USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 849 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 28 THR OG1 : rot 160:sc= 0.431 USER MOD Set 1.2: A 55 GLN : amide:sc= -0.345 K(o=0.087,f=1.2) USER MOD Set 1.3: A 59 GLN : amide:sc= 0 K(o=0.087,f=1.2) USER MOD Set 2.1: A 34 SER OG : rot 90:sc= 0.591 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -172:sc= 1.07 (180deg=-0.491) USER MOD Set 3.1: A 14 MET CE :methyl 151:sc= -0.128 (180deg=-0.304) USER MOD Set 3.2: A 31 GLN : amide:sc= -0.0272 X(o=-0.16,f=-0.34) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 169:sc= -6.1! USER MOD Single : A 8 SER OG : rot -39:sc= 0.963 USER MOD Single : A 9 SER OG : rot -105:sc= -3.36! USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 110:sc= -0.161 USER MOD Single : A 20 ASN : amide:sc= -0.0988 X(o=-0.099,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -154:sc= 1.09 (180deg=0.381) USER MOD Single : A 37 GLN : amide:sc= -4.02! C(o=-4!,f=-2.3!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -0.873 K(o=-0.87,f=-1.5) USER MOD Single : A 41 ASN : amide:sc= -0.422 K(o=-0.42,f=-5.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.305 X(o=-0.31,f=0) USER MOD Single : A 46 SER OG : rot -100:sc= -0.133 USER MOD Single : A 54 MET CE :methyl 155:sc= -4.31! (180deg=-5.16!) USER MOD Single : A 58 GLN : amide:sc= -1.17 K(o=-1.2,f=-4.7!) USER MOD Single : A 63 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.3!) USER MOD Single : A 64 CYS SG : rot -139:sc= 0.274 USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0945) USER MOD Single : A 72 TYR OH : rot -152:sc= 0.673 USER MOD Single : A 73 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.047) USER MOD Single : A 74 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.1) USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 78 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.67) USER MOD Single : A 80 HIS : no HE2:sc= -8.17! C(o=-8.2!,f=-8.2!) USER MOD Single : A 81 GLN : amide:sc= -0.7 X(o=-0.7,f=-0.21) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -2.16! K(o=-2.2!,f=-0.3) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -2 K(o=-2,f=-0.62) USER MOD Single : A 106 MET CE :methyl -113:sc= -15.3! (180deg=-23.1!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 12.139 9.635 4.294 1.00 0.00 N ATOM 47 CA THR A 4 11.893 10.113 2.938 1.00 0.00 C ATOM 48 C THR A 4 10.829 9.268 2.240 1.00 0.00 C ATOM 49 O THR A 4 10.782 8.050 2.407 1.00 0.00 O ATOM 50 CB THR A 4 13.197 10.090 2.132 1.00 0.00 C ATOM 51 OG1 THR A 4 14.082 11.100 2.584 1.00 0.00 O ATOM 52 CG2 THR A 4 12.999 10.289 0.643 1.00 0.00 C ATOM 0 HA THR A 4 11.524 11.137 2.999 1.00 0.00 H new ATOM 0 HB THR A 4 13.610 9.094 2.292 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.909 11.069 2.059 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.966 10.260 0.140 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.363 9.495 0.251 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.526 11.255 0.465 1.00 0.00 H new ATOM 60 N VAL A 5 9.983 9.926 1.451 1.00 0.00 N ATOM 61 CA VAL A 5 8.928 9.235 0.718 1.00 0.00 C ATOM 62 C VAL A 5 9.440 8.770 -0.644 1.00 0.00 C ATOM 63 O VAL A 5 10.432 9.290 -1.152 1.00 0.00 O ATOM 64 CB VAL A 5 7.689 10.138 0.527 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.682 9.492 -0.414 1.00 0.00 C ATOM 66 CG2 VAL A 5 7.038 10.445 1.868 1.00 0.00 C ATOM 0 H VAL A 5 10.008 10.935 1.304 1.00 0.00 H new ATOM 0 HA VAL A 5 8.633 8.367 1.308 1.00 0.00 H new ATOM 0 HB VAL A 5 8.022 11.074 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.820 10.149 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.146 9.327 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.357 8.537 0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.167 11.082 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.727 9.515 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.753 10.959 2.511 1.00 0.00 H new ATOM 76 N ILE A 6 8.770 7.777 -1.225 1.00 0.00 N ATOM 77 CA ILE A 6 9.177 7.239 -2.515 1.00 0.00 C ATOM 78 C ILE A 6 8.158 7.540 -3.603 1.00 0.00 C ATOM 79 O ILE A 6 8.476 8.180 -4.606 1.00 0.00 O ATOM 80 CB ILE A 6 9.370 5.715 -2.449 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.869 5.300 -1.059 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.325 5.266 -3.541 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.793 4.098 -1.055 1.00 0.00 C ATOM 0 H ILE A 6 7.946 7.332 -0.822 1.00 0.00 H new ATOM 0 HA ILE A 6 10.122 7.725 -2.760 1.00 0.00 H new ATOM 0 HB ILE A 6 8.412 5.223 -2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.390 6.144 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.007 5.082 -0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.457 4.185 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.916 5.534 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.289 5.756 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.096 3.876 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.272 3.237 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.676 4.316 -1.656 1.00 0.00 H new ATOM 95 N CYS A 7 6.940 7.051 -3.414 1.00 0.00 N ATOM 96 CA CYS A 7 5.885 7.241 -4.396 1.00 0.00 C ATOM 97 C CYS A 7 4.609 7.785 -3.759 1.00 0.00 C ATOM 98 O CYS A 7 4.536 7.965 -2.544 1.00 0.00 O ATOM 99 CB CYS A 7 5.598 5.914 -5.092 1.00 0.00 C ATOM 100 SG CYS A 7 5.292 4.542 -3.961 1.00 0.00 S ATOM 0 H CYS A 7 6.660 6.520 -2.589 1.00 0.00 H new ATOM 0 HA CYS A 7 6.226 7.977 -5.124 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.731 6.036 -5.741 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.443 5.662 -5.733 1.00 0.00 H new ATOM 0 HG CYS A 7 4.822 3.528 -4.626 1.00 0.00 H new ATOM 106 N SER A 8 3.608 8.041 -4.600 1.00 0.00 N ATOM 107 CA SER A 8 2.325 8.566 -4.139 1.00 0.00 C ATOM 108 C SER A 8 1.223 8.262 -5.153 1.00 0.00 C ATOM 109 O SER A 8 1.211 8.820 -6.250 1.00 0.00 O ATOM 110 CB SER A 8 2.427 10.079 -3.908 1.00 0.00 C ATOM 111 OG SER A 8 1.779 10.810 -4.936 1.00 0.00 O ATOM 0 H SER A 8 3.662 7.892 -5.608 1.00 0.00 H new ATOM 0 HA SER A 8 2.071 8.079 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.982 10.331 -2.946 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.476 10.370 -3.860 1.00 0.00 H new ATOM 0 HG SER A 8 1.941 10.374 -5.799 1.00 0.00 H new ATOM 117 N SER A 9 0.304 7.371 -4.790 1.00 0.00 N ATOM 118 CA SER A 9 -0.786 7.003 -5.689 1.00 0.00 C ATOM 119 C SER A 9 -2.149 7.111 -5.016 1.00 0.00 C ATOM 120 O SER A 9 -2.253 7.161 -3.791 1.00 0.00 O ATOM 121 CB SER A 9 -0.584 5.580 -6.198 1.00 0.00 C ATOM 122 OG SER A 9 0.332 5.552 -7.272 1.00 0.00 O ATOM 0 H SER A 9 0.292 6.894 -3.888 1.00 0.00 H new ATOM 0 HA SER A 9 -0.768 7.706 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.219 4.949 -5.388 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.540 5.166 -6.520 1.00 0.00 H new ATOM 0 HG SER A 9 -0.154 5.423 -8.113 1.00 0.00 H new ATOM 128 N ARG A 10 -3.195 7.128 -5.840 1.00 0.00 N ATOM 129 CA ARG A 10 -4.567 7.207 -5.351 1.00 0.00 C ATOM 130 C ARG A 10 -5.246 5.847 -5.493 1.00 0.00 C ATOM 131 O ARG A 10 -5.238 5.248 -6.571 1.00 0.00 O ATOM 132 CB ARG A 10 -5.350 8.270 -6.125 1.00 0.00 C ATOM 133 CG ARG A 10 -6.806 8.382 -5.705 1.00 0.00 C ATOM 134 CD ARG A 10 -7.536 9.449 -6.506 1.00 0.00 C ATOM 135 NE ARG A 10 -8.987 9.288 -6.438 1.00 0.00 N ATOM 136 CZ ARG A 10 -9.737 9.725 -5.429 1.00 0.00 C ATOM 137 NH1 ARG A 10 -9.179 10.350 -4.399 1.00 0.00 N ATOM 138 NH2 ARG A 10 -11.049 9.538 -5.449 1.00 0.00 N ATOM 0 H ARG A 10 -3.115 7.088 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.549 7.489 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.866 9.237 -5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.305 8.039 -7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.300 7.420 -5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.862 8.621 -4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.263 10.435 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.215 9.404 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.453 8.812 -7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.170 10.498 -4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.759 10.682 -3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.484 9.059 -6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.624 9.873 -4.676 1.00 0.00 H new ATOM 152 N ALA A 11 -5.826 5.359 -4.402 1.00 0.00 N ATOM 153 CA ALA A 11 -6.492 4.064 -4.415 1.00 0.00 C ATOM 154 C ALA A 11 -7.283 3.843 -3.133 1.00 0.00 C ATOM 155 O ALA A 11 -7.332 4.711 -2.266 1.00 0.00 O ATOM 156 CB ALA A 11 -5.467 2.950 -4.603 1.00 0.00 C ATOM 0 H ALA A 11 -5.848 5.839 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.192 4.048 -5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.975 1.986 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.944 3.093 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.749 2.975 -3.784 1.00 0.00 H new ATOM 162 N THR A 12 -7.893 2.672 -3.019 1.00 0.00 N ATOM 163 CA THR A 12 -8.677 2.334 -1.840 1.00 0.00 C ATOM 164 C THR A 12 -8.032 1.179 -1.089 1.00 0.00 C ATOM 165 O THR A 12 -8.334 0.014 -1.348 1.00 0.00 O ATOM 166 CB THR A 12 -10.107 1.964 -2.240 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.631 2.909 -3.156 1.00 0.00 O ATOM 168 CG2 THR A 12 -11.056 1.889 -1.064 1.00 0.00 C ATOM 0 H THR A 12 -7.860 1.940 -3.729 1.00 0.00 H new ATOM 0 HA THR A 12 -8.709 3.205 -1.186 1.00 0.00 H new ATOM 0 HB THR A 12 -10.035 0.974 -2.691 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.545 2.655 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.052 1.622 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.706 1.133 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.095 2.858 -0.565 1.00 0.00 H new ATOM 176 N VAL A 13 -7.135 1.507 -0.161 1.00 0.00 N ATOM 177 CA VAL A 13 -6.443 0.492 0.623 1.00 0.00 C ATOM 178 C VAL A 13 -7.414 -0.564 1.130 1.00 0.00 C ATOM 179 O VAL A 13 -8.517 -0.252 1.579 1.00 0.00 O ATOM 180 CB VAL A 13 -5.677 1.114 1.809 1.00 0.00 C ATOM 181 CG1 VAL A 13 -4.991 0.040 2.644 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.660 2.129 1.305 1.00 0.00 C ATOM 0 H VAL A 13 -6.872 2.466 0.064 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.719 0.016 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.397 1.625 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.459 0.508 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.739 -0.649 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.283 -0.508 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.126 2.561 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.950 1.634 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.175 2.920 0.759 1.00 0.00 H new ATOM 192 N MET A 14 -6.993 -1.815 1.039 1.00 0.00 N ATOM 193 CA MET A 14 -7.814 -2.934 1.469 1.00 0.00 C ATOM 194 C MET A 14 -6.985 -3.941 2.262 1.00 0.00 C ATOM 195 O MET A 14 -5.757 -3.948 2.184 1.00 0.00 O ATOM 196 CB MET A 14 -8.454 -3.613 0.251 1.00 0.00 C ATOM 197 CG MET A 14 -9.747 -4.335 0.581 1.00 0.00 C ATOM 198 SD MET A 14 -11.099 -3.890 -0.529 1.00 0.00 S ATOM 199 CE MET A 14 -12.450 -3.723 0.635 1.00 0.00 C ATOM 0 H MET A 14 -6.081 -2.082 0.668 1.00 0.00 H new ATOM 0 HA MET A 14 -8.602 -2.555 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.650 -2.862 -0.515 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.746 -4.325 -0.174 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.580 -5.411 0.530 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.035 -4.105 1.607 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.170 -2.997 0.256 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.941 -4.688 0.764 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.063 -3.382 1.595 1.00 0.00 H new ATOM 209 N LEU A 15 -7.666 -4.789 3.026 1.00 0.00 N ATOM 210 CA LEU A 15 -6.996 -5.802 3.835 1.00 0.00 C ATOM 211 C LEU A 15 -7.687 -7.152 3.682 1.00 0.00 C ATOM 212 O LEU A 15 -8.811 -7.336 4.143 1.00 0.00 O ATOM 213 CB LEU A 15 -6.984 -5.387 5.311 1.00 0.00 C ATOM 214 CG LEU A 15 -5.649 -4.846 5.831 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.682 -4.706 7.345 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.503 -5.749 5.406 1.00 0.00 C ATOM 0 H LEU A 15 -8.683 -4.795 3.102 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.968 -5.892 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.749 -4.626 5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.268 -6.249 5.915 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.488 -3.859 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.725 -4.320 7.696 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.477 -4.017 7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.868 -5.681 7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.563 -5.347 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.659 -6.749 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.463 -5.799 4.318 1.00 0.00 H new ATOM 228 N TYR A 16 -7.016 -8.093 3.027 1.00 0.00 N ATOM 229 CA TYR A 16 -7.586 -9.417 2.815 1.00 0.00 C ATOM 230 C TYR A 16 -7.591 -10.239 4.097 1.00 0.00 C ATOM 231 O TYR A 16 -6.698 -10.114 4.936 1.00 0.00 O ATOM 232 CB TYR A 16 -6.818 -10.171 1.729 1.00 0.00 C ATOM 233 CG TYR A 16 -7.628 -11.275 1.092 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.435 -11.022 -0.009 1.00 0.00 C ATOM 235 CD2 TYR A 16 -7.594 -12.566 1.600 1.00 0.00 C ATOM 236 CE1 TYR A 16 -9.186 -12.026 -0.589 1.00 0.00 C ATOM 237 CE2 TYR A 16 -8.339 -13.578 1.028 1.00 0.00 C ATOM 238 CZ TYR A 16 -9.134 -13.303 -0.068 1.00 0.00 C ATOM 239 OH TYR A 16 -9.879 -14.307 -0.641 1.00 0.00 O ATOM 0 H TYR A 16 -6.083 -7.964 2.636 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.618 -9.273 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.504 -9.467 0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.912 -10.596 2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.476 -10.024 -0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.974 -12.783 2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.810 -11.813 -1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.301 -14.578 1.435 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.283 -14.939 -1.094 1.00 0.00 H new ATOM 249 N ASP A 17 -8.604 -11.087 4.233 1.00 0.00 N ATOM 250 CA ASP A 17 -8.738 -11.946 5.401 1.00 0.00 C ATOM 251 C ASP A 17 -8.721 -13.414 4.985 1.00 0.00 C ATOM 252 O ASP A 17 -9.767 -14.012 4.736 1.00 0.00 O ATOM 253 CB ASP A 17 -10.033 -11.626 6.153 1.00 0.00 C ATOM 254 CG ASP A 17 -9.797 -11.367 7.627 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.414 -10.231 7.977 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.994 -12.300 8.433 1.00 0.00 O ATOM 0 H ASP A 17 -9.348 -11.197 3.544 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.894 -11.760 6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.504 -10.751 5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.730 -12.456 6.040 1.00 0.00 H new ATOM 261 N ASP A 18 -7.523 -13.988 4.907 1.00 0.00 N ATOM 262 CA ASP A 18 -7.364 -15.386 4.517 1.00 0.00 C ATOM 263 C ASP A 18 -8.223 -16.303 5.383 1.00 0.00 C ATOM 264 O ASP A 18 -8.564 -17.414 4.979 1.00 0.00 O ATOM 265 CB ASP A 18 -5.895 -15.799 4.620 1.00 0.00 C ATOM 266 CG ASP A 18 -5.342 -15.616 6.020 1.00 0.00 C ATOM 267 OD1 ASP A 18 -5.743 -16.383 6.922 1.00 0.00 O ATOM 268 OD2 ASP A 18 -4.506 -14.709 6.216 1.00 0.00 O ATOM 0 H ASP A 18 -6.647 -13.506 5.109 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.695 -15.485 3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.792 -16.843 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.304 -15.210 3.919 1.00 0.00 H new ATOM 273 N GLY A 19 -8.567 -15.831 6.577 1.00 0.00 N ATOM 274 CA GLY A 19 -9.383 -16.621 7.482 1.00 0.00 C ATOM 275 C GLY A 19 -10.705 -17.032 6.864 1.00 0.00 C ATOM 276 O GLY A 19 -11.198 -18.132 7.112 1.00 0.00 O ATOM 0 H GLY A 19 -8.295 -14.915 6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.831 -17.513 7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.573 -16.048 8.389 1.00 0.00 H new ATOM 280 N ASN A 20 -11.279 -16.146 6.058 1.00 0.00 N ATOM 281 CA ASN A 20 -12.551 -16.422 5.400 1.00 0.00 C ATOM 282 C ASN A 20 -12.504 -16.043 3.921 1.00 0.00 C ATOM 283 O ASN A 20 -13.538 -15.970 3.259 1.00 0.00 O ATOM 284 CB ASN A 20 -13.681 -15.660 6.096 1.00 0.00 C ATOM 285 CG ASN A 20 -14.080 -16.293 7.415 1.00 0.00 C ATOM 286 OD1 ASN A 20 -15.106 -16.967 7.508 1.00 0.00 O ATOM 287 ND2 ASN A 20 -13.268 -16.078 8.444 1.00 0.00 N ATOM 0 H ASN A 20 -10.884 -15.230 5.844 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.739 -17.493 5.471 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.368 -14.631 6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.549 -15.622 5.438 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.485 -16.478 9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.428 -15.513 8.321 1.00 0.00 H new ATOM 294 N LYS A 21 -11.298 -15.803 3.406 1.00 0.00 N ATOM 295 CA LYS A 21 -11.124 -15.434 2.004 1.00 0.00 C ATOM 296 C LYS A 21 -12.039 -14.272 1.626 1.00 0.00 C ATOM 297 O LYS A 21 -13.152 -14.480 1.142 1.00 0.00 O ATOM 298 CB LYS A 21 -11.403 -16.638 1.099 1.00 0.00 C ATOM 299 CG LYS A 21 -10.173 -17.141 0.361 1.00 0.00 C ATOM 300 CD LYS A 21 -9.748 -18.516 0.854 1.00 0.00 C ATOM 301 CE LYS A 21 -9.024 -18.433 2.190 1.00 0.00 C ATOM 302 NZ LYS A 21 -9.754 -19.162 3.263 1.00 0.00 N ATOM 0 H LYS A 21 -10.430 -15.858 3.939 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.091 -15.116 1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.812 -17.449 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.167 -16.366 0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.382 -17.186 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.353 -16.436 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.626 -19.155 0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.097 -18.983 0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.022 -18.848 2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.908 -17.388 2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.516 -18.749 4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.778 -19.083 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.478 -20.165 3.251 1.00 0.00 H new ATOM 316 N ARG A 22 -11.565 -13.050 1.852 1.00 0.00 N ATOM 317 CA ARG A 22 -12.348 -11.859 1.538 1.00 0.00 C ATOM 318 C ARG A 22 -11.607 -10.589 1.946 1.00 0.00 C ATOM 319 O ARG A 22 -10.898 -10.568 2.953 1.00 0.00 O ATOM 320 CB ARG A 22 -13.700 -11.915 2.253 1.00 0.00 C ATOM 321 CG ARG A 22 -13.593 -12.322 3.715 1.00 0.00 C ATOM 322 CD ARG A 22 -14.217 -11.283 4.633 1.00 0.00 C ATOM 323 NE ARG A 22 -14.238 -11.725 6.026 1.00 0.00 N ATOM 324 CZ ARG A 22 -14.956 -11.136 6.980 1.00 0.00 C ATOM 325 NH1 ARG A 22 -15.713 -10.082 6.697 1.00 0.00 N ATOM 326 NH2 ARG A 22 -14.919 -11.601 8.221 1.00 0.00 N ATOM 0 H ARG A 22 -10.646 -12.859 2.250 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.505 -11.836 0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.177 -10.937 2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.349 -12.620 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.087 -13.282 3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.544 -12.459 3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.658 -10.350 4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.235 -11.073 4.304 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.669 -12.532 6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.747 -9.719 5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.261 -9.635 7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.340 -12.410 8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.469 -11.149 8.951 1.00 0.00 H new ATOM 340 N TRP A 23 -11.786 -9.527 1.166 1.00 0.00 N ATOM 341 CA TRP A 23 -11.146 -8.250 1.457 1.00 0.00 C ATOM 342 C TRP A 23 -11.748 -7.635 2.719 1.00 0.00 C ATOM 343 O TRP A 23 -12.789 -8.084 3.199 1.00 0.00 O ATOM 344 CB TRP A 23 -11.315 -7.285 0.281 1.00 0.00 C ATOM 345 CG TRP A 23 -10.310 -7.478 -0.820 1.00 0.00 C ATOM 346 CD1 TRP A 23 -10.584 -7.727 -2.131 1.00 0.00 C ATOM 347 CD2 TRP A 23 -8.880 -7.430 -0.715 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.419 -7.850 -2.846 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.359 -7.671 -2.001 1.00 0.00 C ATOM 350 CE3 TRP A 23 -7.988 -7.211 0.337 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -6.991 -7.697 -2.260 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.630 -7.236 0.079 1.00 0.00 C ATOM 353 CH2 TRP A 23 -6.144 -7.478 -1.210 1.00 0.00 C ATOM 0 H TRP A 23 -12.368 -9.526 0.329 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.082 -8.427 1.617 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.317 -7.404 -0.131 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.241 -6.262 0.651 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.576 -7.815 -2.548 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -9.354 -8.044 -3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.353 -7.025 1.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.613 -7.883 -3.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.933 -7.066 0.886 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -5.077 -7.492 -1.379 1.00 0.00 H new ATOM 364 N LEU A 24 -11.093 -6.610 3.250 1.00 0.00 N ATOM 365 CA LEU A 24 -11.575 -5.940 4.454 1.00 0.00 C ATOM 366 C LEU A 24 -10.940 -4.556 4.593 1.00 0.00 C ATOM 367 O LEU A 24 -9.726 -4.409 4.466 1.00 0.00 O ATOM 368 CB LEU A 24 -11.273 -6.788 5.694 1.00 0.00 C ATOM 369 CG LEU A 24 -12.479 -7.514 6.292 1.00 0.00 C ATOM 370 CD1 LEU A 24 -12.067 -8.314 7.518 1.00 0.00 C ATOM 371 CD2 LEU A 24 -13.579 -6.525 6.644 1.00 0.00 C ATOM 0 H LEU A 24 -10.229 -6.225 2.868 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.655 -5.817 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.516 -7.527 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.840 -6.144 6.459 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.867 -8.206 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.938 -8.824 7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.315 -9.051 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.652 -7.642 8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.428 -7.061 7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.203 -5.807 7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.896 -5.997 5.744 1.00 0.00 H new ATOM 383 N PRO A 25 -11.755 -3.517 4.853 1.00 0.00 N ATOM 384 CA PRO A 25 -11.263 -2.144 5.002 1.00 0.00 C ATOM 385 C PRO A 25 -10.026 -2.048 5.891 1.00 0.00 C ATOM 386 O PRO A 25 -10.135 -1.928 7.111 1.00 0.00 O ATOM 387 CB PRO A 25 -12.443 -1.422 5.651 1.00 0.00 C ATOM 388 CG PRO A 25 -13.643 -2.159 5.168 1.00 0.00 C ATOM 389 CD PRO A 25 -13.221 -3.597 5.017 1.00 0.00 C ATOM 0 HA PRO A 25 -10.950 -1.721 4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.374 -1.446 6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.477 -0.373 5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.467 -2.067 5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.992 -1.754 4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.494 -4.188 5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.695 -4.065 4.154 1.00 0.00 H new ATOM 397 N ALA A 26 -8.849 -2.096 5.268 1.00 0.00 N ATOM 398 CA ALA A 26 -7.581 -2.008 5.990 1.00 0.00 C ATOM 399 C ALA A 26 -7.621 -0.937 7.075 1.00 0.00 C ATOM 400 O ALA A 26 -7.553 -1.241 8.267 1.00 0.00 O ATOM 401 CB ALA A 26 -6.451 -1.719 5.014 1.00 0.00 C ATOM 0 H ALA A 26 -8.748 -2.196 4.258 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.407 -2.967 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.508 -1.654 5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.392 -2.521 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.642 -0.774 4.506 1.00 0.00 H new ATOM 407 N GLY A 27 -7.724 0.315 6.648 1.00 0.00 N ATOM 408 CA GLY A 27 -7.766 1.435 7.576 1.00 0.00 C ATOM 409 C GLY A 27 -8.669 1.189 8.773 1.00 0.00 C ATOM 410 O GLY A 27 -8.246 0.592 9.763 1.00 0.00 O ATOM 0 H GLY A 27 -7.780 0.579 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.756 1.644 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.110 2.324 7.047 1.00 0.00 H new ATOM 414 N THR A 28 -9.910 1.657 8.688 1.00 0.00 N ATOM 415 CA THR A 28 -10.864 1.487 9.780 1.00 0.00 C ATOM 416 C THR A 28 -12.197 0.938 9.273 1.00 0.00 C ATOM 417 O THR A 28 -12.431 -0.269 9.305 1.00 0.00 O ATOM 418 CB THR A 28 -11.080 2.817 10.506 1.00 0.00 C ATOM 419 OG1 THR A 28 -11.589 3.797 9.618 1.00 0.00 O ATOM 420 CG2 THR A 28 -9.815 3.374 11.124 1.00 0.00 C ATOM 0 H THR A 28 -10.278 2.155 7.878 1.00 0.00 H new ATOM 0 HA THR A 28 -10.448 0.763 10.480 1.00 0.00 H new ATOM 0 HB THR A 28 -11.790 2.598 11.303 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.016 4.514 10.132 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.038 4.317 11.623 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.422 2.663 11.851 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.073 3.543 10.344 1.00 0.00 H new ATOM 428 N GLY A 29 -13.067 1.830 8.811 1.00 0.00 N ATOM 429 CA GLY A 29 -14.365 1.410 8.311 1.00 0.00 C ATOM 430 C GLY A 29 -14.717 2.053 6.984 1.00 0.00 C ATOM 431 O GLY A 29 -14.426 1.493 5.926 1.00 0.00 O ATOM 0 H GLY A 29 -12.898 2.835 8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.373 0.326 8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.131 1.660 9.045 1.00 0.00 H new ATOM 435 N PRO A 30 -15.348 3.241 7.004 1.00 0.00 N ATOM 436 CA PRO A 30 -15.733 3.952 5.781 1.00 0.00 C ATOM 437 C PRO A 30 -14.605 3.992 4.756 1.00 0.00 C ATOM 438 O PRO A 30 -13.443 3.770 5.094 1.00 0.00 O ATOM 439 CB PRO A 30 -16.053 5.358 6.284 1.00 0.00 C ATOM 440 CG PRO A 30 -16.508 5.160 7.689 1.00 0.00 C ATOM 441 CD PRO A 30 -15.732 3.984 8.220 1.00 0.00 C ATOM 0 HA PRO A 30 -16.563 3.468 5.267 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.176 6.004 6.239 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.828 5.829 5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -16.322 6.052 8.288 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.580 4.968 7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.858 4.304 8.787 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.339 3.373 8.888 1.00 0.00 H new ATOM 449 N GLN A 31 -14.950 4.272 3.503 1.00 0.00 N ATOM 450 CA GLN A 31 -13.955 4.333 2.441 1.00 0.00 C ATOM 451 C GLN A 31 -14.185 5.529 1.525 1.00 0.00 C ATOM 452 O GLN A 31 -15.228 6.181 1.578 1.00 0.00 O ATOM 453 CB GLN A 31 -13.966 3.042 1.621 1.00 0.00 C ATOM 454 CG