.025 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.924 -10.237 -10.600 1.00 0.00 H new ATOM 0 HE3 MET A 15 10.296 -10.284 -11.733 1.00 0.00 H new ATOM 18 N MET A 16 8.615 -5.022 -9.039 1.00 0.00 N ATOM 19 CA MET A 16 8.955 -4.725 -7.648 1.00 0.00 C ATOM 20 C MET A 16 8.820 -5.971 -6.769 1.00 0.00 C ATOM 21 O MET A 16 7.999 -6.848 -7.043 1.00 0.00 O ATOM 22 CB MET A 16 8.066 -3.599 -7.110 1.00 0.00 C ATOM 23 CG MET A 16 8.715 -2.224 -7.181 1.00 0.00 C ATOM 24 SD MET A 16 7.660 -0.997 -7.975 1.00 0.00 S ATOM 25 CE MET A 16 8.390 0.520 -7.365 1.00 0.00 C ATOM 0 H MET A 16 7.773 -5.585 -9.155 1.00 0.00 H new ATOM 0 HA MET A 16 9.995 -4.399 -7.618 1.00 0.00 H new ATOM 0 HB2 MET A 16 7.134 -3.581 -7.675 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.806 -3.816 -6.074 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.959 -1.889 -6.173 1.00 0.00 H new ATOM 0 HG3 MET A 16 9.655 -2.298 -7.728 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.846 1.374 -7.769 1.00 0.00 H new ATOM 0 HE2 MET A 16 8.336 0.538 -6.276 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.433 0.573 -7.678 1.00 0.00 H new ATOM 35 N LYS A 17 9.631 -6.040 -5.715 1.00 0.00 N ATOM 36 CA LYS A 17 9.608 -7.181 -4.796 1.00 0.00 C ATOM 37 C LYS A 17 8.378 -7.145 -3.880 1.00 0.00 C ATOM 38 O LYS A 17 8.495 -6.990 -2.661 1.00 0.00 O ATOM 39 CB LYS A 17 10.895 -7.205 -3.962 1.00 0.00 C ATOM 40 CG LYS A 17 11.138 -8.525 -3.248 1.00 0.00 C ATOM 41 CD LYS A 17 12.287 -8.414 -2.254 1.00 0.00 C ATOM 42 CE LYS A 17 12.058 -9.287 -1.030 1.00 0.00 C ATOM 43 NZ LYS A 17 11.213 -8.600 -0.008 1.00 0.00 N ATOM 0 H LYS A 17 10.313 -5.320 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 17 9.547 -8.092 -5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.743 -6.993 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.853 -6.405 -3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.231 -8.831 -2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.361 -9.301 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.218 -8.706 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.401 -7.375 -1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.578 -10.218 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.018 -9.553 -0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.080 -9.227 0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.683 -7.725 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.287 -8.369 -0.421 1.00 0.00 H new ATOM 57 N LEU A 18 7.194 -7.301 -4.475 1.00 0.00 N ATOM 58 CA LEU A 18 5.939 -7.294 -3.716 1.00 0.00 C ATOM 59 C LEU A 18 5.708 -8.643 -3.019 1.00 0.00 C ATOM 60 O LEU A 18 4.724 -9.340 -3.288 1.00 0.00 O ATOM 61 CB LEU A 18 4.760 -6.959 -4.640 1.00 0.00 C ATOM 62 CG LEU A 18 4.536 -5.466 -4.890 1.00 0.00 C ATOM 63 CD1 LEU A 18 5.211 -5.034 -6.180 1.00 0.00 C ATOM 64 CD2 LEU A 18 3.050 -5.150 -4.939 1.00 0.00 C ATOM 0 H LEU A 18 7.076 -7.434 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 18 6.012 -6.525 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.918 -7.453 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.851 -7.380 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 18 4.981 -4.910 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.041 -3.969 -6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.282 -5.224 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.795 -5.598 -7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.910 -4.084 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.584 -5.717 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.589 -5.422 -3.990 1.00 0.00 H new ATOM 76 N GLY A 19 6.624 -9.002 -2.119 1.00 0.00 N ATOM 77 CA GLY A 19 6.512 -10.262 -1.395 1.00 0.00 C ATOM 78 C GLY A 19 6.794 -11.466 -2.275 1.00 0.00 C ATOM 79 O GLY A 19 7.837 -12.106 -2.141 1.00 0.00 O ATOM 0 H GLY A 19 7.442 -8.443 -1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.208 -10.258 -0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.509 -10.349 -0.977 1.00 0.00 H new ATOM 83 N LEU A 20 5.868 -11.763 -3.183 1.00 0.00 N ATOM 84 CA LEU A 20 6.019 -12.890 -4.102 1.00 0.00 C ATOM 85 C LEU A 20 6.911 -12.511 -5.290 1.00 0.00 C ATOM 86 O LEU A 20 6.836 -11.393 -5.799 1.00 0.00 O ATOM 87 CB LEU A 20 4.641 -13.348 -4.601 1.00 0.00 C ATOM 88 CG LEU A 20 4.296 -14.818 -4.336 1.00 0.00 C ATOM 89 CD1 LEU A 20 5.373 -15.737 -4.888 1.00 0.00 C ATOM 90 CD2 LEU A 20 4.097 -15.060 -2.849 1.00 0.00 C ATOM 0 H LEU A 20 5.002 -11.238 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 20 6.496 -13.710 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.879 -12.724 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.585 -13.168 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 20 3.362 -15.045 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.104 -16.774 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.463 -15.587 -5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.326 -15.510 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.853 -16.109 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.013 -14.810 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.282 -14.435 -2.484 1.00 0.00 H new ATOM 102 N VAL A 21 7.754 -13.449 -5.725 1.00 0.00 N ATOM 103 CA VAL A 21 8.660 -13.210 -6.855 1.00 0.00 C ATOM 104 C VAL A 21 7.886 -12.911 -8.143 1.00 0.00 C ATOM 105 O VAL A 21 8.352 -12.154 -8.994 1.00 0.00 O ATOM 106 CB VAL A 21 9.600 -14.416 -7.097 1.00 0.00 C ATOM 107 CG1 VAL A 21 10.459 -14.196 -8.335 1.00 0.00 C ATOM 108 CG2 VAL A 21 10.480 -14.668 -5.882 1.00 0.00 C ATOM 0 H VAL A 21 7.830 -14.380 -5.315 1.00 0.00 H new ATOM 0 HA VAL A 21 9.260 -12.340 -6.590 1.00 0.00 H new ATOM 0 HB VAL A 21 8.978 -15.296 -7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.111 -15.057 -8.483 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.816 -14.073 -9.207 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.066 -13.300 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.132 -15.520 -6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.087 -13.785 -5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.853 -14.880 -5.016 1.00 0.00 H new ATOM 118 N ARG A 22 6.704 -13.510 -8.285 1.00 0.00 N ATOM 119 CA ARG A 22 5.878 -13.297 -9.470 1.00 0.00 C ATOM 120 C ARG A 22 4.658 -12.430 -9.150 1.00 0.00 C ATOM 121 O ARG A 22 4.402 -12.100 -7.988 1.00 0.00 O ATOM 122 CB ARG A 22 5.440 -14.645 -10.059 1.00 0.00 C ATOM 123 CG ARG A 22 6.568 -15.413 -10.737 1.00 0.00 C ATOM 124 CD ARG A 22 7.451 -14.499 -11.576 1.00 0.00 C ATOM 125 NE ARG A 22 8.333 -15.252 -12.474 1.00 0.00 N ATOM 126 CZ ARG A 22 7.953 -15.784 -13.630 1.00 0.00 C ATOM 127 NH1 ARG A 22 6.703 -15.677 -14.040 1.00 0.00 N ATOM 128 NH2 ARG A 22 8.827 -16.429 -14.373 1.00 0.00 N ATOM 0 H ARG A 22 6.299 -14.144 -7.596 1.00 0.00 H new ATOM 0 HA ARG A 22 6.478 -12.766 -10.209 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.021 -15.260 -9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.643 -14.474 -10.783 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.175 -15.910 -9.980 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.147 -16.193 -11.371 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.823 -13.829 -12.164 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.054 -13.874 -10.917 1.00 0.00 H new ATOM 0 HE ARG A 22 9.305 -15.376 -12.191 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.019 -15.182 -13.467 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.421 -16.089 -14.929 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.794 -16.519 -14.061 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.538 -16.839 -15.261 1.00 0.00 H new ATOM 142 N PHE A 23 3.914 -12.056 -10.191 1.00 0.00 N ATOM 143 CA PHE A 23 2.721 -11.215 -10.035 1.00 0.00 C ATOM 144 C PHE A 23 1.595 -11.956 -9.299 1.00 0.00 C ATOM 145 O PHE A 23 0.506 -12.159 -9.840 1.00 0.00 O ATOM 146 CB PHE A 23 2.236 -10.732 -11.408 1.00 0.00 C ATOM 147 CG PHE A 23 3.314 -10.096 -12.243 1.00 0.00 C ATOM 148 CD1 PHE A 23 4.022 -9.002 -11.769 1.00 0.00 C ATOM 149 CD2 PHE A 23 3.622 -10.595 -13.498 1.00 0.00 C ATOM 150 CE1 PHE A 23 5.016 -8.419 -12.531 1.00 0.00 C ATOM 151 CE2 PHE A 23 4.614 -10.015 -14.266 1.00 0.00 C ATOM 152 CZ PHE A 23 5.313 -8.926 -13.781 1.00 0.00 C ATOM 0 H PHE A 23 4.115 -12.322 -11.155 1.00 0.00 H new ATOM 0 HA PHE A 23 2.996 -10.353 -9.427 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.818 -11.578 -11.954 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.428 -10.014 -11.266 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.794 -8.601 -10.793 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.081 -11.447 -13.881 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.560 -7.568 -12.150 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.843 -10.412 -15.244 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.090 -8.472 -14.378 1.00 0.00 H new ATOM 162 N SER A 24 1.866 -12.344 -8.053 1.00 0.00 N ATOM 163 CA SER A 24 0.888 -13.047 -7.224 1.00 0.00 C ATOM 164 C SER A 24 0.227 -12.088 -6.233 1.00 0.00 C ATOM 165 O SER A 24 0.263 -10.869 -6.418 1.00 0.00 O ATOM 166 CB SER A 24 