GLN A 31 -13.001 1.986 2.138 1.00 0.00 C ATOM 455 CD GLN A 31 -13.659 0.634 2.332 1.00 0.00 C ATOM 456 OE1 GLN A 31 -14.733 0.534 2.927 1.00 0.00 O ATOM 457 NE2 GLN A 31 -13.017 -0.414 1.831 1.00 0.00 N ATOM 0 H GLN A 31 -15.906 4.459 3.200 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.980 4.450 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.975 2.631 1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.716 3.276 0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.172 1.884 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.579 2.319 3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.129 -0.284 1.345 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.411 -1.349 1.931 1.00 0.00 H new ATOM 466 N ALA A 32 -13.192 5.803 0.687 1.00 0.00 N ATOM 467 CA ALA A 32 -13.240 6.912 -0.260 1.00 0.00 C ATOM 468 C ALA A 32 -11.851 7.154 -0.835 1.00 0.00 C ATOM 469 O ALA A 32 -11.386 8.290 -0.922 1.00 0.00 O ATOM 470 CB ALA A 32 -13.769 8.176 0.409 1.00 0.00 C ATOM 0 H ALA A 32 -12.329 5.261 0.645 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.922 6.652 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.795 8.988 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.775 7.994 0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.115 8.450 1.237 1.00 0.00 H new ATOM 476 N PHE A 33 -11.188 6.065 -1.206 1.00 0.00 N ATOM 477 CA PHE A 33 -9.840 6.137 -1.754 1.00 0.00 C ATOM 478 C PHE A 33 -8.881 6.716 -0.723 1.00 0.00 C ATOM 479 O PHE A 33 -9.266 6.982 0.416 1.00 0.00 O ATOM 480 CB PHE A 33 -9.806 6.986 -3.024 1.00 0.00 C ATOM 481 CG PHE A 33 -10.305 6.263 -4.239 1.00 0.00 C ATOM 482 CD1 PHE A 33 -11.656 6.237 -4.544 1.00 0.00 C ATOM 483 CD2 PHE A 33 -9.420 5.605 -5.074 1.00 0.00 C ATOM 484 CE1 PHE A 33 -12.113 5.568 -5.663 1.00 0.00 C ATOM 485 CE2 PHE A 33 -9.869 4.934 -6.193 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.218 4.915 -6.489 1.00 0.00 C ATOM 0 H PHE A 33 -11.564 5.119 -1.137 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.528 5.124 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.409 7.881 -2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.783 7.318 -3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.359 6.745 -3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.364 5.617 -4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -13.168 5.555 -5.892 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.167 4.425 -6.836 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.573 4.391 -7.364 1.00 0.00 H new ATOM 496 N SER A 34 -7.634 6.904 -1.125 1.00 0.00 N ATOM 497 CA SER A 34 -6.626 7.449 -0.229 1.00 0.00 C ATOM 498 C SER A 34 -5.321 7.703 -0.972 1.00 0.00 C ATOM 499 O SER A 34 -5.115 7.206 -2.079 1.00 0.00 O ATOM 500 CB SER A 34 -6.383 6.488 0.940 1.00 0.00 C ATOM 501 OG SER A 34 -7.027 5.245 0.727 1.00 0.00 O ATOM 0 H SER A 34 -7.296 6.688 -2.063 1.00 0.00 H new ATOM 0 HA SER A 34 -6.993 8.399 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.312 6.328 1.066 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.749 6.936 1.864 1.00 0.00 H new ATOM 0 HG SER A 34 -6.419 4.638 0.256 1.00 0.00 H new ATOM 507 N ARG A 35 -4.442 8.471 -0.347 1.00 0.00 N ATOM 508 CA ARG A 35 -3.147 8.789 -0.935 1.00 0.00 C ATOM 509 C ARG A 35 -2.044 8.042 -0.198 1.00 0.00 C ATOM 510 O ARG A 35 -1.551 8.501 0.832 1.00 0.00 O ATOM 511 CB ARG A 35 -2.893 10.296 -0.880 1.00 0.00 C ATOM 512 CG ARG A 35 -1.608 10.722 -1.573 1.00 0.00 C ATOM 513 CD ARG A 35 -0.596 11.276 -0.581 1.00 0.00 C ATOM 514 NE ARG A 35 -0.567 12.737 -0.588 1.00 0.00 N ATOM 515 CZ ARG A 35 -0.079 13.473 0.407 1.00 0.00 C ATOM 516 NH1 ARG A 35 0.419 12.891 1.491 1.00 0.00 N ATOM 517 NH2 ARG A 35 -0.089 14.796 0.319 1.00 0.00 N ATOM 0 H ARG A 35 -4.601 8.887 0.570 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.149 8.476 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.734 10.815 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.856 10.612 0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.176 9.869 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.833 11.478 -2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.840 10.923 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.395 10.892 -0.822 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.943 13.221 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.429 11.874 1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.792 13.461 2.250 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.471 15.249 -0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.285 15.361 1.082 1.00 0.00 H new ATOM 531 N VAL A 36 -1.674 6.877 -0.719 1.00 0.00 N ATOM 532 CA VAL A 36 -0.644 6.060 -0.092 1.00 0.00 C ATOM 533 C VAL A 36 0.734 6.333 -0.680 1.00 0.00 C ATOM 534 O VAL A 36 0.944 6.237 -1.889 1.00 0.00 O ATOM 535 CB VAL A 36 -0.959 4.558 -0.214 1.00 0.00 C ATOM 536 CG1 VAL A 36 0.054 3.737 0.567 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.369 4.267 0.271 1.00 0.00 C ATOM 0 H VAL A 36 -2.071 6.479 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.636 6.337 0.962 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.893 4.277 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.184 2.678 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.053 3.922 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.020 4.022 1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.573 3.200 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.463 4.564 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.084 4.828 -0.331 1.00 0.00 H new ATOM 547 N GLN A 37 1.669 6.660 0.202 1.00 0.00 N ATOM 548 CA GLN A 37 3.041 6.938 -0.189 1.00 0.00 C ATOM 549 C GLN A 37 3.982 5.945 0.481 1.00 0.00 C ATOM 550 O GLN A 37 3.657 5.389 1.530 1.00 0.00 O ATOM 551 CB GLN A 37 3.416 8.368 0.197 1.00 0.00 C ATOM 552 CG GLN A 37 2.751 9.421 -0.669 1.00 0.00 C ATOM 553 CD GLN A 37 3.386 10.790 -0.522 1.00 0.00 C ATOM 554 OE1 GLN A 37 3.133 11.504 0.449 1.00 0.00 O ATOM 555 NE2 GLN A 37 4.218 11.162 -1.487 1.00 0.00 N ATOM 0 H GLN A 37 1.497 6.739 1.204 1.00 0.00 H new ATOM 0 HA GLN A 37 3.132 6.834 -1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.142 8.539 1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.498 8.483 0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.803 9.112 -1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.695 9.486 -0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.398 10.538 -2.273 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.677 12.072 -1.442 1.00 0.00 H new ATOM 564 N ILE A 38 5.143 5.720 -0.119 1.00 0.00 N ATOM 565 CA ILE A 38 6.108 4.790 0.441 1.00 0.00 C ATOM 566 C ILE A 38 7.255 5.551 1.087 1.00 0.00 C ATOM 567 O ILE A 38 7.595 6.647 0.657 1.00 0.00 O ATOM 568 CB ILE A 38 6.643 3.830 -0.644 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.506 2.959 -1.172 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.763 2.948 -0.098 1.00 0.00 C ATOM 571 CD1 ILE A 38 5.939 2.018 -2.269 1.00 0.00 C ATOM 0 H ILE A 38 5.436 6.167 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 38 5.607 4.193 1.203 1.00 0.00 H new ATOM 0 HB ILE A 38 7.050 4.430 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.088 2.379 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.709 3.601 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.119 2.283 -0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.585 3.575 0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.386 2.355 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.085 1.428 -2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.330 2.593 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.716 1.352 -1.892 1.00 0.00 H new ATOM 583 N TYR A 39 7.844 4.973 2.127 1.00 0.00 N ATOM 584 CA TYR A 39 8.947 5.622 2.822 1.00 0.00 C ATOM 585 C TYR A 39 10.237 4.827 2.679 1.00 0.00 C ATOM 586 O TYR A 39 10.288 3.636 2.992 1.00 0.00 O ATOM 587 CB TYR A 39 8.607 5.812 4.299 1.00 0.00 C ATOM 588 CG TYR A 39 7.773 7.044 4.562 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.458 7.121 4.122 1.00 0.00 C ATOM 590 CD2 TYR A 39 8.304 8.134 5.239 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.694 8.249 4.351 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.547 9.265 5.474 1.00 0.00 C ATOM 593 CZ TYR A 39 6.243 9.318 5.029 1.00 0.00 C ATOM 594 OH TYR A 39 5.485 10.444 5.260 1.00 0.00 O ATOM 0 H TYR A 39 7.579 4.063 2.505 1.00 0.00 H new ATOM 0 HA TYR A 39 9.100 6.599 2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 39 8.070 4.934 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.531 5.877 4.873 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.026 6.285 3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.326 8.097 5.587 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.673 8.294 4.001 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.974 10.104 6.004 1.00 0.00 H new ATOM 0 HH TYR A 39 6.019 11.103 5.750 1.00 0.00 H new ATOM 604 N HIS A 40 11.280 5.502 2.207 1.00 0.00 N ATOM 605 CA HIS A 40 12.581 4.879 2.023 1.00 0.00 C ATOM 606 C HIS A 40 13.451 5.103 3.257 1.00 0.00 C ATOM 607 O HIS A 40 14.053 6.165 3.419 1.00 0.00 O ATOM 608 CB HIS A 40 13.264 5.443 0.766 1.00 0.00 C ATOM 609 CG HIS A 40 14.747 5.233 0.726 1.00 0.00 C ATOM 610 ND1 HIS A 40 15.628 6.175 0.236 1.00 0.00 N ATOM 611 CD2 HIS A 40 15.504 4.181 1.119 1.00 0.00 C ATOM 612 CE1 HIS A 40 16.862 5.710 0.329 1.00 0.00 C ATOM 613 NE2 HIS A 40 16.813 4.502 0.861 1.00 0.00 N ATOM 0 H HIS A 40 11.246 6.487 1.944 1.00 0.00 H new ATOM 0 HA HIS A 40 12.445 3.806 1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.819 4.980 -0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.058 6.511 0.703 1.00 0.00 H new ATOM 0 HD1 HIS A 40 15.368 7.087 -0.139 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.144 3.260 1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 40 17.758 6.229 0.022 1.00 0.00 H new ATOM 622 N ASN A 41 13.502 4.099 4.125 1.00 0.00 N ATOM 623 CA ASN A 41 14.291 4.180 5.351 1.00 0.00 C ATOM 624 C ASN A 41 15.594 3.401 5.212 1.00 0.00 C ATOM 625 O ASN A 41 15.651 2.214 5.535 1.00 0.00 O ATOM 626 CB ASN A 41 13.492 3.631 6.532 1.00 0.00 C ATOM 627 CG ASN A 41 12.114 4.252 6.642 1.00 0.00 C ATOM 628 OD1 ASN A 41 11.758 5.141 5.867 1.00 0.00 O ATOM 629 ND2 ASN A 41 11.330 3.787 7.607 1.00 0.00 N ATOM 0 H ASN A 41 13.005 3.217 4.003 1.00 0.00 H new ATOM 0 HA ASN A 41 14.527 5.229 5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.392 2.551 6.428 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.043 3.813 7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.391 4.167 7.729 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.666 3.050 8.226 1.00 0.00 H new ATOM 636 N PRO A 42 16.664 4.056 4.734 1.00 0.00 N ATOM 637 CA PRO A 42 17.964 3.407 4.564 1.00 0.00 C ATOM 638 C PRO A 42 18.687 3.196 5.889 1.00 0.00 C ATOM 639 O PRO A 42 19.578 2.352 5.991 1.00 0.00 O ATOM 640 CB PRO A 42 18.732 4.393 3.694 1.00 0.00 C ATOM 641 CG PRO A 42 18.157 5.720 4.043 1.00 0.00 C ATOM 642 CD PRO A 42 16.699 5.472 4.323 1.00 0.00 C ATOM 0 HA PRO A 42 17.870 2.411 4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.802 4.356 3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.605 4.171 2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.656 6.146 4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.283 6.429 3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.324 6.128 5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.085 5.649 3.440 1.00 0.00 H new ATOM 650 N THR A 43 18.299 3.960 6.908 1.00 0.00 N ATOM 651 CA THR A 43 18.911 3.843 8.229 1.00 0.00 C ATOM 652 C THR A 43 18.977 2.382 8.662 1.00 0.00 C ATOM 653 O THR A 43 19.889 1.973 9.379 1.00 0.00 O ATOM 654 CB THR A 43 18.123 4.658 9.256 1.00 0.00 C ATOM 655 OG1 THR A 43 18.670 4.493 10.553 1.00 0.00 O ATOM 656 CG2 THR A 43 16.659 4.281 9.323 1.00 0.00 C ATOM 0 H THR A 43 17.565 4.665 6.844 1.00 0.00 H new ATOM 0 HA THR A 43 19.926 4.236 8.171 1.00 0.00 H new ATOM 0 HB THR A 43 18.199 5.693 8.924 1.00 0.00 H new ATOM 0 HG1 THR A 43 18.154 5.023 11.196 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.159 4.897 10.071 1.00 0.00 H new ATOM 0 HG22 THR A 43 16.196 4.444 8.350 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.566 3.230 9.597 1.00 0.00 H new ATOM 664 N ALA A 44 18.001 1.602 8.209 1.00 0.00 N ATOM 665 CA ALA A 44 17.939 0.183 8.532 1.00 0.00 C ATOM 666 C ALA A 44 17.718 -0.661 7.277 1.00 0.00 C ATOM 667 O ALA A 44 17.504 -1.870 7.364 1.00 0.00 O ATOM 668 CB ALA A 44 16.834 -0.078 9.545 1.00 0.00 C ATOM 0 H ALA A 44 17.240 1.931 7.615 1.00 0.00 H new ATOM 0 HA ALA A 44 18.895 -0.106 8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.798 -1.142 9.778 1.00 0.00 H new ATOM 0 HB2 ALA A 44 17.035 0.486 10.456 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.877 0.235 9.128 1.00 0.00 H new ATOM 674 N ASN A 45 17.762 -0.016 6.111 1.00 0.00 N ATOM 675 CA ASN A 45 17.559 -0.712 4.848 1.00 0.00 C ATOM 676 C ASN A 45 16.163 -1.316 4.805 1.00 0.00 C ATOM 677 O ASN A 45 15.989 -2.490 4.478 1.00 0.00 O ATOM 678 CB ASN A 45 18.615 -1.804 4.661 1.00 0.00 C ATOM 679 CG ASN A 45 19.149 -1.857 3.242 1.00 0.00 C ATOM 680 OD1 ASN A 45 20.349 -2.027 3.025 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.258 -1.711 2.267 1.00 0.00 N ATOM 0 H ASN A 45 17.936 0.985 6.019 1.00 0.00 H new ATOM 0 HA ASN A 45 17.659 0.006 4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.441 -1.629 5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.183 -2.771 4.920 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.559 -1.738 1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.273 -1.572 2.493 1.00 0.00 H new ATOM 688 N SER A 46 15.171 -0.505 5.153 1.00 0.00 N ATOM 689 CA SER A 46 13.785 -0.964 5.171 1.00 0.00 C ATOM 690 C SER A 46 12.867 -0.012 4.410 1.00 0.00 C ATOM 691 O SER A 46 13.309 1.003 3.873 1.00 0.00 O ATOM 692 CB SER A 46 13.297 -1.113 6.613 1.00 0.00 C ATOM 693 OG SER A 46 11.957 -1.572 6.652 1.00 0.00 O ATOM 0 H SER A 46 15.298 0.470 5.426 1.00 0.00 H new ATOM 0 HA SER A 46 13.752 -1.933 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.940 -1.812 7.148 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.372 -0.154 7.127 1.00 0.00 H new ATOM 0 HG SER A 46 11.356 -0.814 6.812 1.00 0.00 H new ATOM 699 N PHE A 47 11.583 -0.359 4.370 1.00 0.00 N ATOM 700 CA PHE A 47 10.583 0.450 3.680 1.00 0.00 C ATOM 701 C PHE A 47 9.224 0.312 4.357 1.00 0.00 C ATOM 702 O PHE A 47 9.021 -0.580 5.181 1.00 0.00 O ATOM 703 CB PHE A 47 10.481 0.021 2.216 1.00 0.00 C ATOM 704 CG PHE A 47 11.674 0.408 1.393 1.00 0.00 C ATOM 705 CD1 PHE A 47 11.772 1.677 0.850 1.00 0.00 C ATOM 706 CD2 PHE A 47 12.697 -0.496 1.166 1.00 0.00 C ATOM 707 CE1 PHE A 47 12.870 2.038 0.092 1.00 0.00 C ATOM 708 CE2 PHE A 47 13.798 -0.142 0.409 1.00 0.00 C ATOM 709 CZ PHE A 47 13.884 1.127 -0.129 1.00 0.00 C ATOM 0 H PHE A 47 11.210 -1.200 4.810 1.00 0.00 H new ATOM 0 HA PHE A 47 10.891 1.495 3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.354 -1.061 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.588 0.465 1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.982 2.393 1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.634 -1.489 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.935 3.031 -0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.590 -0.857 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.743 1.406 -0.721 1.00 0.00 H new ATOM 719 N ARG A 48 8.292 1.196 4.011 1.00 0.00 N ATOM 720 CA ARG A 48 6.957 1.150 4.600 1.00 0.00 C ATOM 721 C ARG A 48 5.940 1.906 3.745 1.00 0.00 C ATOM 722 O ARG A 48 6.286 2.849 3.034 1.00 0.00 O ATOM 723 CB ARG A 48 6.988 1.715 6.029 1.00 0.00 C ATOM 724 CG ARG A 48 6.666 3.201 6.128 1.00 0.00 C ATOM 725 CD ARG A 48 7.496 3.883 7.205 1.00 0.00 C ATOM 726 NE ARG A 48 6.663 4.415 8.280 1.00 0.00 N ATOM 727 CZ ARG A 48 7.118 4.709 9.495 1.00 0.00 C ATOM 728 NH1 ARG A 48 8.398 4.528 9.795 1.00 0.00 N ATOM 729 NH2 ARG A 48 6.291 5.187 10.415 1.00 0.00 N ATOM 0 H ARG A 48 8.434 1.945 3.333 1.00 0.00 H new ATOM 0 HA ARG A 48 6.643 0.107 4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.277 1.160 6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.977 1.541 6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.853 3.679 5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.606 3.330 6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.210 3.171 7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.074 4.692 6.759 1.00 0.00 H new ATOM 0 HE ARG A 48 5.673 4.570 8.088 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.040 4.161 9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.740 4.756 10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.306 5.329 10.191 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.640 5.412 11.347 1.00 0.00 H new ATOM 743 N VAL A 49 4.680 1.488 3.835 1.00 0.00 N ATOM 744 CA VAL A 49 3.605 2.124 3.087 1.00 0.00 C ATOM 745 C VAL A 49 2.726 2.950 4.017 1.00 0.00 C ATOM 746 O VAL A 49 2.266 2.458 5.048 1.00 0.00 O ATOM 747 CB VAL A 49 2.731 1.085 2.359 1.00 0.00 C ATOM 748 CG1 VAL A 49 3.472 0.504 1.163 1.00 0.00 C ATOM 749 CG2 VAL A 49 2.303 -0.017 3.319 1.00 0.00 C ATOM 0 H VAL A 49 4.380 0.709 4.421 1.00 0.00 H new ATOM 0 HA VAL A 49 4.068 2.773 2.344 1.00 0.00 H new ATOM 0 HB VAL A 49 1.835 1.585 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.838 -0.228 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.722 1.304 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.387 0.019 1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.686 -0.742 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.186 -0.515 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.729 0.417 4.138 1.00 0.00 H new ATOM 759 N VAL A 50 2.500 4.207 3.656 1.00 0.00 N ATOM 760 CA VAL A 50 1.680 5.096 4.471 1.00 0.00 C ATOM 761 C VAL A 50 0.657 5.830 3.616 1.00 0.00 C ATOM 762 O VAL A 50 1.018 6.585 2.713 1.00 0.00 O ATOM 763 CB VAL A 50 2.537 6.131 5.228 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.789 6.653 6.444 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.875 5.531 5.638 1.00 0.00 C ATOM 0 H VAL A 50 2.871 4.633 2.807 1.00 0.00 H new ATOM 0 HA VAL A 50 1.165 4.468 5.198 1.00 0.00 H new ATOM 0 HB VAL A 50 2.733 6.968 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.408 7.382 6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.861 7.127 6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.561 5.824 7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.462 6.280 6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.705 4.673 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.417 5.210 4.749 1.00 0.00 H new ATOM 775 N GLY A 51 -0.621 5.603 3.899 1.00 0.00 N ATOM 776 CA GLY A 51 -1.670 6.252 3.136 1.00 0.00 C ATOM 777 C GLY A 51 -2.817 6.736 3.997 1.00 0.00 C ATOM 778 O GLY A 51 -3.152 6.120 5.008 1.00 0.00 O ATOM 0 H GLY A 51 -0.948 4.984 4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.247 7.099 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.052 5.556 2.390 1.00 0.00 H new ATOM 782 N ARG A 52 -3.422 7.844 3.584 1.00 0.00 N ATOM 783 CA ARG A 52 -4.547 8.423 4.308 1.00 0.00 C ATOM 784 C ARG A 52 -5.716 8.679 3.363 1.00 0.00 C ATOM 785 O ARG A 52 -5.531 8.795 2.152 1.00 0.00 O ATOM 786 CB ARG A 52 -4.128 9.730 4.986 1.00 0.00 C ATOM 787 CG ARG A 52 -3.302 10.640 4.093 1.00 0.00 C ATOM 788 CD ARG A 52 -3.004 11.968 4.770 1.00 0.00 C ATOM 789 NE ARG A 52 -1.811 11.898 5.611 1.00 0.00 N ATOM 790 CZ ARG A 52 -1.113 12.963 6.000 1.00 0.00 C ATOM 791 NH1 ARG A 52 -1.486 14.182 5.628 1.00 0.00 N ATOM 792 NH2 ARG A 52 -0.041 12.810 6.763 1.00 0.00 N ATOM 0 H ARG A 52 -3.150 8.361 2.748 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.864 7.714 5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.021 10.265 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.554 9.497 5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.366 10.145 3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.837 10.818 3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.868 12.739 4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.859 12.265 5.377 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.494 10.978 5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.311 14.306 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.947 14.994 5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.250 11.876 7.053 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.494 13.626 7.061 1.00 0.00 H new ATOM 806 N LYS A 53 -6.918 8.764 3.921 1.00 0.00 N ATOM 807 CA LYS A 53 -8.112 9.004 3.119 1.00 0.00 C ATOM 808 C LYS A 53 -8.163 10.448 2.637 1.00 0.00 C ATOM 809 O LYS A 53 -7.486 11.321 3.183 1.00 0.00 O ATOM 810 CB LYS A 53 -9.371 8.681 3.924 1.00 0.00 C ATOM 811 CG LYS A 53 -10.261 7.640 3.266 1.00 0.00 C ATOM 812 CD LYS A 53 -9.655 6.252 3.367 1.00 0.00 C ATOM 813 CE LYS A 53 -10.286 5.292 2.373 1.00 0.00 C ATOM 814 NZ LYS A 53 -9.273 4.401 1.741 1.00 0.00 N ATOM 0 H LYS A 53 -7.092 8.671 4.922 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.068 8.349 2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.079 8.326 4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.944 9.597 4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.243 7.646 3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.412 7.898 2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.581 6.309 3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.789 5.869 4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.037 4.686 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.804 5.859 1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.719 3.857 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.499 4.976 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.893 3.747 2.454 1.00 0.00 H new ATOM 828 N MET A 54 -8.975 10.695 1.617 1.00 0.00 N ATOM 829 CA MET A 54 -9.122 12.035 1.066 1.00 0.00 C ATOM 830 C MET A 54 -10.366 12.709 1.627 1.00 0.00 C ATOM 831 O MET A 54 -11.122 13.356 0.901 1.00 0.00 O ATOM 832 CB MET A 54 -9.193 11.978 -0.461 1.00 0.00 C ATOM 833 CG MET A 54 -8.160 11.051 -1.083 1.00 0.00 C ATOM 834 SD MET A 54 -6.822 11.946 -1.898 1.00 0.00 S ATOM 835 CE MET A 54 -5.944 10.599 -2.686 1.00 0.00 C ATOM 0 H MET A 54 -9.542 9.984 1.155 1.00 0.00 H new ATOM 0 HA MET A 54 -8.250 12.623 1.353 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.189 11.650 -0.758 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.055 12.983 -0.861 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.742 10.408 -0.309 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.651 10.401 -1.807 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.397 10.977 -3.550 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.243 10.158 -1.977 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.657 9.841 -3.011 1.00 0.00 H new ATOM 845 N GLN A 55 -10.570 12.548 2.928 1.00 0.00 N ATOM 846 CA GLN A 55 -11.719 13.134 3.606 1.00 0.00 C ATOM 847 C GLN A 55 -11.346 14.451 4.271 1.00 0.00 C ATOM 848 O GLN A 55 -10.167 14.738 4.483 1.00 0.00 O ATOM 849 CB GLN A 55 -12.259 12.171 4.664 1.00 0.00 C ATOM 850 CG GLN A 55 -12.724 10.846 4.096 1.00 0.00 C ATOM 851 CD GLN A 55 -13.544 10.041 5.085 1.00 0.00 C ATOM 852 OE1 GLN A 55 -14.659 10.423 5.442 1.00 0.00 O ATOM 853 NE2 GLN A 55 -12.992 8.921 5.536 1.00 0.00 N ATOM 0 H GLN A 55 -9.951 12.013 3.538 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.488 13.322 2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.482 11.986 5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.091 12.646 5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.318 11.028 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.856 10.262 3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.065 8.643 5.213 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.495 8.339 6.206 1.00 0.00 H new ATOM 862 N PRO A 56 -12.351 15.266 4.633 1.00 0.00 N ATOM 863 CA PRO A 56 -12.115 16.546 5.300 1.00 0.00 C ATOM 864 C PRO A 56 -11.336 16.361 6.598 1.00 0.00 C ATOM 865 O PRO A 56 -10.748 17.307 7.122 1.00 0.00 O ATOM 866 CB PRO A 56 -13.526 17.074 5.589 1.00 0.00 C ATOM 867 CG PRO A 56 -14.413 16.347 4.638 1.00 0.00 C ATOM 868 CD PRO A 56 -13.786 14.997 4.441 1.00 0.00 C ATOM 0 HA PRO A 56 -11.520 17.227 4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.815 16.883 6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.583 18.152 5.436 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.422 16.254 5.039 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.493 16.882 3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -14.160 14.270 5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.992 14.597 3.448 1.00 0.00 H new ATOM 876 N ASP A 57 -11.332 15.129 7.108 1.00 0.00 N ATOM 877 CA ASP A 57 -10.620 14.814 8.341 1.00 0.00 C ATOM 878 C ASP A 57 -9.305 14.105 8.037 1.00 0.00 C ATOM 879 O ASP A 57 -8.301 14.319 8.716 1.00 0.00 O ATOM 880 CB ASP A 57 -11.488 13.939 9.247 1.00 0.00 C ATOM 881 CG ASP A 57 -12.706 14.674 9.768 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.170 15.612 9.086 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.197 14.311 10.858 1.00 0.00 O ATOM 0 H ASP A 57 -11.814 14.336 6.685 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.400 15.749 8.856 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.809 13.056 8.695 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.891 13.589 10.089 1.00 0.00 H new ATOM 888 N GLN A 58 -9.319 13.259 7.009 1.00 0.00 N ATOM 889 CA GLN A 58 -8.127 12.517 6.609 1.00 0.00 C ATOM 890 C GLN A 58 -7.666 11.580 7.721 1.00 0.00 C ATOM 891 O GLN A 58 -7.435 12.007 8.852 1.00 0.00 O ATOM 892 CB GLN A 58 -6.999 13.481 6.236 1.00 0.00 C ATOM 893 CG GLN A 58 -7.070 13.976 4.800 1.00 0.00 C ATOM 894 CD GLN A 58 -5.705 14.071 4.148 1.00 0.00 C ATOM 895 OE1 GLN A 58 -4.698 14.295 4.819 1.00 0.00 O ATOM 896 NE2 GLN A 58 -5.665 13.901 2.831 1.00 0.00 N ATOM 0 H GLN A 58 -10.143 13.071 6.438 1.00 0.00 H new ATOM 0 HA GLN A 58 -8.383 11.915 5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.028 14.338 6.909 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.041 12.985 6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.700 13.303 4.218 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.547 14.956 4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.525 13.717 2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.774 13.954 2.337 1.00 0.00 H new ATOM 905 N GLN A 59 -7.532 10.300 7.389 1.00 0.00 N ATOM 906 CA GLN A 59 -7.097 9.298 8.356 1.00 0.00 C ATOM 907 