1.564 -14.199 -6.473 1.00 0.00 C ATOM 167 OG SER A 24 0.611 -14.972 -5.754 1.00 0.00 O ATOM 0 H SER A 24 2.762 -12.182 -7.593 1.00 0.00 H new ATOM 0 HA SER A 24 0.115 -13.453 -7.876 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.094 -14.836 -7.180 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.308 -13.800 -5.783 1.00 0.00 H new ATOM 0 HG SER A 24 0.847 -14.980 -4.803 1.00 0.00 H new ATOM 173 N MET A 25 -0.373 -12.644 -5.179 1.00 0.00 N ATOM 174 CA MET A 25 -1.038 -11.841 -4.153 1.00 0.00 C ATOM 175 C MET A 25 -2.075 -10.895 -4.771 1.00 0.00 C ATOM 176 O MET A 25 -2.178 -9.730 -4.383 1.00 0.00 O ATOM 177 CB MET A 25 0.003 -11.043 -3.359 1.00 0.00 C ATOM 178 CG MET A 25 -0.425 -10.717 -1.937 1.00 0.00 C ATOM 179 SD MET A 25 -0.948 -12.177 -1.020 1.00 0.00 S ATOM 180 CE MET A 25 -2.727 -11.960 -1.033 1.00 0.00 C ATOM 0 H MET A 25 -0.412 -13.650 -5.014 1.00 0.00 H new ATOM 0 HA MET A 25 -1.564 -12.517 -3.479 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.934 -11.609 -3.327 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.214 -10.113 -3.887 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.403 -10.240 -1.412 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.243 -9.997 -1.964 1.00 0.00 H new ATOM 0 HE1 MET A 25 -3.158 -12.436 -0.152 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.964 -10.896 -1.023 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.143 -12.416 -1.932 1.00 0.00 H new ATOM 190 N LEU A 26 -2.843 -11.413 -5.737 1.00 0.00 N ATOM 191 CA LEU A 26 -3.874 -10.626 -6.424 1.00 0.00 C ATOM 192 C LEU A 26 -4.707 -9.789 -5.446 1.00 0.00 C ATOM 193 O LEU A 26 -5.082 -8.655 -5.759 1.00 0.00 O ATOM 194 CB LEU A 26 -4.790 -11.547 -7.242 1.00 0.00 C ATOM 195 CG LEU A 26 -5.546 -12.609 -6.437 1.00 0.00 C ATOM 196 CD1 LEU A 26 -6.943 -12.122 -6.090 1.00 0.00 C ATOM 197 CD2 LEU A 26 -5.621 -13.912 -7.215 1.00 0.00 C ATOM 0 H LEU A 26 -2.769 -12.377 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.362 -9.936 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.517 -10.931 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.188 -12.050 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.001 -12.788 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.464 -12.890 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.874 -11.211 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.495 -11.915 -7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.161 -14.655 -6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.143 -13.744 -8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.613 -14.273 -7.418 1.00 0.00 H new ATOM 209 N LEU A 27 -4.989 -10.348 -4.265 1.00 0.00 N ATOM 210 CA LEU A 27 -5.776 -9.649 -3.244 1.00 0.00 C ATOM 211 C LEU A 27 -5.275 -8.216 -3.021 1.00 0.00 C ATOM 212 O LEU A 27 -6.073 -7.307 -2.780 1.00 0.00 O ATOM 213 CB LEU A 27 -5.748 -10.426 -1.924 1.00 0.00 C ATOM 214 CG LEU A 27 -6.981 -11.291 -1.658 1.00 0.00 C ATOM 215 CD1 LEU A 27 -6.610 -12.522 -0.847 1.00 0.00 C ATOM 216 CD2 LEU A 27 -8.052 -10.485 -0.941 1.00 0.00 C ATOM 0 H LEU A 27 -4.684 -11.282 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.803 -9.591 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.865 -11.065 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.637 -9.716 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.380 -11.621 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.502 -13.123 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.878 -13.113 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.184 -12.214 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.922 -11.116 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.660 -10.125 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.343 -9.635 -1.559 1.00 0.00 H new ATOM 228 N ALA A 28 -3.954 -8.019 -3.113 1.00 0.00 N ATOM 229 CA ALA A 28 -3.355 -6.696 -2.932 1.00 0.00 C ATOM 230 C ALA A 28 -4.113 -5.628 -3.728 1.00 0.00 C ATOM 231 O ALA A 28 -4.361 -4.527 -3.225 1.00 0.00 O ATOM 232 CB ALA A 28 -1.886 -6.728 -3.337 1.00 0.00 C ATOM 0 H ALA A 28 -3.282 -8.760 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.425 -6.431 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.449 -5.739 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.353 -7.450 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.804 -7.018 -4.384 1.00 0.00 H new ATOM 238 N LEU A 29 -4.497 -5.967 -4.965 1.00 0.00 N ATOM 239 CA LEU A 29 -5.243 -5.045 -5.826 1.00 0.00 C ATOM 240 C LEU A 29 -6.418 -4.420 -5.073 1.00 0.00 C ATOM 241 O LEU A 29 -6.669 -3.220 -5.191 1.00 0.00 O ATOM 242 CB LEU A 29 -5.745 -5.771 -7.080 1.00 0.00 C ATOM 243 CG LEU A 29 -5.176 -5.251 -8.401 1.00 0.00 C ATOM 244 CD1 LEU A 29 -4.707 -6.404 -9.273 1.00 0.00 C ATOM 245 CD2 LEU A 29 -6.212 -4.418 -9.137 1.00 0.00 C ATOM 0 H LEU A 29 -4.303 -6.873 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.567 -4.245 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.503 -6.830 -6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.832 -5.694 -7.115 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.318 -4.617 -8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.306 -6.013 -10.208 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.931 -6.963 -8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.548 -7.064 -9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.789 -4.057 -10.074 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.089 -5.030 -9.347 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.502 -3.569 -8.519 1.00 0.00 H new ATOM 257 N ALA A 30 -7.119 -5.236 -4.283 1.00 0.00 N ATOM 258 CA ALA A 30 -8.249 -4.755 -3.491 1.00 0.00 C ATOM 259 C ALA A 30 -7.796 -3.691 -2.493 1.00 0.00 C ATOM 260 O ALA A 30 -8.483 -2.690 -2.286 1.00 0.00 O ATOM 261 CB ALA A 30 -8.923 -5.917 -2.772 1.00 0.00 C ATOM 0 H ALA A 30 -6.923 -6.231 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.974 -4.298 -4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.763 -5.544 -2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.284 -6.638 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.205 -6.401 -2.110 1.00 0.00 H new ATOM 267 N LEU A 31 -6.617 -3.898 -1.899 1.00 0.00 N ATOM 268 CA LEU A 31 -6.059 -2.942 -0.945 1.00 0.00 C ATOM 269 C LEU A 31 -5.619 -1.675 -1.675 1.00 0.00 C ATOM 270 O LEU A 31 -5.903 -0.559 -1.232 1.00 0.00 O ATOM 271 CB LEU A 31 -4.882 -3.563 -0.190 1.00 0.00 C ATOM 272 CG LEU A 31 -5.271 -4.515 0.944 1.00 0.00 C ATOM 273 CD1 LEU A 31 -5.179 -5.960 0.485 1.00 0.00 C ATOM 274 CD2 LEU A 31 -4.386 -4.287 2.156 1.00 0.00 C ATOM 0 H LEU A 31 -6.033 -4.718 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.828 -2.680 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.259 -4.105 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.271 -2.761 0.223 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.304 -4.309 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.459 -6.621 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.854 -6.118 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.157 -6.179 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.676 -4.972 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.345 -4.465 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.500 -3.260 2.502 1.00 0.00 H new ATOM 286 N VAL A 32 -4.949 -1.862 -2.814 1.00 0.00 N ATOM 287 CA VAL A 32 -4.497 -0.740 -3.633 1.00 0.00 C ATOM 288 C VAL A 32 -5.693 0.117 -4.041 1.00 0.00 C ATOM 289 O VAL A 32 -5.702 1.333 -3.833 1.00 0.00 O ATOM 290 CB VAL A 32 -3.749 -1.224 -4.897 1.00 0.00 C ATOM 291 CG1 VAL A 32 -3.256 -0.046 -5.722 1.00 0.00 C ATOM 292 CG2 VAL A 32 -2.586 -2.133 -4.519 1.00 0.00 C ATOM 0 H VAL A 32 -4.709 -2.780 -3.188 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.803 -0.148 -3.036 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.451 -1.795 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.733 -0.414 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.106 0.563 -6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.575 0.558 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.073 -2.462 -5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.888 -1.586 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.964 -3.001 -3.979 1.00 0.00 H new ATOM 302 N VAL A 33 -6.722 -0.536 -4.592 1.00 0.00 N ATOM 303 CA VAL A 33 -7.942 0.154 -4.995 1.00 0.00 C ATOM 304 C VAL A 33 -8.596 0.813 -3.781 1.00 0.00 C ATOM 305 O VAL A 33 -8.980 1.982 -3.835 1.00 0.00 O ATOM 306 CB VAL A 33 -8.949 -0.808 -5.667 1.00 0.00 C ATOM 307 CG1 VAL A 33 -10.290 -0.123 -5.888 1.00 0.00 C ATOM 308 CG2 VAL A 33 -8.396 -1.328 -6.985 1.00 0.00 C ATOM 0 H VAL A 33 -6.730 -1.541 -4.767 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.664 0.915 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.104 -1.654 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.981 -0.820 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.698 0.197 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.153 0.746 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.119 -2.003 -7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.207 -0.490 -7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.465 -1.864 -6.803 1.00 0.00 H new ATOM 318 N LEU A 34 -8.700 0.058 -2.679 1.00 0.00 N ATOM 319 CA LEU A 34 -9.286 0.576 -1.443 1.00 0.00 C ATOM 320 C LEU A 34 -8.595 1.875 -1.034 1.00 0.00 C ATOM 321 O LEU A 34 -9.254 2.890 -0.801 1.00 0.00 O ATOM 322 CB LEU A 34 -9.166 -0.458 -0.317 1.00 0.00 C ATOM 323 CG LEU A 34 -10.374 -1.380 -0.146 1.00 0.00 C ATOM 324 CD1 LEU A 34 -10.002 -2.597 0.685 1.00 0.00 C ATOM 325 CD2 LEU A 34 -11.529 -0.631 0.499 1.00 0.00 C ATOM 0 H LEU A 34 -8.386 -0.911 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.342 0.778 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.284 -1.072 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.996 0.069 0.622 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.690 -1.719 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.874 -3.242 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.204 -3.148 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.661 -2.275 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.380 -1.303 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.223 -0.264 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.814 0.211 -0.131 1.00 0.00 H new ATOM 337 N ALA A 35 -7.261 1.837 -0.965 1.00 0.00 N ATOM 338 CA ALA A 35 -6.473 3.015 -0.605 1.00 0.00 C ATOM 339 C ALA A 35 -6.771 4.178 -1.551 1.00 0.00 C ATOM 340 O ALA A 35 -7.071 5.287 -1.104 1.00 0.00 O ATOM 341 CB ALA A 35 -4.988 2.683 -0.616 1.00 0.00 C ATOM 0 H ALA A 35 -6.706 1.002 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.753 3.319 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.415 3.570 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.787 1.889 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.697 2.352 -1.613 1.00 0.00 H new ATOM 347 N ILE A 36 -6.706 3.911 -2.858 1.00 0.00 N ATOM 348 CA ILE A 36 -6.986 4.935 -3.869 1.00 0.00 C ATOM 349 C ILE A 36 -8.375 5.538 -3.653 1.00 0.00 C ATOM 350 O ILE A 36 -8.525 6.760 -3.581 1.00 0.00 O ATOM 351 CB ILE A 36 -6.891 4.360 -5.303 1.00 0.00 C ATOM 352 CG1 ILE A 36 -5.469 3.870 -5.592 1.00 0.00 C ATOM 353 CG2 ILE A 36 -7.305 5.407 -6.330 1.00 0.00 C ATOM 354 CD1 ILE A 36 -5.385 2.916 -6.764 1.00 0.00 C ATOM 0 H ILE A 36 -6.463 2.997 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.231 5.713 -3.759 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.574 3.513 -5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.830 4.731 -5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.076 3.376 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.231 4.983 -7.332 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.333 5.715 -6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.647 6.272 -6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.349 2.610 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.998 2.037 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.748 3.413 -7.664 1.00 0.00 H new ATOM 366 N VAL A 37 -9.385 4.672 -3.537 1.00 0.00 N ATOM 367 CA VAL A 37 -10.762 5.114 -3.313 1.00 0.00 C ATOM 368 C VAL A 37 -10.858 5.955 -2.042 1.00 0.00 C ATOM 369 O VAL A 37 -11.402 7.061 -2.061 1.00 0.00 O ATOM 370 CB VAL A 37 -11.735 3.917 -3.215 1.00 0.00 C ATOM 371 CG1 VAL A 37 -13.130 4.376 -2.812 1.00 0.00 C ATOM 372 CG2 VAL A 37 -11.788 3.163 -4.534 1.00 0.00 C ATOM 0 H VAL A 37 -9.274 3.660 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.049 5.722 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.362 3.245 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.793 3.513 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.085 4.868 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.512 5.075 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.478 2.324 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.130 3.833 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.794 2.791 -4.781 1.00 0.00 H new ATOM 382 N VAL A 38 -10.309 5.434 -0.942 1.00 0.00 N ATOM 383 CA VAL A 38 -10.315 6.150 0.334 1.00 0.00 C ATOM 384 C VAL A 38 -9.664 7.524 0.174 1.00 0.00 C ATOM 385 O VAL A 38 -10.238 8.541 0.567 1.00 0.00 O ATOM 386 CB VAL A 38 -9.583 5.350 1.437 1.00 0.00 C ATOM 387 CG1 VAL A 38 -9.266 6.231 2.637 1.00 0.00 C ATOM 388 CG2 VAL A 38 -10.416 4.152 1.864 1.00 0.00 C ATOM 0 H VAL A 38 -9.856 4.521 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.355 6.274 0.637 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.640 4.993 1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.752 5.641 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.626 7.056 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.193 6.627 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.887 3.599 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.375 4.495 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.584 3.501 1.006 1.00 0.00 H new ATOM 398 N GLN A 39 -8.473 7.546 -0.430 1.00 0.00 N ATOM 399 CA GLN A 39 -7.748 8.797 -0.668 1.00 0.00 C ATOM 400 C GLN A 39 -8.589 9.753 -1.515 1.00 0.00 C ATOM 401 O GLN A 39 -8.712 10.941 -1.193 1.00 0.00 O ATOM 402 CB GLN A 39 -6.419 8.511 -1.367 1.00 0.00 C ATOM 403 CG GLN A 39 -5.341 7.989 -0.429 1.00 0.00 C ATOM 404 CD GLN A 39 -4.029 7.729 -1.139 1.00 0.00 C ATOM 405 OE1 GLN A 39 -3.646 6.584 -1.355 1.00 0.00 O ATOM 406 NE2 GLN A 39 -3.332 8.794 -1.509 1.00 0.00 N ATOM 0 H GLN A 39 -7.990 6.712 -0.763 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.549 9.268 0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.584 7.782 -2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.064 9.425 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.180 8.711 0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.686 7.067 0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.686 9.730 -1.310 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.441 8.678 -1.993 1.00 0.00 H new ATOM 415 N MET A 40 -9.177 9.224 -2.590 1.00 0.00 N ATOM 416 CA MET A 40 -10.024 10.018 -3.476 1.00 0.00 C ATOM 417 C MET A 40 -11.203 10.598 -2.696 1.00 0.00 C ATOM 418 O MET A 40 -11.476 11.797 -2.771 1.00 0.00 O ATOM 419 CB MET A 40 -10.527 9.158 -4.641 1.00 0.00 C ATOM 420 CG MET A 40 -11.115 9.963 -5.789 1.00 0.00 C ATOM 421 SD MET A 40 -9.948 10.187 -7.145 1.00 0.00 S ATOM 422 CE MET A 40 -9.241 11.777 -6.726 1.00 0.00 C ATOM 0 H MET A 40 -9.081 8.247 -2.867 1.00 0.00 H new ATOM 0 HA MET A 40 -9.434 10.840 -3.881 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.701 8.555 -5.018 1.00 0.00 H new ATOM 0 HB3 MET A 40 -11.283 8.466 -4.270 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.007 9.460 -6.161 1.00 0.00 H new ATOM 0 HG3 MET A 40 -11.430 10.939 -5.420 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.058 12.346 -7.638 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.934 12.326 -6.088 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.300 11.629 -6.196 1.00 0.00 H new ATOM 432 N ALA A 41 -11.882 9.742 -1.929 1.00 0.00 N ATOM 433 CA ALA A 41 -13.017 10.168 -1.113 1.00 0.00 C ATOM 434 C ALA A 41 -12.591 11.256 -0.128 1.00 0.00 C ATOM 435 O ALA A 41 -13.158 12.350 -0.118 1.00 0.00 O ATOM 436 CB ALA A 41 -13.614 8.975 -0.376 1.00 0.00 C ATOM 0 H ALA A 41 -11.664 8.748 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.781 10.585 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.459 9.306 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.954 8.233 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.857 8.531 0.271 1.00 0.00 H new ATOM 442 N VAL A 42 -11.574 10.954 0.683 1.00 0.00 N ATOM 443 CA VAL A 42 -11.056 11.915 1.659 1.00 0.00 C ATOM 444 C VAL A 42 -10.715 13.239 0.976 1.00 0.00 C ATOM 445 O VAL A 42 -11.102 14.309 1.446 1.00 0.00 O ATOM 446 CB VAL A 42 -9.803 11.372 2.386 1.00 0.00 C ATOM 447 CG1 VAL A 42 -9.228 12.419 3.330 1.00 0.00 C ATOM 448 CG2 VAL A 42 -10.133 10.097 3.147 1.00 0.00 C ATOM 0 H VAL A 42 -11.094 10.054 0.683 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.839 12.077 2.400 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.051 11.140 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.348 12.014 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.947 13.306 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.977 12.688 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.238 9.732 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.907 10.304 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.491 9.340 2.450 1.00 0.00 H new ATOM 458 N THR A 43 -10.007 13.153 -0.150 1.00 0.00 N ATOM 459 CA THR A 43 -9.625 14.340 -0.920 1.00 0.00 C ATOM 460 C THR A 43 -10.866 15.092 -1.407 1.00 0.00 C ATOM 461 O THR A 43 -10.937 16.316 -1.307 1.00 0.00 O ATOM 462 CB THR A 43 -8.751 13.948 -2.117 1.00 0.00 C ATOM 463 OG1 THR A 43 -7.682 13.112 -1.709 1.00 0.00 O ATOM 464 CG2 THR A 43 -8.144 15.133 -2.835 1.00 0.00 C ATOM 0 H THR A 43 -9.685 12.272 -0.551 1.00 0.00 H new ATOM 0 HA THR A 43 -9.052 14.996 -0.265 1.00 0.00 H new ATOM 0 HB THR A 43 -9.425 13.431 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.945 12.173 -1.807 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.539 14.781 -3.670 