C GLN A 59 -6.242 8.232 7.678 1.00 0.00 C ATOM 908 O GLN A 59 -6.563 7.772 6.583 1.00 0.00 O ATOM 909 CB GLN A 59 -8.309 8.650 9.028 1.00 0.00 C ATOM 910 CG GLN A 59 -9.167 7.830 8.077 1.00 0.00 C ATOM 911 CD GLN A 59 -10.569 7.600 8.607 1.00 0.00 C ATOM 912 OE1 GLN A 59 -11.518 8.264 8.191 1.00 0.00 O ATOM 913 NE2 GLN A 59 -10.706 6.655 9.529 1.00 0.00 N ATOM 0 H GLN A 59 -7.719 9.932 6.456 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.494 9.794 9.116 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.964 8.008 9.838 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.924 9.429 9.478 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.225 8.340 7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.687 6.867 7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.891 6.129 9.845 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.626 6.455 9.922 1.00 0.00 H new ATOM 922 N VAL A 60 -5.152 7.845 8.332 1.00 0.00 N ATOM 923 CA VAL A 60 -4.259 6.834 7.780 1.00 0.00 C ATOM 924 C VAL A 60 -4.946 5.477 7.698 1.00 0.00 C ATOM 925 O VAL A 60 -5.363 4.916 8.711 1.00 0.00 O ATOM 926 CB VAL A 60 -2.966 6.699 8.613 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.268 8.044 8.739 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.262 6.109 9.986 1.00 0.00 C ATOM 0 H VAL A 60 -4.867 8.214 9.239 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.996 7.165 6.775 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.296 6.015 8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.359 7.928 9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.011 8.415 7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.932 8.754 9.231 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.335 6.024 10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.956 6.759 10.519 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.708 5.121 9.869 1.00 0.00 H new ATOM 938 N VAL A 61 -5.055 4.950 6.485 1.00 0.00 N ATOM 939 CA VAL A 61 -5.683 3.655 6.272 1.00 0.00 C ATOM 940 C VAL A 61 -4.634 2.545 6.263 1.00 0.00 C ATOM 941 O VAL A 61 -4.924 1.396 6.596 1.00 0.00 O ATOM 942 CB VAL A 61 -6.480 3.629 4.949 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.348 4.872 4.823 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.547 3.504 3.754 1.00 0.00 C ATOM 0 H VAL A 61 -4.716 5.400 5.635 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.376 3.486 7.096 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.130 2.754 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.902 4.836 3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.049 4.912 5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.716 5.760 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.133 3.488 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.865 4.354 3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.974 2.580 3.835 1.00 0.00 H new ATOM 954 N ILE A 62 -3.413 2.906 5.881 1.00 0.00 N ATOM 955 CA ILE A 62 -2.310 1.957 5.829 1.00 0.00 C ATOM 956 C ILE A 62 -1.035 2.588 6.375 1.00 0.00 C ATOM 957 O ILE A 62 -0.682 3.707 6.008 1.00 0.00 O ATOM 958 CB ILE A 62 -2.057 1.464 4.388 1.00 0.00 C ATOM 959 CG1 ILE A 62 -1.093 0.277 4.391 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.513 2.590 3.519 1.00 0.00 C ATOM 961 CD1 ILE A 62 -1.160 -0.558 3.131 1.00 0.00 C ATOM 0 H ILE A 62 -3.163 3.855 5.602 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.588 1.103 6.446 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.008 1.138 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.075 0.646 4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.313 -0.357 5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.342 2.220 2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.234 3.407 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.573 2.950 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.450 -1.382 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.168 -0.957 3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.911 0.062 2.270 1.00 0.00 H new ATOM 973 N ASN A 63 -0.348 1.866 7.253 1.00 0.00 N ATOM 974 CA ASN A 63 0.887 2.365 7.845 1.00 0.00 C ATOM 975 C ASN A 63 1.727 1.216 8.396 1.00 0.00 C ATOM 976 O ASN A 63 1.909 1.089 9.607 1.00 0.00 O ATOM 977 CB ASN A 63 0.574 3.376 8.952 1.00 0.00 C ATOM 978 CG ASN A 63 1.757 4.265 9.277 1.00 0.00 C ATOM 979 OD1 ASN A 63 2.896 3.804 9.343 1.00 0.00 O ATOM 980 ND2 ASN A 63 1.491 5.551 9.485 1.00 0.00 N ATOM 0 H ASN A 63 -0.624 0.937 7.570 1.00 0.00 H new ATOM 0 HA ASN A 63 1.463 2.865 7.066 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.269 3.996 8.646 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.267 2.842 9.851 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.247 6.198 9.709 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.531 5.890 9.420 1.00 0.00 H new ATOM 987 N CYS A 64 2.234 0.380 7.493 1.00 0.00 N ATOM 988 CA CYS A 64 3.057 -0.763 7.879 1.00 0.00 C ATOM 989 C CYS A 64 4.391 -0.745 7.138 1.00 0.00 C ATOM 990 O CYS A 64 4.535 -0.071 6.119 1.00 0.00 O ATOM 991 CB CYS A 64 2.319 -2.072 7.591 1.00 0.00 C ATOM 992 SG CYS A 64 2.966 -3.498 8.495 1.00 0.00 S ATOM 0 H CYS A 64 2.089 0.473 6.488 1.00 0.00 H new ATOM 0 HA CYS A 64 3.253 -0.693 8.949 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.265 -1.945 7.840 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.371 -2.279 6.522 1.00 0.00 H new ATOM 0 HG CYS A 64 2.982 -4.536 7.713 1.00 0.00 H new ATOM 998 N ALA A 65 5.365 -1.486 7.659 1.00 0.00 N ATOM 999 CA ALA A 65 6.689 -1.550 7.048 1.00 0.00 C ATOM 1000 C ALA A 65 6.899 -2.862 6.298 1.00 0.00 C ATOM 1001 O ALA A 65 6.365 -3.902 6.682 1.00 0.00 O ATOM 1002 CB ALA A 65 7.766 -1.371 8.108 1.00 0.00 C ATOM 0 H ALA A 65 5.262 -2.050 8.502 1.00 0.00 H new ATOM 0 HA ALA A 65 6.761 -0.739 6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.749 -1.421 7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.643 -0.402 8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.678 -2.162 8.853 1.00 0.00 H new ATOM 1008 N ILE A 66 7.688 -2.805 5.227 1.00 0.00 N ATOM 1009 CA ILE A 66 7.979 -3.988 4.422 1.00 0.00 C ATOM 1010 C ILE A 66 9.476 -4.279 4.407 1.00 0.00 C ATOM 1011 O ILE A 66 10.295 -3.361 4.374 1.00 0.00 O ATOM 1012 CB ILE A 66 7.485 -3.840 2.961 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.059 -2.402 2.661 1.00 0.00 C ATOM 1014 CG2 ILE A 66 6.332 -4.798 2.693 1.00 0.00 C ATOM 1015 CD1 ILE A 66 6.832 -2.144 1.189 1.00 0.00 C ATOM 0 H ILE A 66 8.137 -1.951 4.897 1.00 0.00 H new ATOM 0 HA ILE A 66 7.443 -4.815 4.887 1.00 0.00 H new ATOM 0 HB ILE A 66 8.315 -4.090 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.143 -2.180 3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.824 -1.719 3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.995 -4.683 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.666 -5.823 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.508 -4.575 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.532 -1.106 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.754 -2.336 0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.046 -2.804 0.821 1.00 0.00 H new ATOM 1027 N VAL A 67 9.827 -5.560 4.426 1.00 0.00 N ATOM 1028 CA VAL A 67 11.227 -5.963 4.409 1.00 0.00 C ATOM 1029 C VAL A 67 11.421 -7.273 3.659 1.00 0.00 C ATOM 1030 O VAL A 67 10.986 -8.330 4.115 1.00 0.00 O ATOM 1031 CB VAL A 67 11.794 -6.118 5.830 1.00 0.00 C ATOM 1032 CG1 VAL A 67 11.894 -4.765 6.518 1.00 0.00 C ATOM 1033 CG2 VAL A 67 10.941 -7.079 6.644 1.00 0.00 C ATOM 0 H VAL A 67 9.164 -6.334 4.453 1.00 0.00 H new ATOM 0 HA VAL A 67 11.767 -5.168 3.895 1.00 0.00 H new ATOM 0 HB VAL A 67 12.798 -6.535 5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.297 -4.896 7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.553 -4.113 5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.903 -4.315 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.358 -7.176 7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.923 -6.695 6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.930 -8.055 6.160 1.00 0.00 H new ATOM 1043 N ARG A 68 12.092 -7.183 2.511 1.00 0.00 N ATOM 1044 CA ARG A 68 12.386 -8.341 1.658 1.00 0.00 C ATOM 1045 C ARG A 68 11.425 -9.507 1.908 1.00 0.00 C ATOM 1046 O ARG A 68 11.794 -10.488 2.556 1.00 0.00 O ATOM 1047 CB ARG A 68 13.824 -8.806 1.902 1.00 0.00 C ATOM 1048 CG ARG A 68 14.236 -10.003 1.059 1.00 0.00 C ATOM 1049 CD ARG A 68 15.222 -10.895 1.799 1.00 0.00 C ATOM 1050 NE ARG A 68 16.512 -10.968 1.116 1.00 0.00 N ATOM 1051 CZ ARG A 68 17.640 -11.363 1.703 1.00 0.00 C ATOM 1052 NH1 ARG A 68 17.641 -11.721 2.982 1.00 0.00 N ATOM 1053 NH2 ARG A 68 18.769 -11.402 1.009 1.00 0.00 N ATOM 0 H ARG A 68 12.450 -6.302 2.142 1.00 0.00 H new ATOM 0 HA ARG A 68 12.258 -8.025 0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.503 -7.978 1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.940 -9.059 2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.352 -10.581 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.685 -9.656 0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.368 -10.514 2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.804 -11.897 1.893 1.00 0.00 H new ATOM 0 HE ARG A 68 16.550 -10.701 0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.775 -11.694 3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.508 -12.023 3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.773 -11.130 0.026 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.633 -11.704 1.458 1.00 0.00 H new ATOM 1067 N GLY A 69 10.199 -9.405 1.399 1.00 0.00 N ATOM 1068 CA GLY A 69 9.243 -10.481 1.605 1.00 0.00 C ATOM 1069 C GLY A 69 7.895 -10.248 0.946 1.00 0.00 C ATOM 1070 O GLY A 69 7.243 -11.200 0.518 1.00 0.00 O ATOM 0 H GLY A 69 9.855 -8.612 0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.668 -11.408 1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.093 -10.619 2.676 1.00 0.00 H new ATOM 1074 N VAL A 70 7.458 -8.993 0.873 1.00 0.00 N ATOM 1075 CA VAL A 70 6.166 -8.686 0.271 1.00 0.00 C ATOM 1076 C VAL A 70 6.305 -8.337 -1.208 1.00 0.00 C ATOM 1077 O VAL A 70 7.063 -7.440 -1.579 1.00 0.00 O ATOM 1078 CB VAL A 70 5.446 -7.544 1.038 1.00 0.00 C ATOM 1079 CG1 VAL A 70 4.892 -6.481 0.101 1.00 0.00 C ATOM 1080 CG2 VAL A 70 4.327 -8.112 1.894 1.00 0.00 C ATOM 0 H VAL A 70 7.973 -8.183 1.219 1.00 0.00 H new ATOM 0 HA VAL A 70 5.554 -9.585 0.345 1.00 0.00 H new ATOM 0 HB VAL A 70 6.189 -7.065 1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.398 -5.704 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.708 -6.041 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.173 -6.936 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.830 -7.302 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.606 -8.624 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.742 -8.818 2.613 1.00 0.00 H new ATOM 1090 N LYS A 71 5.558 -9.051 -2.041 1.00 0.00 N ATOM 1091 CA LYS A 71 5.576 -8.825 -3.479 1.00 0.00 C ATOM 1092 C LYS A 71 4.263 -8.199 -3.926 1.00 0.00 C ATOM 1093 O LYS A 71 3.210 -8.463 -3.346 1.00 0.00 O ATOM 1094 CB LYS A 71 5.812 -10.141 -4.225 1.00 0.00 C ATOM 1095 CG LYS A 71 7.268 -10.378 -4.598 1.00 0.00 C ATOM 1096 CD LYS A 71 7.470 -10.384 -6.108 1.00 0.00 C ATOM 1097 CE LYS A 71 8.011 -11.719 -6.595 1.00 0.00 C ATOM 1098 NZ LYS A 71 7.062 -12.835 -6.329 1.00 0.00 N ATOM 0 H LYS A 71 4.929 -9.796 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 71 6.392 -8.142 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.466 -10.968 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.208 -10.148 -5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.889 -9.602 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.600 -11.330 -4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.522 -10.172 -6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.160 -9.588 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.211 -11.661 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.962 -11.926 -6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.308 -13.650 -6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.120 -13.109 -5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.093 -12.526 -6.547 1.00 0.00 H new ATOM 1112 N TYR A 72 4.326 -7.360 -4.950 1.00 0.00 N ATOM 1113 CA TYR A 72 3.135 -6.695 -5.456 1.00 0.00 C ATOM 1114 C TYR A 72 2.409 -7.564 -6.478 1.00 0.00 C ATOM 1115 O TYR A 72 2.839 -7.686 -7.625 1.00 0.00 O ATOM 1116 CB TYR A 72 3.508 -5.341 -6.069 1.00 0.00 C ATOM 1117 CG TYR A 72 3.157 -4.157 -5.190 1.00 0.00 C ATOM 1118 CD1 TYR A 72 3.083 -4.290 -3.807 1.00 0.00 C ATOM 1119 CD2 TYR A 72 2.902 -2.907 -5.742 1.00 0.00 C ATOM 1120 CE1 TYR A 72 2.767 -3.214 -3.003 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.586 -1.824 -4.942 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.520 -1.984 -3.573 1.00 0.00 C ATOM 1123 OH TYR A 72 2.210 -0.910 -2.772 1.00 0.00 O ATOM 0 H TYR A 72 5.186 -7.124 -5.445 1.00 0.00 H new ATOM 0 HA TYR A 72 2.456 -6.529 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.579 -5.327 -6.272 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.000 -5.234 -7.028 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.276 -5.252 -3.355 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.951 -2.779 -6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.713 -3.335 -1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.392 -0.859 -5.386 1.00 0.00 H new ATOM 0 HH TYR A 72 1.650 -0.280 -3.272 1.00 0.00 H new ATOM 1133 N ASN A 73 1.302 -8.163 -6.047 1.00 0.00 N ATOM 1134 CA ASN A 73 0.505 -9.022 -6.914 1.00 0.00 C ATOM 1135 C ASN A 73 -0.623 -8.228 -7.568 1.00 0.00 C ATOM 1136 O ASN A 73 -1.671 -8.006 -6.963 1.00 0.00 O ATOM 1137 CB ASN A 73 -0.075 -10.192 -6.115 1.00 0.00 C ATOM 1138 CG ASN A 73 0.425 -11.535 -6.611 1.00 0.00 C ATOM 1139 OD1 ASN A 73 0.839 -12.387 -5.824 1.00 0.00 O ATOM 1140 ND2 ASN A 73 0.390 -11.731 -7.924 1.00 0.00 N ATOM 0 H ASN A 73 0.937 -8.068 -5.099 1.00 0.00 H new ATOM 0 HA ASN A 73 1.154 -9.414 -7.697 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.187 -10.076 -5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.163 -10.167 -6.177 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.714 -12.615 -8.317 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.039 -10.998 -8.540 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.396 -7.804 -8.805 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.391 -7.032 -9.541 1.00 0.00 C ATOM 1149 C GLN A 74 -2.634 -7.869 -9.824 1.00 0.00 C ATOM 1150 O GLN A 74 -2.778 -8.439 -10.906 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.798 -6.522 -10.856 1.00 0.00 C ATOM 1152 CG GLN A 74 -1.540 -5.326 -11.433 1.00 0.00 C ATOM 1153 CD GLN A 74 -2.021 -5.566 -12.850 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -1.550 -4.931 -13.794 1.00 0.00 O ATOM 1155 NE2 GLN A 74 -2.964 -6.487 -13.007 1.00 0.00 N ATOM 0 H GLN A 74 0.467 -7.981 -9.320 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.682 -6.182 -8.924 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.245 -6.249 -10.693 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.805 -7.331 -11.587 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.395 -5.093 -10.798 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.885 -4.455 -11.418 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.326 -6.990 -12.197 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.327 -6.692 -13.938 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.535 -7.932 -8.847 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.771 -8.693 -8.995 1.00 0.00 C ATOM 1166 C ALA A 75 -5.528 -8.261 -10.247 1.00 0.00 C ATOM 1167 O ALA A 75 -6.259 -9.047 -10.850 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.645 -8.520 -7.761 1.00 0.00 C ATOM 0 H ALA A 75 -3.432 -7.466 -7.946 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.515 -9.747 -9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.564 -9.093 -7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.109 -8.878 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.889 -7.465 -7.633 1.00 0.00 H new ATOM 1174 N THR A 76 -5.341 -7.003 -10.631 1.00 0.00 N ATOM 1175 CA THR A 76 -5.993 -6.448 -11.809 1.00 0.00 C ATOM 1176 C THR A 76 -5.337 -5.125 -12.197 1.00 0.00 C ATOM 1177 O THR A 76 -4.809 -4.415 -11.342 1.00 0.00 O ATOM 1178 CB THR A 76 -7.488 -6.245 -11.543 1.00 0.00 C ATOM 1179 OG1 THR A 76 -8.109 -5.576 -12.625 1.00 0.00 O ATOM 1180 CG2 THR A 76 -7.769 -5.447 -10.291 1.00 0.00 C ATOM 0 H THR A 76 -4.738 -6.345 -10.138 1.00 0.00 H new ATOM 0 HA THR A 76 -5.881 -7.149 -12.636 1.00 0.00 H new ATOM 0 HB THR A 76 -7.894 -7.249 -11.417 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.063 -5.459 -12.433 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.846 -5.340 -10.162 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.349 -5.964 -9.428 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.314 -4.460 -10.379 1.00 0.00 H new ATOM 1188 N PRO A 77 -5.351 -4.778 -13.499 1.00 0.00 N ATOM 1189 CA PRO A 77 -4.747 -3.542 -14.003 1.00 0.00 C ATOM 1190 C PRO A 77 -4.925 -2.347 -13.065 1.00 0.00 C ATOM 1191 O PRO A 77 -4.093 -1.440 -13.042 1.00 0.00 O ATOM 1192 CB PRO A 77 -5.503 -3.319 -15.308 1.00 0.00 C ATOM 1193 CG PRO A 77 -5.787 -4.693 -15.810 1.00 0.00 C ATOM 1194 CD PRO A 77 -5.947 -5.574 -14.592 1.00 0.00 C ATOM 0 HA PRO A 77 -3.666 -3.631 -14.110 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.423 -2.758 -15.144 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.906 -2.751 -16.021 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.692 -4.704 -16.418 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.974 -5.050 -16.442 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.995 -5.800 -14.397 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.434 -6.527 -14.718 1.00 0.00 H new ATOM 1202 N ASN A 78 -6.012 -2.345 -12.297 1.00 0.00 N ATOM 1203 CA ASN A 78 -6.282 -1.251 -11.370 1.00 0.00 C ATOM 1204 C ASN A 78 -6.400 -1.752 -9.928 1.00 0.00 C ATOM 1205 O ASN A 78 -7.356 -1.427 -9.225 1.00 0.00 O ATOM 1206 CB ASN A 78 -7.564 -0.519 -11.781 1.00 0.00 C ATOM 1207 CG ASN A 78 -7.376 0.984 -11.842 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -6.496 1.484 -12.544 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -8.205 1.714 -11.105 1.00 0.00 N ATOM 0 H ASN A 78 -6.715 -3.084 -12.298 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.441 -0.559 -11.414 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.890 -0.882 -12.756 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.357 -0.755 -11.072 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.127 2.731 -11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.920 1.258 -10.538 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.416 -2.534 -9.489 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.419 -3.063 -8.127 1.00 0.00 C ATOM 1218 C PHE A 79 -4.085 -3.720 -7.781 1.00 0.00 C ATOM 1219 O PHE A 79 -3.606 -4.594 -8.503 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.556 -4.071 -7.947 1.00 0.00 C ATOM 1221 CG PHE A 79 -6.997 -4.249 -6.519 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -6.260 -5.030 -5.640 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.153 -3.641 -6.058 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -6.669 -5.197 -4.329 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -8.566 -3.806 -4.750 1.00 0.00 C ATOM 1226 CZ PHE A 79 -7.824 -4.584 -3.885 1.00 0.00 C ATOM 0 H PHE A 79 -4.612 -2.814 -10.051 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.572 -2.224 -7.448 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.410 -3.750 -8.543 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.238 -5.036 -8.341 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.357 -5.513 -5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.739 -3.030 -6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.086 -5.806 -3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.470 -3.326 -4.404 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.146 -4.713 -2.862 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.499 -3.303 -6.662 1.00 0.00 N ATOM 1237 CA HIS A 80 -2.230 -3.857 -6.205 1.00 0.00 C ATOM 1238 C HIS A 80 -2.406 -4.534 -4.851 1.00 0.00 C ATOM 1239 O HIS A 80 -2.673 -3.877 -3.846 1.00 0.00 O ATOM 1240 CB HIS A 80 -1.162 -2.768 -6.125 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.157 -2.851 -7.232 1.00 0.00 C ATOM 1242 ND1 HIS A 80 0.017 -1.857 -8.172 1.00 0.00 N ATOM 1243 CD2 HIS A 80 0.722 -3.829 -7.556 1.00 0.00 C ATOM 1244 CE1 HIS A 80 0.958 -2.221 -9.027 1.00 0.00 C ATOM 1245 NE2 HIS A 80 1.402 -3.412 -8.673 1.00 0.00 N ATOM 0 H HIS A 80 -3.885 -2.581 -6.054 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.900 -4.604 -6.927 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.645 -1.791 -6.152 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.646 -2.842 -5.167 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -0.500 -0.978 -8.203 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.862 -4.763 -7.033 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.304 -1.642 -9.871 1.00 0.00 H new ATOM 1254 N GLN A 81 -2.277 -5.857 -4.838 1.00 0.00 N ATOM 1255 CA GLN A 81 -2.445 -6.632 -3.615 1.00 0.00 C ATOM 1256 C GLN A 81 -1.171 -7.392 -3.253 1.00 0.00 C ATOM 1257 O GLN A 81 -0.586 -8.079 -4.092 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.615 -7.610 -3.786 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.579 -8.800 -2.838 1.00 0.00 C ATOM 1260 CD GLN A 81 -2.997 -10.042 -3.483 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -3.521 -10.542 -4.478 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -1.907 -10.548 -2.917 1.00 0.00 N ATOM 0 H GLN A 81 -2.056 -6.415 -5.663 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.659 -5.942 -2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.550 -7.070 -3.637 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.619 -7.978 -4.812 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.989 -8.541 -1.959 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.590 -9.015 -2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.506 -10.101 -2.093 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.471 -11.384 -3.307 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.755 -7.278 -1.994 1.00 0.00 N ATOM 1272 CA TRP A 82 0.439 -7.972 -1.519 1.00 0.00 C ATOM 1273 C TRP A 82 0.216 -8.568 -0.134 1.00 0.00 C ATOM 1274 O TRP A 82 -0.444 -7.966 0.714 1.00 0.00 O ATOM 1275 CB TRP A 82 1.642 -7.030 -1.487 1.00 0.00 C ATOM 1276 CG TRP A 82 1.477 -5.878 -0.544 1.00 0.00 C ATOM 1277 CD1 TRP A 82 1.918 -5.806 0.746 1.00 0.00 C ATOM 1278 CD2 TRP A 82 0.834 -4.629 -0.820 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.590 -4.587 1.288 1.00 0.00 N ATOM 1280 CE2 TRP A 82 0.923 -3.847 0.347 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.192 -4.096 -1.941 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.396 -2.562 0.425 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 -0.332 -2.820 -1.862 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.225 -2.065 -0.688 1.00 0.00 C ATOM 0 H TRP A 82 -1.225 -6.714 -1.286 1.00 0.00 H new ATOM 0 HA TRP A 82 0.643 -8.783 -2.218 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.529 -7.597 -1.203 1.00 0.00 H new ATOM 0 HB3 TRP A 82 1.818 -6.644 -2.491 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.447 -6.592 1.264 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.808 -4.282 2.237 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.107 -4.670 -2.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.474 -1.978 1.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.833 -2.398 -2.721 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.642 -1.069 -0.660 1.00 0.00 H new ATOM 1295 N ARG A 83 0.773 -9.755 0.090 1.00 0.00 N ATOM 1296 CA ARG A 83 0.638 -10.436 1.372 1.00 0.00 C ATOM 1297 C ARG A 83 1.746 -10.013 2.331 1.00 0.00 C ATOM 1298 O ARG A 83 2.898 -10.424 2.184 1.00 0.00 O ATOM 1299 CB ARG A 83 0.671 -11.952 1.175 1.00 0.00 C ATOM 1300 CG ARG A 83 0.374 -12.738 2.441 1.00 0.00 C ATOM 1301 CD ARG A 83 0.999 -14.123 2.397 1.00 0.00 C ATOM 1302 NE ARG A 83 0.063 -15.131 1.907 1.00 0.00 N ATOM 1303 CZ ARG A 83 0.383 -16.410 1.718 1.00 0.00 C ATOM 1304 NH1 ARG A 83 1.612 -16.840 1.978 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -0.530 -17.261 1.269 1.00 0.00 N ATOM 0 H ARG A 83 1.323 -10.265 -0.601 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.322 -10.154 1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.054 -12.226 0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.654 -12.240 0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.754 -12.194 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.705 -12.828 2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.879 -14.103 1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.339 -14.399 3.395 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.891 -14.839 1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.317 -16.190 2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.851 -17.821 1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.476 -16.936 1.069 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.286 -18.241 1.124 1.00 0.00 H new ATOM 1319 N ASP A 84 1.390 -9.191 3.313 1.00 0.00 N ATOM 1320 CA ASP A 84 2.349 -8.713 4.296 1.00 0.00 C ATOM 1321 C ASP A 84 2.154 -9.423 5.629 1.00 0.00 C ATOM 1322 O ASP A 84 1.040 -9.503 6.147 1.00 0.00 O ATOM 1323 CB ASP A 84 2.210 -7.202 4.482 1.00 0.00 C ATOM 1324 CG ASP A 84 3.313 -6.620 5.344 1.00 0.00 C ATOM 1325 OD1 ASP A 84 4.475 -6.601 4.888 1.00 0.00 O ATOM 1326 OD2 ASP A 84 3.015 -6.185 6.477 1.00 0.00 O ATOM 0 H ASP A 84 0.441 -8.843 3.447 1.00 0.00 H new ATOM 0 HA ASP A 84 3.352 -8.934 3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.221 -6.716 3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.244 -6.982 4.936 1.00 0.00 H new ATOM 1331 N ALA A 85 3.245 -9.935 6.175 1.00 0.00 N ATOM 1332 CA ALA A 85 3.210 -10.640 7.448 1.00 0.00 C ATOM 1333 C ALA A 85 2.332 -11.888 7.372 1.00 0.00 C ATOM 1334 O ALA A 85 2.831 -12.997 7.183 1.00 0.00 O ATOM 1335 CB ALA A 85 2.730 -9.711 8.554 1.00 0.00 C ATOM 0 H ALA A 85 4.172 -9.875 5.754 1.00 0.00 H new ATOM 0 HA ALA A 85 4.224 -10.965 7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.709 -10.252 9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.409 -8.862 8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.728 -9.353 8.319 