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.939 15.778 -3.209 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.516 15.695 -2.143 1.00 0.00 H new ATOM 472 N MET A 44 -11.843 14.346 -1.931 1.00 0.00 N ATOM 473 CA MET A 44 -13.088 14.931 -2.436 1.00 0.00 C ATOM 474 C MET A 44 -13.882 15.619 -1.321 1.00 0.00 C ATOM 475 O MET A 44 -14.416 16.710 -1.516 1.00 0.00 O ATOM 476 CB MET A 44 -13.946 13.852 -3.104 1.00 0.00 C ATOM 477 CG MET A 44 -14.851 14.384 -4.205 1.00 0.00 C ATOM 478 SD MET A 44 -16.593 14.376 -3.736 1.00 0.00 S ATOM 479 CE MET A 44 -16.838 16.098 -3.308 1.00 0.00 C ATOM 0 H MET A 44 -11.795 13.331 -2.017 1.00 0.00 H new ATOM 0 HA MET A 44 -12.823 15.689 -3.173 1.00 0.00 H new ATOM 0 HB2 MET A 44 -13.291 13.087 -3.522 1.00 0.00 H new ATOM 0 HB3 MET A 44 -14.559 13.367 -2.345 1.00 0.00 H new ATOM 0 HG2 MET A 44 -14.551 15.401 -4.457 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.718 13.781 -5.103 1.00 0.00 H new ATOM 0 HE1 MET A 44 -16.800 16.213 -2.225 1.00 0.00 H new ATOM 0 HE2 MET A 44 -16.054 16.702 -3.765 1.00 0.00 H new ATOM 0 HE3 MET A 44 -17.810 16.429 -3.674 1.00 0.00 H new ATOM 489 N VAL A 45 -13.962 14.975 -0.154 1.00 0.00 N ATOM 490 CA VAL A 45 -14.697 15.541 0.984 1.00 0.00 C ATOM 491 C VAL A 45 -13.922 16.691 1.642 1.00 0.00 C ATOM 492 O VAL A 45 -14.522 17.577 2.254 1.00 0.00 O ATOM 493 CB VAL A 45 -15.030 14.470 2.048 1.00 0.00 C ATOM 494 CG1 VAL A 45 -15.909 13.379 1.454 1.00 0.00 C ATOM 495 CG2 VAL A 45 -13.764 13.870 2.639 1.00 0.00 C ATOM 0 H VAL A 45 -13.531 14.069 0.029 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.631 15.930 0.580 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.579 14.959 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.132 12.635 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.839 13.818 1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -15.386 12.902 0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.030 13.120 3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.179 13.403 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.174 14.656 3.110 1.00 0.00 H new ATOM 505 N LEU A 46 -12.594 16.673 1.509 1.00 0.00 N ATOM 506 CA LEU A 46 -11.746 17.717 2.082 1.00 0.00 C ATOM 507 C LEU A 46 -11.645 18.921 1.138 1.00 0.00 C ATOM 508 O LEU A 46 -12.285 18.951 0.086 1.00 0.00 O ATOM 509 CB LEU A 46 -10.345 17.157 2.378 1.00 0.00 C ATOM 510 CG LEU A 46 -10.001 16.999 3.861 1.00 0.00 C ATOM 511 CD1 LEU A 46 -9.849 18.358 4.525 1.00 0.00 C ATOM 512 CD2 LEU A 46 -11.061 16.175 4.572 1.00 0.00 C ATOM 0 H LEU A 46 -12.083 15.945 1.009 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.200 18.052 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.252 16.184 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.606 17.813 1.919 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.049 16.473 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.605 18.223 5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.050 18.915 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.783 18.912 4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.798 16.074 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.027 16.672 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.120 15.186 4.117 1.00 0.00 H new ATOM 524 N HIS A 47 -10.836 19.910 1.520 1.00 0.00 N ATOM 525 CA HIS A 47 -10.647 21.115 0.707 1.00 0.00 C ATOM 526 C HIS A 47 -10.319 20.762 -0.750 1.00 0.00 C ATOM 527 O HIS A 47 -10.890 21.338 -1.679 1.00 0.00 O ATOM 528 CB HIS A 47 -9.532 21.984 1.302 1.00 0.00 C ATOM 529 CG HIS A 47 -9.332 23.280 0.581 1.00 0.00 C ATOM 530 ND1 HIS A 47 -10.004 24.436 0.910 1.00 0.00 N ATOM 531 CD2 HIS A 47 -8.533 23.596 -0.462 1.00 0.00 C ATOM 532 CE1 HIS A 47 -9.628 25.409 0.100 1.00 0.00 C ATOM 533 NE2 HIS A 47 -8.734 24.926 -0.743 1.00 0.00 N ATOM 0 H HIS A 47 -10.300 19.901 2.388 1.00 0.00 H new ATOM 0 HA HIS A 47 -11.582 21.674 0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -9.763 22.191 2.347 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -8.598 21.422 1.287 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -7.861 22.927 -0.979 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.990 26.426 0.123 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -8.269 25.454 -1.482 1.00 0.00 H new ATOM 542 N GLY A 48 -9.400 19.814 -0.940 1.00 0.00 N ATOM 543 CA GLY A 48 -9.017 19.397 -2.284 1.00 0.00 C ATOM 544 C GLY A 48 -8.265 20.472 -3.048 1.00 0.00 C ATOM 545 O GLY A 48 -7.060 20.649 -2.855 1.00 0.00 O ATOM 0 H GLY A 48 -8.913 19.327 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.395 18.504 -2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.912 19.122 -2.842 1.00 0.00 H new ATOM 549 N GLN A 49 -8.977 21.187 -3.924 1.00 0.00 N ATOM 550 CA GLN A 49 -8.381 22.254 -4.742 1.00 0.00 C ATOM 551 C GLN A 49 -7.411 21.687 -5.788 1.00 0.00 C ATOM 552 O GLN A 49 -7.585 21.914 -6.986 1.00 0.00 O ATOM 553 CB GLN A 49 -7.671 23.288 -3.856 1.00 0.00 C ATOM 554 CG GLN A 49 -7.228 24.538 -4.611 1.00 0.00 C ATOM 555 CD GLN A 49 -7.107 25.764 -3.722 1.00 0.00 C ATOM 556 OE1 GLN A 49 -7.824 25.904 -2.730 1.00 0.00 O ATOM 557 NE2 GLN A 49 -6.199 26.663 -4.070 1.00 0.00 N ATOM 0 H GLN A 49 -9.974 21.047 -4.087 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.192 22.751 -5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.340 23.581 -3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.799 22.823 -3.397 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.266 24.346 -5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.942 24.745 -5.409 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.624 26.512 -4.899 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.075 27.506 -3.509 1.00 0.00 H new ATOM 566 N VAL A 50 -6.395 20.950 -5.328 1.00 0.00 N ATOM 567 CA VAL A 50 -5.402 20.348 -6.223 1.00 0.00 C ATOM 568 C VAL A 50 -4.842 19.046 -5.638 1.00 0.00 C ATOM 569 O VAL A 50 -4.226 19.048 -4.568 1.00 0.00 O ATOM 570 CB VAL A 50 -4.229 21.314 -6.518 1.00 0.00 C ATOM 571 CG1 VAL A 50 -4.579 22.257 -7.658 1.00 0.00 C ATOM 572 CG2 VAL A 50 -3.839 22.101 -5.274 1.00 0.00 C ATOM 0 H VAL A 50 -6.239 20.756 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.921 20.132 -7.157 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.371 20.713 -6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.740 22.926 -7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.791 21.678 -8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.457 22.844 -7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.013 22.771 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.693 22.685 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.532 21.411 -4.488 1.00 0.00 H new ATOM 582 N GLU A 51 -5.063 17.935 -6.342 1.00 0.00 N ATOM 583 CA GLU A 51 -4.590 16.618 -5.895 1.00 0.00 C ATOM 584 C GLU A 51 -3.060 16.494 -5.979 1.00 0.00 C ATOM 585 O GLU A 51 -2.537 15.605 -6.654 1.00 0.00 O ATOM 586 CB GLU A 51 -5.250 15.515 -6.733 1.00 0.00 C ATOM 587 CG GLU A 51 -6.699 15.239 -6.357 1.00 0.00 C ATOM 588 CD GLU A 51 -7.612 16.427 -6.594 1.00 0.00 C ATOM 589 OE1 GLU A 51 -7.483 17.077 -7.653 1.00 0.00 O ATOM 590 OE2 GLU A 51 -8.455 16.710 -5.717 1.00 0.00 O ATOM 0 H GLU A 51 -5.568 17.918 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.871 16.506 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.205 15.796 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.675 14.596 -6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.062 14.389 -6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.748 14.955 -5.306 1.00 0.00 H new ATOM 597 N SER A 52 -2.349 17.382 -5.277 1.00 0.00 N ATOM 598 CA SER A 52 -0.879 17.371 -5.257 1.00 0.00 C ATOM 599 C SER A 52 -0.294 17.547 -6.665 1.00 0.00 C ATOM 600 O SER A 52 0.037 16.567 -7.335 1.00 0.00 O ATOM 601 CB SER A 52 -0.366 16.067 -4.634 1.00 0.00 C ATOM 602 OG SER A 52 -0.142 16.220 -3.240 1.00 0.00 O ATOM 0 H SER A 52 -2.768 18.121 -4.712 1.00 0.00 H new ATOM 0 HA SER A 52 -0.550 18.214 -4.649 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.090 15.270 -4.804 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.560 15.766 -5.123 1.00 0.00 H new ATOM 0 HG SER A 52 0.183 15.374 -2.866 1.00 0.00 H new ATOM 608 N ILE A 53 -0.160 18.798 -7.107 1.00 0.00 N ATOM 609 CA ILE A 53 0.394 19.087 -8.438 1.00 0.00 C ATOM 610 C ILE A 53 1.852 19.560 -8.358 1.00 0.00 C ATOM 611 O ILE A 53 2.770 18.801 -8.670 1.00 0.00 O ATOM 612 CB ILE A 53 -0.450 20.131 -9.218 1.00 0.00 C ATOM 613 CG1 ILE A 53 -1.115 21.138 -8.275 1.00 0.00 C ATOM 614 CG2 ILE A 53 -1.505 19.428 -10.061 1.00 0.00 C ATOM 615 CD1 ILE A 53 -1.276 22.516 -8.879 1.00 0.00 C ATOM 0 H ILE A 53 -0.424 19.624 -6.570 1.00 0.00 H new ATOM 0 HA ILE A 53 0.359 18.145 -8.985 1.00 0.00 H new ATOM 0 HB ILE A 53 0.226 20.683 -9.871 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.096 20.760 -7.986 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.522 21.217 -7.364 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.091 20.170 -10.604 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.018 18.760 -10.771 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.163 18.850 -9.412 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.754 23.177 -8.156 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.296 22.914 -9.143 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.894 22.451 -9.774 1.00 0.00 H new ATOM 627 N ASP A 54 2.060 20.812 -7.947 1.00 0.00 N ATOM 628 CA ASP A 54 3.409 21.373 -7.834 1.00 0.00 C ATOM 629 C ASP A 54 3.811 21.586 -6.371 1.00 0.00 C ATOM 630 O ASP A 54 4.930 21.256 -5.979 1.00 0.00 O ATOM 631 CB ASP A 54 3.509 22.701 -8.605 1.00 0.00 C ATOM 632 CG ASP A 54 2.226 23.513 -8.591 1.00 0.00 C ATOM 633 OD1 ASP A 54 1.516 23.502 -7.558 1.00 0.00 O ATOM 634 OD2 ASP A 54 1.930 24.159 -9.615 1.00 0.00 O ATOM 0 H ASP A 54 1.313 21.457 -7.687 1.00 0.00 H new ATOM 0 HA ASP A 54 4.099 20.652 -8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.312 23.300 -8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.784 22.491 -9.639 1.00 0.00 H new ATOM 639 N VAL A 55 2.893 22.153 -5.576 1.00 0.00 N ATOM 640 CA VAL A 55 3.139 22.430 -4.153 1.00 0.00 C ATOM 641 C VAL A 55 3.970 21.328 -3.484 1.00 0.00 C ATOM 642 O VAL A 55 4.931 21.616 -2.769 1.00 0.00 O ATOM 643 CB VAL A 55 1.818 22.612 -3.369 1.00 0.00 C ATOM 644 CG1 VAL A 55 2.098 23.022 -1.931 1.00 0.00 C ATOM 645 CG2 VAL A 55 0.921 23.639 -4.047 1.00 0.00 C ATOM 0 H VAL A 55 1.966 22.431 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 55 3.705 23.361 -4.124 1.00 0.00 H new ATOM 0 HB VAL A 55 1.298 21.654 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.155 23.145 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.694 22.251 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.646 23.964 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.001 23.749 -3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.436 24.598 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.685 23.305 -5.058 1.00 0.00 H new ATOM 655 N ILE A 56 3.602 20.069 -3.725 1.00 0.00 N ATOM 656 CA ILE A 56 4.326 18.937 -3.148 1.00 0.00 C ATOM 657 C ILE A 56 5.384 18.407 -4.117 1.00 0.00 C ATOM 658 O ILE A 56 5.116 18.216 -5.305 1.00 0.00 O ATOM 659 CB ILE A 56 3.376 17.780 -2.758 1.00 0.00 C ATOM 660 CG1 ILE A 56 2.743 17.153 -4.002 1.00 0.00 C ATOM 661 CG2 ILE A 56 2.297 18.269 -1.801 1.00 0.00 C ATOM 662 CD1 ILE A 56 3.266 15.766 -4.313 1.00 0.00 C ATOM 0 H ILE A 56 2.810 19.809 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 56 4.811 19.309 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 56 3.965 17.016 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.663 17.103 -3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.925 17.802 -4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.640 17.440 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.763 18.662 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.715 19.056 -2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.773 15.383 -5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.342 15.812 -4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.060 15.103 -3.473 1.00 0.00 H new ATOM 674 N ARG A 57 6.588 18.164 -3.605 1.00 0.00 N ATOM 675 CA ARG A 57 7.675 17.648 -4.431 1.00 0.00 C ATOM 676 C ARG A 57 7.421 16.184 -4.804 1.00 0.00 C ATOM 677 O ARG A 57 7.779 15.278 -4.055 1.00 0.00 O ATOM 678 CB ARG A 57 9.016 17.788 -3.700 1.00 0.00 C ATOM 679 CG ARG A 57 9.746 19.085 -4.011 1.00 0.00 C ATOM 680 CD ARG A 57 10.403 19.040 -5.381 1.00 0.00 C ATOM 681 NE ARG A 57 11.239 20.216 -5.626 1.00 0.00 N ATOM 682 CZ ARG A 57 11.997 20.386 -6.703 1.00 0.00 C ATOM 683 NH1 ARG A 57 12.034 19.464 -7.647 1.00 0.00 N ATOM 684 NH2 ARG A 57 12.718 21.481 -6.834 1.00 0.00 N ATOM 0 H ARG A 57 6.834 18.315 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 57 7.717 18.235 -5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.843 17.727 -2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.656 16.947 -3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.044 19.918 -3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.503 19.269 -3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.011 18.139 -5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.634 18.975 -6.150 1.00 0.00 H new ATOM 0 HE ARG A 57 11.239 20.954 -4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.478 18.614 -7.552 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.619 19.601 -8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.694 22.197 -6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.300 21.612 -7.661 1.00 0.00 H new ATOM 698 N SER A 58 6.793 15.973 -5.965 1.00 0.00 N ATOM 699 CA SER A 58 6.465 14.627 -6.470 1.00 0.00 C ATOM 700 C SER A 58 7.493 13.574 -6.041 1.00 0.00 C ATOM 701 O SER A 58 7.138 12.563 -5.433 1.00 0.00 O ATOM 702 CB SER A 58 6.360 14.652 -7.997 1.00 0.00 C ATOM 703 OG SER A 58 7.476 15.317 -8.573 1.00 0.00 O ATOM 0 H SER A 58 6.496 16.727 -6.584 1.00 0.00 H new ATOM 0 HA SER A 58 5.507 14.345 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.303 13.632 -8.378 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.440 15.155 -8.294 1.00 0.00 H new ATOM 0 HG SER A 58 7.388 15.319 -9.549 1.00 0.00 H new ATOM 709 N ILE A 59 8.765 13.821 -6.362 1.00 0.00 N ATOM 710 CA ILE A 59 9.855 12.898 -6.015 1.00 0.00 C ATOM 711 C ILE A 59 9.761 12.412 -4.563 1.00 0.00 C ATOM 712 O ILE A 59 10.094 11.262 -4.265 1.00 0.00 O ATOM 713 CB ILE A 59 11.244 13.541 -6.245 1.00 0.00 C ATOM 714 CG1 ILE A 59 11.318 14.931 -5.605 1.00 0.00 C ATOM 715 CG2 ILE A 59 11.550 13.627 -7.734 1.00 0.00 C ATOM 716 CD1 ILE A 59 12.734 15.438 -5.431 1.00 0.00 C ATOM 0 H ILE A 59 9.069 14.655 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 59 9.743 12.040 -6.678 1.00 0.00 H new ATOM 0 HB ILE A 59 11.993 12.908 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.760 15.637 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.828 14.901 -4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.530 14.081 -7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.547 12.626 -8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.792 14.236 -8.227 1.00 0.00 H new ATOM 0 HD11 ILE A 59 12.713 16.427 -4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.290 14.753 -4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.221 15.500 -6.404 1.00 0.00 H new ATOM 728 N PHE A 60 9.289 13.287 -3.668 1.00 0.00 N ATOM 729 CA PHE A 60 9.136 12.946 -2.252 1.00 0.00 C ATOM 730 C PHE A 60 8.372 11.631 -2.068 1.00 0.00 C ATOM 731 O PHE A 60 8.602 10.913 -1.096 1.00 0.00 O ATOM 732 CB PHE A 60 8.419 14.075 -1.502 1.00 0.00 C ATOM 733 CG PHE A 60 8.902 14.263 -0.093 1.00 0.00 C ATOM 734 CD1 PHE A 60 8.366 13.517 0.943 1.00 0.00 C ATOM 735 CD2 PHE A 60 9.893 15.187 0.195 1.00 0.00 C ATOM 736 CE1 PHE A 60 8.809 13.687 2.241 1.00 0.00 C ATOM 737 CE2 PHE A 60 10.340 15.363 1.490 1.00 0.00 C ATOM 738 CZ PHE A 60 9.797 14.612 2.515 1.00 0.00 C ATOM 0 H PHE A 60 9.006 14.239 -3.902 1.00 0.00 H new ATOM 0 HA PHE A 60 10.136 12.818 -1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.554 15.007 -2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.349 13.867 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.592 12.793 0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.321 15.777 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.383 13.098 3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 60 11.113 16.087 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 60 10.145 14.748 3.528 1.00 0.00 H new ATOM 748 N PHE A 61 7.476 11.314 -3.012 1.00 0.00 N ATOM 749 CA PHE A 61 6.699 10.073 -2.952 1.00 0.00 C ATOM 750 C PHE A 61 7.600 8.882 -2.612 1.00 0.00 C ATOM 751 O PHE A 61 7.225 8.027 -1.807 1.00 0.00 O ATOM 752 CB PHE A 61 5.980 9.829 -4.283 1.00 0.00 C ATOM 753 CG PHE A 61 4.749 8.975 -4.153 1.00 0.00 C ATOM 754 CD1 PHE A 61 4.850 7.637 -3.806 1.00 0.00 C ATOM 755 CD2 PHE A 61 3.492 9.513 -4.376 1.00 0.00 C ATOM 756 CE1 PHE A 61 3.721 6.853 -3.685 1.00 0.00 C ATOM 757 CE2 PHE A 61 2.358 8.732 -4.257 1.00 0.00 C ATOM 758 CZ PHE A 61 2.474 7.400 -3.910 1.00 0.00 C ATOM 0 H PHE A 61 7.273 11.899 -3.823 1.00 0.00 H new ATOM 0 HA PHE A 61 5.954 10.176 -2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.702 10.789 -4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.671 9.352 -4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.823 7.203 -3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.397 10.554 -4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.813 5.812 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.383 9.162 -4.435 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.590 6.787 -3.815 1.00 0.00 H new ATOM 768 N GLY A 62 8.795 8.848 -3.215 1.00 0.00 N ATOM 769 CA GLY A 62 9.744 7.773 -2.949 1.00 0.00 C ATOM 770 C GLY A 62 9.897 7.491 -1.466 1.00 0.00 C ATOM 771 O GLY A 62 9.920 6.335 -1.052 1.00 0.00 O ATOM 0 H GLY A 62 9.120 9.547 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.414 6.867 -3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.715 8.037 -3.368 1.00 0.00 H new ATOM 775 N LEU A 63 9.972 8.551 -0.660 1.00 0.00 N ATOM 776 CA LEU A 63 10.092 8.407 0.790 1.00 0.00 C ATOM 777 C LEU A 63 8.928 7.577 1.337 1.00 0.00 C ATOM 