1.00 0.00 H new ATOM 1341 N ARG A 86 1.026 -11.700 7.526 1.00 0.00 N ATOM 1342 CA ARG A 86 0.080 -12.813 7.478 1.00 0.00 C ATOM 1343 C ARG A 86 -1.150 -12.453 6.651 1.00 0.00 C ATOM 1344 O ARG A 86 -1.754 -13.315 6.011 1.00 0.00 O ATOM 1345 CB ARG A 86 -0.344 -13.211 8.896 1.00 0.00 C ATOM 1346 CG ARG A 86 -1.444 -14.263 8.934 1.00 0.00 C ATOM 1347 CD ARG A 86 -1.113 -15.385 9.905 1.00 0.00 C ATOM 1348 NE ARG A 86 0.228 -15.921 9.684 1.00 0.00 N ATOM 1349 CZ ARG A 86 0.921 -16.591 10.602 1.00 0.00 C ATOM 1350 NH1 ARG A 86 0.404 -16.814 11.804 1.00 0.00 N ATOM 1351 NH2 ARG A 86 2.135 -17.040 10.317 1.00 0.00 N ATOM 0 H ARG A 86 0.597 -10.789 7.685 1.00 0.00 H new ATOM 0 HA ARG A 86 0.579 -13.657 7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.526 -13.588 9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.685 -12.322 9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.385 -13.796 9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.588 -14.676 7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.192 -15.015 10.927 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.846 -16.185 9.798 1.00 0.00 H new ATOM 0 HE ARG A 86 0.659 -15.773 8.772 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.530 -16.471 12.029 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.941 -17.328 12.503 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.537 -16.872 9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.667 -17.553 11.020 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.511 -11.178 6.665 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.659 -10.698 5.919 1.00 0.00 C ATOM 1367 C GLN A 87 -2.217 -10.188 4.559 1.00 0.00 C ATOM 1368 O GLN A 87 -1.080 -10.405 4.142 1.00 0.00 O ATOM 1369 CB GLN A 87 -3.369 -9.587 6.696 1.00 0.00 C ATOM 1370 CG GLN A 87 -2.529 -8.330 6.865 1.00 0.00 C ATOM 1371 CD GLN A 87 -2.416 -7.894 8.312 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -1.321 -7.828 8.870 1.00 0.00 O ATOM 1373 NE2 GLN A 87 -3.553 -7.594 8.929 1.00 0.00 N ATOM 0 H GLN A 87 -1.019 -10.455 7.190 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.357 -11.523 5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.294 -9.329 6.181 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.646 -9.964 7.680 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.531 -8.508 6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.968 -7.522 6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.439 -7.663 8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.541 -7.295 9.904 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.119 -9.516 3.868 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.815 -8.983 2.551 1.00 0.00 C ATOM 1384 C VAL A 88 -3.380 -7.577 2.397 1.00 0.00 C ATOM 1385 O VAL A 88 -4.569 -7.349 2.608 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.369 -9.896 1.441 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -2.598 -9.690 0.148 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.310 -11.355 1.875 1.00 0.00 C ATOM 0 H VAL A 88 -4.066 -9.326 4.195 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.730 -8.941 2.453 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.411 -9.632 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.003 -10.343 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.691 -8.651 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.547 -9.928 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.705 -11.987 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.276 -11.632 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.907 -11.491 2.777 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.512 -6.635 2.048 1.00 0.00 N ATOM 1399 CA TRP A 89 -2.919 -5.246 1.888 1.00 0.00 C ATOM 1400 C TRP A 89 -3.274 -4.931 0.441 1.00 0.00 C ATOM 1401 O TRP A 89 -2.398 -4.675 -0.385 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.804 -4.315 2.365 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.518 -4.434 3.830 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -0.742 -5.379 4.439 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -2.007 -3.583 4.870 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -0.719 -5.165 5.797 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.489 -4.067 6.086 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -2.832 -2.455 4.890 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -1.771 -3.461 7.308 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.111 -1.856 6.104 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.582 -2.359 7.298 1.00 0.00 C ATOM 0 H TRP A 89 -1.523 -6.808 1.871 1.00 0.00 H new ATOM 0 HA TRP A 89 -3.810 -5.087 2.495 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.894 -4.533 1.806 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -2.079 -3.285 2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.223 -6.177 3.929 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.212 -5.730 6.478 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.244 -2.059 3.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.364 -3.847 8.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.748 -0.985 6.132 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -2.819 -1.868 8.230 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.569 -4.942 0.144 1.00 0.00 N ATOM 1423 CA GLY A 90 -5.026 -4.646 -1.199 1.00 0.00 C ATOM 1424 C GLY A 90 -5.074 -3.158 -1.467 1.00 0.00 C ATOM 1425 O GLY A 90 -5.077 -2.356 -0.536 1.00 0.00 O ATOM 0 H GLY A 90 -5.311 -5.151 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.363 -5.123 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.018 -5.073 -1.347 1.00 0.00 H new ATOM 1429 N LEU A 91 -5.114 -2.787 -2.739 1.00 0.00 N ATOM 1430 CA LEU A 91 -5.164 -1.381 -3.119 1.00 0.00 C ATOM 1431 C LEU A 91 -5.947 -1.194 -4.408 1.00 0.00 C ATOM 1432 O LEU A 91 -5.458 -1.520 -5.487 1.00 0.00 O ATOM 1433 CB LEU A 91 -3.749 -0.821 -3.301 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.288 0.165 -2.228 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -4.304 1.285 -2.058 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -3.047 -0.555 -0.909 1.00 0.00 C ATOM 0 H LEU A 91 -5.113 -3.438 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.666 -0.840 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.048 -1.655 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.695 -0.327 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.346 0.609 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.958 1.977 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.419 1.818 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.264 0.863 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.719 0.163 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.971 -1.029 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.277 -1.315 -1.045 1.00 0.00 H new ATOM 1448 N ASN A 92 -7.152 -0.652 -4.301 1.00 0.00 N ATOM 1449 CA ASN A 92 -7.969 -0.414 -5.486 1.00 0.00 C ATOM 1450 C ASN A 92 -7.731 0.994 -6.008 1.00 0.00 C ATOM 1451 O ASN A 92 -8.200 1.975 -5.433 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.455 -0.606 -5.186 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.247 -1.008 -6.420 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -11.206 -1.775 -6.328 1.00 0.00 O ATOM 1455 ND2 ASN A 92 -9.854 -0.494 -7.589 1.00 0.00 N ATOM 0 H ASN A 92 -7.582 -0.372 -3.420 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.677 -1.141 -6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.572 -1.370 -4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.864 0.320 -4.781 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.354 -0.734 -8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.054 0.138 -7.625 1.00 0.00 H new ATOM 1462 N PHE A 93 -6.984 1.076 -7.098 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.653 2.352 -7.710 1.00 0.00 C ATOM 1464 C PHE A 93 -7.857 2.984 -8.393 1.00 0.00 C ATOM 1465 O PHE A 93 -8.853 2.317 -8.672 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.529 2.161 -8.721 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.287 1.568 -8.122 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -3.459 2.328 -7.311 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -3.953 0.247 -8.362 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -2.323 1.780 -6.751 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -2.817 -0.306 -7.806 1.00 0.00 C ATOM 1472 CZ PHE A 93 -2.002 0.462 -6.999 1.00 0.00 C ATOM 0 H PHE A 93 -6.593 0.266 -7.580 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.330 3.027 -6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.880 1.516 -9.526 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.284 3.124 -9.168 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.706 3.361 -7.115 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.588 -0.358 -8.992 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.687 2.382 -6.120 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.566 -1.338 -8.002 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.113 0.031 -6.562 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.747 4.280 -8.662 1.00 0.00 N ATOM 1483 CA GLY A 94 -8.824 4.998 -9.318 1.00 0.00 C ATOM 1484 C GLY A 94 -8.483 5.362 -10.750 1.00 0.00 C ATOM 1485 O GLY A 94 -9.371 5.522 -11.587 1.00 0.00 O ATOM 0 H GLY A 94 -6.930 4.847 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.726 4.386 -9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.047 5.906 -8.758 1.00 0.00 H new ATOM 1489 N SER A 95 -7.189 5.493 -11.032 1.00 0.00 N ATOM 1490 CA SER A 95 -6.727 5.839 -12.371 1.00 0.00 C ATOM 1491 C SER A 95 -5.545 4.965 -12.779 1.00 0.00 C ATOM 1492 O SER A 95 -4.871 4.378 -11.932 1.00 0.00 O ATOM 1493 CB SER A 95 -6.330 7.316 -12.430 1.00 0.00 C ATOM 1494 OG SER A 95 -7.405 8.114 -12.892 1.00 0.00 O ATOM 0 H SER A 95 -6.442 5.364 -10.349 1.00 0.00 H new ATOM 0 HA SER A 95 -7.545 5.662 -13.069 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.022 7.653 -11.440 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.471 7.439 -13.090 1.00 0.00 H new ATOM 0 HG SER A 95 -7.127 9.053 -12.919 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.301 4.881 -14.083 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.201 4.077 -14.605 1.00 0.00 C ATOM 1502 C LYS A 96 -2.859 4.576 -14.080 1.00 0.00 C ATOM 1503 O LYS A 96 -1.978 3.783 -13.746 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.204 4.105 -16.135 1.00 0.00 C ATOM 1505 CG LYS A 96 -5.375 3.362 -16.754 1.00 0.00 C ATOM 1506 CD LYS A 96 -5.648 3.838 -18.172 1.00 0.00 C ATOM 1507 CE LYS A 96 -6.514 5.088 -18.183 1.00 0.00 C ATOM 1508 NZ LYS A 96 -6.780 5.573 -19.567 1.00 0.00 N ATOM 0 H LYS A 96 -5.850 5.359 -14.797 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.343 3.051 -14.264 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.224 5.142 -16.471 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.274 3.669 -16.500 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.166 2.292 -16.762 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.265 3.508 -16.142 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.704 4.044 -18.676 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.143 3.046 -18.734 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.460 4.877 -17.685 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.021 5.875 -17.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.373 6.426 -19.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.879 5.799 -20.