778 O LEU A 63 9.119 6.692 2.177 1.00 0.00 O ATOM 779 CB LEU A 63 10.123 9.785 1.466 1.00 0.00 C ATOM 780 CG LEU A 63 11.452 10.534 1.360 1.00 0.00 C ATOM 781 CD1 LEU A 63 11.469 11.428 0.131 1.00 0.00 C ATOM 782 CD2 LEU A 63 11.700 11.357 2.613 1.00 0.00 C ATOM 0 H LEU A 63 9.952 9.517 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 63 11.027 7.891 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.340 10.404 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.878 9.660 2.521 1.00 0.00 H new ATOM 0 HG LEU A 63 12.250 9.798 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.423 11.951 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.336 10.819 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.660 12.155 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.650 11.883 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.895 12.081 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.733 10.698 3.481 1.00 0.00 H new ATOM 794 N LEU A 64 7.724 7.850 0.823 1.00 0.00 N ATOM 795 CA LEU A 64 6.526 7.119 1.229 1.00 0.00 C ATOM 796 C LEU A 64 6.663 5.628 0.915 1.00 0.00 C ATOM 797 O LEU A 64 6.035 4.791 1.568 1.00 0.00 O ATOM 798 CB LEU A 64 5.290 7.693 0.525 1.00 0.00 C ATOM 799 CG LEU A 64 3.951 7.112 0.984 1.00 0.00 C ATOM 800 CD1 LEU A 64 3.477 7.800 2.255 1.00 0.00 C ATOM 801 CD2 LEU A 64 2.907 7.248 -0.114 1.00 0.00 C ATOM 0 H LEU A 64 7.557 8.574 0.124 1.00 0.00 H new ATOM 0 HA LEU A 64 6.407 7.233 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.272 8.772 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.392 7.526 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 64 4.092 6.053 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.523 7.373 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.214 7.654 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.353 8.866 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.961 6.830 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.771 8.302 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.240 6.710 -1.002 1.00 0.00 H new ATOM 813 N ILE A 65 7.498 5.295 -0.076 1.00 0.00 N ATOM 814 CA ILE A 65 7.715 3.903 -0.451 1.00 0.00 C ATOM 815 C ILE A 65 8.293 3.096 0.715 1.00 0.00 C ATOM 816 O ILE A 65 8.092 1.886 0.784 1.00 0.00 O ATOM 817 CB ILE A 65 8.627 3.776 -1.698 1.00 0.00 C ATOM 818 CG1 ILE A 65 8.058 2.733 -2.659 1.00 0.00 C ATOM 819 CG2 ILE A 65 10.058 3.417 -1.314 1.00 0.00 C ATOM 820 CD1 ILE A 65 6.901 3.247 -3.490 1.00 0.00 C ATOM 0 H ILE A 65 8.029 5.970 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 65 6.739 3.490 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 65 8.653 4.746 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.851 2.393 -3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.728 1.865 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.667 3.337 -2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.467 4.193 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.065 2.464 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.546 2.455 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.091 3.561 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.232 4.096 -4.088 1.00 0.00 H new ATOM 832 N THR A 66 8.995 3.763 1.642 1.00 0.00 N ATOM 833 CA THR A 66 9.565 3.070 2.801 1.00 0.00 C ATOM 834 C THR A 66 8.450 2.432 3.635 1.00 0.00 C ATOM 835 O THR A 66 8.364 1.203 3.723 1.00 0.00 O ATOM 836 CB THR A 66 10.414 4.025 3.654 1.00 0.00 C ATOM 837 OG1 THR A 66 11.702 4.185 3.089 1.00 0.00 O ATOM 838 CG2 THR A 66 10.606 3.560 5.084 1.00 0.00 C ATOM 0 H THR A 66 9.179 4.766 1.612 1.00 0.00 H new ATOM 0 HA THR A 66 10.223 2.279 2.441 1.00 0.00 H new ATOM 0 HB THR A 66 9.858 4.962 3.667 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.229 4.797 3.644 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.215 4.285 5.624 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.635 3.468 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.106 2.592 5.088 1.00 0.00 H new ATOM 846 N PRO A 67 7.558 3.248 4.244 1.00 0.00 N ATOM 847 CA PRO A 67 6.443 2.728 5.044 1.00 0.00 C ATOM 848 C PRO A 67 5.489 1.883 4.199 1.00 0.00 C ATOM 849 O PRO A 67 5.043 0.817 4.631 1.00 0.00 O ATOM 850 CB PRO A 67 5.743 3.990 5.567 1.00 0.00 C ATOM 851 CG PRO A 67 6.162 5.080 4.642 1.00 0.00 C ATOM 852 CD PRO A 67 7.549 4.724 4.184 1.00 0.00 C ATOM 0 HA PRO A 67 6.781 2.069 5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.660 3.868 5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.039 4.208 6.593 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.479 5.158 3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.154 6.046 5.148 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.745 5.087 3.175 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.310 5.158 4.832 1.00 0.00 H new ATOM 860 N TRP A 68 5.194 2.356 2.983 1.00 0.00 N ATOM 861 CA TRP A 68 4.309 1.635 2.066 1.00 0.00 C ATOM 862 C TRP A 68 4.859 0.240 1.772 1.00 0.00 C ATOM 863 O TRP A 68 4.133 -0.748 1.857 1.00 0.00 O ATOM 864 CB TRP A 68 4.135 2.420 0.760 1.00 0.00 C ATOM 865 CG TRP A 68 2.700 2.615 0.362 1.00 0.00 C ATOM 866 CD1 TRP A 68 2.027 1.953 -0.625 1.00 0.00 C ATOM 867 CD2 TRP A 68 1.767 3.535 0.938 1.00 0.00 C ATOM 868 NE1 TRP A 68 0.730 2.409 -0.696 1.00 0.00 N ATOM 869 CE2 TRP A 68 0.549 3.378 0.253 1.00 0.00 C ATOM 870 CE3 TRP A 68 1.842 4.477 1.970 1.00 0.00 C ATOM 871 CZ2 TRP A 68 -0.584 4.127 0.563 1.00 0.00 C ATOM 872 CZ3 TRP A 68 0.718 5.220 2.278 1.00 0.00 C ATOM 873 CH2 TRP A 68 -0.481 5.041 1.576 1.00 0.00 C ATOM 0 H TRP A 68 5.556 3.235 2.613 1.00 0.00 H new ATOM 0 HA TRP A 68 3.335 1.530 2.544 1.00 0.00 H new ATOM 0 HB2 TRP A 68 4.610 3.395 0.866 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.658 1.897 -0.041 1.00 0.00 H new ATOM 0 HD1 TRP A 68 2.450 1.185 -1.256 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.020 2.078 -1.349 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.762 4.621 2.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.510 3.991 0.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.765 5.950 3.072 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.342 5.637 1.840 1.00 0.00 H new ATOM 884 N ALA A 69 6.152 0.164 1.445 1.00 0.00 N ATOM 885 CA ALA A 69 6.801 -1.114 1.157 1.00 0.00 C ATOM 886 C ALA A 69 6.790 -2.017 2.388 1.00 0.00 C ATOM 887 O ALA A 69 6.383 -3.175 2.306 1.00 0.00 O ATOM 888 CB ALA A 69 8.226 -0.894 0.667 1.00 0.00 C ATOM 0 H ALA A 69 6.768 0.974 1.374 1.00 0.00 H new ATOM 0 HA ALA A 69 6.238 -1.610 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.692 -1.857 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.209 -0.294 -0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.798 -0.373 1.435 1.00 0.00 H new ATOM 894 N VAL A 70 7.226 -1.478 3.530 1.00 0.00 N ATOM 895 CA VAL A 70 7.251 -2.238 4.781 1.00 0.00 C ATOM 896 C VAL A 70 5.856 -2.776 5.106 1.00 0.00 C ATOM 897 O VAL A 70 5.685 -3.965 5.401 1.00 0.00 O ATOM 898 CB VAL A 70 7.760 -1.380 5.960 1.00 0.00 C ATOM 899 CG1 VAL A 70 7.591 -2.112 7.282 1.00 0.00 C ATOM 900 CG2 VAL A 70 9.218 -0.997 5.751 1.00 0.00 C ATOM 0 H VAL A 70 7.566 -0.520 3.613 1.00 0.00 H new ATOM 0 HA VAL A 70 7.941 -3.070 4.641 1.00 0.00 H new ATOM 0 HB VAL A 70 7.161 -0.470 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.958 -1.485 8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.536 -2.334 7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.158 -3.043 7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.560 -0.393 6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.825 -1.900 5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.315 -0.424 4.829 1.00 0.00 H new ATOM 910 N TYR A 71 4.858 -1.893 5.031 1.00 0.00 N ATOM 911 CA TYR A 71 3.473 -2.273 5.295 1.00 0.00 C ATOM 912 C TYR A 71 3.004 -3.309 4.278 1.00 0.00 C ATOM 913 O TYR A 71 2.573 -4.394 4.653 1.00 0.00 O ATOM 914 CB TYR A 71 2.561 -1.042 5.253 1.00 0.00 C ATOM 915 CG TYR A 71 2.315 -0.422 6.609 1.00 0.00 C ATOM 916 CD1 TYR A 71 3.247 0.435 7.180 1.00 0.00 C ATOM 917 CD2 TYR A 71 1.151 -0.691 7.316 1.00 0.00 C ATOM 918 CE1 TYR A 71 3.025 1.006 8.418 1.00 0.00 C ATOM 919 CE2 TYR A 71 0.923 -0.122 8.555 1.00 0.00 C ATOM 920 CZ TYR A 71 1.863 0.724 9.101 1.00 0.00 C ATOM 921 OH TYR A 71 1.641 1.293 10.333 1.00 0.00 O ATOM 0 H TYR A 71 4.985 -0.910 4.789 1.00 0.00 H new ATOM 0 HA TYR A 71 3.421 -2.711 6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.005 -0.294 4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.604 -1.324 4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.160 0.658 6.648 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.412 -1.355 6.892 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.759 1.671 8.848 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.012 -0.340 9.093 1.00 0.00 H new ATOM 0 HH TYR A 71 0.775 0.993 10.681 1.00 0.00 H new ATOM 931 N PHE A 72 3.108 -2.968 2.991 1.00 0.00 N ATOM 932 CA PHE A 72 2.704 -3.870 1.909 1.00 0.00 C ATOM 933 C PHE A 72 3.345 -5.249 2.078 1.00 0.00 C ATOM 934 O PHE A 72 2.642 -6.257 2.135 1.00 0.00 O ATOM 935 CB PHE A 72 3.081 -3.276 0.545 1.00 0.00 C ATOM 936 CG PHE A 72 1.955 -2.536 -0.122 1.00 0.00 C ATOM 937 CD1 PHE A 72 1.364 -1.443 0.490 1.00 0.00 C ATOM 938 CD2 PHE A 72 1.487 -2.936 -1.363 1.00 0.00 C ATOM 939 CE1 PHE A 72 0.328 -0.763 -0.120 1.00 0.00 C ATOM 940 CE2 PHE A 72 0.451 -2.261 -1.979 1.00 0.00 C ATOM 941 CZ PHE A 72 -0.129 -1.171 -1.357 1.00 0.00 C ATOM 0 H PHE A 72 3.470 -2.070 2.672 1.00 0.00 H new ATOM 0 HA PHE A 72 1.621 -3.987 1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.924 -2.597 0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.416 -4.079 -0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.718 -1.118 1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.937 -3.786 -1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.124 0.087 0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.094 -2.585 -2.946 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.937 -0.640 -1.838 1.00 0.00 H new ATOM 951 N LEU A 73 4.678 -5.284 2.177 1.00 0.00 N ATOM 952 CA LEU A 73 5.401 -6.543 2.363 1.00 0.00 C ATOM 953 C LEU A 73 4.823 -7.311 3.548 1.00 0.00 C ATOM 954 O LEU A 73 4.530 -8.505 3.445 1.00 0.00 O ATOM 955 CB LEU A 73 6.897 -6.284 2.578 1.00 0.00 C ATOM 956 CG LEU A 73 7.834 -7.104 1.688 1.00 0.00 C ATOM 957 CD1 LEU A 73 7.570 -8.590 1.860 1.00 0.00 C ATOM 958 CD2 LEU A 73 7.669 -6.698 0.234 1.00 0.00 C ATOM 0 H LEU A 73 5.275 -4.458 2.131 1.00 0.00 H new ATOM 0 HA LEU A 73 5.284 -7.143 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.094 -5.226 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.139 -6.490 3.621 1.00 0.00 H new ATOM 0 HG LEU A 73 8.862 -6.903 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.246 -9.156 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.736 -8.871 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.539 -8.811 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.342 -7.289 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.639 -6.872 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.908 -5.640 0.122 1.00 0.00 H new ATOM 970 N SER A 74 4.633 -6.604 4.665 1.00 0.00 N ATOM 971 CA SER A 74 4.055 -7.204 5.865 1.00 0.00 C ATOM 972 C SER A 74 2.676 -7.773 5.538 1.00 0.00 C ATOM 973 O SER A 74 2.379 -8.927 5.851 1.00 0.00 O ATOM 974 CB SER A 74 3.951 -6.168 6.991 1.00 0.00 C ATOM 975 OG SER A 74 5.205 -5.548 7.236 1.00 0.00 O ATOM 0 H SER A 74 4.871 -5.617 4.761 1.00 0.00 H new ATOM 0 HA SER A 74 4.705 -8.010 6.205 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.214 -5.411 6.725 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.597 -6.651 7.902 1.00 0.00 H new ATOM 0 HG SER A 74 5.292 -4.752 6.671 1.00 0.00 H new ATOM 981 N VAL A 75 1.853 -6.963 4.866 1.00 0.00 N ATOM 982 CA VAL A 75 0.520 -7.385 4.452 1.00 0.00 C ATOM 983 C VAL A 75 0.615 -8.669 3.633 1.00 0.00 C ATOM 984 O VAL A 75 -0.117 -9.620 3.883 1.00 0.00 O ATOM 985 CB VAL A 75 -0.199 -6.292 3.625 1.00 0.00 C ATOM 986 CG1 VAL A 75 -1.589 -6.752 3.211 1.00 0.00 C ATOM 987 CG2 VAL A 75 -0.286 -4.992 4.408 1.00 0.00 C ATOM 0 H VAL A 75 2.092 -6.008 4.598 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.066 -7.562 5.354 1.00 0.00 H new ATOM 0 HB VAL A 75 0.388 -6.114 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.074 -5.967 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.508 -7.654 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.182 -6.965 4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.795 -4.239 3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.844 -5.159 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.719 -4.645 4.650 1.00 0.00 H new ATOM 997 N VAL A 76 1.549 -8.699 2.675 1.00 0.00 N ATOM 998 CA VAL A 76 1.765 -9.885 1.841 1.00 0.00 C ATOM 999 C VAL A 76 2.059 -11.109 2.715 1.00 0.00 C ATOM 1000 O VAL A 76 1.513 -12.190 2.487 1.00 0.00 O ATOM 1001 CB VAL A 76 2.928 -9.684 0.840 1.00 0.00 C ATOM 1002 CG1 VAL A 76 3.101 -10.915 -0.039 1.00 0.00 C ATOM 1003 CG2 VAL A 76 2.698 -8.449 -0.019 1.00 0.00 C ATOM 0 H VAL A 76 2.166 -7.916 2.459 1.00 0.00 H new ATOM 0 HA VAL A 76 0.848 -10.047 1.274 1.00 0.00 H new ATOM 0 HB VAL A 76 3.843 -9.537 1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.924 -10.752 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.320 -11.781 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.183 -11.095 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.529 -8.329 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.770 -8.563 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.630 -7.569 0.620 1.00 0.00 H new ATOM 1013 N VAL A 77 2.907 -10.924 3.733 1.00 0.00 N ATOM 1014 CA VAL A 77 3.245 -12.014 4.653 1.00 0.00 C ATOM 1015 C VAL A 77 1.987 -12.532 5.352 1.00 0.00 C ATOM 1016 O VAL A 77 1.766 -13.744 5.439 1.00 0.00 O ATOM 1017 CB VAL A 77 4.275 -11.574 5.717 1.00 0.00 C ATOM 1018 CG1 VAL A 77 4.644 -12.742 6.620 1.00 0.00 C ATOM 1019 CG2 VAL A 77 5.521 -10.993 5.061 1.00 0.00 C ATOM 0 H VAL A 77 3.368 -10.038 3.939 1.00 0.00 H new ATOM 0 HA VAL A 77 3.690 -12.809 4.056 1.00 0.00 H new ATOM 0 HB VAL A 77 3.818 -10.795 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.370 -12.412 7.363 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.750 -13.108 7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.076 -13.543 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.230 -10.691 5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.980 -11.746 4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.246 -10.126 4.461 1.00 0.00 H new ATOM 1029 N GLU A 78 1.157 -11.603 5.826 1.00 0.00 N ATOM 1030 CA GLU A 78 -0.096 -11.953 6.495 1.00 0.00 C ATOM 1031 C GLU A 78 -1.253 -12.077 5.488 1.00 0.00 C ATOM 1032 O GLU A 78 -2.420 -12.124 5.879 1.00 0.00 O ATOM 1033 CB GLU A 78 -0.437 -10.900 7.555 1.00 0.00 C ATOM 1034 CG GLU A 78 0.355 -11.050 8.847 1.00 0.00 C ATOM 1035 CD GLU A 78 1.664 -10.285 8.828 1.00 0.00 C ATOM 1036 OE1 GLU A 78 1.654 -9.082 9.169 1.00 0.00 O ATOM 1037 OE2 GLU A 78 2.698 -10.890 8.479 1.00 0.00 O ATOM 0 H GLU A 78 1.330 -10.600 5.759 1.00 0.00 H new ATOM 0 HA GLU A 78 0.039 -12.922 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.254 -9.908 7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.501 -10.959 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.252 -10.701 9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.560 -12.106 9.021 1.00 0.00 H new ATOM 1044 N GLN A 79 -0.930 -12.125 4.195 1.00 0.00 N ATOM 1045 CA GLN A 79 -1.945 -12.237 3.151 1.00 0.00 C ATOM 1046 C GLN A 79 -1.853 -13.591 2.449 1.00 0.00 C ATOM 1047 O GLN A 79 -0.814 -13.944 1.892 1.00 0.00 O ATOM 1048 CB GLN A 79 -1.787 -11.097 2.135 1.00 0.00 C ATOM 1049 CG GLN A 79 -2.670 -9.890 2.429 1.00 0.00 C ATOM 1050 CD GLN A 79 -3.732 -9.661 1.371 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -3.590 -8.795 0.511 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -4.807 -10.438 1.430 1.00 0.00 N ATOM 0 H GLN A 79 0.028 -12.088 3.847 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.928 -12.160 3.616 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.745 -10.779 2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.021 -11.474 1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.153 -10.027 3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.045 -9.000 2.507 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.885 -11.145 2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.554 -10.328 0.745 1.00 0.00 H new ATOM 1061 N LEU A 80 -2.947 -14.348 2.486 1.00 0.00 N ATOM 1062 CA LEU A 80 -2.986 -15.665 1.851 1.00 0.00 C ATOM 1063 C LEU A 80 -2.866 -15.544 0.329 1.00 0.00 C ATOM 1064 O LEU A 80 -3.544 -14.722 -0.297 1.00 0.00 O ATOM 1065 CB LEU A 80 -4.272 -16.406 2.231 1.00 0.00 C ATOM 1066 CG LEU A 80 -5.568 -15.780 1.710 1.00 0.00 C ATOM 1067 CD1 LEU A 80 -6.068 -16.536 0.490 1.00 0.00 C ATOM 1068 CD2 LEU A 80 -6.627 -15.764 2.798 1.00 0.00 C ATOM 0 H LEU A 80 -3.815 -14.075 2.946 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.134 -16.240 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.206 -17.428 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.329 -16.467 3.318 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.361 -14.750 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.990 -16.079 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.314 -16.497 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.259 -17.575 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.541 -15.315 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.832 -16.785 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.269 -15.180 3.646 1.00 0.00 H new ATOM 1080 N GLU A 81 -1.998 -16.366 -0.255 1.00 0.00 N ATOM 1081 CA GLU A 81 -1.775 -16.358 -1.702 1.00 0.00 C ATOM 1082 C GLU A 81 -2.186 -17.689 -2.337 1.00 0.00 C ATOM 1083 O GLU A 81 -2.464 -18.665 -1.636 1.00 0.00 O ATOM 1084 CB GLU A 81 -0.302 -16.044 -2.028 1.00 0.00 C ATOM 1085 CG GLU A 81 0.710 -16.615 -1.035 1.00 0.00 C ATOM 1086 CD GLU A 81 1.287 -17.947 -1.468 1.00 0.00 C ATOM 1087 OE1 GLU A 81 0.520 -18.930 -1.563 1.00 0.00 O ATOM 1088 OE2 GLU A 81 2.509 -18.012 -1.710 1.00 0.00 O ATOM 0 H GLU A 81 -1.435 -17.049 0.252 