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.273 4.833 -20.105 1.00 0.00 H new ATOM 1522 N GLU A 97 -2.707 5.894 -14.014 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.469 6.498 -13.534 1.00 0.00 C ATOM 1524 C GLU A 97 -1.183 6.092 -12.094 1.00 0.00 C ATOM 1525 O GLU A 97 -0.052 5.749 -11.751 1.00 0.00 O ATOM 1526 CB GLU A 97 -1.543 8.022 -13.642 1.00 0.00 C ATOM 1527 CG GLU A 97 -1.377 8.541 -15.061 1.00 0.00 C ATOM 1528 CD GLU A 97 -1.128 10.036 -15.109 1.00 0.00 C ATOM 1529 OE1 GLU A 97 -0.100 10.484 -14.558 1.00 0.00 O ATOM 1530 OE2 GLU A 97 -1.960 10.758 -15.698 1.00 0.00 O ATOM 0 H GLU A 97 -3.425 6.565 -14.287 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.654 6.135 -14.161 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.503 8.359 -13.251 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.770 8.460 -13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.546 8.022 -15.539 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.272 8.307 -15.637 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.212 6.127 -11.253 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.062 5.757 -9.850 1.00 0.00 C ATOM 1539 C ASP A 98 -1.394 4.393 -9.727 1.00 0.00 C ATOM 1540 O ASP A 98 -0.256 4.283 -9.271 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.425 5.739 -9.154 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.177 7.046 -9.322 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.523 8.080 -9.571 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.421 7.035 -9.203 1.00 0.00 O ATOM 0 H ASP A 98 -3.156 6.407 -11.518 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.430 6.501 -9.365 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.025 4.923 -9.557 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.285 5.537 -8.092 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.108 3.353 -10.146 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.588 1.993 -10.091 1.00 0.00 C ATOM 1551 C ALA A 99 -0.167 1.909 -10.646 1.00 0.00 C ATOM 1552 O ALA A 99 0.634 1.084 -10.202 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.509 1.051 -10.851 1.00 0.00 C ATOM 0 H ALA A 99 -3.051 3.428 -10.528 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.550 1.692 -9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.112 0.037 -10.804 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.502 1.073 -10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.574 1.367 -11.892 1.00 0.00 H new ATOM 1559 N ALA A 100 0.142 2.764 -11.617 1.00 0.00 N ATOM 1560 CA ALA A 100 1.467 2.776 -12.226 1.00 0.00 C ATOM 1561 C ALA A 100 2.492 3.450 -11.316 1.00 0.00 C ATOM 1562 O ALA A 100 3.650 3.037 -11.257 1.00 0.00 O ATOM 1563 CB ALA A 100 1.418 3.473 -13.576 1.00 0.00 C ATOM 0 H ALA A 100 -0.505 3.455 -11.997 1.00 0.00 H new ATOM 0 HA ALA A 100 1.780 1.742 -12.371 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.413 3.475 -14.021 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.728 2.944 -14.234 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.077 4.500 -13.443 1.00 0.00 H new ATOM 1569 N GLN A 101 2.060 4.491 -10.612 1.00 0.00 N ATOM 1570 CA GLN A 101 2.944 5.224 -9.711 1.00 0.00 C ATOM 1571 C GLN A 101 3.153 4.464 -8.403 1.00 0.00 C ATOM 1572 O GLN A 101 4.266 4.414 -7.875 1.00 0.00 O ATOM 1573 CB GLN A 101 2.370 6.614 -9.421 1.00 0.00 C ATOM 1574 CG GLN A 101 3.418 7.639 -9.016 1.00 0.00 C ATOM 1575 CD GLN A 101 4.592 7.688 -9.975 1.00 0.00 C ATOM 1576 OE1 GLN A 101 4.589 8.448 -10.943 1.00 0.00 O ATOM 1577 NE2 GLN A 101 5.605 6.871 -9.710 1.00 0.00 N ATOM 0 H GLN A 101 1.105 4.846 -10.647 1.00 0.00 H new ATOM 0 HA GLN A 101 3.911 5.330 -10.202 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.848 6.973 -10.308 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.629 6.532 -8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.955 8.625 -8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.781 7.405 -8.015 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.566 6.257 -8.896 1.00 0.00 H new ATOM 0 HE22 GLN A 101 6.422 6.857 -10.320 1.00 0.00 H new ATOM 1586 N PHE A 102 2.079 3.881 -7.881 1.00 0.00 N ATOM 1587 CA PHE A 102 2.145 3.132 -6.630 1.00 0.00 C ATOM 1588 C PHE A 102 3.185 2.019 -6.713 1.00 0.00 C ATOM 1589 O PHE A 102 4.048 1.899 -5.843 1.00 0.00 O ATOM 1590 CB PHE A 102 0.770 2.551 -6.284 1.00 0.00 C ATOM 1591 CG PHE A 102 0.610 2.199 -4.832 1.00 0.00 C ATOM 1592 CD1 PHE A 102 0.858 3.146 -3.852 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.207 0.928 -4.445 1.00 0.00 C ATOM 1594 CE1 PHE A 102 0.709 2.836 -2.514 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.056 0.613 -3.108 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.307 1.568 -2.142 1.00 0.00 C ATOM 0 H PHE A 102 1.152 3.912 -8.305 1.00 0.00 H new ATOM 0 HA PHE A 102 2.446 3.819 -5.839 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.001 3.272 -6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.601 1.658 -6.886 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.172 4.139 -4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.010 0.178 -5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.906 3.584 -1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.258 -0.379 -2.819 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.189 1.323 -1.097 1.00 0.00 H new ATOM 1606 N ALA A 103 3.103 1.212 -7.764 1.00 0.00 N ATOM 1607 CA ALA A 103 4.045 0.117 -7.957 1.00 0.00 C ATOM 1608 C ALA A 103 5.453 0.648 -8.195 1.00 0.00 C ATOM 1609 O ALA A 103 6.441 0.023 -7.808 1.00 0.00 O ATOM 1610 CB ALA A 103 3.607 -0.753 -9.123 1.00 0.00 C ATOM 0 H ALA A 103 2.395 1.295 -8.494 1.00 0.00 H new ATOM 0 HA ALA A 103 4.057 -0.487 -7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.319 -1.567 -9.257 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.619 -1.165 -8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.569 -0.152 -10.031 1.00 0.00 H new ATOM 1616 N ALA A 104 5.536 1.808 -8.839 1.00 0.00 N ATOM 1617 CA ALA A 104 6.820 2.435 -9.140 1.00 0.00 C ATOM 1618 C ALA A 104 7.737 2.445 -7.921 1.00 0.00 C ATOM 1619 O ALA A 104 8.787 1.803 -7.916 1.00 0.00 O ATOM 1620 CB ALA A 104 6.602 3.855 -9.643 1.00 0.00 C ATOM 0 H ALA A 104 4.726 2.335 -9.164 1.00 0.00 H new ATOM 0 HA ALA A 104 7.306 1.847 -9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.565 4.314 -9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.994 3.831 -10.548 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.090 4.438 -8.877 1.00 0.00 H new ATOM 1626 N GLY A 105 7.329 3.173 -6.889 1.00 0.00 N ATOM 1627 CA GLY A 105 8.126 3.250 -5.679 1.00 0.00 C ATOM 1628 C GLY A 105 8.251 1.912 -4.994 1.00 0.00 C ATOM 1629 O GLY A 105 9.355 1.463 -4.685 1.00 0.00 O ATOM 0 H GLY A 105 6.462 3.711 -6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.120 3.625 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.674 3.967 -4.993 1.00 0.00 H new ATOM 1633 N MET A 106 7.112 1.269 -4.758 1.00 0.00 N ATOM 1634 CA MET A 106 7.090 -0.033 -4.108 1.00 0.00 C ATOM 1635 C MET A 106 8.127 -0.956 -4.730 1.00 0.00 C ATOM 1636 O MET A 106 9.060 -1.397 -4.062 1.00 0.00 O ATOM 1637 CB MET A 106 5.703 -0.655 -4.228 1.00 0.00 C ATOM 1638 CG MET A 106 5.633 -2.068 -3.685 1.00 0.00 C ATOM 1639 SD MET A 106 5.444 -2.110 -1.896 1.00 0.00 S ATOM 1640 CE MET A 106 5.421 -3.875 -1.633 1.00 0.00 C ATOM 0 H MET A 106 6.192 1.631 -5.008 1.00 0.00 H new ATOM 0 HA MET A 106 7.330 0.103 -3.053 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.985 -0.032 -3.695 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.404 -0.660 -5.276 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.796 -2.591 -4.148 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.539 -2.606 -3.964 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.434 -4.178 -1.284 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.647 -4.385 -2.569 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.168 -4.141 -0.885 1.00 0.00 H new ATOM 1650 N ALA A 107 7.954 -1.237 -6.015 1.00 0.00 N ATOM 1651 CA ALA A 107 8.878 -2.100 -6.743 1.00 0.00 C ATOM 1652 C ALA A 107 10.321 -1.718 -6.432 1.00 0.00 C ATOM 1653 O ALA A 107 11.205 -2.573 -6.379 1.00 0.00 O ATOM 1654 CB ALA A 107 8.616 -2.015 -8.239 1.00 0.00 C ATOM 0 H ALA A 107 7.181 -0.880 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 107 8.717 -3.129 -6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.313 -2.664 -8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.594 -2.333 -8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.752 -0.987 -8.574 1.00 0.00 H new ATOM 1660 N SER A 108 10.544 -0.425 -6.208 1.00 0.00 N ATOM 1661 CA SER A 108 11.873 0.073 -5.879 1.00 0.00 C ATOM 1662 C SER A 108 12.269 -0.378 -4.478 1.00 0.00 C ATOM 1663 O SER A 108 13.433 -0.677 -4.217 1.00 0.00 O ATOM 1664 CB SER A 108 11.910 1.600 -5.971 1.00 0.00 C ATOM 1665 OG SER A 108 13.184 2.055 -6.390 1.00 0.00 O ATOM 0 H SER A 108 9.822 0.294 -6.249 1.00 0.00 H new ATOM 0 HA SER A 108 12.585 -0.335 -6.597 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.149 1.944 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.667 2.032 -5.000 1.00 0.00 H new ATOM 0 HG SER A 108 13.181 3.034 -6.442 1.00 0.00 H new ATOM 1671 N ALA A 109 11.285 -0.435 -3.583 1.00 0.00 N ATOM 1672 CA ALA A 109 11.526 -0.865 -2.210 1.00 0.00 C ATOM 1673 C ALA A 109 11.822 -2.358 -2.157 1.00 0.00 C ATOM 1674 O ALA A 109 12.766 -2.795 -1.500 1.00 0.00 O ATOM 1675 CB ALA A 109 10.322 -0.545 -1.334 1.00 0.00 C ATOM 0 H ALA A 109 10.316 -0.189 -3.785 1.00 0.00 H new ATOM 0 HA ALA A 109 12.393 -0.323 -1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.518 -0.872 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.141 0.530 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.444 -1.063 -1.719 1.00 0.00 H new ATOM 1681 N LEU A 110 11.003 -3.131 -2.861 1.00 0.00 N ATOM 1682 CA LEU A 110 11.160 -4.580 -2.908 1.00 0.00 C ATOM 1683 C LEU A 110 12.436 -4.960 -3.647 1.00 0.00 C ATOM 1684 O LEU A 110 13.094 -5.944 -3.312 1.00 0.00 O ATOM 1685 CB LEU A 110 9.948 -5.227 -3.590 1.00 0.00 C ATOM 1686 CG LEU A 110 8.607 -4.531 -3.337 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.489 -5.225 -4.099 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.298 -4.496 -1.847 1.00 0.00 C ATOM 0 H LEU A 110 10.220 -2.776 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 110 11.228 -4.948 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.128 -5.254 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.871 -6.261 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 110 8.680 -3.505 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.545 -4.715 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.704 -5.196 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.415 -6.262 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.342 -3.998 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.246 -5.514 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.084 -3.950 -1.325 1.00 0.00 H new ATOM 1700 N GLU A 111 12.780 -4.167 -4.655 1.00 0.00 N ATOM 1701 CA GLU A 111 13.980 -4.408 -5.449 1.00 0.00 C ATOM 1702 C GLU A 111 15.234 -3.999 -4.689 1.00 0.00 C ATOM 1703 O GLU A 111 16.334 -4.467 -4.985 1.00 0.00 O ATOM 1704 CB GLU A 111 13.903 -3.634 -6.757 1.00 0.00 C ATOM 1705 CG GLU A 111 13.121 -4.360 -7.832 1.00 0.00 C ATOM 1706 CD GLU A 111 13.481 -3.901 -9.231 1.00 0.00 C ATOM 1707 OE1 GLU A 111 14.685 -3.706 -9.502 1.00 0.00 O ATOM 1708 OE2 GLU A 111 12.558 -3.737 -10.058 1.00 0.00 O ATOM 0 H GLU A 111 12.243 -3.349 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 111 14.036 -5.476 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.441 -2.664 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.913 -3.441 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.304 -5.431 -7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.055 -4.205 -7.667 1.00 0.00 H new ATOM 1715 N ALA A 112 15.054 -3.148 -3.692 1.00 0.00 N ATOM 1716 CA ALA A 112 16.160 -2.692 -2.865 1.00 0.00 C ATOM 1717 C ALA A 112 16.090 -3.383 -1.519 1.00 0.00 C ATOM 1718 O ALA A 112 16.891 -3.126 -0.619 1.00 0.00 O ATOM 1719 CB ALA A 112 16.118 -1.181 -2.694 1.00 0.00 C ATOM 0 H ALA A 112 14.148 -2.757 -3.435 1.00 0.00 H new ATOM 0 HA ALA A 112 17.101 -2.944 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.954 -0.862 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.189 -0.702 -3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.181 -0.895 -2.217 1.00 0.00 H new ATOM 1725 N LEU A 113 15.109 -4.267 -1.400 1.00 0.00 N ATOM 1726 CA LEU A 113 14.887 -5.018 -0.191 1.00 0.00 C ATOM 1727 C LEU A 113 15.466 -6.420 -0.336 1.00 0.00 C ATOM 1728 O LEU A 113 16.045 -6.969 0.601 1.00 0.00 O ATOM 1729 CB LEU A 113 13.385 -5.076 0.077 1.00 0.00 C ATOM 1730 CG LEU A 113 12.868 -4.061 1.100 1.00 0.00 C ATOM 1731 CD1 LEU A 113 11.383 -4.271 1.358 1.00 0.00 C ATOM 1732 CD2 LEU A 113 13.659 -4.155 2.396 1.00 0.00 C ATOM 0 H LEU A 113 14.447 -4.478 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 113 15.385 -4.534 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.858 -4.921 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.132 -6.078 0.423 1.00 0.00 H new ATOM 0 HG LEU A 113 13.005 -3.060 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.034 -3.540 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.831 -4.146 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.220 -5.277 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 113 13.276 -3.426 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 113 13.558 -5.157 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.711 -3.949 2.196 1.00 0.00 H new ATOM 1744 N GLU A 114 15.318 -6.983 -1.531 1.00 0.00 N ATOM 1745 CA GLU A 114 15.832 -8.315 -1.824 1.00 0.00 C ATOM 1746 C GLU A 114 17.084 -8.230 -2.693 1.00 0.00 C ATOM 1747 O GLU A 114 17.967 -9.083 -2.608 1.00 0.00 O ATOM 1748 CB GLU A 114 14.768 -9.162 -2.529 1.00 0.00 C ATOM 1749 CG GLU A 114 13.345 -8.868 -2.078 1.00 0.00 C ATOM 1750 CD GLU A 114 12.304 -9.504 -2.977 1.00 0.00 C ATOM 1751 OE1 GLU A 114 11.917 -10.662 -2.712 1.00 0.00 O ATOM 1752 OE2 GLU A 114 11.873 -8.844 -3.947 1.00 0.00 O ATOM 0 H GLU A 114 14.844 -6.534 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 114 16.091 -8.791 -0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.839 -8.996 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.983 -10.216 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.209 -9.230 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 114 13.190 -7.789 -2.056 1.00 0.00 H new ATOM 1759 N GLY A 115 17.151 -7.197 -3.528 1.00 0.00 N ATOM 1760 CA GLY A 115 18.299 -7.024 -4.400 1.00 0.00 C ATOM 1761 C GLY A 115 19.577 -6.752 -3.631 1.00 0.00 C ATOM 1762 O GLY A 115 20.410 -5.964 -4.123 1.00 0.00 O ATOM 1763 OXT GLY A 115 19.744 -7.328 -2.535 1.00 0.00 O ATOM 0 H GLY A 115 16.433 -6.478 -3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 115 18.428 -7.920 -5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 115 18.109 -6.199 -5.086 1.00 0.00 H new