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.401 -15.573 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.074 -16.431 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.177 -14.962 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.522 -15.900 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.229 -16.733 -0.064 1.00 0.00 H new ATOM 1095 N GLU A 82 -2.235 -17.718 -3.668 1.00 0.00 N ATOM 1096 CA GLU A 82 -2.623 -18.927 -4.398 1.00 0.00 C ATOM 1097 C GLU A 82 -1.393 -19.707 -4.884 1.00 0.00 C ATOM 1098 O GLU A 82 -1.281 -20.045 -6.066 1.00 0.00 O ATOM 1099 CB GLU A 82 -3.527 -18.556 -5.582 1.00 0.00 C ATOM 1100 CG GLU A 82 -4.811 -17.843 -5.173 1.00 0.00 C ATOM 1101 CD GLU A 82 -5.917 -17.971 -6.204 1.00 0.00 C ATOM 1102 OE1 GLU A 82 -6.540 -19.051 -6.275 1.00 0.00 O ATOM 1103 OE2 GLU A 82 -6.163 -16.987 -6.934 1.00 0.00 O ATOM 0 H GLU A 82 -2.012 -16.920 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.175 -19.574 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.970 -17.917 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.784 -19.463 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.159 -18.250 -4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.597 -16.787 -5.008 1.00 0.00 H new ATOM 1110 N SER A 83 -0.471 -19.992 -3.964 1.00 0.00 N ATOM 1111 CA SER A 83 0.750 -20.735 -4.297 1.00 0.00 C ATOM 1112 C SER A 83 1.015 -21.850 -3.284 1.00 0.00 C ATOM 1113 O SER A 83 1.101 -23.024 -3.648 1.00 0.00 O ATOM 1114 CB SER A 83 1.953 -19.788 -4.351 1.00 0.00 C ATOM 1115 OG SER A 83 3.018 -20.353 -5.108 1.00 0.00 O ATOM 0 H SER A 83 -0.544 -19.721 -2.983 1.00 0.00 H new ATOM 0 HA SER A 83 0.605 -21.189 -5.277 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.652 -18.838 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.296 -19.573 -3.339 1.00 0.00 H new ATOM 0 HG SER A 83 3.810 -19.781 -5.036 1.00 0.00 H new ATOM 1121 N ARG A 84 1.161 -21.468 -2.015 1.00 0.00 N ATOM 1122 CA ARG A 84 1.433 -22.427 -0.940 1.00 0.00 C ATOM 1123 C ARG A 84 1.208 -21.812 0.451 1.00 0.00 C ATOM 1124 O ARG A 84 1.855 -22.213 1.423 1.00 0.00 O ATOM 1125 CB ARG A 84 2.876 -22.936 -1.060 1.00 0.00 C ATOM 1126 CG ARG A 84 3.916 -21.822 -1.058 1.00 0.00 C ATOM 1127 CD ARG A 84 4.314 -21.426 -2.472 1.00 0.00 C ATOM 1128 NE ARG A 84 5.322 -22.336 -3.023 1.00 0.00 N ATOM 1129 CZ ARG A 84 5.427 -22.662 -4.308 1.00 0.00 C ATOM 1130 NH1 ARG A 84 4.644 -22.114 -5.220 1.00 0.00 N ATOM 1131 NH2 ARG A 84 6.338 -23.536 -4.685 1.00 0.00 N ATOM 0 H ARG A 84 1.095 -20.499 -1.704 1.00 0.00 H new ATOM 0 HA ARG A 84 0.734 -23.257 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.083 -23.617 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.974 -23.512 -1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.518 -20.953 -0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.799 -22.149 -0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.432 -21.428 -3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 84 4.704 -20.408 -2.469 1.00 0.00 H new ATOM 0 HE ARG A 84 5.992 -22.749 -2.374 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.943 -21.427 -4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.741 -22.378 -6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.957 -23.958 -3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.424 -23.791 -5.669 1.00 0.00 H new ATOM 1145 N GLN A 85 0.294 -20.838 0.539 1.00 0.00 N ATOM 1146 CA GLN A 85 -0.010 -20.165 1.806 1.00 0.00 C ATOM 1147 C GLN A 85 1.179 -19.323 2.284 1.00 0.00 C ATOM 1148 O GLN A 85 2.281 -19.403 1.731 1.00 0.00 O ATOM 1149 CB GLN A 85 -0.393 -21.186 2.888 1.00 0.00 C ATOM 1150 CG GLN A 85 -1.339 -22.281 2.408 1.00 0.00 C ATOM 1151 CD GLN A 85 -0.726 -23.669 2.483 1.00 0.00 C ATOM 1152 OE1 GLN A 85 -0.684 -24.395 1.491 1.00 0.00 O ATOM 1153 NE2 GLN A 85 -0.247 -24.049 3.659 1.00 0.00 N ATOM 0 H GLN A 85 -0.249 -20.498 -0.255 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.857 -19.502 1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.516 -21.649 3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.859 -20.659 3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.248 -22.258 3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.633 -22.075 1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.300 -23.419 4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.175 -24.972 3.764 1.00 0.00 H new ATOM 1162 N ARG A 86 0.950 -18.517 3.316 1.00 0.00 N ATOM 1163 CA ARG A 86 2.004 -17.669 3.867 1.00 0.00 C ATOM 1164 C ARG A 86 2.067 -17.809 5.395 1.00 0.00 C ATOM 1165 O ARG A 86 2.579 -18.809 5.904 1.00 0.00 O ATOM 1166 CB ARG A 86 1.786 -16.213 3.441 1.00 0.00 C ATOM 1167 CG ARG A 86 1.954 -15.984 1.945 1.00 0.00 C ATOM 1168 CD ARG A 86 3.418 -15.961 1.535 1.00 0.00 C ATOM 1169 NE ARG A 86 4.196 -15.006 2.339 1.00 0.00 N ATOM 1170 CZ ARG A 86 5.147 -15.340 3.211 1.00 0.00 C ATOM 1171 NH1 ARG A 86 5.499 -16.602 3.387 1.00 0.00 N ATOM 1172 NH2 ARG A 86 5.757 -14.398 3.909 1.00 0.00 N ATOM 0 H ARG A 86 0.049 -18.432 3.786 1.00 0.00 H new ATOM 0 HA ARG A 86 2.966 -17.994 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.784 -15.903 3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.489 -15.577 3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.436 -16.771 1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.485 -15.040 1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.842 -16.959 1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.496 -15.696 0.480 1.00 0.00 H new ATOM 0 HE ARG A 86 3.992 -14.014 2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.041 -17.339 2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.229 -16.839 4.059 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.499 -13.420 3.779 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.485 -14.649 4.577 1.00 0.00 H new ATOM 1186 N LEU A 87 1.551 -16.819 6.129 1.00 0.00 N ATOM 1187 CA LEU A 87 1.562 -16.873 7.590 1.00 0.00 C ATOM 1188 C LEU A 87 0.283 -17.526 8.116 1.00 0.00 C ATOM 1189 O LEU A 87 -0.712 -16.846 8.374 1.00 0.00 O ATOM 1190 CB LEU A 87 1.727 -15.465 8.178 1.00 0.00 C ATOM 1191 CG LEU A 87 2.986 -15.254 9.023 1.00 0.00 C ATOM 1192 CD1 LEU A 87 3.020 -13.843 9.584 1.00 0.00 C ATOM 1193 CD2 LEU A 87 3.053 -16.273 10.150 1.00 0.00 C ATOM 0 H LEU A 87 1.125 -15.979 5.738 1.00 0.00 H new ATOM 0 HA LEU A 87 2.411 -17.481 7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.734 -14.745 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.855 -15.241 8.792 1.00 0.00 H new ATOM 0 HG LEU A 87 3.856 -15.393 8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.922 -13.711 10.182 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.020 -13.125 8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.143 -13.679 10.210 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.955 -16.106 10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.177 -16.166 10.790 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.075 -17.279 9.730 1.00 0.00 H new ATOM 1205 N SER A 88 0.316 -18.855 8.263 1.00 0.00 N ATOM 1206 CA SER A 88 -0.839 -19.626 8.753 1.00 0.00 C ATOM 1207 C SER A 88 -1.870 -19.867 7.644 1.00 0.00 C ATOM 1208 O SER A 88 -2.300 -21.002 7.430 1.00 0.00 O ATOM 1209 CB SER A 88 -1.500 -18.927 9.947 1.00 0.00 C ATOM 1210 OG SER A 88 -1.851 -19.864 10.954 1.00 0.00 O ATOM 0 H SER A 88 1.134 -19.425 8.049 1.00 0.00 H new ATOM 0 HA SER A 88 -0.463 -20.595 9.080 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.819 -18.182 10.359 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.391 -18.395 9.614 1.00 0.00 H new ATOM 0 HG SER A 88 -2.269 -19.395 11.706 1.00 0.00 H new ATOM 1216 N ARG A 89 -2.259 -18.801 6.941 1.00 0.00 N ATOM 1217 CA ARG A 89 -3.234 -18.907 5.852 1.00 0.00 C ATOM 1218 C ARG A 89 -2.559 -18.767 4.481 1.00 0.00 C ATOM 1219 O ARG A 89 -3.139 -19.251 3.486 1.00 0.00 O ATOM 1220 CB ARG A 89 -4.324 -17.841 6.015 1.00 0.00 C ATOM 1221 CG ARG A 89 -5.566 -18.097 5.172 1.00 0.00 C ATOM 1222 CD ARG A 89 -6.749 -18.533 6.026 1.00 0.00 C ATOM 1223 NE ARG A 89 -8.006 -18.538 5.264 1.00 0.00 N ATOM 1224 CZ ARG A 89 -8.337 -19.461 4.362 1.00 0.00 C ATOM 1225 NH1 ARG A 89 -7.514 -20.454 4.087 1.00 0.00 N ATOM 1226 NH2 ARG A 89 -9.493 -19.383 3.735 1.00 0.00 N ATOM 0 H ARG A 89 -1.914 -17.855 7.106 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.688 -19.897 5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.613 -17.788 7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.910 -16.868 5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.827 -17.191 4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.350 -18.866 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.562 -19.531 6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.846 -17.863 6.880 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.670 -17.783 5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.616 -20.520 4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.775 -21.156 3.395 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.134 -18.616 3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -9.747 -20.089 3.044 1.00 0.00 H new TER 1240 ARG A 89